USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 630 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 369 ASN : amide:sc= -1.67 K(o=-1.7,f=-3.9!) USER MOD Set 1.2: A 371 LYS NZ :NH3+ -164:sc=-0.00284 (180deg=-0.228) USER MOD Single : A 368 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 373 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.16) USER MOD Single : A 375 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 380 TYR OH : rot 123:sc= -2.3 USER MOD Single : A 382 SER OG : rot 180:sc= 0 USER MOD Single : A 386 HIS : no HD1:sc= -5.52! C(o=-5.5!,f=-5.5!) USER MOD Single : A 387 TYR OH : rot 150:sc= -4.58! USER MOD Single : A 389 THR OG1 : rot 130:sc= -2.79! USER MOD Single : A 391 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.712) USER MOD Single : A 392 LYS NZ :NH3+ -153:sc= -0.046 (180deg=-0.752) USER MOD Single : A 394 THR OG1 : rot 126:sc= -0.932 USER MOD Single : A 399 ASN : amide:sc= -0.0309 K(o=-0.031,f=-1.4!) USER MOD Single : A 400 SER OG : rot 1:sc= -0.471 USER MOD Single : A 404 CYS SG : rot -86:sc= -3.77 USER MOD Single : A 410 THR OG1 : rot 180:sc= 0 USER MOD Single : A 414 THR OG1 : rot -26:sc= 0.661 USER MOD Single : A 419 ASN : amide:sc= -1.81! C(o=-1.8!,f=-3.1!) USER MOD Single : A 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN : amide:sc= -1.14 K(o=-1.1,f=-6.6!) USER MOD Single : A 435 LYS NZ :NH3+ -149:sc= 1.18 (180deg=-0.29) USER MOD Single : A 436 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 437 MET CE :methyl -166:sc= -0.0108 (180deg=-0.31) USER MOD Single : A 441 TYR OH : rot 117:sc= -1.87! USER MOD Single : A 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 444 GLN : amide:sc= -0.489 X(o=-0.49,f=0) USER MOD ----------------------------------------------------------------- ATOM 40 N ASP A 367 -7.937 -6.866 6.644 1.00 0.00 N ATOM 41 CA ASP A 367 -9.095 -6.094 6.201 1.00 0.00 C ATOM 42 C ASP A 367 -9.665 -6.673 4.911 1.00 0.00 C ATOM 43 O ASP A 367 -9.274 -7.759 4.482 1.00 0.00 O ATOM 44 CB ASP A 367 -8.716 -4.625 5.988 1.00 0.00 C ATOM 45 CG ASP A 367 -8.398 -3.911 7.287 1.00 0.00 C ATOM 46 OD1 ASP A 367 -7.644 -4.476 8.106 1.00 0.00 O ATOM 47 OD2 ASP A 367 -8.902 -2.785 7.482 1.00 0.00 O ATOM 0 HA ASP A 367 -9.856 -6.152 6.979 1.00 0.00 H new ATOM 0 HB2 ASP A 367 -7.852 -4.569 5.326 1.00 0.00 H new ATOM 0 HB3 ASP A 367 -9.536 -4.111 5.486 1.00 0.00 H new ATOM 52 N MET A 368 -10.594 -5.948 4.296 1.00 0.00 N ATOM 53 CA MET A 368 -11.217 -6.400 3.059 1.00 0.00 C ATOM 54 C MET A 368 -10.812 -5.527 1.874 1.00 0.00 C ATOM 55 O MET A 368 -10.566 -6.030 0.778 1.00 0.00 O ATOM 56 CB MET A 368 -12.741 -6.402 3.204 1.00 0.00 C ATOM 57 CG MET A 368 -13.244 -7.257 4.357 1.00 0.00 C ATOM 58 SD MET A 368 -14.995 -7.662 4.205 1.00 0.00 S ATOM 59 CE MET A 368 -14.973 -9.418 4.560 1.00 0.00 C ATOM 0 H MET A 368 -10.931 -5.047 4.634 1.00 0.00 H new ATOM 0 HA MET A 368 -10.868 -7.415 2.866 1.00 0.00 H new ATOM 0 HB2 MET A 368 -13.085 -5.377 3.346 1.00 0.00 H new ATOM 0 HB3 MET A 368 -13.185 -6.762 2.276 1.00 0.00 H new ATOM 0 HG2 MET A 368 -12.664 -8.179 4.401 1.00 0.00 H new ATOM 0 HG3 MET A 368 -13.077 -6.729 5.296 1.00 0.00 H new ATOM 0 HE1 MET A 368 -15.987 -9.813 4.504 1.00 0.00 H new ATOM 0 HE2 MET A 368 -14.344 -9.929 3.831 1.00 0.00 H new ATOM 0 HE3 MET A 368 -14.574 -9.582 5.561 1.00 0.00 H new ATOM 69 N ASN A 369 -10.757 -4.216 2.093 1.00 0.00 N ATOM 70 CA ASN A 369 -10.396 -3.285 1.028 1.00 0.00 C ATOM 71 C ASN A 369 -9.231 -2.383 1.428 1.00 0.00 C ATOM 72 O ASN A 369 -9.428 -1.222 1.788 1.00 0.00 O ATOM 73 CB ASN A 369 -11.606 -2.429 0.662 1.00 0.00 C ATOM 74 CG ASN A 369 -12.300 -2.910 -0.598 1.00 0.00 C ATOM 75 OD1 ASN A 369 -11.672 -3.073 -1.644 1.00 0.00 O ATOM 76 ND2 ASN A 369 -13.605 -3.139 -0.502 1.00 0.00 N ATOM 0 H ASN A 369 -10.956 -3.777 2.992 1.00 0.00 H new ATOM 0 HA ASN A 369 -10.079 -3.873 0.167 1.00 0.00 H new ATOM 0 HB2 ASN A 369 -12.316 -2.437 1.489 1.00 0.00 H new ATOM 0 HB3 ASN A 369 -11.288 -1.396 0.525 1.00 0.00 H new ATOM 0 HD21 ASN A 369 -14.127 -3.464 -1.316 1.00 0.00 H new ATOM 0 HD22 ASN A 369 -14.085 -2.990 0.386 1.00 0.00 H new ATOM 83 N ALA A 370 -8.020 -2.916 1.335 1.00 0.00 N ATOM 84 CA ALA A 370 -6.818 -2.152 1.656 1.00 0.00 C ATOM 85 C ALA A 370 -6.398 -1.307 0.467 1.00 0.00 C ATOM 86 O ALA A 370 -6.307 -0.087 0.558 1.00 0.00 O ATOM 87 CB ALA A 370 -5.678 -3.053 2.081 1.00 0.00 C ATOM 0 H ALA A 370 -7.842 -3.876 1.040 1.00 0.00 H new ATOM 0 HA ALA A 370 -7.058 -1.499 2.495 1.00 0.00 H new ATOM 0 HB1 ALA A 370 -4.802 -2.447 2.311 1.00 0.00 H new ATOM 0 HB2 ALA A 370 -5.971 -3.618 2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 370 -5.439 -3.744 1.272 1.00 0.00 H new ATOM 93 N LYS A 371 -6.156 -1.972 -0.655 1.00 0.00 N ATOM 94 CA LYS A 371 -5.767 -1.281 -1.875 1.00 0.00 C ATOM 95 C LYS A 371 -6.859 -0.288 -2.253 1.00 0.00 C ATOM 96 O LYS A 371 -6.610 0.718 -2.908 1.00 0.00 O ATOM 97 CB LYS A 371 -5.548 -2.285 -3.010 1.00 0.00 C ATOM 98 CG LYS A 371 -6.817 -2.999 -3.447 1.00 0.00 C ATOM 99 CD LYS A 371 -7.005 -4.315 -2.704 1.00 0.00 C ATOM 100 CE LYS A 371 -8.035 -5.202 -3.389 1.00 0.00 C ATOM 101 NZ LYS A 371 -9.258 -4.444 -3.772 1.00 0.00 N ATOM 0 H LYS A 371 -6.222 -2.986 -0.745 1.00 0.00 H new ATOM 0 HA LYS A 371 -4.831 -0.748 -1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 371 -5.121 -1.764 -3.867 1.00 0.00 H new ATOM 0 HB3 LYS A 371 -4.816 -3.027 -2.691 1.00 0.00 H new ATOM 0 HG2 LYS A 371 -7.678 -2.354 -3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 371 -6.777 -3.189 -4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 371 -6.052 -4.841 -2.647 1.00 0.00 H new ATOM 0 HD3 LYS A 371 -7.320 -4.114 -1.680 1.00 0.00 H new ATOM 0 HE2 LYS A 371 -7.593 -5.650 -4.279 1.00 0.00 H new ATOM 0 HE3 LYS A 371 -8.309 -6.020 -2.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 371 -10.028 -5.111 -3.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 371 -9.541 -3.822 -2.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 371 -9.060 -3.869 -4.616 1.00 0.00 H new ATOM 115 N ARG A 372 -8.067 -0.590 -1.794 1.00 0.00 N ATOM 116 CA ARG A 372 -9.219 0.267 -2.043 1.00 0.00 C ATOM 117 C ARG A 372 -9.245 1.415 -1.041 1.00 0.00 C ATOM 118 O ARG A 372 -9.215 2.585 -1.424 1.00 0.00 O ATOM 119 CB ARG A 372 -10.525 -0.528 -1.970 1.00 0.00 C ATOM 120 CG ARG A 372 -11.769 0.348 -1.834 1.00 0.00 C ATOM 121 CD ARG A 372 -12.570 0.394 -3.126 1.00 0.00 C ATOM 122 NE ARG A 372 -13.960 0.780 -2.892 1.00 0.00 N ATOM 123 CZ ARG A 372 -14.789 1.180 -3.853 1.00 0.00 C ATOM 124 NH1 ARG A 372 -14.372 1.243 -5.110 1.00 0.00 N ATOM 125 NH2 ARG A 372 -16.037 1.517 -3.556 1.00 0.00 N ATOM 0 H ARG A 372 -8.275 -1.425 -1.246 1.00 0.00 H new ATOM 0 HA ARG A 372 -9.127 0.674 -3.050 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -10.618 -1.140 -2.867 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -10.478 -1.211 -1.122 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -12.397 -0.035 -1.030 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -11.473 1.359 -1.553 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -12.108 1.101 -3.815 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -12.541 -0.584 -3.606 1.00 0.00 H new ATOM 0 HE ARG A 372 -14.315 0.741 -1.937 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -13.413 0.984 -5.343 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -15.010 1.550 -5.844 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -16.362 1.470 -2.590 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -16.672 1.824 -4.293 1.00 0.00 H new ATOM 139 N GLN A 373 -9.301 1.076 0.245 1.00 0.00 N ATOM 140 CA GLN A 373 -9.327 2.084 1.296 1.00 0.00 C ATOM 141 C GLN A 373 -8.122 3.007 1.168 1.00 0.00 C ATOM 142 O GLN A 373 -8.227 4.224 1.329 1.00 0.00 O ATOM 143 CB GLN A 373 -9.336 1.392 2.661 1.00 0.00 C ATOM 144 CG GLN A 373 -9.434 2.341 3.840 1.00 0.00 C ATOM 145 CD GLN A 373 -10.477 1.903 4.850 1.00 0.00 C ATOM 146 OE1 GLN A 373 -10.242 1.941 6.058 1.00 0.00 O ATOM 147 NE2 GLN A 373 -11.636 1.480 4.358 1.00 0.00 N ATOM 0 H GLN A 373 -9.329 0.113 0.581 1.00 0.00 H new ATOM 0 HA GLN A 373 -10.229 2.689 1.199 1.00 0.00 H new ATOM 0 HB2 GLN A 373 -10.175 0.697 2.698 1.00 0.00 H new ATOM 0 HB3 GLN A 373 -8.427 0.799 2.761 1.00 0.00 H new ATOM 0 HG2 GLN A 373 -8.463 2.408 4.331 1.00 0.00 H new ATOM 0 HG3 GLN A 373 -9.679 3.340 3.479 1.00 0.00 H new ATOM 0 HE21 GLN A 373 -11.787 1.466 3.349 1.00 0.00 H new ATOM 0 HE22 GLN A 373 -12.375 1.170 4.989 1.00 0.00 H new ATOM 156 N LEU A 374 -6.987 2.404 0.859 1.00 0.00 N ATOM 157 CA LEU A 374 -5.738 3.118 0.681 1.00 0.00 C ATOM 158 C LEU A 374 -5.822 4.033 -0.539 1.00 0.00 C ATOM 159 O LEU A 374 -5.736 5.254 -0.409 1.00 0.00 O ATOM 160 CB LEU A 374 -4.591 2.111 0.536 1.00 0.00 C ATOM 161 CG LEU A 374 -3.185 2.681 0.736 1.00 0.00 C ATOM 162 CD1 LEU A 374 -2.528 2.971 -0.604 1.00 0.00 C ATOM 163 CD2 LEU A 374 -3.233 3.936 1.595 1.00 0.00 C ATOM 0 H LEU A 374 -6.908 1.396 0.724 1.00 0.00 H new ATOM 0 HA LEU A 374 -5.547 3.742 1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 374 -4.744 1.307 1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 374 -4.646 1.665 -0.457 1.00 0.00 H new ATOM 0 HG LEU A 374 -2.584 1.935 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 374 -1.529 3.376 -0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 374 -2.456 2.049 -1.181 1.00 0.00 H new ATOM 0 HD13 LEU A 374 -3.127 3.697 -1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 374 -2.224 4.326 1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 374 -3.852 4.688 1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 374 -3.657 3.694 2.569 1.00 0.00 H new ATOM 175 N TYR A 375 -6.008 3.447 -1.724 1.00 0.00 N ATOM 176 CA TYR A 375 -6.120 4.247 -2.942 1.00 0.00 C ATOM 177 C TYR A 375 -7.056 5.407 -2.682 1.00 0.00 C ATOM 178 O TYR A 375 -6.866 6.516 -3.177 1.00 0.00 O ATOM 179 CB TYR A 375 -6.638 3.422 -4.113 1.00 0.00 C ATOM 180 CG TYR A 375 -6.148 3.913 -5.458 1.00 0.00 C ATOM 181 CD1 TYR A 375 -4.829 4.314 -5.635 1.00 0.00 C ATOM 182 CD2 TYR A 375 -7.004 3.977 -6.552 1.00 0.00 C ATOM 183 CE1 TYR A 375 -4.376 4.765 -6.861 1.00 0.00 C ATOM 184 CE2 TYR A 375 -6.559 4.427 -7.782 1.00 0.00 C ATOM 185 CZ TYR A 375 -5.245 4.820 -7.931 1.00 0.00 C ATOM 186 OH TYR A 375 -4.798 5.268 -9.153 1.00 0.00 O ATOM 0 H TYR A 375 -6.083 2.439 -1.864 1.00 0.00 H new ATOM 0 HA TYR A 375 -5.127 4.610 -3.208 1.00 0.00 H new ATOM 0 HB2 TYR A 375 -6.332 2.384 -3.980 1.00 0.00 H new ATOM 0 HB3 TYR A 375 -7.728 3.437 -4.104 1.00 0.00 H new ATOM 0 HD1 TYR A 375 -4.146 4.273 -4.800 1.00 0.00 H new ATOM 0 HD2 TYR A 375 -8.033 3.670 -6.439 1.00 0.00 H new ATOM 0 HE1 TYR A 375 -3.348 5.073 -6.980 1.00 0.00 H new ATOM 0 HE2 TYR A 375 -7.237 4.470 -8.622 1.00 0.00 H new ATOM 0 HH TYR A 375 -5.534 5.244 -9.800 1.00 0.00 H new ATOM 196 N SER A 376 -8.048 5.149 -1.853 1.00 0.00 N ATOM 197 CA SER A 376 -8.986 6.184 -1.478 1.00 0.00 C ATOM 198 C SER A 376 -8.241 7.201 -0.628 1.00 0.00 C ATOM 199 O SER A 376 -8.296 8.406 -0.868 1.00 0.00 O ATOM 200 CB SER A 376 -10.169 5.598 -0.702 1.00 0.00 C ATOM 201 OG SER A 376 -10.722 6.559 0.181 1.00 0.00 O ATOM 0 H SER A 376 -8.223 4.238 -1.430 1.00 0.00 H new ATOM 0 HA SER A 376 -9.391 6.660 -2.371 1.00 0.00 H new ATOM 0 HB2 SER A 376 -10.934 5.257 -1.400 1.00 0.00 H new ATOM 0 HB3 SER A 376 -9.842 4.725 -0.137 1.00 0.00 H new ATOM 0 HG SER A 376 -11.477 6.163 0.665 1.00 0.00 H new ATOM 207 N LEU A 377 -7.546 6.682 0.379 1.00 0.00 N ATOM 208 CA LEU A 377 -6.780 7.503 1.300 1.00 0.00 C ATOM 209 C LEU A 377 -5.539 8.107 0.635 1.00 0.00 C ATOM 210 O LEU A 377 -5.452 9.324 0.461 1.00 0.00 O ATOM 211 CB LEU A 377 -6.368 6.646 2.499 1.00 0.00 C ATOM 212 CG LEU A 377 -7.398 6.582 3.625 1.00 0.00 C ATOM 213 CD1 LEU A 377 -7.684 5.138 3.998 1.00 0.00 C ATOM 214 CD2 LEU A 377 -6.919 7.368 4.836 1.00 0.00 C ATOM 0 H LEU A 377 -7.500 5.682 0.576 1.00 0.00 H new ATOM 0 HA LEU A 377 -7.407 8.334 1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -6.167 5.633 2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -5.433 7.036 2.902 1.00 0.00 H new ATOM 0 HG LEU A 377 -8.324 7.036 3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -8.420 5.109 4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -8.074 4.608 3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -6.763 4.659 4.331 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -7.667 7.310 5.627 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -5.979 6.948 5.194 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -6.767 8.411 4.556 1.00 0.00 H new ATOM 226 N ILE A 378 -4.566 7.261 0.305 1.00 0.00 N ATOM 227 CA ILE A 378 -3.304 7.699 -0.296 1.00 0.00 C ATOM 228 C ILE A 378 -3.245 7.397 -1.799 1.00 0.00 C ATOM 229 O ILE A 378 -2.176 7.251 -2.378 1.00 0.00 O ATOM 230 CB ILE A 378 -2.136 6.976 0.419 1.00 0.00 C ATOM 231 CG1 ILE A 378 -2.074 7.388 1.885 1.00 0.00 C ATOM 232 CG2 ILE A 378 -0.799 7.242 -0.238 1.00 0.00 C ATOM 233 CD1 ILE A 378 -1.095 6.566 2.691 1.00 0.00 C ATOM 0 H ILE A 378 -4.628 6.253 0.446 1.00 0.00 H new ATOM 0 HA ILE A 378 -3.227 8.780 -0.175 1.00 0.00 H new ATOM 0 HB ILE A 378 -2.335 5.907 0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 378 -1.795 8.440 1.949 1.00 0.00 H new ATOM 0 HG13 ILE A 378 -3.067 7.294 2.325 1.00 0.00 H new ATOM 0 HG21 ILE A 378 -0.016 6.711 0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 378 -0.826 6.895 -1.271 1.00 0.00 H new ATOM 0 HG23 ILE A 378 -0.591 8.312 -0.220 1.00 0.00 H new ATOM 0 HD11 ILE A 378 -1.098 6.908 3.726 1.00 0.00 H new ATOM 0 HD12 ILE A 378 -1.386 5.516 2.655 1.00 0.00 H new ATOM 0 HD13 ILE A 378 -0.094 6.680 2.274 1.00 0.00 H new ATOM 245 N GLY A 379 -4.382 7.330 -2.457 1.00 0.00 N ATOM 246 CA GLY A 379 -4.339 7.064 -3.881 1.00 0.00 C ATOM 247 C GLY A 379 -4.478 8.321 -4.709 1.00 0.00 C ATOM 248 O GLY A 379 -5.567 8.886 -4.819 1.00 0.00 O ATOM 0 H GLY A 379 -5.311 7.450 -2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -3.398 6.573 -4.127 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -5.138 6.370 -4.142 1.00 0.00 H new ATOM 252 N TYR A 380 -3.369 8.761 -5.292 1.00 0.00 N ATOM 253 CA TYR A 380 -3.360 9.961 -6.115 1.00 0.00 C ATOM 254 C TYR A 380 -2.654 9.704 -7.444 1.00 0.00 C ATOM 255 O TYR A 380 -2.137 8.613 -7.682 1.00 0.00 O ATOM 256 CB TYR A 380 -2.683 11.108 -5.363 1.00 0.00 C ATOM 257 CG TYR A 380 -3.272 11.356 -3.992 1.00 0.00 C ATOM 258 CD1 TYR A 380 -4.388 12.168 -3.829 1.00 0.00 C ATOM 259 CD2 TYR A 380 -2.714 10.774 -2.859 1.00 0.00 C ATOM 260 CE1 TYR A 380 -4.929 12.396 -2.579 1.00 0.00 C ATOM 261 CE2 TYR A 380 -3.251 10.997 -1.604 1.00 0.00 C ATOM 262 CZ TYR A 380 -4.359 11.808 -1.470 1.00 0.00 C ATOM 263 OH TYR A 380 -4.895 12.034 -0.223 1.00 0.00 O ATOM 0 H TYR A 380 -2.462 8.302 -5.209 1.00 0.00 H new ATOM 0 HA TYR A 380 -4.392 10.240 -6.329 1.00 0.00 H new ATOM 0 HB2 TYR A 380 -1.620 10.888 -5.260 1.00 0.00 H new ATOM 0 HB3 TYR A 380 -2.764 12.019 -5.956 1.00 0.00 H new ATOM 0 HD1 TYR A 380 -4.840 12.629 -4.695 1.00 0.00 H new ATOM 0 HD2 TYR A 380 -1.847 10.138 -2.961 1.00 0.00 H new ATOM 0 HE1 TYR A 380 -5.795 13.032 -2.471 1.00 0.00 H new ATOM 0 HE2 TYR A 380 -2.805 10.539 -0.734 1.00 0.00 H new ATOM 0 HH TYR A 380 -5.141 11.179 0.187 1.00 0.00 H new ATOM 273 N ALA A 381 -2.648 10.712 -8.309 1.00 0.00 N ATOM 274 CA ALA A 381 -2.021 10.595 -9.620 1.00 0.00 C ATOM 275 C ALA A 381 -0.500 10.671 -9.528 1.00 0.00 C ATOM 276 O ALA A 381 0.209 10.008 -10.285 1.00 0.00 O ATOM 277 CB ALA A 381 -2.537 11.673 -10.560 1.00 0.00 C ATOM 0 H ALA A 381 -3.071 11.622 -8.125 1.00 0.00 H new ATOM 0 HA ALA A 381 -2.287 9.616 -10.018 1.00 0.00 H new ATOM 0 HB1 ALA A 381 -2.057 11.568 -11.533 1.00 0.00 H new ATOM 0 HB2 ALA A 381 -3.616 11.569 -10.675 1.00 0.00 H new ATOM 0 HB3 ALA A 381 -2.309 12.656 -10.147 1.00 0.00 H new ATOM 283 N SER A 382 -0.003 11.489 -8.608 1.00 0.00 N ATOM 284 CA SER A 382 1.436 11.654 -8.436 1.00 0.00 C ATOM 285 C SER A 382 1.999 10.655 -7.431 1.00 0.00 C ATOM 286 O SER A 382 3.207 10.418 -7.391 1.00 0.00 O ATOM 287 CB SER A 382 1.754 13.080 -7.985 1.00 0.00 C ATOM 288 OG SER A 382 1.516 14.009 -9.029 1.00 0.00 O ATOM 0 H SER A 382 -0.572 12.047 -7.971 1.00 0.00 H new ATOM 0 HA SER A 382 1.908 11.465 -9.400 1.00 0.00 H new ATOM 0 HB2 SER A 382 1.143 13.336 -7.119 1.00 0.00 H new ATOM 0 HB3 SER A 382 2.795 13.141 -7.669 1.00 0.00 H new ATOM 0 HG SER A 382 1.725 14.914 -8.716 1.00 0.00 H new ATOM 294 N LEU A 383 1.125 10.072 -6.619 1.00 0.00 N ATOM 295 CA LEU A 383 1.554 9.104 -5.618 1.00 0.00 C ATOM 296 C LEU A 383 1.208 7.679 -6.043 1.00 0.00 C ATOM 297 O LEU A 383 0.749 6.873 -5.236 1.00 0.00 O ATOM 298 CB LEU A 383 0.923 9.417 -4.256 1.00 0.00 C ATOM 299 CG LEU A 383 1.822 9.191 -3.030 1.00 0.00 C ATOM 300 CD1 LEU A 383 1.110 8.330 -2.004 1.00 0.00 C ATOM 301 CD2 LEU A 383 3.151 8.556 -3.415 1.00 0.00 C ATOM 0 H LEU A 383 0.121 10.251 -6.634 1.00 0.00 H new ATOM 0 HA LEU A 383 2.638 9.179 -5.528 1.00 0.00 H new ATOM 0 HB2 LEU A 383 0.600 10.458 -4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 383 0.028 8.805 -4.143 1.00 0.00 H new ATOM 0 HG LEU A 383 2.033 10.167 -2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 383 1.760 8.179 -1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 383 0.194 8.827 -1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 383 0.864 7.365 -2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 383 3.758 8.412 -2.521 1.00 0.00 H new ATOM 0 HD22 LEU A 383 2.970 7.591 -3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 383 3.678 9.209 -4.111 1.00 0.00 H new ATOM 313 N ARG A 384 1.423 7.387 -7.318 1.00 0.00 N ATOM 314 CA ARG A 384 1.134 6.069 -7.874 1.00 0.00 C ATOM 315 C ARG A 384 1.597 4.941 -6.959 1.00 0.00 C ATOM 316 O ARG A 384 2.687 4.399 -7.141 1.00 0.00 O ATOM 317 CB ARG A 384 1.815 5.912 -9.232 1.00 0.00 C ATOM 318 CG ARG A 384 1.031 5.057 -10.214 1.00 0.00 C ATOM 319 CD ARG A 384 1.406 3.587 -10.095 1.00 0.00 C ATOM 320 NE ARG A 384 0.991 2.818 -11.266 1.00 0.00 N ATOM 321 CZ ARG A 384 -0.219 2.288 -11.409 1.00 0.00 C ATOM 322 NH1 ARG A 384 -1.130 2.442 -10.457 1.00 0.00 N ATOM 323 NH2 ARG A 384 -0.521 1.604 -12.504 1.00 0.00 N ATOM 0 H ARG A 384 1.800 8.051 -7.994 1.00 0.00 H new ATOM 0 HA ARG A 384 0.051 6.000 -7.979 1.00 0.00 H new ATOM 0 HB2 ARG A 384 1.970 6.899 -9.667 1.00 0.00 H new ATOM 0 HB3 ARG A 384 2.800 5.470 -9.085 1.00 0.00 H new ATOM 0 HG2 ARG A 384 -0.037 5.177 -10.031 1.00 0.00 H new ATOM 0 HG3 ARG A 384 1.221 5.401 -11.231 1.00 0.00 H new ATOM 0 HD2 ARG A 384 2.485 3.498 -9.967 1.00 0.00 H new ATOM 0 HD3 ARG A 384 0.943 3.166 -9.203 1.00 0.00 H new ATOM 0 HE ARG A 384 1.668 2.680 -12.016 1.00 0.00 H new ATOM 0 HH11 ARG A 384 -0.902 2.968 -9.613 1.00 0.00 H new ATOM 0 HH12 ARG A 384 -2.058 2.034 -10.569 1.00 0.00 H new ATOM 0 HH21 ARG A 384 0.176 1.484 -13.239 1.00 0.00 H new ATOM 0 HH22 ARG A 384 -1.451 1.198 -12.612 1.00 0.00 H new ATOM 337 N LEU A 385 0.762 4.561 -5.996 1.00 0.00 N ATOM 338 CA LEU A 385 1.109 3.471 -5.102 1.00 0.00 C ATOM 339 C LEU A 385 1.017 2.147 -5.850 1.00 0.00 C ATOM 340 O LEU A 385 0.257 2.018 -6.810 1.00 0.00 O ATOM 341 CB LEU A 385 0.211 3.457 -3.863 1.00 0.00 C ATOM 342 CG LEU A 385 -1.285 3.632 -4.121 1.00 0.00 C ATOM 343 CD1 LEU A 385 -1.655 5.100 -4.076 1.00 0.00 C ATOM 344 CD2 LEU A 385 -1.688 3.021 -5.452 1.00 0.00 C ATOM 0 H LEU A 385 -0.147 4.988 -5.819 1.00 0.00 H new ATOM 0 HA LEU A 385 2.133 3.618 -4.759 1.00 0.00 H new ATOM 0 HB2 LEU A 385 0.362 2.513 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 385 0.539 4.250 -3.191 1.00 0.00 H new ATOM 0 HG LEU A 385 -1.829 3.108 -3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 385 -2.723 5.212 -4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 385 -1.413 5.506 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 385 -1.096 5.640 -4.840 1.00 0.00 H new ATOM 0 HD21 LEU A 385 -2.758 3.161 -5.608 1.00 0.00 H new ATOM 0 HD22 LEU A 385 -1.137 3.507 -6.257 1.00 0.00 H new ATOM 0 HD23 LEU A 385 -1.459 1.955 -5.448 1.00 0.00 H new ATOM 356 N HIS A 386 1.800 1.169 -5.418 1.00 0.00 N ATOM 357 CA HIS A 386 1.810 -0.139 -6.058 1.00 0.00 C ATOM 358 C HIS A 386 2.138 -1.220 -5.042 1.00 0.00 C ATOM 359 O HIS A 386 2.555 -0.924 -3.925 1.00 0.00 O ATOM 360 CB HIS A 386 2.826 -0.164 -7.204 1.00 0.00 C ATOM 361 CG HIS A 386 3.320 -1.537 -7.553 1.00 0.00 C ATOM 362 ND1 HIS A 386 4.433 -2.110 -6.969 1.00 0.00 N ATOM 363 CD2 HIS A 386 2.851 -2.450 -8.438 1.00 0.00 C ATOM 364 CE1 HIS A 386 4.626 -3.314 -7.481 1.00 0.00 C ATOM 365 NE2 HIS A 386 3.679 -3.543 -8.372 1.00 0.00 N ATOM 0 H HIS A 386 2.437 1.256 -4.626 1.00 0.00 H new ATOM 0 HA HIS A 386 0.818 -0.333 -6.467 1.00 0.00 H new ATOM 0 HB2 HIS A 386 2.372 0.283 -8.088 1.00 0.00 H new ATOM 0 HB3 HIS A 386 3.678 0.460 -6.934 1.00 0.00 H new ATOM 0 HD2 HIS A 386 1.987 -2.338 -9.076 1.00 0.00 H new ATOM 0 HE1 HIS A 386 5.422 -3.994 -7.216 1.00 0.00 H new ATOM 0 HE2 HIS A 386 3.579 -4.395 -8.923 1.00 0.00 H new ATOM 374 N TYR A 387 1.944 -2.471 -5.430 1.00 0.00 N ATOM 375 CA TYR A 387 2.215 -3.587 -4.540 1.00 0.00 C ATOM 376 C TYR A 387 3.261 -4.521 -5.135 1.00 0.00 C ATOM 377 O TYR A 387 3.061 -5.111 -6.197 1.00 0.00 O ATOM 378 CB TYR A 387 0.913 -4.327 -4.234 1.00 0.00 C ATOM 379 CG TYR A 387 -0.240 -3.382 -3.968 1.00 0.00 C ATOM 380 CD1 TYR A 387 -0.513 -2.932 -2.681 1.00 0.00 C ATOM 381 CD2 TYR A 387 -1.042 -2.923 -5.006 1.00 0.00 C ATOM 382 CE1 TYR A 387 -1.552 -2.055 -2.438 1.00 0.00 C ATOM 383 CE2 TYR A 387 -2.084 -2.046 -4.769 1.00 0.00 C ATOM 384 CZ TYR A 387 -2.334 -1.615 -3.483 1.00 0.00 C ATOM 385 OH TYR A 387 -3.369 -0.740 -3.244 1.00 0.00 O ATOM 0 H TYR A 387 1.601 -2.738 -6.353 1.00 0.00 H new ATOM 0 HA TYR A 387 2.624 -3.204 -3.605 1.00 0.00 H new ATOM 0 HB2 TYR A 387 0.661 -4.976 -5.073 1.00 0.00 H new ATOM 0 HB3 TYR A 387 1.059 -4.970 -3.366 1.00 0.00 H new ATOM 0 HD1 TYR A 387 0.097 -3.274 -1.858 1.00 0.00 H new ATOM 0 HD2 TYR A 387 -0.848 -3.257 -6.015 1.00 0.00 H new ATOM 0 HE1 TYR A 387 -1.751 -1.715 -1.432 1.00 0.00 H new ATOM 0 HE2 TYR A 387 -2.699 -1.700 -5.587 1.00 0.00 H new ATOM 0 HH TYR A 387 -3.506 -0.172 -4.031 1.00 0.00 H new ATOM 395 N VAL A 388 4.384 -4.632 -4.436 1.00 0.00 N ATOM 396 CA VAL A 388 5.492 -5.473 -4.866 1.00 0.00 C ATOM 397 C VAL A 388 5.602 -6.715 -3.994 1.00 0.00 C ATOM 398 O VAL A 388 5.675 -6.614 -2.772 1.00 0.00 O ATOM 399 CB VAL A 388 6.821 -4.703 -4.794 1.00 0.00 C ATOM 400 CG1 VAL A 388 6.959 -4.016 -3.443 1.00 0.00 C ATOM 401 CG2 VAL A 388 7.996 -5.633 -5.052 1.00 0.00 C ATOM 0 H VAL A 388 4.551 -4.142 -3.557 1.00 0.00 H new ATOM 0 HA VAL A 388 5.294 -5.768 -5.896 1.00 0.00 H new ATOM 0 HB VAL A 388 6.822 -3.938 -5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 388 7.904 -3.474 -3.405 1.00 0.00 H new ATOM 0 HG12 VAL A 388 6.134 -3.317 -3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 388 6.937 -4.764 -2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 388 8.926 -5.068 -4.996 1.00 0.00 H new ATOM 0 HG22 VAL A 388 8.006 -6.423 -4.301 1.00 0.00 H new ATOM 0 HG23 VAL A 388 7.899 -6.075 -6.043 1.00 0.00 H new ATOM 411 N THR A 389 5.611 -7.884 -4.622 1.00 0.00 N ATOM 412 CA THR A 389 5.708 -9.139 -3.886 1.00 0.00 C ATOM 413 C THR A 389 7.161 -9.541 -3.650 1.00 0.00 C ATOM 414 O THR A 389 7.916 -9.767 -4.596 1.00 0.00 O ATOM 415 CB THR A 389 4.991 -10.282 -4.627 1.00 0.00 C ATOM 416 OG1 THR A 389 3.623 -9.953 -4.896 1.00 0.00 O ATOM 417 CG2 THR A 389 5.027 -11.563 -3.808 1.00 0.00 C ATOM 0 H THR A 389 5.553 -7.990 -5.635 1.00 0.00 H new ATOM 0 HA THR A 389 5.223 -8.971 -2.925 1.00 0.00 H new ATOM 0 HB THR A 389 5.518 -10.429 -5.570 1.00 0.00 H new ATOM 0 HG1 THR A 389 3.426 -10.120 -5.841 1.00 0.00 H new ATOM 0 HG21 THR A 389 4.514 -12.357 -4.351 1.00 0.00 H new ATOM 0 HG22 THR A 389 6.063 -11.854 -3.633 1.00 0.00 H new ATOM 0 HG23 THR A 389 4.530 -11.398 -2.852 1.00 0.00 H new ATOM 425 N VAL A 390 7.539 -9.646 -2.379 1.00 0.00 N ATOM 426 CA VAL A 390 8.895 -10.043 -2.013 1.00 0.00 C ATOM 427 C VAL A 390 8.981 -11.556 -1.888 1.00 0.00 C ATOM 428 O VAL A 390 9.925 -12.182 -2.370 1.00 0.00 O ATOM 429 CB VAL A 390 9.355 -9.413 -0.681 1.00 0.00 C ATOM 430 CG1 VAL A 390 10.574 -8.536 -0.896 1.00 0.00 C ATOM 431 CG2 VAL A 390 8.234 -8.623 -0.028 1.00 0.00 C ATOM 0 H VAL A 390 6.925 -9.462 -1.585 1.00 0.00 H new ATOM 0 HA VAL A 390 9.551 -9.683 -2.806 1.00 0.00 H new ATOM 0 HB VAL A 390 9.628 -10.224 -0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 390 10.882 -8.102 0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 390 11.388 -9.137 -1.301 1.00 0.00 H new ATOM 0 HG13 VAL A 390 10.329 -7.738 -1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 390 8.590 -8.192 0.908 1.00 0.00 H new ATOM 0 HG22 VAL A 390 7.914 -7.824 -0.697 1.00 0.00 H new ATOM 0 HG23 VAL A 390 7.392 -9.285 0.174 1.00 0.00 H new ATOM 441 N LYS A 391 7.978 -12.134 -1.240 1.00 0.00 N ATOM 442 CA LYS A 391 7.916 -13.573 -1.049 1.00 0.00 C ATOM 443 C LYS A 391 6.515 -14.089 -1.359 1.00 0.00 C ATOM 444 O LYS A 391 5.539 -13.339 -1.317 1.00 0.00 O ATOM 445 CB LYS A 391 8.345 -13.943 0.386 1.00 0.00 C ATOM 446 CG LYS A 391 7.259 -14.570 1.252 1.00 0.00 C ATOM 447 CD LYS A 391 7.858 -15.471 2.321 1.00 0.00 C ATOM 448 CE LYS A 391 8.063 -16.887 1.804 1.00 0.00 C ATOM 449 NZ LYS A 391 8.946 -17.683 2.701 1.00 0.00 N ATOM 0 H LYS A 391 7.193 -11.623 -0.836 1.00 0.00 H new ATOM 0 HA LYS A 391 8.610 -14.051 -1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 391 9.185 -14.635 0.329 1.00 0.00 H new ATOM 0 HB3 LYS A 391 8.707 -13.043 0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 391 6.668 -13.785 1.724 1.00 0.00 H new ATOM 0 HG3 LYS A 391 6.579 -15.147 0.626 1.00 0.00 H new ATOM 0 HD2 LYS A 391 8.812 -15.061 2.651 1.00 0.00 H new ATOM 0 HD3 LYS A 391 7.202 -15.491 3.191 1.00 0.00 H new ATOM 0 HE2 LYS A 391 7.097 -17.383 1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 391 8.499 -16.849 0.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 391 9.374 -18.463 2.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 391 9.696 -17.072 3.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 391 8.385 -18.071 3.486 1.00 0.00 H new ATOM 463 N LYS A 392 6.429 -15.373 -1.665 1.00 0.00 N ATOM 464 CA LYS A 392 5.157 -16.008 -1.977 1.00 0.00 C ATOM 465 C LYS A 392 5.093 -17.394 -1.348 1.00 0.00 C ATOM 466 O LYS A 392 6.118 -17.948 -0.950 1.00 0.00 O ATOM 467 CB LYS A 392 4.969 -16.118 -3.493 1.00 0.00 C ATOM 468 CG LYS A 392 6.165 -15.630 -4.297 1.00 0.00 C ATOM 469 CD LYS A 392 7.355 -16.565 -4.146 1.00 0.00 C ATOM 470 CE LYS A 392 8.671 -15.802 -4.151 1.00 0.00 C ATOM 471 NZ LYS A 392 8.676 -14.703 -5.155 1.00 0.00 N ATOM 0 H LYS A 392 7.232 -16.001 -1.704 1.00 0.00 H new ATOM 0 HA LYS A 392 4.356 -15.392 -1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 392 4.770 -17.158 -3.751 1.00 0.00 H new ATOM 0 HB3 LYS A 392 4.089 -15.544 -3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 392 5.891 -15.554 -5.349 1.00 0.00 H new ATOM 0 HG3 LYS A 392 6.443 -14.629 -3.967 1.00 0.00 H new ATOM 0 HD2 LYS A 392 7.262 -17.125 -3.216 1.00 0.00 H new ATOM 0 HD3 LYS A 392 7.352 -17.292 -4.958 1.00 0.00 H new ATOM 0 HE2 LYS A 392 8.853 -15.388 -3.159 1.00 0.00 H new ATOM 0 HE3 LYS A 392 9.488 -16.491 -4.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 392 9.653 -14.515 -5.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 392 8.104 -14.982 -5.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 392 8.275 -13.843 -4.730 1.00 0.00 H new ATOM 485 N PRO A 393 3.893 -17.983 -1.257 1.00 0.00 N ATOM 486 CA PRO A 393 3.725 -19.316 -0.681 1.00 0.00 C ATOM 487 C PRO A 393 4.466 -20.367 -1.496 1.00 0.00 C ATOM 488 O PRO A 393 4.349 -20.410 -2.721 1.00 0.00 O ATOM 489 CB PRO A 393 2.214 -19.555 -0.743 1.00 0.00 C ATOM 490 CG PRO A 393 1.711 -18.603 -1.774 1.00 0.00 C ATOM 491 CD PRO A 393 2.620 -17.408 -1.716 1.00 0.00 C ATOM 0 HA PRO A 393 4.127 -19.384 0.330 1.00 0.00 H new ATOM 0 HB2 PRO A 393 1.989 -20.586 -1.016 1.00 0.00 H new ATOM 0 HB3 PRO A 393 1.746 -19.372 0.224 1.00 0.00 H new ATOM 0 HG2 PRO A 393 1.727 -19.057 -2.765 1.00 0.00 H new ATOM 0 HG3 PRO A 393 0.679 -18.318 -1.571 1.00 0.00 H new ATOM 0 HD2 PRO A 393 2.721 -16.930 -2.690 1.00 0.00 H new ATOM 0 HD3 PRO A 393 2.247 -16.650 -1.027 1.00 0.00 H new ATOM 499 N THR A 394 5.235 -21.208 -0.817 1.00 0.00 N ATOM 500 CA THR A 394 5.998 -22.251 -1.488 1.00 0.00 C ATOM 501 C THR A 394 5.947 -23.557 -0.704 1.00 0.00 C ATOM 502 O THR A 394 5.341 -23.625 0.365 1.00 0.00 O ATOM 503 CB THR A 394 7.473 -21.841 -1.682 1.00 0.00 C ATOM 504 OG1 THR A 394 8.291 -22.316 -0.605 1.00 0.00 O ATOM 505 CG2 THR A 394 7.624 -20.326 -1.764 1.00 0.00 C ATOM 0 H THR A 394 5.347 -21.188 0.197 1.00 0.00 H new ATOM 0 HA THR A 394 5.539 -22.395 -2.466 1.00 0.00 H new ATOM 0 HB THR A 394 7.799 -22.292 -2.619 1.00 0.00 H new ATOM 0 HG1 THR A 394 9.040 -22.834 -0.967 1.00 0.00 H new ATOM 0 HG21 THR A 394 8.675 -20.072 -1.901 1.00 0.00 H new ATOM 0 HG22 THR A 394 7.047 -19.948 -2.608 1.00 0.00 H new ATOM 0 HG23 THR A 394 7.258 -19.873 -0.842 1.00 0.00 H new ATOM 513 N ALA A 395 6.589 -24.590 -1.238 1.00 0.00 N ATOM 514 CA ALA A 395 6.614 -25.889 -0.580 1.00 0.00 C ATOM 515 C ALA A 395 7.313 -25.796 0.770 1.00 0.00 C ATOM 516 O ALA A 395 6.863 -26.378 1.757 1.00 0.00 O ATOM 517 CB ALA A 395 7.291 -26.933 -1.456 1.00 0.00 C ATOM 0 H ALA A 395 7.097 -24.553 -2.122 1.00 0.00 H new ATOM 0 HA ALA A 395 5.582 -26.200 -0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 395 7.296 -27.893 -0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 395 6.746 -27.028 -2.395 1.00 0.00 H new ATOM 0 HB3 ALA A 395 8.317 -26.626 -1.661 1.00 0.00 H new ATOM 523 N VAL A 396 8.414 -25.054 0.804 1.00 0.00 N ATOM 524 CA VAL A 396 9.180 -24.874 2.026 1.00 0.00 C ATOM 525 C VAL A 396 8.466 -23.930 2.989 1.00 0.00 C ATOM 526 O VAL A 396 8.474 -24.137 4.202 1.00 0.00 O ATOM 527 CB VAL A 396 10.590 -24.327 1.716 1.00 0.00 C ATOM 528 CG1 VAL A 396 11.111 -24.911 0.411 1.00 0.00 C ATOM 529 CG2 VAL A 396 10.593 -22.804 1.658 1.00 0.00 C ATOM 0 H VAL A 396 8.796 -24.566 -0.006 1.00 0.00 H new ATOM 0 HA VAL A 396 9.274 -25.852 2.499 1.00 0.00 H new ATOM 0 HB VAL A 396 11.253 -24.631 2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 396 12.106 -24.515 0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 396 11.162 -25.997 0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 396 10.439 -24.640 -0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 396 11.600 -22.450 1.438 1.00 0.00 H new ATOM 0 HG22 VAL A 396 9.912 -22.468 0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 396 10.269 -22.403 2.618 1.00 0.00 H new ATOM 539 N ASP A 397 7.857 -22.888 2.433 1.00 0.00 N ATOM 540 CA ASP A 397 7.144 -21.901 3.234 1.00 0.00 C ATOM 541 C ASP A 397 5.974 -21.309 2.455 1.00 0.00 C ATOM 542 O ASP A 397 6.167 -20.575 1.486 1.00 0.00 O ATOM 543 CB ASP A 397 8.094 -20.786 3.671 1.00 0.00 C ATOM 544 CG ASP A 397 9.125 -21.265 4.675 1.00 0.00 C ATOM 545 OD1 ASP A 397 8.730 -21.903 5.673 1.00 0.00 O ATOM 546 OD2 ASP A 397 10.328 -21.000 4.463 1.00 0.00 O ATOM 0 H ASP A 397 7.843 -22.706 1.430 1.00 0.00 H new ATOM 0 HA ASP A 397 6.752 -22.404 4.118 1.00 0.00 H new ATOM 0 HB2 ASP A 397 8.603 -20.383 2.796 1.00 0.00 H new ATOM 0 HB3 ASP A 397 7.517 -19.971 4.108 1.00 0.00 H new ATOM 551 N PRO A 398 4.739 -21.623 2.872 1.00 0.00 N ATOM 552 CA PRO A 398 3.529 -21.125 2.217 1.00 0.00 C ATOM 553 C PRO A 398 3.168 -19.712 2.666 1.00 0.00 C ATOM 554 O PRO A 398 2.005 -19.419 2.946 1.00 0.00 O ATOM 555 CB PRO A 398 2.467 -22.121 2.677 1.00 0.00 C ATOM 556 CG PRO A 398 2.917 -22.539 4.036 1.00 0.00 C ATOM 557 CD PRO A 398 4.425 -22.495 4.020 1.00 0.00 C ATOM 0 HA PRO A 398 3.638 -21.056 1.135 1.00 0.00 H new ATOM 0 HB2 PRO A 398 1.479 -21.662 2.709 1.00 0.00 H new ATOM 0 HB3 PRO A 398 2.401 -22.973 2.000 1.00 0.00 H new ATOM 0 HG2 PRO A 398 2.517 -21.871 4.799 1.00 0.00 H new ATOM 0 HG3 PRO A 398 2.561 -23.542 4.271 1.00 0.00 H new ATOM 0 HD2 PRO A 398 4.823 -22.090 4.950 1.00 0.00 H new ATOM 0 HD3 PRO A 398 4.853 -23.490 3.896 1.00 0.00 H new ATOM 565 N ASN A 399 4.170 -18.842 2.736 1.00 0.00 N ATOM 566 CA ASN A 399 3.954 -17.462 3.157 1.00 0.00 C ATOM 567 C ASN A 399 4.336 -16.478 2.055 1.00 0.00 C ATOM 568 O ASN A 399 5.141 -16.789 1.177 1.00 0.00 O ATOM 569 CB ASN A 399 4.757 -17.161 4.423 1.00 0.00 C ATOM 570 CG ASN A 399 4.728 -18.309 5.413 1.00 0.00 C ATOM 571 OD1 ASN A 399 5.718 -19.022 5.584 1.00 0.00 O ATOM 572 ND2 ASN A 399 3.589 -18.495 6.071 1.00 0.00 N ATOM 0 H ASN A 399 5.138 -19.067 2.507 1.00 0.00 H new ATOM 0 HA ASN A 399 2.891 -17.342 3.367 1.00 0.00 H new ATOM 0 HB2 ASN A 399 5.790 -16.945 4.152 1.00 0.00 H new ATOM 0 HB3 ASN A 399 4.358 -16.265 4.898 1.00 0.00 H new ATOM 0 HD21 ASN A 399 3.510 -19.253 6.749 1.00 0.00 H new ATOM 0 HD22 ASN A 399 2.794 -17.880 5.898 1.00 0.00 H new ATOM 579 N SER A 400 3.746 -15.289 2.114 1.00 0.00 N ATOM 580 CA SER A 400 4.012 -14.249 1.129 1.00 0.00 C ATOM 581 C SER A 400 4.317 -12.916 1.803 1.00 0.00 C ATOM 582 O SER A 400 3.944 -12.686 2.953 1.00 0.00 O ATOM 583 CB SER A 400 2.817 -14.090 0.187 1.00 0.00 C ATOM 584 OG SER A 400 3.196 -13.441 -1.015 1.00 0.00 O ATOM 0 H SER A 400 3.078 -15.022 2.837 1.00 0.00 H new ATOM 0 HA SER A 400 4.887 -14.552 0.553 1.00 0.00 H new ATOM 0 HB2 SER A 400 2.398 -15.070 -0.042 1.00 0.00 H new ATOM 0 HB3 SER A 400 2.034 -13.516 0.682 1.00 0.00 H new ATOM 0 HG SER A 400 4.155 -13.242 -0.991 1.00 0.00 H new ATOM 590 N ILE A 401 4.982 -12.036 1.065 1.00 0.00 N ATOM 591 CA ILE A 401 5.333 -10.710 1.561 1.00 0.00 C ATOM 592 C ILE A 401 5.176 -9.694 0.440 1.00 0.00 C ATOM 593 O ILE A 401 5.505 -9.989 -0.707 1.00 0.00 O ATOM 594 CB ILE A 401 6.788 -10.655 2.079 1.00 0.00 C ATOM 595 CG1 ILE A 401 7.010 -11.685 3.187 1.00 0.00 C ATOM 596 CG2 ILE A 401 7.117 -9.259 2.582 1.00 0.00 C ATOM 597 CD1 ILE A 401 8.412 -12.253 3.213 1.00 0.00 C ATOM 0 H ILE A 401 5.292 -12.219 0.111 1.00 0.00 H new ATOM 0 HA ILE A 401 4.665 -10.480 2.391 1.00 0.00 H new ATOM 0 HB ILE A 401 7.455 -10.896 1.251 1.00 0.00 H new ATOM 0 HG12 ILE A 401 6.797 -11.222 4.150 1.00 0.00 H new ATOM 0 HG13 ILE A 401 6.298 -12.501 3.061 1.00 0.00 H new ATOM 0 HG21 ILE A 401 8.145 -9.235 2.944 1.00 0.00 H new ATOM 0 HG22 ILE A 401 7.002 -8.543 1.769 1.00 0.00 H new ATOM 0 HG23 ILE A 401 6.440 -8.996 3.395 1.00 0.00 H new ATOM 0 HD11 ILE A 401 8.496 -12.976 4.024 1.00 0.00 H new ATOM 0 HD12 ILE A 401 8.623 -12.746 2.264 1.00 0.00 H new ATOM 0 HD13 ILE A 401 9.128 -11.447 3.370 1.00 0.00 H new ATOM 609 N VAL A 402 4.681 -8.499 0.748 1.00 0.00 N ATOM 610 CA VAL A 402 4.508 -7.475 -0.271 1.00 0.00 C ATOM 611 C VAL A 402 4.788 -6.093 0.309 1.00 0.00 C ATOM 612 O VAL A 402 4.584 -5.854 1.499 1.00 0.00 O ATOM 613 CB VAL A 402 3.086 -7.502 -0.867 1.00 0.00 C ATOM 614 CG1 VAL A 402 2.814 -6.242 -1.677 1.00 0.00 C ATOM 615 CG2 VAL A 402 2.888 -8.744 -1.723 1.00 0.00 C ATOM 0 H VAL A 402 4.396 -8.220 1.687 1.00 0.00 H new ATOM 0 HA VAL A 402 5.220 -7.688 -1.069 1.00 0.00 H new ATOM 0 HB VAL A 402 2.373 -7.535 -0.043 1.00 0.00 H new ATOM 0 HG11 VAL A 402 1.805 -6.284 -2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 402 2.908 -5.368 -1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 402 3.534 -6.171 -2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 402 1.879 -8.745 -2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 402 3.612 -8.744 -2.538 1.00 0.00 H new ATOM 0 HG23 VAL A 402 3.031 -9.634 -1.111 1.00 0.00 H new ATOM 625 N GLU A 403 5.260 -5.191 -0.539 1.00 0.00 N ATOM 626 CA GLU A 403 5.574 -3.832 -0.117 1.00 0.00 C ATOM 627 C GLU A 403 4.809 -2.820 -0.960 1.00 0.00 C ATOM 628 O GLU A 403 4.954 -2.785 -2.181 1.00 0.00 O ATOM 629 CB GLU A 403 7.079 -3.577 -0.232 1.00 0.00 C ATOM 630 CG GLU A 403 7.922 -4.828 -0.044 1.00 0.00 C ATOM 631 CD GLU A 403 8.553 -5.305 -1.338 1.00 0.00 C ATOM 632 OE1 GLU A 403 7.911 -6.104 -2.052 1.00 0.00 O ATOM 633 OE2 GLU A 403 9.688 -4.879 -1.637 1.00 0.00 O ATOM 0 H GLU A 403 5.435 -5.376 -1.527 1.00 0.00 H new ATOM 0 HA GLU A 403 5.273 -3.717 0.924 1.00 0.00 H new ATOM 0 HB2 GLU A 403 7.293 -3.148 -1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 403 7.372 -2.836 0.512 1.00 0.00 H new ATOM 0 HG2 GLU A 403 8.706 -4.627 0.686 1.00 0.00 H new ATOM 0 HG3 GLU A 403 7.300 -5.623 0.367 1.00 0.00 H new ATOM 640 N CYS A 404 3.985 -2.001 -0.315 1.00 0.00 N ATOM 641 CA CYS A 404 3.208 -1.009 -1.036 1.00 0.00 C ATOM 642 C CYS A 404 4.053 0.218 -1.357 1.00 0.00 C ATOM 643 O CYS A 404 4.214 1.106 -0.519 1.00 0.00 O ATOM 644 CB CYS A 404 2.001 -0.593 -0.199 1.00 0.00 C ATOM 645 SG CYS A 404 0.829 -1.932 0.125 1.00 0.00 S ATOM 0 H CYS A 404 3.841 -2.006 0.695 1.00 0.00 H new ATOM 0 HA CYS A 404 2.872 -1.452 -1.973 1.00 0.00 H new ATOM 0 HB2 CYS A 404 2.353 -0.194 0.753 1.00 0.00 H new ATOM 0 HB3 CYS A 404 1.479 0.216 -0.710 1.00 0.00 H new ATOM 0 HG CYS A 404 -0.017 -2.016 -0.859 1.00 0.00 H new ATOM 651 N ARG A 405 4.597 0.262 -2.571 1.00 0.00 N ATOM 652 CA ARG A 405 5.432 1.380 -2.993 1.00 0.00 C ATOM 653 C ARG A 405 4.588 2.479 -3.622 1.00 0.00 C ATOM 654 O ARG A 405 3.359 2.416 -3.604 1.00 0.00 O ATOM 655 CB ARG A 405 6.509 0.913 -3.976 1.00 0.00 C ATOM 656 CG ARG A 405 6.695 -0.597 -4.014 1.00 0.00 C ATOM 657 CD ARG A 405 8.167 -0.972 -4.092 1.00 0.00 C ATOM 658 NE ARG A 405 8.770 -0.550 -5.353 1.00 0.00 N ATOM 659 CZ ARG A 405 10.069 -0.316 -5.512 1.00 0.00 C ATOM 660 NH1 ARG A 405 10.905 -0.454 -4.492 1.00 0.00 N ATOM 661 NH2 ARG A 405 10.533 0.060 -6.697 1.00 0.00 N ATOM 0 H ARG A 405 4.474 -0.463 -3.278 1.00 0.00 H new ATOM 0 HA ARG A 405 5.922 1.784 -2.107 1.00 0.00 H new ATOM 0 HB2 ARG A 405 6.251 1.263 -4.976 1.00 0.00 H new ATOM 0 HB3 ARG A 405 7.457 1.380 -3.710 1.00 0.00 H new ATOM 0 HG2 ARG A 405 6.251 -1.043 -3.124 1.00 0.00 H new ATOM 0 HG3 ARG A 405 6.167 -1.009 -4.874 1.00 0.00 H new ATOM 0 HD2 ARG A 405 8.703 -0.513 -3.262 1.00 0.00 H new ATOM 0 HD3 ARG A 405 8.273 -2.051 -3.982 1.00 0.00 H new ATOM 0 HE ARG A 405 8.158 -0.427 -6.160 1.00 0.00 H new ATOM 0 HH11 ARG A 405 10.553 -0.741 -3.579 1.00 0.00 H new ATOM 0 HH12 ARG A 405 11.901 -0.273 -4.620 1.00 0.00 H new ATOM 0 HH21 ARG A 405 9.893 0.169 -7.484 1.00 0.00 H new ATOM 0 HH22 ARG A 405 11.529 0.240 -6.821 1.00 0.00 H new ATOM 675 N VAL A 406 5.252 3.494 -4.165 1.00 0.00 N ATOM 676 CA VAL A 406 4.559 4.615 -4.786 1.00 0.00 C ATOM 677 C VAL A 406 5.438 5.309 -5.819 1.00 0.00 C ATOM 678 O VAL A 406 6.661 5.190 -5.785 1.00 0.00 O ATOM 679 CB VAL A 406 4.104 5.639 -3.726 1.00 0.00 C ATOM 680 CG1 VAL A 406 2.608 5.528 -3.476 1.00 0.00 C ATOM 681 CG2 VAL A 406 4.876 5.450 -2.427 1.00 0.00 C ATOM 0 H VAL A 406 6.269 3.563 -4.187 1.00 0.00 H new ATOM 0 HA VAL A 406 3.682 4.210 -5.290 1.00 0.00 H new ATOM 0 HB VAL A 406 4.315 6.638 -4.109 1.00 0.00 H new ATOM 0 HG11 VAL A 406 2.309 6.259 -2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 406 2.069 5.720 -4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 406 2.372 4.525 -3.120 1.00 0.00 H new ATOM 0 HG21 VAL A 406 4.539 6.183 -1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 406 4.701 4.445 -2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 406 5.941 5.587 -2.614 1.00 0.00 H new ATOM 691 N GLY A 407 4.805 6.027 -6.746 1.00 0.00 N ATOM 692 CA GLY A 407 5.543 6.723 -7.784 1.00 0.00 C ATOM 693 C GLY A 407 6.794 7.409 -7.261 1.00 0.00 C ATOM 694 O GLY A 407 7.753 7.614 -8.007 1.00 0.00 O ATOM 0 H GLY A 407 3.792 6.138 -6.795 1.00 0.00 H new ATOM 0 HA2 GLY A 407 5.822 6.013 -8.562 1.00 0.00 H new ATOM 0 HA3 GLY A 407 4.894 7.466 -8.248 1.00 0.00 H new ATOM 698 N ASP A 408 6.784 7.766 -5.982 1.00 0.00 N ATOM 699 CA ASP A 408 7.926 8.435 -5.365 1.00 0.00 C ATOM 700 C ASP A 408 9.086 7.465 -5.157 1.00 0.00 C ATOM 701 O ASP A 408 10.161 7.858 -4.704 1.00 0.00 O ATOM 702 CB ASP A 408 7.518 9.047 -4.024 1.00 0.00 C ATOM 703 CG ASP A 408 8.305 10.300 -3.695 1.00 0.00 C ATOM 704 OD1 ASP A 408 9.397 10.484 -4.274 1.00 0.00 O ATOM 705 OD2 ASP A 408 7.832 11.096 -2.856 1.00 0.00 O ATOM 0 H ASP A 408 5.999 7.604 -5.351 1.00 0.00 H new ATOM 0 HA ASP A 408 8.255 9.226 -6.039 1.00 0.00 H new ATOM 0 HB2 ASP A 408 6.454 9.285 -4.045 1.00 0.00 H new ATOM 0 HB3 ASP A 408 7.664 8.312 -3.233 1.00 0.00 H new ATOM 710 N GLY A 409 8.862 6.198 -5.489 1.00 0.00 N ATOM 711 CA GLY A 409 9.898 5.195 -5.331 1.00 0.00 C ATOM 712 C GLY A 409 10.062 4.751 -3.889 1.00 0.00 C ATOM 713 O GLY A 409 10.914 3.915 -3.586 1.00 0.00 O ATOM 0 H GLY A 409 7.981 5.848 -5.865 1.00 0.00 H new ATOM 0 HA2 GLY A 409 9.659 4.330 -5.949 1.00 0.00 H new ATOM 0 HA3 GLY A 409 10.845 5.595 -5.695 1.00 0.00 H new ATOM 717 N THR A 410 9.248 5.309 -2.998 1.00 0.00 N ATOM 718 CA THR A 410 9.314 4.964 -1.584 1.00 0.00 C ATOM 719 C THR A 410 8.211 3.984 -1.197 1.00 0.00 C ATOM 720 O THR A 410 7.130 3.985 -1.785 1.00 0.00 O ATOM 721 CB THR A 410 9.204 6.216 -0.692 1.00 0.00 C ATOM 722 OG1 THR A 410 10.248 7.157 -0.975 1.00 0.00 O ATOM 723 CG2 THR A 410 9.281 5.838 0.779 1.00 0.00 C ATOM 0 H THR A 410 8.536 6.001 -3.231 1.00 0.00 H new ATOM 0 HA THR A 410 10.284 4.494 -1.424 1.00 0.00 H new ATOM 0 HB THR A 410 8.239 6.675 -0.909 1.00 0.00 H new ATOM 0 HG1 THR A 410 10.149 7.940 -0.394 1.00 0.00 H new ATOM 0 HG21 THR A 410 9.201 6.737 1.390 1.00 0.00 H new ATOM 0 HG22 THR A 410 8.464 5.159 1.024 1.00 0.00 H new ATOM 0 HG23 THR A 410 10.233 5.346 0.979 1.00 0.00 H new ATOM 731 N VAL A 411 8.494 3.156 -0.195 1.00 0.00 N ATOM 732 CA VAL A 411 7.529 2.174 0.288 1.00 0.00 C ATOM 733 C VAL A 411 6.731 2.743 1.456 1.00 0.00 C ATOM 734 O VAL A 411 7.269 2.936 2.547 1.00 0.00 O ATOM 735 CB VAL A 411 8.223 0.872 0.741 1.00 0.00 C ATOM 736 CG1 VAL A 411 7.221 -0.070 1.393 1.00 0.00 C ATOM 737 CG2 VAL A 411 8.915 0.192 -0.432 1.00 0.00 C ATOM 0 H VAL A 411 9.386 3.146 0.299 1.00 0.00 H new ATOM 0 HA VAL A 411 6.860 1.943 -0.541 1.00 0.00 H new ATOM 0 HB VAL A 411 8.982 1.130 1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 411 7.729 -0.982 1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 411 6.778 0.415 2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 411 6.437 -0.319 0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 411 9.397 -0.723 -0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 411 8.178 -0.051 -1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 411 9.666 0.863 -0.850 1.00 0.00 H new ATOM 747 N LEU A 412 5.450 3.017 1.226 1.00 0.00 N ATOM 748 CA LEU A 412 4.600 3.571 2.270 1.00 0.00 C ATOM 749 C LEU A 412 4.083 2.480 3.197 1.00 0.00 C ATOM 750 O LEU A 412 3.951 2.694 4.402 1.00 0.00 O ATOM 751 CB LEU A 412 3.426 4.364 1.675 1.00 0.00 C ATOM 752 CG LEU A 412 2.743 3.755 0.447 1.00 0.00 C ATOM 753 CD1 LEU A 412 1.890 2.564 0.841 1.00 0.00 C ATOM 754 CD2 LEU A 412 1.889 4.802 -0.252 1.00 0.00 C ATOM 0 H LEU A 412 4.982 2.865 0.332 1.00 0.00 H new ATOM 0 HA LEU A 412 5.213 4.257 2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 412 2.674 4.496 2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 412 3.786 5.358 1.408 1.00 0.00 H new ATOM 0 HG LEU A 412 3.516 3.412 -0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 412 1.414 2.147 -0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 412 2.518 1.805 1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 412 1.123 2.883 1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 412 1.409 4.357 -1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 412 1.126 5.168 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 412 2.519 5.633 -0.570 1.00 0.00 H new ATOM 766 N GLY A 413 3.781 1.314 2.637 1.00 0.00 N ATOM 767 CA GLY A 413 3.272 0.224 3.450 1.00 0.00 C ATOM 768 C GLY A 413 3.953 -1.097 3.166 1.00 0.00 C ATOM 769 O GLY A 413 4.706 -1.224 2.201 1.00 0.00 O ATOM 0 H GLY A 413 3.878 1.104 1.644 1.00 0.00 H new ATOM 0 HA2 GLY A 413 3.401 0.473 4.503 1.00 0.00 H new ATOM 0 HA3 GLY A 413 2.201 0.119 3.276 1.00 0.00 H new ATOM 773 N THR A 414 3.676 -2.086 4.009 1.00 0.00 N ATOM 774 CA THR A 414 4.244 -3.417 3.860 1.00 0.00 C ATOM 775 C THR A 414 3.426 -4.410 4.679 1.00 0.00 C ATOM 776 O THR A 414 2.995 -4.096 5.789 1.00 0.00 O ATOM 777 CB THR A 414 5.716 -3.469 4.315 1.00 0.00 C ATOM 778 OG1 THR A 414 6.478 -2.397 3.745 1.00 0.00 O ATOM 779 CG2 THR A 414 6.357 -4.787 3.908 1.00 0.00 C ATOM 0 H THR A 414 3.054 -1.986 4.811 1.00 0.00 H new ATOM 0 HA THR A 414 4.212 -3.677 2.802 1.00 0.00 H new ATOM 0 HB THR A 414 5.718 -3.373 5.401 1.00 0.00 H new ATOM 0 HG1 THR A 414 6.066 -2.115 2.902 1.00 0.00 H new ATOM 0 HG21 THR A 414 7.396 -4.804 4.238 1.00 0.00 H new ATOM 0 HG22 THR A 414 5.816 -5.613 4.370 1.00 0.00 H new ATOM 0 HG23 THR A 414 6.319 -4.890 2.824 1.00 0.00 H new ATOM 787 N GLY A 415 3.196 -5.598 4.135 1.00 0.00 N ATOM 788 CA GLY A 415 2.410 -6.583 4.857 1.00 0.00 C ATOM 789 C GLY A 415 2.631 -8.003 4.377 1.00 0.00 C ATOM 790 O GLY A 415 2.876 -8.240 3.195 1.00 0.00 O ATOM 0 H GLY A 415 3.534 -5.896 3.220 1.00 0.00 H new ATOM 0 HA2 GLY A 415 2.654 -6.524 5.918 1.00 0.00 H new ATOM 0 HA3 GLY A 415 1.353 -6.335 4.759 1.00 0.00 H new ATOM 794 N VAL A 416 2.533 -8.949 5.307 1.00 0.00 N ATOM 795 CA VAL A 416 2.709 -10.359 4.998 1.00 0.00 C ATOM 796 C VAL A 416 1.359 -11.071 4.975 1.00 0.00 C ATOM 797 O VAL A 416 0.515 -10.846 5.842 1.00 0.00 O ATOM 798 CB VAL A 416 3.644 -11.034 6.030 1.00 0.00 C ATOM 799 CG1 VAL A 416 3.317 -12.510 6.208 1.00 0.00 C ATOM 800 CG2 VAL A 416 5.093 -10.857 5.618 1.00 0.00 C ATOM 0 H VAL A 416 2.331 -8.759 6.288 1.00 0.00 H new ATOM 0 HA VAL A 416 3.167 -10.435 4.012 1.00 0.00 H new ATOM 0 HB VAL A 416 3.484 -10.546 6.992 1.00 0.00 H new ATOM 0 HG11 VAL A 416 3.996 -12.947 6.940 1.00 0.00 H new ATOM 0 HG12 VAL A 416 2.290 -12.616 6.557 1.00 0.00 H new ATOM 0 HG13 VAL A 416 3.431 -13.026 5.254 1.00 0.00 H new ATOM 0 HG21 VAL A 416 5.741 -11.336 6.352 1.00 0.00 H new ATOM 0 HG22 VAL A 416 5.252 -11.313 4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 416 5.329 -9.794 5.565 1.00 0.00 H new ATOM 810 N GLY A 417 1.163 -11.928 3.980 1.00 0.00 N ATOM 811 CA GLY A 417 -0.088 -12.652 3.875 1.00 0.00 C ATOM 812 C GLY A 417 0.088 -14.039 3.291 1.00 0.00 C ATOM 813 O GLY A 417 1.063 -14.304 2.586 1.00 0.00 O ATOM 0 H GLY A 417 1.844 -12.133 3.249 1.00 0.00 H new ATOM 0 HA2 GLY A 417 -0.541 -12.733 4.863 1.00 0.00 H new ATOM 0 HA3 GLY A 417 -0.780 -12.085 3.253 1.00 0.00 H new ATOM 817 N ARG A 418 -0.863 -14.924 3.575 1.00 0.00 N ATOM 818 CA ARG A 418 -0.809 -16.286 3.061 1.00 0.00 C ATOM 819 C ARG A 418 -0.376 -16.272 1.602 1.00 0.00 C ATOM 820 O ARG A 418 0.396 -17.121 1.157 1.00 0.00 O ATOM 821 CB ARG A 418 -2.179 -16.950 3.191 1.00 0.00 C ATOM 822 CG ARG A 418 -3.319 -16.051 2.748 1.00 0.00 C ATOM 823 CD ARG A 418 -4.593 -16.332 3.529 1.00 0.00 C ATOM 824 NE ARG A 418 -5.421 -17.344 2.881 1.00 0.00 N ATOM 825 CZ ARG A 418 -6.483 -17.901 3.454 1.00 0.00 C ATOM 826 NH1 ARG A 418 -6.835 -17.550 4.682 1.00 0.00 N ATOM 827 NH2 ARG A 418 -7.193 -18.810 2.799 1.00 0.00 N ATOM 0 H ARG A 418 -1.677 -14.722 4.156 1.00 0.00 H new ATOM 0 HA ARG A 418 -0.084 -16.855 3.643 1.00 0.00 H new ATOM 0 HB2 ARG A 418 -2.192 -17.863 2.596 1.00 0.00 H new ATOM 0 HB3 ARG A 418 -2.337 -17.243 4.229 1.00 0.00 H new ATOM 0 HG2 ARG A 418 -3.033 -15.008 2.882 1.00 0.00 H new ATOM 0 HG3 ARG A 418 -3.505 -16.197 1.684 1.00 0.00 H new ATOM 0 HD2 ARG A 418 -4.336 -16.664 4.535 1.00 0.00 H new ATOM 0 HD3 ARG A 418 -5.164 -15.410 3.634 1.00 0.00 H new ATOM 0 HE ARG A 418 -5.171 -17.640 1.937 1.00 0.00 H new ATOM 0 HH11 ARG A 418 -6.291 -16.852 5.189 1.00 0.00 H new ATOM 0 HH12 ARG A 418 -7.650 -17.978 5.121 1.00 0.00 H new ATOM 0 HH21 ARG A 418 -6.924 -19.083 1.854 1.00 0.00 H new ATOM 0 HH22 ARG A 418 -8.008 -19.236 3.241 1.00 0.00 H new ATOM 841 N ASN A 419 -0.880 -15.288 0.868 1.00 0.00 N ATOM 842 CA ASN A 419 -0.558 -15.127 -0.542 1.00 0.00 C ATOM 843 C ASN A 419 -0.158 -13.683 -0.832 1.00 0.00 C ATOM 844 O ASN A 419 -0.072 -12.858 0.078 1.00 0.00 O ATOM 845 CB ASN A 419 -1.755 -15.522 -1.408 1.00 0.00 C ATOM 846 CG ASN A 419 -1.423 -16.630 -2.390 1.00 0.00 C ATOM 847 OD1 ASN A 419 -1.317 -17.797 -2.013 1.00 0.00 O ATOM 848 ND2 ASN A 419 -1.258 -16.269 -3.657 1.00 0.00 N ATOM 0 H ASN A 419 -1.520 -14.583 1.232 1.00 0.00 H new ATOM 0 HA ASN A 419 0.281 -15.780 -0.782 1.00 0.00 H new ATOM 0 HB2 ASN A 419 -2.574 -15.845 -0.765 1.00 0.00 H new ATOM 0 HB3 ASN A 419 -2.106 -14.648 -1.957 1.00 0.00 H new ATOM 0 HD21 ASN A 419 -1.034 -16.971 -4.362 1.00 0.00 H new ATOM 0 HD22 ASN A 419 -1.355 -15.290 -3.925 1.00 0.00 H new ATOM 855 N ILE A 420 0.084 -13.383 -2.102 1.00 0.00 N ATOM 856 CA ILE A 420 0.475 -12.037 -2.508 1.00 0.00 C ATOM 857 C ILE A 420 -0.656 -11.041 -2.274 1.00 0.00 C ATOM 858 O ILE A 420 -0.449 -9.827 -2.322 1.00 0.00 O ATOM 859 CB ILE A 420 0.894 -12.014 -3.990 1.00 0.00 C ATOM 860 CG1 ILE A 420 2.298 -12.597 -4.136 1.00 0.00 C ATOM 861 CG2 ILE A 420 0.834 -10.601 -4.553 1.00 0.00 C ATOM 862 CD1 ILE A 420 2.322 -13.946 -4.819 1.00 0.00 C ATOM 0 H ILE A 420 0.017 -14.052 -2.869 1.00 0.00 H new ATOM 0 HA ILE A 420 1.327 -11.743 -1.895 1.00 0.00 H new ATOM 0 HB ILE A 420 0.195 -12.625 -4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 420 2.915 -11.900 -4.703 1.00 0.00 H new ATOM 0 HG13 ILE A 420 2.749 -12.691 -3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 420 1.135 -10.614 -5.601 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -0.184 -10.220 -4.472 1.00 0.00 H new ATOM 0 HG23 ILE A 420 1.508 -9.956 -3.990 1.00 0.00 H new ATOM 0 HD11 ILE A 420 3.350 -14.300 -4.889 1.00 0.00 H new ATOM 0 HD12 ILE A 420 1.732 -14.657 -4.241 1.00 0.00 H new ATOM 0 HD13 ILE A 420 1.901 -13.854 -5.820 1.00 0.00 H new ATOM 874 N LYS A 421 -1.844 -11.561 -2.010 1.00 0.00 N ATOM 875 CA LYS A 421 -2.997 -10.721 -1.755 1.00 0.00 C ATOM 876 C LYS A 421 -3.047 -10.317 -0.292 1.00 0.00 C ATOM 877 O LYS A 421 -3.016 -9.133 0.038 1.00 0.00 O ATOM 878 CB LYS A 421 -4.271 -11.458 -2.145 1.00 0.00 C ATOM 879 CG LYS A 421 -5.524 -10.798 -1.627 1.00 0.00 C ATOM 880 CD LYS A 421 -5.456 -9.295 -1.812 1.00 0.00 C ATOM 881 CE LYS A 421 -5.406 -8.931 -3.284 1.00 0.00 C ATOM 882 NZ LYS A 421 -6.767 -8.816 -3.876 1.00 0.00 N ATOM 0 H LYS A 421 -2.032 -12.563 -1.967 1.00 0.00 H new ATOM 0 HA LYS A 421 -2.913 -9.817 -2.357 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -4.326 -11.524 -3.232 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -4.223 -12.479 -1.766 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -6.393 -11.195 -2.152 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -5.655 -11.033 -0.571 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -6.324 -8.828 -1.347 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -4.574 -8.902 -1.306 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -4.876 -7.986 -3.406 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -4.838 -9.687 -3.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -6.688 -8.566 -4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -7.264 -9.725 -3.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -7.301 -8.077 -3.377 1.00 0.00 H new ATOM 896 N ILE A 422 -3.107 -11.302 0.584 1.00 0.00 N ATOM 897 CA ILE A 422 -3.144 -11.031 2.009 1.00 0.00 C ATOM 898 C ILE A 422 -1.981 -10.151 2.400 1.00 0.00 C ATOM 899 O ILE A 422 -2.076 -9.354 3.331 1.00 0.00 O ATOM 900 CB ILE A 422 -3.114 -12.321 2.836 1.00 0.00 C ATOM 901 CG1 ILE A 422 -4.383 -13.142 2.588 1.00 0.00 C ATOM 902 CG2 ILE A 422 -2.962 -11.998 4.314 1.00 0.00 C ATOM 903 CD1 ILE A 422 -5.546 -12.344 2.017 1.00 0.00 C ATOM 0 H ILE A 422 -3.131 -12.291 0.336 1.00 0.00 H new ATOM 0 HA ILE A 422 -4.082 -10.518 2.220 1.00 0.00 H new ATOM 0 HB ILE A 422 -2.255 -12.916 2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 422 -4.146 -13.957 1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 422 -4.697 -13.596 3.528 1.00 0.00 H new ATOM 0 HG21 ILE A 422 -2.942 -12.924 4.889 1.00 0.00 H new ATOM 0 HG22 ILE A 422 -2.032 -11.452 4.473 1.00 0.00 H new ATOM 0 HG23 ILE A 422 -3.803 -11.386 4.641 1.00 0.00 H new ATOM 0 HD11 ILE A 422 -6.403 -13.002 1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 422 -5.814 -11.546 2.709 1.00 0.00 H new ATOM 0 HD13 ILE A 422 -5.255 -11.912 1.060 1.00 0.00 H new ATOM 915 N ALA A 423 -0.892 -10.269 1.656 1.00 0.00 N ATOM 916 CA ALA A 423 0.264 -9.442 1.909 1.00 0.00 C ATOM 917 C ALA A 423 -0.062 -8.033 1.442 1.00 0.00 C ATOM 918 O ALA A 423 0.073 -7.063 2.189 1.00 0.00 O ATOM 919 CB ALA A 423 1.502 -9.980 1.205 1.00 0.00 C ATOM 0 H ALA A 423 -0.790 -10.924 0.881 1.00 0.00 H new ATOM 0 HA ALA A 423 0.492 -9.443 2.975 1.00 0.00 H new ATOM 0 HB1 ALA A 423 2.352 -9.332 1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 423 1.715 -10.987 1.562 1.00 0.00 H new ATOM 0 HB3 ALA A 423 1.326 -10.006 0.130 1.00 0.00 H new ATOM 925 N GLY A 424 -0.524 -7.947 0.198 1.00 0.00 N ATOM 926 CA GLY A 424 -0.908 -6.677 -0.373 1.00 0.00 C ATOM 927 C GLY A 424 -1.966 -5.992 0.468 1.00 0.00 C ATOM 928 O GLY A 424 -1.848 -4.807 0.779 1.00 0.00 O ATOM 0 H GLY A 424 -0.638 -8.745 -0.427 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -0.032 -6.033 -0.455 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -1.287 -6.830 -1.384 1.00 0.00 H new ATOM 932 N ILE A 425 -2.995 -6.746 0.853 1.00 0.00 N ATOM 933 CA ILE A 425 -4.061 -6.194 1.682 1.00 0.00 C ATOM 934 C ILE A 425 -3.470 -5.611 2.960 1.00 0.00 C ATOM 935 O ILE A 425 -3.556 -4.411 3.220 1.00 0.00 O ATOM 936 CB ILE A 425 -5.089 -7.270 2.084 1.00 0.00 C ATOM 937 CG1 ILE A 425 -5.739 -7.893 0.849 1.00 0.00 C ATOM 938 CG2 ILE A 425 -6.146 -6.675 3.001 1.00 0.00 C ATOM 939 CD1 ILE A 425 -6.013 -9.370 0.998 1.00 0.00 C ATOM 0 H ILE A 425 -3.111 -7.729 0.607 1.00 0.00 H new ATOM 0 HA ILE A 425 -4.561 -5.425 1.093 1.00 0.00 H new ATOM 0 HB ILE A 425 -4.564 -8.059 2.623 1.00 0.00 H new ATOM 0 HG12 ILE A 425 -6.676 -7.376 0.641 1.00 0.00 H new ATOM 0 HG13 ILE A 425 -5.090 -7.736 -0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 425 -6.865 -7.447 3.276 1.00 0.00 H new ATOM 0 HG22 ILE A 425 -5.670 -6.285 3.901 1.00 0.00 H new ATOM 0 HG23 ILE A 425 -6.662 -5.866 2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 425 -6.475 -9.748 0.086 1.00 0.00 H new ATOM 0 HD12 ILE A 425 -5.076 -9.898 1.176 1.00 0.00 H new ATOM 0 HD13 ILE A 425 -6.687 -9.532 1.840 1.00 0.00 H new ATOM 951 N ARG A 426 -2.877 -6.495 3.753 1.00 0.00 N ATOM 952 CA ARG A 426 -2.259 -6.123 5.024 1.00 0.00 C ATOM 953 C ARG A 426 -1.309 -4.937 4.870 1.00 0.00 C ATOM 954 O ARG A 426 -1.207 -4.100 5.764 1.00 0.00 O ATOM 955 CB ARG A 426 -1.512 -7.323 5.595 1.00 0.00 C ATOM 956 CG ARG A 426 -1.797 -7.586 7.066 1.00 0.00 C ATOM 957 CD ARG A 426 -0.817 -6.852 7.967 1.00 0.00 C ATOM 958 NE ARG A 426 -1.082 -7.100 9.383 1.00 0.00 N ATOM 959 CZ ARG A 426 -0.203 -6.862 10.352 1.00 0.00 C ATOM 960 NH1 ARG A 426 0.992 -6.368 10.061 1.00 0.00 N ATOM 961 NH2 ARG A 426 -0.520 -7.117 11.614 1.00 0.00 N ATOM 0 H ARG A 426 -2.810 -7.489 3.535 1.00 0.00 H new ATOM 0 HA ARG A 426 -3.051 -5.818 5.709 1.00 0.00 H new ATOM 0 HB2 ARG A 426 -1.777 -8.210 5.020 1.00 0.00 H new ATOM 0 HB3 ARG A 426 -0.441 -7.167 5.465 1.00 0.00 H new ATOM 0 HG2 ARG A 426 -2.814 -7.272 7.302 1.00 0.00 H new ATOM 0 HG3 ARG A 426 -1.740 -8.657 7.262 1.00 0.00 H new ATOM 0 HD2 ARG A 426 0.199 -7.165 7.728 1.00 0.00 H new ATOM 0 HD3 ARG A 426 -0.875 -5.782 7.770 1.00 0.00 H new ATOM 0 HE ARG A 426 -1.993 -7.477 9.643 1.00 0.00 H new ATOM 0 HH11 ARG A 426 1.239 -6.169 9.092 1.00 0.00 H new ATOM 0 HH12 ARG A 426 1.664 -6.186 10.806 1.00 0.00 H new ATOM 0 HH21 ARG A 426 -1.439 -7.496 11.842 1.00 0.00 H new ATOM 0 HH22 ARG A 426 0.155 -6.934 12.356 1.00 0.00 H new ATOM 975 N ALA A 427 -0.614 -4.870 3.739 1.00 0.00 N ATOM 976 CA ALA A 427 0.323 -3.780 3.483 1.00 0.00 C ATOM 977 C ALA A 427 -0.424 -2.479 3.212 1.00 0.00 C ATOM 978 O ALA A 427 -0.260 -1.492 3.926 1.00 0.00 O ATOM 979 CB ALA A 427 1.240 -4.108 2.313 1.00 0.00 C ATOM 0 H ALA A 427 -0.681 -5.555 2.986 1.00 0.00 H new ATOM 0 HA ALA A 427 0.936 -3.654 4.376 1.00 0.00 H new ATOM 0 HB1 ALA A 427 1.927 -3.278 2.145 1.00 0.00 H new ATOM 0 HB2 ALA A 427 1.809 -5.010 2.538 1.00 0.00 H new ATOM 0 HB3 ALA A 427 0.642 -4.271 1.416 1.00 0.00 H new ATOM 985 N ALA A 428 -1.244 -2.491 2.170 1.00 0.00 N ATOM 986 CA ALA A 428 -2.018 -1.319 1.797 1.00 0.00 C ATOM 987 C ALA A 428 -2.603 -0.700 3.051 1.00 0.00 C ATOM 988 O ALA A 428 -2.420 0.484 3.329 1.00 0.00 O ATOM 989 CB ALA A 428 -3.115 -1.683 0.811 1.00 0.00 C ATOM 0 H ALA A 428 -1.389 -3.302 1.568 1.00 0.00 H new ATOM 0 HA ALA A 428 -1.367 -0.597 1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 428 -3.679 -0.788 0.548 1.00 0.00 H new ATOM 0 HB2 ALA A 428 -2.669 -2.108 -0.088 1.00 0.00 H new ATOM 0 HB3 ALA A 428 -3.784 -2.414 1.265 1.00 0.00 H new ATOM 995 N GLU A 429 -3.270 -1.542 3.820 1.00 0.00 N ATOM 996 CA GLU A 429 -3.867 -1.148 5.083 1.00 0.00 C ATOM 997 C GLU A 429 -2.776 -0.733 6.058 1.00 0.00 C ATOM 998 O GLU A 429 -2.847 0.306 6.695 1.00 0.00 O ATOM 999 CB GLU A 429 -4.642 -2.334 5.637 1.00 0.00 C ATOM 1000 CG GLU A 429 -6.056 -1.992 6.076 1.00 0.00 C ATOM 1001 CD GLU A 429 -6.249 -2.108 7.576 1.00 0.00 C ATOM 1002 OE1 GLU A 429 -5.672 -3.039 8.177 1.00 0.00 O ATOM 1003 OE2 GLU A 429 -6.974 -1.268 8.148 1.00 0.00 O ATOM 0 H GLU A 429 -3.413 -2.524 3.584 1.00 0.00 H new ATOM 0 HA GLU A 429 -4.539 -0.303 4.936 1.00 0.00 H new ATOM 0 HB2 GLU A 429 -4.686 -3.114 4.877 1.00 0.00 H new ATOM 0 HB3 GLU A 429 -4.098 -2.747 6.486 1.00 0.00 H new ATOM 0 HG2 GLU A 429 -6.294 -0.976 5.761 1.00 0.00 H new ATOM 0 HG3 GLU A 429 -6.759 -2.655 5.571 1.00 0.00 H new ATOM 1010 N ASN A 430 -1.767 -1.573 6.150 1.00 0.00 N ATOM 1011 CA ASN A 430 -0.646 -1.311 7.039 1.00 0.00 C ATOM 1012 C ASN A 430 -0.218 0.134 6.882 1.00 0.00 C ATOM 1013 O ASN A 430 -0.189 0.897 7.847 1.00 0.00 O ATOM 1014 CB ASN A 430 0.513 -2.241 6.721 1.00 0.00 C ATOM 1015 CG ASN A 430 1.815 -1.792 7.358 1.00 0.00 C ATOM 1016 OD1 ASN A 430 2.876 -1.856 6.738 1.00 0.00 O ATOM 1017 ND2 ASN A 430 1.738 -1.333 8.601 1.00 0.00 N ATOM 0 H ASN A 430 -1.696 -2.443 5.622 1.00 0.00 H new ATOM 0 HA ASN A 430 -0.952 -1.491 8.070 1.00 0.00 H new ATOM 0 HB2 ASN A 430 0.272 -3.246 7.066 1.00 0.00 H new ATOM 0 HB3 ASN A 430 0.642 -2.297 5.640 1.00 0.00 H new ATOM 0 HD21 ASN A 430 2.580 -1.015 9.080 1.00 0.00 H new ATOM 0 HD22 ASN A 430 0.836 -1.298 9.077 1.00 0.00 H new ATOM 1024 N ALA A 431 0.068 0.516 5.648 1.00 0.00 N ATOM 1025 CA ALA A 431 0.440 1.884 5.352 1.00 0.00 C ATOM 1026 C ALA A 431 -0.748 2.776 5.641 1.00 0.00 C ATOM 1027 O ALA A 431 -0.615 3.874 6.180 1.00 0.00 O ATOM 1028 CB ALA A 431 0.869 2.031 3.903 1.00 0.00 C ATOM 0 H ALA A 431 0.049 -0.104 4.838 1.00 0.00 H new ATOM 0 HA ALA A 431 1.287 2.172 5.975 1.00 0.00 H new ATOM 0 HB1 ALA A 431 1.143 3.068 3.708 1.00 0.00 H new ATOM 0 HB2 ALA A 431 1.727 1.387 3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 431 0.046 1.744 3.249 1.00 0.00 H new ATOM 1034 N LEU A 432 -1.919 2.267 5.283 1.00 0.00 N ATOM 1035 CA LEU A 432 -3.174 2.965 5.495 1.00 0.00 C ATOM 1036 C LEU A 432 -3.342 3.355 6.953 1.00 0.00 C ATOM 1037 O LEU A 432 -3.706 4.487 7.275 1.00 0.00 O ATOM 1038 CB LEU A 432 -4.311 2.035 5.092 1.00 0.00 C ATOM 1039 CG LEU A 432 -5.642 2.704 4.801 1.00 0.00 C ATOM 1040 CD1 LEU A 432 -6.312 1.994 3.644 1.00 0.00 C ATOM 1041 CD2 LEU A 432 -6.527 2.681 6.039 1.00 0.00 C ATOM 0 H LEU A 432 -2.023 1.356 4.836 1.00 0.00 H new ATOM 0 HA LEU A 432 -3.182 3.875 4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 432 -4.004 1.480 4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 432 -4.459 1.307 5.889 1.00 0.00 H new ATOM 0 HG LEU A 432 -5.476 3.747 4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 432 -7.269 2.470 3.430 1.00 0.00 H new ATOM 0 HD12 LEU A 432 -5.673 2.051 2.763 1.00 0.00 H new ATOM 0 HD13 LEU A 432 -6.477 0.949 3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 432 -7.478 3.164 5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 432 -6.706 1.649 6.339 1.00 0.00 H new ATOM 0 HD23 LEU A 432 -6.031 3.214 6.851 1.00 0.00 H new ATOM 1053 N ARG A 433 -3.087 2.393 7.826 1.00 0.00 N ATOM 1054 CA ARG A 433 -3.215 2.590 9.258 1.00 0.00 C ATOM 1055 C ARG A 433 -2.332 3.733 9.754 1.00 0.00 C ATOM 1056 O ARG A 433 -2.476 4.189 10.888 1.00 0.00 O ATOM 1057 CB ARG A 433 -2.877 1.284 9.971 1.00 0.00 C ATOM 1058 CG ARG A 433 -3.951 0.222 9.807 1.00 0.00 C ATOM 1059 CD ARG A 433 -3.349 -1.165 9.684 1.00 0.00 C ATOM 1060 NE ARG A 433 -3.084 -1.765 10.988 1.00 0.00 N ATOM 1061 CZ ARG A 433 -2.180 -2.718 11.188 1.00 0.00 C ATOM 1062 NH1 ARG A 433 -1.471 -3.183 10.169 1.00 0.00 N ATOM 1063 NH2 ARG A 433 -1.987 -3.209 12.404 1.00 0.00 N ATOM 0 H ARG A 433 -2.786 1.455 7.560 1.00 0.00 H new ATOM 0 HA ARG A 433 -4.244 2.872 9.484 1.00 0.00 H new ATOM 0 HB2 ARG A 433 -1.933 0.900 9.585 1.00 0.00 H new ATOM 0 HB3 ARG A 433 -2.730 1.484 11.033 1.00 0.00 H new ATOM 0 HG2 ARG A 433 -4.627 0.252 10.662 1.00 0.00 H new ATOM 0 HG3 ARG A 433 -4.548 0.440 8.921 1.00 0.00 H new ATOM 0 HD2 ARG A 433 -4.028 -1.806 9.121 1.00 0.00 H new ATOM 0 HD3 ARG A 433 -2.420 -1.108 9.116 1.00 0.00 H new ATOM 0 HE ARG A 433 -3.622 -1.435 11.789 1.00 0.00 H new ATOM 0 HH11 ARG A 433 -1.619 -2.809 9.232 1.00 0.00 H new ATOM 0 HH12 ARG A 433 -0.777 -3.915 10.322 1.00 0.00 H new ATOM 0 HH21 ARG A 433 -2.533 -2.855 13.189 1.00 0.00 H new ATOM 0 HH22 ARG A 433 -1.292 -3.941 12.554 1.00 0.00 H new ATOM 1077 N ASP A 434 -1.425 4.200 8.901 1.00 0.00 N ATOM 1078 CA ASP A 434 -0.538 5.294 9.253 1.00 0.00 C ATOM 1079 C ASP A 434 -1.125 6.632 8.803 1.00 0.00 C ATOM 1080 O ASP A 434 -1.172 6.933 7.610 1.00 0.00 O ATOM 1081 CB ASP A 434 0.832 5.079 8.616 1.00 0.00 C ATOM 1082 CG ASP A 434 1.509 3.816 9.112 1.00 0.00 C ATOM 1083 OD1 ASP A 434 0.903 2.730 8.992 1.00 0.00 O ATOM 1084 OD2 ASP A 434 2.646 3.913 9.621 1.00 0.00 O ATOM 0 H ASP A 434 -1.288 3.834 7.959 1.00 0.00 H new ATOM 0 HA ASP A 434 -0.428 5.316 10.337 1.00 0.00 H new ATOM 0 HB2 ASP A 434 0.722 5.027 7.533 1.00 0.00 H new ATOM 0 HB3 ASP A 434 1.468 5.937 8.831 1.00 0.00 H new ATOM 1089 N LYS A 435 -1.569 7.429 9.770 1.00 0.00 N ATOM 1090 CA LYS A 435 -2.154 8.738 9.482 1.00 0.00 C ATOM 1091 C LYS A 435 -1.117 9.685 8.893 1.00 0.00 C ATOM 1092 O LYS A 435 -1.282 10.184 7.782 1.00 0.00 O ATOM 1093 CB LYS A 435 -2.765 9.346 10.746 1.00 0.00 C ATOM 1094 CG LYS A 435 -1.945 9.099 12.001 1.00 0.00 C ATOM 1095 CD LYS A 435 -2.727 8.300 13.032 1.00 0.00 C ATOM 1096 CE LYS A 435 -3.478 7.144 12.393 1.00 0.00 C ATOM 1097 NZ LYS A 435 -3.096 5.835 12.990 1.00 0.00 N ATOM 0 H LYS A 435 -1.536 7.193 10.762 1.00 0.00 H new ATOM 0 HA LYS A 435 -2.944 8.594 8.745 1.00 0.00 H new ATOM 0 HB2 LYS A 435 -2.879 10.421 10.603 1.00 0.00 H new ATOM 0 HB3 LYS A 435 -3.765 8.936 10.889 1.00 0.00 H new ATOM 0 HG2 LYS A 435 -1.032 8.563 11.740 1.00 0.00 H new ATOM 0 HG3 LYS A 435 -1.642 10.053 12.432 1.00 0.00 H new ATOM 0 HD2 LYS A 435 -2.044 7.916 13.790 1.00 0.00 H new ATOM 0 HD3 LYS A 435 -3.433 8.956 13.542 1.00 0.00 H new ATOM 0 HE2 LYS A 435 -4.550 7.298 12.512 1.00 0.00 H new ATOM 0 HE3 LYS A 435 -3.275 7.127 11.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 -3.174 5.089 12.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 -2.116 5.883 13.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 -3.731 5.617 13.784 1.00 0.00 H new ATOM 1111 N LYS A 436 -0.064 9.950 9.652 1.00 0.00 N ATOM 1112 CA LYS A 436 0.978 10.864 9.207 1.00 0.00 C ATOM 1113 C LYS A 436 1.219 10.703 7.713 1.00 0.00 C ATOM 1114 O LYS A 436 1.146 11.671 6.960 1.00 0.00 O ATOM 1115 CB LYS A 436 2.274 10.603 9.975 1.00 0.00 C ATOM 1116 CG LYS A 436 2.493 11.548 11.145 1.00 0.00 C ATOM 1117 CD LYS A 436 2.042 10.926 12.456 1.00 0.00 C ATOM 1118 CE LYS A 436 3.167 10.904 13.479 1.00 0.00 C ATOM 1119 NZ LYS A 436 2.754 11.510 14.775 1.00 0.00 N ATOM 0 H LYS A 436 0.092 9.547 10.576 1.00 0.00 H new ATOM 0 HA LYS A 436 0.650 11.885 9.403 1.00 0.00 H new ATOM 0 HB2 LYS A 436 2.267 9.578 10.344 1.00 0.00 H new ATOM 0 HB3 LYS A 436 3.116 10.688 9.288 1.00 0.00 H new ATOM 0 HG2 LYS A 436 3.549 11.810 11.210 1.00 0.00 H new ATOM 0 HG3 LYS A 436 1.945 12.474 10.973 1.00 0.00 H new ATOM 0 HD2 LYS A 436 1.197 11.488 12.855 1.00 0.00 H new ATOM 0 HD3 LYS A 436 1.692 9.909 12.276 1.00 0.00 H new ATOM 0 HE2 LYS A 436 3.486 9.875 13.645 1.00 0.00 H new ATOM 0 HE3 LYS A 436 4.027 11.444 13.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 436 3.550 11.475 15.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 436 2.474 12.500 14.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 436 1.950 10.979 15.166 1.00 0.00 H new ATOM 1133 N MET A 437 1.478 9.478 7.281 1.00 0.00 N ATOM 1134 CA MET A 437 1.694 9.220 5.858 1.00 0.00 C ATOM 1135 C MET A 437 0.430 9.571 5.081 1.00 0.00 C ATOM 1136 O MET A 437 0.479 10.314 4.104 1.00 0.00 O ATOM 1137 CB MET A 437 2.101 7.765 5.577 1.00 0.00 C ATOM 1138 CG MET A 437 2.037 6.838 6.779 1.00 0.00 C ATOM 1139 SD MET A 437 3.472 7.010 7.860 1.00 0.00 S ATOM 1140 CE MET A 437 4.391 5.532 7.438 1.00 0.00 C ATOM 0 H MET A 437 1.544 8.656 7.881 1.00 0.00 H new ATOM 0 HA MET A 437 2.522 9.849 5.531 1.00 0.00 H new ATOM 0 HB2 MET A 437 1.454 7.367 4.795 1.00 0.00 H new ATOM 0 HB3 MET A 437 3.118 7.757 5.184 1.00 0.00 H new ATOM 0 HG2 MET A 437 1.131 7.047 7.347 1.00 0.00 H new ATOM 0 HG3 MET A 437 1.967 5.806 6.435 1.00 0.00 H new ATOM 0 HE1 MET A 437 5.167 5.361 8.184 1.00 0.00 H new ATOM 0 HE2 MET A 437 3.715 4.677 7.415 1.00 0.00 H new ATOM 0 HE3 MET A 437 4.851 5.657 6.458 1.00 0.00 H new ATOM 1150 N LEU A 438 -0.710 9.059 5.541 1.00 0.00 N ATOM 1151 CA LEU A 438 -1.984 9.357 4.897 1.00 0.00 C ATOM 1152 C LEU A 438 -2.046 10.850 4.589 1.00 0.00 C ATOM 1153 O LEU A 438 -2.126 11.270 3.434 1.00 0.00 O ATOM 1154 CB LEU A 438 -3.141 8.992 5.836 1.00 0.00 C ATOM 1155 CG LEU A 438 -3.729 7.584 5.688 1.00 0.00 C ATOM 1156 CD1 LEU A 438 -2.750 6.636 5.013 1.00 0.00 C ATOM 1157 CD2 LEU A 438 -4.139 7.047 7.052 1.00 0.00 C ATOM 0 H LEU A 438 -0.776 8.441 6.350 1.00 0.00 H new ATOM 0 HA LEU A 438 -2.069 8.778 3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 438 -2.796 9.111 6.863 1.00 0.00 H new ATOM 0 HB3 LEU A 438 -3.944 9.714 5.684 1.00 0.00 H new ATOM 0 HG LEU A 438 -4.610 7.651 5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 438 -3.202 5.648 4.926 1.00 0.00 H new ATOM 0 HD12 LEU A 438 -2.505 7.012 4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 438 -1.840 6.567 5.609 1.00 0.00 H new ATOM 0 HD21 LEU A 438 -4.556 6.046 6.939 1.00 0.00 H new ATOM 0 HD22 LEU A 438 -3.266 7.005 7.704 1.00 0.00 H new ATOM 0 HD23 LEU A 438 -4.889 7.705 7.492 1.00 0.00 H new ATOM 1169 N ASP A 439 -2.003 11.635 5.659 1.00 0.00 N ATOM 1170 CA ASP A 439 -2.049 13.095 5.588 1.00 0.00 C ATOM 1171 C ASP A 439 -0.851 13.652 4.829 1.00 0.00 C ATOM 1172 O ASP A 439 -0.896 14.754 4.290 1.00 0.00 O ATOM 1173 CB ASP A 439 -2.055 13.664 7.006 1.00 0.00 C ATOM 1174 CG ASP A 439 -3.123 14.720 7.202 1.00 0.00 C ATOM 1175 OD1 ASP A 439 -4.279 14.480 6.795 1.00 0.00 O ATOM 1176 OD2 ASP A 439 -2.804 15.790 7.764 1.00 0.00 O ATOM 0 H ASP A 439 -1.935 11.275 6.611 1.00 0.00 H new ATOM 0 HA ASP A 439 -2.955 13.385 5.055 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -2.214 12.854 7.718 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -1.078 14.095 7.226 1.00 0.00 H new ATOM 1181 N PHE A 440 0.211 12.873 4.789 1.00 0.00 N ATOM 1182 CA PHE A 440 1.419 13.281 4.094 1.00 0.00 C ATOM 1183 C PHE A 440 1.187 13.223 2.595 1.00 0.00 C ATOM 1184 O PHE A 440 1.332 14.222 1.889 1.00 0.00 O ATOM 1185 CB PHE A 440 2.601 12.395 4.487 1.00 0.00 C ATOM 1186 CG PHE A 440 3.910 12.865 3.923 1.00 0.00 C ATOM 1187 CD1 PHE A 440 4.116 12.889 2.554 1.00 0.00 C ATOM 1188 CD2 PHE A 440 4.930 13.285 4.761 1.00 0.00 C ATOM 1189 CE1 PHE A 440 5.318 13.325 2.029 1.00 0.00 C ATOM 1190 CE2 PHE A 440 6.134 13.722 4.242 1.00 0.00 C ATOM 1191 CZ PHE A 440 6.327 13.742 2.874 1.00 0.00 C ATOM 0 H PHE A 440 0.264 11.954 5.229 1.00 0.00 H new ATOM 0 HA PHE A 440 1.660 14.305 4.381 1.00 0.00 H new ATOM 0 HB2 PHE A 440 2.674 12.360 5.574 1.00 0.00 H new ATOM 0 HB3 PHE A 440 2.412 11.377 4.147 1.00 0.00 H new ATOM 0 HD1 PHE A 440 3.329 12.564 1.889 1.00 0.00 H new ATOM 0 HD2 PHE A 440 4.783 13.271 5.831 1.00 0.00 H new ATOM 0 HE1 PHE A 440 5.468 13.339 0.960 1.00 0.00 H new ATOM 0 HE2 PHE A 440 6.923 14.047 4.904 1.00 0.00 H new ATOM 0 HZ PHE A 440 7.267 14.084 2.466 1.00 0.00 H new ATOM 1201 N TYR A 441 0.805 12.049 2.119 1.00 0.00 N ATOM 1202 CA TYR A 441 0.527 11.854 0.713 1.00 0.00 C ATOM 1203 C TYR A 441 -0.607 12.765 0.273 1.00 0.00 C ATOM 1204 O TYR A 441 -0.503 13.446 -0.747 1.00 0.00 O ATOM 1205 CB TYR A 441 0.196 10.394 0.453 1.00 0.00 C ATOM 1206 CG TYR A 441 1.414 9.509 0.535 1.00 0.00 C ATOM 1207 CD1 TYR A 441 2.623 9.904 -0.028 1.00 0.00 C ATOM 1208 CD2 TYR A 441 1.356 8.280 1.167 1.00 0.00 C ATOM 1209 CE1 TYR A 441 3.739 9.093 0.039 1.00 0.00 C ATOM 1210 CE2 TYR A 441 2.466 7.462 1.236 1.00 0.00 C ATOM 1211 CZ TYR A 441 3.656 7.873 0.672 1.00 0.00 C ATOM 1212 OH TYR A 441 4.765 7.061 0.738 1.00 0.00 O ATOM 0 H TYR A 441 0.681 11.215 2.693 1.00 0.00 H new ATOM 0 HA TYR A 441 1.410 12.113 0.128 1.00 0.00 H new ATOM 0 HB2 TYR A 441 -0.545 10.057 1.178 1.00 0.00 H new ATOM 0 HB3 TYR A 441 -0.256 10.296 -0.534 1.00 0.00 H new ATOM 0 HD1 TYR A 441 2.690 10.860 -0.526 1.00 0.00 H new ATOM 0 HD2 TYR A 441 0.428 7.955 1.613 1.00 0.00 H new ATOM 0 HE1 TYR A 441 4.671 9.414 -0.402 1.00 0.00 H new ATOM 0 HE2 TYR A 441 2.403 6.504 1.730 1.00 0.00 H new ATOM 0 HH TYR A 441 5.024 6.936 1.675 1.00 0.00 H new ATOM 1222 N ALA A 442 -1.677 12.805 1.060 1.00 0.00 N ATOM 1223 CA ALA A 442 -2.793 13.678 0.738 1.00 0.00 C ATOM 1224 C ALA A 442 -2.270 15.103 0.654 1.00 0.00 C ATOM 1225 O ALA A 442 -2.295 15.731 -0.404 1.00 0.00 O ATOM 1226 CB ALA A 442 -3.900 13.579 1.778 1.00 0.00 C ATOM 0 H ALA A 442 -1.792 12.253 1.910 1.00 0.00 H new ATOM 0 HA ALA A 442 -3.225 13.373 -0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 442 -4.718 14.246 1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 442 -4.267 12.554 1.822 1.00 0.00 H new ATOM 0 HB3 ALA A 442 -3.509 13.867 2.754 1.00 0.00 H new ATOM 1232 N LYS A 443 -1.781 15.597 1.788 1.00 0.00 N ATOM 1233 CA LYS A 443 -1.230 16.939 1.865 1.00 0.00 C ATOM 1234 C LYS A 443 -0.333 17.185 0.668 1.00 0.00 C ATOM 1235 O LYS A 443 -0.275 18.289 0.130 1.00 0.00 O ATOM 1236 CB LYS A 443 -0.417 17.098 3.144 1.00 0.00 C ATOM 1237 CG LYS A 443 -1.256 17.263 4.395 1.00 0.00 C ATOM 1238 CD LYS A 443 -1.563 18.727 4.670 1.00 0.00 C ATOM 1239 CE LYS A 443 -2.218 19.399 3.472 1.00 0.00 C ATOM 1240 NZ LYS A 443 -2.840 20.701 3.839 1.00 0.00 N ATOM 0 H LYS A 443 -1.757 15.082 2.668 1.00 0.00 H new ATOM 0 HA LYS A 443 -2.048 17.660 1.869 1.00 0.00 H new ATOM 0 HB2 LYS A 443 0.226 16.226 3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 443 0.236 17.964 3.041 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -2.188 16.709 4.285 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -0.729 16.834 5.247 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -2.221 18.805 5.536 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -0.641 19.251 4.922 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -1.473 19.559 2.693 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -2.978 18.738 3.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -3.276 21.127 2.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -3.569 20.545 4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -2.111 21.341 4.213 1.00 0.00 H new ATOM 1254 N GLN A 444 0.339 16.128 0.239 1.00 0.00 N ATOM 1255 CA GLN A 444 1.207 16.204 -0.924 1.00 0.00 C ATOM 1256 C GLN A 444 0.352 16.512 -2.148 1.00 0.00 C ATOM 1257 O GLN A 444 0.570 17.495 -2.855 1.00 0.00 O ATOM 1258 CB GLN A 444 1.956 14.883 -1.120 1.00 0.00 C ATOM 1259 CG GLN A 444 3.273 15.029 -1.864 1.00 0.00 C ATOM 1260 CD GLN A 444 4.014 13.713 -2.002 1.00 0.00 C ATOM 1261 OE1 GLN A 444 5.231 13.650 -1.819 1.00 0.00 O ATOM 1262 NE2 GLN A 444 3.284 12.652 -2.328 1.00 0.00 N ATOM 0 H GLN A 444 0.300 15.209 0.679 1.00 0.00 H new ATOM 0 HA GLN A 444 1.946 16.992 -0.780 1.00 0.00 H new ATOM 0 HB2 GLN A 444 2.148 14.437 -0.144 1.00 0.00 H new ATOM 0 HB3 GLN A 444 1.316 14.191 -1.666 1.00 0.00 H new ATOM 0 HG2 GLN A 444 3.082 15.440 -2.855 1.00 0.00 H new ATOM 0 HG3 GLN A 444 3.906 15.744 -1.339 1.00 0.00 H new ATOM 0 HE21 GLN A 444 2.279 12.749 -2.470 1.00 0.00 H new ATOM 0 HE22 GLN A 444 3.729 11.740 -2.436 1.00 0.00 H new