USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 396 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 NoAdj-H: A 335 HIS HD1 : A 335 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Single : A 310 TYR OH : rot -140:sc= -0.595 USER MOD Single : A 317 SER OG : rot -100:sc= -7.13! USER MOD Single : A 319 ASN : amide:sc= -4.41! C(o=-4.4!,f=-2.3!) USER MOD Single : A 333 SER OG : rot 114:sc= -0.996! USER MOD Single : A 334 TYR OH : rot 180:sc= 0 USER MOD Single : A 336 THR OG1 : rot -80:sc= -0.853 USER MOD Single : A 344 HIS : no HD1:sc= -0.617 K(o=-0.62,f=-0.076) USER MOD Single : A 348 LYS NZ :NH3+ 155:sc= -0.159 (180deg=-0.854) USER MOD Single : A 355 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 359 GLN : amide:sc=-0.00402 K(o=-0.004,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 306 4.718 15.136 6.981 1.00 0.00 N ATOM 2 CA ALA A 306 5.612 14.628 5.901 1.00 0.00 C ATOM 3 C ALA A 306 4.900 13.512 5.134 1.00 0.00 C ATOM 4 O ALA A 306 5.432 12.955 4.195 1.00 0.00 O ATOM 5 CB ALA A 306 6.899 14.079 6.522 1.00 0.00 C ATOM 0 HA ALA A 306 5.856 15.441 5.217 1.00 0.00 H new ATOM 0 HB1 ALA A 306 7.554 13.707 5.734 1.00 0.00 H new ATOM 0 HB2 ALA A 306 7.406 14.873 7.070 1.00 0.00 H new ATOM 0 HB3 ALA A 306 6.655 13.265 7.205 1.00 0.00 H new ATOM 13 N VAL A 307 3.700 13.180 5.527 1.00 0.00 N ATOM 14 CA VAL A 307 2.956 12.101 4.819 1.00 0.00 C ATOM 15 C VAL A 307 2.559 12.587 3.423 1.00 0.00 C ATOM 16 O VAL A 307 2.449 11.814 2.493 1.00 0.00 O ATOM 17 CB VAL A 307 1.697 11.745 5.610 1.00 0.00 C ATOM 18 CG1 VAL A 307 2.078 11.420 7.057 1.00 0.00 C ATOM 19 CG2 VAL A 307 0.729 12.930 5.591 1.00 0.00 C ATOM 0 H VAL A 307 3.203 13.610 6.308 1.00 0.00 H new ATOM 0 HA VAL A 307 3.591 11.220 4.731 1.00 0.00 H new ATOM 0 HB VAL A 307 1.217 10.877 5.157 1.00 0.00 H new ATOM 0 HG11 VAL A 307 1.181 11.166 7.621 1.00 0.00 H new ATOM 0 HG12 VAL A 307 2.767 10.575 7.071 1.00 0.00 H new ATOM 0 HG13 VAL A 307 2.558 12.287 7.510 1.00 0.00 H new ATOM 0 HG21 VAL A 307 -0.168 12.676 6.155 1.00 0.00 H new ATOM 0 HG22 VAL A 307 1.208 13.798 6.043 1.00 0.00 H new ATOM 0 HG23 VAL A 307 0.457 13.161 4.561 1.00 0.00 H new ATOM 29 N ASP A 308 2.344 13.865 3.271 1.00 0.00 N ATOM 30 CA ASP A 308 1.954 14.402 1.937 1.00 0.00 C ATOM 31 C ASP A 308 3.023 14.033 0.907 1.00 0.00 C ATOM 32 O ASP A 308 2.727 13.770 -0.242 1.00 0.00 O ATOM 33 CB ASP A 308 1.827 15.925 2.017 1.00 0.00 C ATOM 34 CG ASP A 308 0.637 16.292 2.905 1.00 0.00 C ATOM 35 OD1 ASP A 308 -0.141 15.404 3.216 1.00 0.00 O ATOM 36 OD2 ASP A 308 0.524 17.453 3.261 1.00 0.00 O ATOM 0 H ASP A 308 2.422 14.560 4.013 1.00 0.00 H new ATOM 0 HA ASP A 308 0.998 13.973 1.638 1.00 0.00 H new ATOM 0 HB2 ASP A 308 2.743 16.356 2.422 1.00 0.00 H new ATOM 0 HB3 ASP A 308 1.692 16.342 1.019 1.00 0.00 H new ATOM 41 N LEU A 309 4.263 14.016 1.308 1.00 0.00 N ATOM 42 CA LEU A 309 5.351 13.669 0.351 1.00 0.00 C ATOM 43 C LEU A 309 5.055 12.313 -0.292 1.00 0.00 C ATOM 44 O LEU A 309 5.290 12.112 -1.467 1.00 0.00 O ATOM 45 CB LEU A 309 6.684 13.600 1.101 1.00 0.00 C ATOM 46 CG LEU A 309 7.822 13.356 0.106 1.00 0.00 C ATOM 47 CD1 LEU A 309 8.006 14.588 -0.785 1.00 0.00 C ATOM 48 CD2 LEU A 309 9.117 13.086 0.874 1.00 0.00 C ATOM 0 H LEU A 309 4.571 14.227 2.257 1.00 0.00 H new ATOM 0 HA LEU A 309 5.409 14.431 -0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 309 6.856 14.529 1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 309 6.656 12.799 1.840 1.00 0.00 H new ATOM 0 HG LEU A 309 7.578 12.496 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 309 8.817 14.409 -1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 309 7.084 14.782 -1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 309 8.248 15.452 -0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 309 9.929 12.912 0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 309 9.357 13.947 1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 309 8.989 12.206 1.504 1.00 0.00 H new ATOM 60 N TYR A 310 4.540 11.381 0.468 1.00 0.00 N ATOM 61 CA TYR A 310 4.227 10.038 -0.099 1.00 0.00 C ATOM 62 C TYR A 310 2.720 9.786 -0.016 1.00 0.00 C ATOM 63 O TYR A 310 2.138 9.783 1.051 1.00 0.00 O ATOM 64 CB TYR A 310 4.971 8.963 0.695 1.00 0.00 C ATOM 65 CG TYR A 310 5.703 8.053 -0.260 1.00 0.00 C ATOM 66 CD1 TYR A 310 5.066 6.917 -0.768 1.00 0.00 C ATOM 67 CD2 TYR A 310 7.018 8.349 -0.641 1.00 0.00 C ATOM 68 CE1 TYR A 310 5.743 6.072 -1.656 1.00 0.00 C ATOM 69 CE2 TYR A 310 7.695 7.505 -1.529 1.00 0.00 C ATOM 70 CZ TYR A 310 7.058 6.366 -2.036 1.00 0.00 C ATOM 71 OH TYR A 310 7.726 5.534 -2.912 1.00 0.00 O ATOM 0 H TYR A 310 4.323 11.494 1.458 1.00 0.00 H new ATOM 0 HA TYR A 310 4.542 10.002 -1.142 1.00 0.00 H new ATOM 0 HB2 TYR A 310 5.676 9.427 1.385 1.00 0.00 H new ATOM 0 HB3 TYR A 310 4.268 8.387 1.297 1.00 0.00 H new ATOM 0 HD1 TYR A 310 4.051 6.691 -0.475 1.00 0.00 H new ATOM 0 HD2 TYR A 310 7.509 9.228 -0.250 1.00 0.00 H new ATOM 0 HE1 TYR A 310 5.251 5.194 -2.048 1.00 0.00 H new ATOM 0 HE2 TYR A 310 8.709 7.732 -1.823 1.00 0.00 H new ATOM 0 HH TYR A 310 8.658 5.437 -2.625 1.00 0.00 H new ATOM 81 N VAL A 311 2.085 9.577 -1.137 1.00 0.00 N ATOM 82 CA VAL A 311 0.616 9.329 -1.136 1.00 0.00 C ATOM 83 C VAL A 311 0.290 8.157 -2.067 1.00 0.00 C ATOM 84 O VAL A 311 1.124 7.704 -2.825 1.00 0.00 O ATOM 85 CB VAL A 311 -0.131 10.581 -1.605 1.00 0.00 C ATOM 86 CG1 VAL A 311 0.290 11.778 -0.751 1.00 0.00 C ATOM 87 CG2 VAL A 311 0.203 10.856 -3.073 1.00 0.00 C ATOM 0 H VAL A 311 2.523 9.567 -2.058 1.00 0.00 H new ATOM 0 HA VAL A 311 0.299 9.086 -0.122 1.00 0.00 H new ATOM 0 HB VAL A 311 -1.204 10.423 -1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 311 -0.242 12.669 -1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 311 0.049 11.582 0.294 1.00 0.00 H new ATOM 0 HG13 VAL A 311 1.364 11.937 -0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 311 -0.329 11.747 -3.406 1.00 0.00 H new ATOM 0 HG22 VAL A 311 1.276 11.013 -3.179 1.00 0.00 H new ATOM 0 HG23 VAL A 311 -0.100 10.004 -3.681 1.00 0.00 H new ATOM 97 N CYS A 312 -0.918 7.667 -2.014 1.00 0.00 N ATOM 98 CA CYS A 312 -1.302 6.525 -2.893 1.00 0.00 C ATOM 99 C CYS A 312 -1.370 7.026 -4.332 1.00 0.00 C ATOM 100 O CYS A 312 -2.255 7.767 -4.704 1.00 0.00 O ATOM 101 CB CYS A 312 -2.682 6.013 -2.466 1.00 0.00 C ATOM 102 SG CYS A 312 -3.383 4.930 -3.731 1.00 0.00 S ATOM 0 H CYS A 312 -1.657 8.008 -1.399 1.00 0.00 H new ATOM 0 HA CYS A 312 -0.573 5.719 -2.813 1.00 0.00 H new ATOM 0 HB2 CYS A 312 -2.599 5.472 -1.523 1.00 0.00 H new ATOM 0 HB3 CYS A 312 -3.350 6.856 -2.292 1.00 0.00 H new ATOM 107 N LEU A 313 -0.425 6.635 -5.141 1.00 0.00 N ATOM 108 CA LEU A 313 -0.414 7.097 -6.557 1.00 0.00 C ATOM 109 C LEU A 313 -1.701 6.658 -7.252 1.00 0.00 C ATOM 110 O LEU A 313 -2.219 7.339 -8.113 1.00 0.00 O ATOM 111 CB LEU A 313 0.790 6.488 -7.280 1.00 0.00 C ATOM 112 CG LEU A 313 0.875 7.051 -8.702 1.00 0.00 C ATOM 113 CD1 LEU A 313 1.244 8.536 -8.652 1.00 0.00 C ATOM 114 CD2 LEU A 313 1.947 6.290 -9.485 1.00 0.00 C ATOM 0 H LEU A 313 0.342 6.014 -4.882 1.00 0.00 H new ATOM 0 HA LEU A 313 -0.345 8.184 -6.582 1.00 0.00 H new ATOM 0 HB2 LEU A 313 1.706 6.712 -6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 313 0.696 5.403 -7.313 1.00 0.00 H new ATOM 0 HG LEU A 313 -0.092 6.936 -9.192 1.00 0.00 H new ATOM 0 HD11 LEU A 313 1.303 8.931 -9.666 1.00 0.00 H new ATOM 0 HD12 LEU A 313 0.483 9.081 -8.094 1.00 0.00 H new ATOM 0 HD13 LEU A 313 2.209 8.655 -8.160 1.00 0.00 H new ATOM 0 HD21 LEU A 313 2.010 6.689 -10.498 1.00 0.00 H new ATOM 0 HD22 LEU A 313 2.911 6.406 -8.989 1.00 0.00 H new ATOM 0 HD23 LEU A 313 1.685 5.233 -9.527 1.00 0.00 H new ATOM 126 N LEU A 314 -2.207 5.514 -6.896 1.00 0.00 N ATOM 127 CA LEU A 314 -3.444 5.009 -7.543 1.00 0.00 C ATOM 128 C LEU A 314 -4.617 5.969 -7.303 1.00 0.00 C ATOM 129 O LEU A 314 -5.507 6.073 -8.123 1.00 0.00 O ATOM 130 CB LEU A 314 -3.769 3.621 -6.984 1.00 0.00 C ATOM 131 CG LEU A 314 -2.558 2.693 -7.170 1.00 0.00 C ATOM 132 CD1 LEU A 314 -2.949 1.262 -6.809 1.00 0.00 C ATOM 133 CD2 LEU A 314 -2.089 2.725 -8.628 1.00 0.00 C ATOM 0 H LEU A 314 -1.814 4.903 -6.180 1.00 0.00 H new ATOM 0 HA LEU A 314 -3.283 4.942 -8.619 1.00 0.00 H new ATOM 0 HB2 LEU A 314 -4.025 3.694 -5.927 1.00 0.00 H new ATOM 0 HB3 LEU A 314 -4.639 3.207 -7.494 1.00 0.00 H new ATOM 0 HG LEU A 314 -1.752 3.035 -6.521 1.00 0.00 H new ATOM 0 HD11 LEU A 314 -2.089 0.605 -6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 314 -3.277 1.225 -5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 314 -3.761 0.932 -7.457 1.00 0.00 H new ATOM 0 HD21 LEU A 314 -1.231 2.064 -8.749 1.00 0.00 H new ATOM 0 HD22 LEU A 314 -2.898 2.391 -9.278 1.00 0.00 H new ATOM 0 HD23 LEU A 314 -1.804 3.742 -8.896 1.00 0.00 H new ATOM 145 N CYS A 315 -4.643 6.670 -6.201 1.00 0.00 N ATOM 146 CA CYS A 315 -5.787 7.602 -5.964 1.00 0.00 C ATOM 147 C CYS A 315 -5.373 8.760 -5.047 1.00 0.00 C ATOM 148 O CYS A 315 -6.187 9.313 -4.335 1.00 0.00 O ATOM 149 CB CYS A 315 -6.943 6.833 -5.325 1.00 0.00 C ATOM 150 SG CYS A 315 -6.673 6.710 -3.541 1.00 0.00 S ATOM 0 H CYS A 315 -3.936 6.641 -5.466 1.00 0.00 H new ATOM 0 HA CYS A 315 -6.099 8.018 -6.922 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -7.887 7.340 -5.527 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -7.017 5.837 -5.762 1.00 0.00 H new ATOM 155 N GLY A 316 -4.125 9.145 -5.062 1.00 0.00 N ATOM 156 CA GLY A 316 -3.686 10.275 -4.194 1.00 0.00 C ATOM 157 C GLY A 316 -4.226 10.073 -2.778 1.00 0.00 C ATOM 158 O GLY A 316 -5.356 10.403 -2.478 1.00 0.00 O ATOM 0 H GLY A 316 -3.393 8.727 -5.636 1.00 0.00 H new ATOM 0 HA2 GLY A 316 -2.598 10.331 -4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 316 -4.046 11.220 -4.600 1.00 0.00 H new ATOM 162 N SER A 317 -3.427 9.520 -1.911 1.00 0.00 N ATOM 163 CA SER A 317 -3.887 9.278 -0.516 1.00 0.00 C ATOM 164 C SER A 317 -4.250 10.590 0.176 1.00 0.00 C ATOM 165 O SER A 317 -3.844 11.665 -0.217 1.00 0.00 O ATOM 166 CB SER A 317 -2.783 8.600 0.292 1.00 0.00 C ATOM 167 OG SER A 317 -2.478 7.337 -0.276 1.00 0.00 O ATOM 0 H SER A 317 -2.471 9.224 -2.109 1.00 0.00 H new ATOM 0 HA SER A 317 -4.768 8.638 -0.566 1.00 0.00 H new ATOM 0 HB2 SER A 317 -1.892 9.228 0.305 1.00 0.00 H new ATOM 0 HB3 SER A 317 -3.101 8.476 1.327 1.00 0.00 H new ATOM 0 HG SER A 317 -2.927 6.631 0.235 1.00 0.00 H new ATOM 173 N GLY A 318 -5.004 10.476 1.228 1.00 0.00 N ATOM 174 CA GLY A 318 -5.423 11.659 2.026 1.00 0.00 C ATOM 175 C GLY A 318 -5.660 11.174 3.455 1.00 0.00 C ATOM 176 O GLY A 318 -4.770 11.187 4.281 1.00 0.00 O ATOM 0 H GLY A 318 -5.358 9.586 1.579 1.00 0.00 H new ATOM 0 HA2 GLY A 318 -4.654 12.431 2.004 1.00 0.00 H new ATOM 0 HA3 GLY A 318 -6.330 12.101 1.613 1.00 0.00 H new ATOM 180 N ASN A 319 -6.842 10.703 3.737 1.00 0.00 N ATOM 181 CA ASN A 319 -7.124 10.166 5.094 1.00 0.00 C ATOM 182 C ASN A 319 -6.990 8.643 5.027 1.00 0.00 C ATOM 183 O ASN A 319 -7.182 7.939 5.998 1.00 0.00 O ATOM 184 CB ASN A 319 -8.543 10.550 5.522 1.00 0.00 C ATOM 185 CG ASN A 319 -9.563 9.789 4.672 1.00 0.00 C ATOM 186 OD1 ASN A 319 -10.376 10.390 3.997 1.00 0.00 O ATOM 187 ND2 ASN A 319 -9.560 8.484 4.679 1.00 0.00 N ATOM 0 H ASN A 319 -7.625 10.667 3.085 1.00 0.00 H new ATOM 0 HA ASN A 319 -6.425 10.578 5.822 1.00 0.00 H new ATOM 0 HB2 ASN A 319 -8.690 10.319 6.577 1.00 0.00 H new ATOM 0 HB3 ASN A 319 -8.689 11.624 5.408 1.00 0.00 H new ATOM 0 HD21 ASN A 319 -10.239 7.969 4.118 1.00 0.00 H new ATOM 0 HD22 ASN A 319 -8.878 7.979 5.245 1.00 0.00 H new ATOM 194 N ASP A 320 -6.652 8.144 3.868 1.00 0.00 N ATOM 195 CA ASP A 320 -6.485 6.680 3.677 1.00 0.00 C ATOM 196 C ASP A 320 -5.070 6.278 4.090 1.00 0.00 C ATOM 197 O ASP A 320 -4.711 5.116 4.075 1.00 0.00 O ATOM 198 CB ASP A 320 -6.705 6.338 2.203 1.00 0.00 C ATOM 199 CG ASP A 320 -8.170 6.578 1.835 1.00 0.00 C ATOM 200 OD1 ASP A 320 -8.965 6.766 2.742 1.00 0.00 O ATOM 201 OD2 ASP A 320 -8.474 6.569 0.654 1.00 0.00 O ATOM 0 H ASP A 320 -6.482 8.703 3.032 1.00 0.00 H new ATOM 0 HA ASP A 320 -7.209 6.141 4.288 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -6.057 6.951 1.576 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -6.438 5.298 2.017 1.00 0.00 H new ATOM 206 N GLU A 321 -4.257 7.235 4.440 1.00 0.00 N ATOM 207 CA GLU A 321 -2.856 6.924 4.833 1.00 0.00 C ATOM 208 C GLU A 321 -2.848 5.819 5.889 1.00 0.00 C ATOM 209 O GLU A 321 -1.910 5.053 5.990 1.00 0.00 O ATOM 210 CB GLU A 321 -2.207 8.182 5.413 1.00 0.00 C ATOM 211 CG GLU A 321 -0.738 7.900 5.722 1.00 0.00 C ATOM 212 CD GLU A 321 -0.116 9.118 6.408 1.00 0.00 C ATOM 213 OE1 GLU A 321 -0.832 10.081 6.623 1.00 0.00 O ATOM 214 OE2 GLU A 321 1.065 9.065 6.706 1.00 0.00 O ATOM 0 H GLU A 321 -4.505 8.224 4.471 1.00 0.00 H new ATOM 0 HA GLU A 321 -2.300 6.589 3.958 1.00 0.00 H new ATOM 0 HB2 GLU A 321 -2.289 9.006 4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 321 -2.728 8.488 6.320 1.00 0.00 H new ATOM 0 HG2 GLU A 321 -0.653 7.024 6.365 1.00 0.00 H new ATOM 0 HG3 GLU A 321 -0.199 7.673 4.802 1.00 0.00 H new ATOM 221 N ASP A 322 -3.883 5.720 6.673 1.00 0.00 N ATOM 222 CA ASP A 322 -3.924 4.657 7.710 1.00 0.00 C ATOM 223 C ASP A 322 -3.795 3.285 7.041 1.00 0.00 C ATOM 224 O ASP A 322 -3.177 2.383 7.570 1.00 0.00 O ATOM 225 CB ASP A 322 -5.254 4.737 8.460 1.00 0.00 C ATOM 226 CG ASP A 322 -5.303 6.031 9.276 1.00 0.00 C ATOM 227 OD1 ASP A 322 -4.270 6.666 9.406 1.00 0.00 O ATOM 228 OD2 ASP A 322 -6.373 6.364 9.756 1.00 0.00 O ATOM 0 H ASP A 322 -4.701 6.329 6.640 1.00 0.00 H new ATOM 0 HA ASP A 322 -3.100 4.796 8.410 1.00 0.00 H new ATOM 0 HB2 ASP A 322 -6.084 4.708 7.754 1.00 0.00 H new ATOM 0 HB3 ASP A 322 -5.365 3.875 9.118 1.00 0.00 H new ATOM 233 N ARG A 323 -4.377 3.121 5.881 1.00 0.00 N ATOM 234 CA ARG A 323 -4.294 1.808 5.178 1.00 0.00 C ATOM 235 C ARG A 323 -3.320 1.891 3.999 1.00 0.00 C ATOM 236 O ARG A 323 -3.248 0.993 3.185 1.00 0.00 O ATOM 237 CB ARG A 323 -5.676 1.411 4.659 1.00 0.00 C ATOM 238 CG ARG A 323 -6.606 1.139 5.841 1.00 0.00 C ATOM 239 CD ARG A 323 -7.925 0.565 5.328 1.00 0.00 C ATOM 240 NE ARG A 323 -8.577 1.549 4.419 1.00 0.00 N ATOM 241 CZ ARG A 323 -9.288 2.525 4.914 1.00 0.00 C ATOM 242 NH1 ARG A 323 -9.429 2.639 6.206 1.00 0.00 N ATOM 243 NH2 ARG A 323 -9.858 3.386 4.117 1.00 0.00 N ATOM 0 H ARG A 323 -4.907 3.841 5.390 1.00 0.00 H new ATOM 0 HA ARG A 323 -3.935 1.060 5.885 1.00 0.00 H new ATOM 0 HB2 ARG A 323 -6.085 2.207 4.037 1.00 0.00 H new ATOM 0 HB3 ARG A 323 -5.599 0.523 4.031 1.00 0.00 H new ATOM 0 HG2 ARG A 323 -6.137 0.440 6.533 1.00 0.00 H new ATOM 0 HG3 ARG A 323 -6.788 2.061 6.394 1.00 0.00 H new ATOM 0 HD2 ARG A 323 -7.745 -0.371 4.799 1.00 0.00 H new ATOM 0 HD3 ARG A 323 -8.584 0.336 6.165 1.00 0.00 H new ATOM 0 HE ARG A 323 -8.468 1.460 3.409 1.00 0.00 H new ATOM 0 HH11 ARG A 323 -8.984 1.965 6.829 1.00 0.00 H new ATOM 0 HH12 ARG A 323 -9.985 3.402 6.593 1.00 0.00 H new ATOM 0 HH21 ARG A 323 -9.748 3.296 3.107 1.00 0.00 H new ATOM 0 HH22 ARG A 323 -10.414 4.149 4.504 1.00 0.00 H new ATOM 257 N LEU A 324 -2.569 2.952 3.894 1.00 0.00 N ATOM 258 CA LEU A 324 -1.612 3.064 2.759 1.00 0.00 C ATOM 259 C LEU A 324 -0.350 2.263 3.076 1.00 0.00 C ATOM 260 O LEU A 324 0.249 2.412 4.122 1.00 0.00 O ATOM 261 CB LEU A 324 -1.250 4.536 2.535 1.00 0.00 C ATOM 262 CG LEU A 324 -0.241 4.656 1.391 1.00 0.00 C ATOM 263 CD1 LEU A 324 -0.872 4.152 0.093 1.00 0.00 C ATOM 264 CD2 LEU A 324 0.161 6.124 1.222 1.00 0.00 C ATOM 0 H LEU A 324 -2.576 3.741 4.540 1.00 0.00 H new ATOM 0 HA LEU A 324 -2.073 2.667 1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 324 -2.148 5.109 2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 324 -0.830 4.959 3.448 1.00 0.00 H new ATOM 0 HG LEU A 324 0.640 4.057 1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 324 -0.151 4.239 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 324 -1.162 3.108 0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 324 -1.754 4.749 -0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 324 0.880 6.213 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 324 -0.723 6.719 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 324 0.612 6.486 2.146 1.00 0.00 H new ATOM 276 N LEU A 325 0.049 1.403 2.176 1.00 0.00 N ATOM 277 CA LEU A 325 1.263 0.578 2.417 1.00 0.00 C ATOM 278 C LEU A 325 2.404 1.041 1.510 1.00 0.00 C ATOM 279 O LEU A 325 2.240 1.192 0.317 1.00 0.00 O ATOM 280 CB LEU A 325 0.950 -0.884 2.091 1.00 0.00 C ATOM 281 CG LEU A 325 -0.298 -1.334 2.849 1.00 0.00 C ATOM 282 CD1 LEU A 325 -0.613 -2.786 2.485 1.00 0.00 C ATOM 283 CD2 LEU A 325 -0.045 -1.229 4.355 1.00 0.00 C ATOM 0 H LEU A 325 -0.416 1.238 1.283 1.00 0.00 H new ATOM 0 HA LEU A 325 1.559 0.684 3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 325 0.796 -1.001 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 325 1.797 -1.515 2.362 1.00 0.00 H new ATOM 0 HG LEU A 325 -1.141 -0.698 2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -1.503 -3.111 3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -0.790 -2.862 1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 325 0.229 -3.421 2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -0.935 -1.550 4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 325 0.796 -1.867 4.628 1.00 0.00 H new ATOM 0 HD23 LEU A 325 0.185 -0.195 4.614 1.00 0.00 H new ATOM 295 N LEU A 326 3.572 1.227 2.062 1.00 0.00 N ATOM 296 CA LEU A 326 4.734 1.633 1.226 1.00 0.00 C ATOM 297 C LEU A 326 5.505 0.363 0.873 1.00 0.00 C ATOM 298 O LEU A 326 5.844 -0.423 1.733 1.00 0.00 O ATOM 299 CB LEU A 326 5.628 2.592 2.019 1.00 0.00 C ATOM 300 CG LEU A 326 6.836 3.011 1.173 1.00 0.00 C ATOM 301 CD1 LEU A 326 6.392 3.972 0.070 1.00 0.00 C ATOM 302 CD2 LEU A 326 7.861 3.711 2.069 1.00 0.00 C ATOM 0 H LEU A 326 3.770 1.115 3.056 1.00 0.00 H new ATOM 0 HA LEU A 326 4.406 2.144 0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 326 5.058 3.473 2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 326 5.967 2.110 2.936 1.00 0.00 H new ATOM 0 HG LEU A 326 7.282 2.125 0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 326 7.256 4.265 -0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 326 5.660 3.479 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 326 5.943 4.858 0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 326 8.722 4.011 1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 326 7.407 4.594 2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 326 8.185 3.028 2.854 1.00 0.00 H new ATOM 314 N CYS A 327 5.760 0.136 -0.383 1.00 0.00 N ATOM 315 CA CYS A 327 6.479 -1.108 -0.764 1.00 0.00 C ATOM 316 C CYS A 327 7.981 -0.859 -0.869 1.00 0.00 C ATOM 317 O CYS A 327 8.446 -0.123 -1.719 1.00 0.00 O ATOM 318 CB CYS A 327 5.953 -1.607 -2.106 1.00 0.00 C ATOM 319 SG CYS A 327 7.200 -2.657 -2.892 1.00 0.00 S ATOM 0 H CYS A 327 5.505 0.751 -1.155 1.00 0.00 H new ATOM 0 HA CYS A 327 6.305 -1.858 0.008 1.00 0.00 H new ATOM 0 HB2 CYS A 327 5.030 -2.168 -1.961 1.00 0.00 H new ATOM 0 HB3 CYS A 327 5.715 -0.762 -2.752 1.00 0.00 H new ATOM 324 N ASP A 328 8.740 -1.490 -0.012 1.00 0.00 N ATOM 325 CA ASP A 328 10.217 -1.330 -0.049 1.00 0.00 C ATOM 326 C ASP A 328 10.760 -1.964 -1.330 1.00 0.00 C ATOM 327 O ASP A 328 11.745 -1.519 -1.885 1.00 0.00 O ATOM 328 CB ASP A 328 10.837 -2.021 1.167 1.00 0.00 C ATOM 329 CG ASP A 328 10.404 -1.298 2.443 1.00 0.00 C ATOM 330 OD1 ASP A 328 9.885 -0.200 2.330 1.00 0.00 O ATOM 331 OD2 ASP A 328 10.599 -1.854 3.512 1.00 0.00 O ATOM 0 H ASP A 328 8.393 -2.114 0.717 1.00 0.00 H new ATOM 0 HA ASP A 328 10.471 -0.270 -0.029 1.00 0.00 H new ATOM 0 HB2 ASP A 328 10.524 -3.064 1.204 1.00 0.00 H new ATOM 0 HB3 ASP A 328 11.924 -2.017 1.085 1.00 0.00 H new ATOM 336 N GLY A 329 10.126 -3.006 -1.806 1.00 0.00 N ATOM 337 CA GLY A 329 10.616 -3.663 -3.052 1.00 0.00 C ATOM 338 C GLY A 329 10.857 -2.594 -4.113 1.00 0.00 C ATOM 339 O GLY A 329 11.771 -2.685 -4.910 1.00 0.00 O ATOM 0 H GLY A 329 9.296 -3.427 -1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 329 11.537 -4.210 -2.852 1.00 0.00 H new ATOM 0 HA3 GLY A 329 9.885 -4.389 -3.408 1.00 0.00 H new ATOM 343 N CYS A 330 10.051 -1.572 -4.118 1.00 0.00 N ATOM 344 CA CYS A 330 10.229 -0.477 -5.111 1.00 0.00 C ATOM 345 C CYS A 330 9.916 0.856 -4.433 1.00 0.00 C ATOM 346 O CYS A 330 10.270 1.076 -3.292 1.00 0.00 O ATOM 347 CB CYS A 330 9.288 -0.694 -6.299 1.00 0.00 C ATOM 348 SG CYS A 330 7.575 -0.425 -5.780 1.00 0.00 S ATOM 0 H CYS A 330 9.271 -1.446 -3.473 1.00 0.00 H new ATOM 0 HA CYS A 330 11.256 -0.472 -5.477 1.00 0.00 H new ATOM 0 HB2 CYS A 330 9.544 -0.010 -7.108 1.00 0.00 H new ATOM 0 HB3 CYS A 330 9.405 -1.705 -6.688 1.00 0.00 H new ATOM 353 N ASP A 331 9.257 1.748 -5.118 1.00 0.00 N ATOM 354 CA ASP A 331 8.926 3.062 -4.503 1.00 0.00 C ATOM 355 C ASP A 331 7.486 3.438 -4.855 1.00 0.00 C ATOM 356 O ASP A 331 7.238 4.446 -5.487 1.00 0.00 O ATOM 357 CB ASP A 331 9.878 4.133 -5.039 1.00 0.00 C ATOM 358 CG ASP A 331 11.298 3.849 -4.545 1.00 0.00 C ATOM 359 OD1 ASP A 331 11.440 3.035 -3.648 1.00 0.00 O ATOM 360 OD2 ASP A 331 12.219 4.451 -5.071 1.00 0.00 O ATOM 0 H ASP A 331 8.933 1.623 -6.077 1.00 0.00 H new ATOM 0 HA ASP A 331 9.032 2.993 -3.420 1.00 0.00 H new ATOM 0 HB2 ASP A 331 9.856 4.142 -6.129 1.00 0.00 H new ATOM 0 HB3 ASP A 331 9.556 5.120 -4.706 1.00 0.00 H new ATOM 365 N ASP A 332 6.534 2.639 -4.457 1.00 0.00 N ATOM 366 CA ASP A 332 5.116 2.964 -4.782 1.00 0.00 C ATOM 367 C ASP A 332 4.214 2.619 -3.595 1.00 0.00 C ATOM 368 O ASP A 332 4.376 1.596 -2.958 1.00 0.00 O ATOM 369 CB ASP A 332 4.677 2.154 -6.004 1.00 0.00 C ATOM 370 CG ASP A 332 3.277 2.596 -6.434 1.00 0.00 C ATOM 371 OD1 ASP A 332 3.181 3.576 -7.153 1.00 0.00 O ATOM 372 OD2 ASP A 332 2.323 1.947 -6.035 1.00 0.00 O ATOM 0 H ASP A 332 6.675 1.781 -3.924 1.00 0.00 H new ATOM 0 HA ASP A 332 5.034 4.030 -4.996 1.00 0.00 H new ATOM 0 HB2 ASP A 332 5.383 2.299 -6.822 1.00 0.00 H new ATOM 0 HB3 ASP A 332 4.677 1.090 -5.767 1.00 0.00 H new ATOM 377 N SER A 333 3.262 3.466 -3.299 1.00 0.00 N ATOM 378 CA SER A 333 2.341 3.195 -2.159 1.00 0.00 C ATOM 379 C SER A 333 0.913 3.018 -2.678 1.00 0.00 C ATOM 380 O SER A 333 0.476 3.698 -3.591 1.00 0.00 O ATOM 381 CB SER A 333 2.379 4.368 -1.185 1.00 0.00 C ATOM 382 OG SER A 333 3.665 4.438 -0.585 1.00 0.00 O ATOM 0 H SER A 333 3.084 4.336 -3.801 1.00 0.00 H new ATOM 0 HA SER A 333 2.658 2.284 -1.651 1.00 0.00 H new ATOM 0 HB2 SER A 333 2.158 5.298 -1.709 1.00 0.00 H new ATOM 0 HB3 SER A 333 1.614 4.244 -0.419 1.00 0.00 H new ATOM 0 HG SER A 333 4.118 5.257 -0.876 1.00 0.00 H new ATOM 388 N TYR A 334 0.183 2.110 -2.088 1.00 0.00 N ATOM 389 CA TYR A 334 -1.221 1.863 -2.516 1.00 0.00 C ATOM 390 C TYR A 334 -2.063 1.483 -1.297 1.00 0.00 C ATOM 391 O TYR A 334 -1.543 1.047 -0.288 1.00 0.00 O ATOM 392 CB TYR A 334 -1.253 0.724 -3.532 1.00 0.00 C ATOM 393 CG TYR A 334 -0.491 -0.453 -2.985 1.00 0.00 C ATOM 394 CD1 TYR A 334 -1.080 -1.281 -2.026 1.00 0.00 C ATOM 395 CD2 TYR A 334 0.803 -0.717 -3.443 1.00 0.00 C ATOM 396 CE1 TYR A 334 -0.372 -2.379 -1.522 1.00 0.00 C ATOM 397 CE2 TYR A 334 1.513 -1.814 -2.939 1.00 0.00 C ATOM 398 CZ TYR A 334 0.924 -2.645 -1.978 1.00 0.00 C ATOM 399 OH TYR A 334 1.623 -3.726 -1.481 1.00 0.00 O ATOM 0 H TYR A 334 0.505 1.523 -1.319 1.00 0.00 H new ATOM 0 HA TYR A 334 -1.626 2.766 -2.973 1.00 0.00 H new ATOM 0 HB2 TYR A 334 -2.284 0.438 -3.743 1.00 0.00 H new ATOM 0 HB3 TYR A 334 -0.813 1.050 -4.475 1.00 0.00 H new ATOM 0 HD1 TYR A 334 -2.080 -1.074 -1.674 1.00 0.00 H new ATOM 0 HD2 TYR A 334 1.255 -0.075 -4.185 1.00 0.00 H new ATOM 0 HE1 TYR A 334 -0.826 -3.021 -0.781 1.00 0.00 H new ATOM 0 HE2 TYR A 334 2.513 -2.019 -3.291 1.00 0.00 H new ATOM 0 HH TYR A 334 2.506 -3.767 -1.904 1.00 0.00 H new ATOM 409 N HIS A 335 -3.356 1.643 -1.375 1.00 0.00 N ATOM 410 CA HIS A 335 -4.210 1.287 -0.209 1.00 0.00 C ATOM 411 C HIS A 335 -4.553 -0.204 -0.257 1.00 0.00 C ATOM 412 O HIS A 335 -4.376 -0.862 -1.262 1.00 0.00 O ATOM 413 CB HIS A 335 -5.505 2.101 -0.230 1.00 0.00 C ATOM 414 CG HIS A 335 -5.182 3.564 -0.140 1.00 0.00 C ATOM 415 ND1 HIS A 335 -5.617 4.474 -1.091 1.00 0.00 N ATOM 416 CD2 HIS A 335 -4.473 4.295 0.782 1.00 0.00 C ATOM 417 CE1 HIS A 335 -5.171 5.689 -0.725 1.00 0.00 C ATOM 418 NE2 HIS A 335 -4.469 5.633 0.408 1.00 0.00 N ATOM 0 H HIS A 335 -3.854 2.002 -2.190 1.00 0.00 H new ATOM 0 HA HIS A 335 -3.661 1.511 0.706 1.00 0.00 H new ATOM 0 HB2 HIS A 335 -6.060 1.897 -1.146 1.00 0.00 H new ATOM 0 HB3 HIS A 335 -6.144 1.808 0.603 1.00 0.00 H new ATOM 0 HD2 HIS A 335 -3.993 3.892 1.662 1.00 0.00 H new ATOM 0 HE1 HIS A 335 -5.358 6.597 -1.279 1.00 0.00 H new ATOM 0 HE2 HIS A 335 -4.023 6.409 0.897 1.00 0.00 H new ATOM 426 N THR A 336 -5.040 -0.735 0.829 1.00 0.00 N ATOM 427 CA THR A 336 -5.398 -2.178 0.871 1.00 0.00 C ATOM 428 C THR A 336 -6.548 -2.460 -0.099 1.00 0.00 C ATOM 429 O THR A 336 -6.862 -3.599 -0.376 1.00 0.00 O ATOM 430 CB THR A 336 -5.833 -2.537 2.292 1.00 0.00 C ATOM 431 OG1 THR A 336 -7.010 -1.812 2.621 1.00 0.00 O ATOM 432 CG2 THR A 336 -4.719 -2.180 3.277 1.00 0.00 C ATOM 0 H THR A 336 -5.206 -0.225 1.697 1.00 0.00 H new ATOM 0 HA THR A 336 -4.535 -2.776 0.581 1.00 0.00 H new ATOM 0 HB THR A 336 -6.035 -3.607 2.351 1.00 0.00 H new ATOM 0 HG1 THR A 336 -6.769 -0.898 2.881 1.00 0.00 H new ATOM 0 HG21 THR A 336 -5.032 -2.437 4.289 1.00 0.00 H new ATOM 0 HG22 THR A 336 -3.817 -2.737 3.024 1.00 0.00 H new ATOM 0 HG23 THR A 336 -4.513 -1.111 3.221 1.00 0.00 H new ATOM 440 N PHE A 337 -7.180 -1.435 -0.610 1.00 0.00 N ATOM 441 CA PHE A 337 -8.318 -1.648 -1.551 1.00 0.00 C ATOM 442 C PHE A 337 -8.021 -0.990 -2.901 1.00 0.00 C ATOM 443 O PHE A 337 -8.827 -1.035 -3.810 1.00 0.00 O ATOM 444 CB PHE A 337 -9.586 -1.035 -0.952 1.00 0.00 C ATOM 445 CG PHE A 337 -9.372 0.441 -0.716 1.00 0.00 C ATOM 446 CD1 PHE A 337 -8.822 0.882 0.494 1.00 0.00 C ATOM 447 CD2 PHE A 337 -9.721 1.368 -1.705 1.00 0.00 C ATOM 448 CE1 PHE A 337 -8.623 2.249 0.715 1.00 0.00 C ATOM 449 CE2 PHE A 337 -9.522 2.736 -1.484 1.00 0.00 C ATOM 450 CZ PHE A 337 -8.973 3.177 -0.274 1.00 0.00 C ATOM 0 H PHE A 337 -6.956 -0.459 -0.415 1.00 0.00 H new ATOM 0 HA PHE A 337 -8.459 -2.718 -1.705 1.00 0.00 H new ATOM 0 HB2 PHE A 337 -10.429 -1.187 -1.626 1.00 0.00 H new ATOM 0 HB3 PHE A 337 -9.834 -1.531 -0.014 1.00 0.00 H new ATOM 0 HD1 PHE A 337 -8.551 0.167 1.257 1.00 0.00 H new ATOM 0 HD2 PHE A 337 -10.144 1.028 -2.639 1.00 0.00 H new ATOM 0 HE1 PHE A 337 -8.199 2.589 1.648 1.00 0.00 H new ATOM 0 HE2 PHE A 337 -9.792 3.451 -2.247 1.00 0.00 H new ATOM 0 HZ PHE A 337 -8.819 4.232 -0.103 1.00 0.00 H new ATOM 460 N CYS A 338 -6.878 -0.379 -3.046 1.00 0.00 N ATOM 461 CA CYS A 338 -6.551 0.277 -4.344 1.00 0.00 C ATOM 462 C CYS A 338 -5.774 -0.690 -5.237 1.00 0.00 C ATOM 463 O CYS A 338 -5.519 -0.408 -6.390 1.00 0.00 O ATOM 464 CB CYS A 338 -5.687 1.516 -4.097 1.00 0.00 C ATOM 465 SG CYS A 338 -6.736 2.989 -4.027 1.00 0.00 S ATOM 0 H CYS A 338 -6.159 -0.305 -2.326 1.00 0.00 H new ATOM 0 HA CYS A 338 -7.482 0.564 -4.833 1.00 0.00 H new ATOM 0 HB2 CYS A 338 -5.136 1.406 -3.163 1.00 0.00 H new ATOM 0 HB3 CYS A 338 -4.949 1.621 -4.892 1.00 0.00 H new ATOM 470 N LEU A 339 -5.374 -1.820 -4.721 1.00 0.00 N ATOM 471 CA LEU A 339 -4.595 -2.765 -5.566 1.00 0.00 C ATOM 472 C LEU A 339 -4.768 -4.205 -5.079 1.00 0.00 C ATOM 473 O LEU A 339 -4.713 -5.138 -5.855 1.00 0.00 O ATOM 474 CB LEU A 339 -3.117 -2.381 -5.488 1.00 0.00 C ATOM 475 CG LEU A 339 -2.316 -3.207 -6.494 1.00 0.00 C ATOM 476 CD1 LEU A 339 -2.666 -2.768 -7.919 1.00 0.00 C ATOM 477 CD2 LEU A 339 -0.825 -2.986 -6.244 1.00 0.00 C ATOM 0 H LEU A 339 -5.550 -2.126 -3.764 1.00 0.00 H new ATOM 0 HA LEU A 339 -4.956 -2.705 -6.593 1.00 0.00 H new ATOM 0 HB2 LEU A 339 -2.996 -1.318 -5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 339 -2.740 -2.552 -4.480 1.00 0.00 H new ATOM 0 HG LEU A 339 -2.559 -4.263 -6.376 1.00 0.00 H new ATOM 0 HD11 LEU A 339 -2.093 -3.359 -8.633 1.00 0.00 H new ATOM 0 HD12 LEU A 339 -3.731 -2.919 -8.095 1.00 0.00 H new ATOM 0 HD13 LEU A 339 -2.424 -1.713 -8.045 1.00 0.00 H new ATOM 0 HD21 LEU A 339 -0.246 -3.572 -6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 339 -0.588 -1.929 -6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 339 -0.576 -3.299 -5.230 1.00 0.00 H new ATOM 489 N ILE A 340 -4.957 -4.398 -3.803 1.00 0.00 N ATOM 490 CA ILE A 340 -5.108 -5.779 -3.271 1.00 0.00 C ATOM 491 C ILE A 340 -6.550 -5.995 -2.791 1.00 0.00 C ATOM 492 O ILE A 340 -7.190 -5.081 -2.312 1.00 0.00 O ATOM 493 CB ILE A 340 -4.135 -5.946 -2.107 1.00 0.00 C ATOM 494 CG1 ILE A 340 -4.611 -5.111 -0.917 1.00 0.00 C ATOM 495 CG2 ILE A 340 -2.746 -5.467 -2.534 1.00 0.00 C ATOM 496 CD1 ILE A 340 -3.536 -5.112 0.171 1.00 0.00 C ATOM 0 H ILE A 340 -5.013 -3.656 -3.105 1.00 0.00 H new ATOM 0 HA ILE A 340 -4.891 -6.513 -4.047 1.00 0.00 H new ATOM 0 HB ILE A 340 -4.091 -6.997 -1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 340 -4.819 -4.090 -1.236 1.00 0.00 H new ATOM 0 HG13 ILE A 340 -5.542 -5.518 -0.523 1.00 0.00 H new ATOM 0 HG21 ILE A 340 -2.049 -5.585 -1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 340 -2.403 -6.058 -3.383 1.00 0.00 H new ATOM 0 HG23 ILE A 340 -2.795 -4.416 -2.819 1.00 0.00 H new ATOM 0 HD11 ILE A 340 -3.876 -4.517 1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 340 -3.350 -6.135 0.497 1.00 0.00 H new ATOM 0 HD13 ILE A 340 -2.615 -4.685 -0.227 1.00 0.00 H new ATOM 508 N PRO A 341 -7.061 -7.203 -2.912 1.00 0.00 N ATOM 509 CA PRO A 341 -8.444 -7.522 -2.475 1.00 0.00 C ATOM 510 C PRO A 341 -8.746 -6.987 -1.068 1.00 0.00 C ATOM 511 O PRO A 341 -9.745 -6.327 -0.867 1.00 0.00 O ATOM 512 CB PRO A 341 -8.543 -9.052 -2.517 1.00 0.00 C ATOM 513 CG PRO A 341 -7.242 -9.570 -3.053 1.00 0.00 C ATOM 514 CD PRO A 341 -6.379 -8.376 -3.471 1.00 0.00 C ATOM 0 HA PRO A 341 -9.178 -7.047 -3.126 1.00 0.00 H new ATOM 0 HB2 PRO A 341 -8.735 -9.452 -1.521 1.00 0.00 H new ATOM 0 HB3 PRO A 341 -9.372 -9.366 -3.151 1.00 0.00 H new ATOM 0 HG2 PRO A 341 -6.729 -10.162 -2.295 1.00 0.00 H new ATOM 0 HG3 PRO A 341 -7.418 -10.227 -3.905 1.00 0.00 H new ATOM 0 HD2 PRO A 341 -5.365 -8.466 -3.082 1.00 0.00 H new ATOM 0 HD3 PRO A 341 -6.299 -8.307 -4.556 1.00 0.00 H new ATOM 522 N PRO A 342 -7.892 -7.246 -0.097 1.00 0.00 N ATOM 523 CA PRO A 342 -8.094 -6.748 1.286 1.00 0.00 C ATOM 524 C PRO A 342 -8.739 -5.357 1.314 1.00 0.00 C ATOM 525 O PRO A 342 -8.756 -4.652 0.328 1.00 0.00 O ATOM 526 CB PRO A 342 -6.675 -6.696 1.842 1.00 0.00 C ATOM 527 CG PRO A 342 -5.937 -7.791 1.144 1.00 0.00 C ATOM 528 CD PRO A 342 -6.651 -8.042 -0.190 1.00 0.00 C ATOM 0 HA PRO A 342 -8.770 -7.381 1.861 1.00 0.00 H new ATOM 0 HB2 PRO A 342 -6.213 -5.727 1.652 1.00 0.00 H new ATOM 0 HB3 PRO A 342 -6.670 -6.845 2.922 1.00 0.00 H new ATOM 0 HG2 PRO A 342 -4.898 -7.508 0.977 1.00 0.00 H new ATOM 0 HG3 PRO A 342 -5.927 -8.696 1.751 1.00 0.00 H new ATOM 0 HD2 PRO A 342 -6.038 -7.726 -1.034 1.00 0.00 H new ATOM 0 HD3 PRO A 342 -6.868 -9.101 -0.332 1.00 0.00 H new ATOM 536 N LEU A 343 -9.277 -4.965 2.436 1.00 0.00 N ATOM 537 CA LEU A 343 -9.929 -3.629 2.531 1.00 0.00 C ATOM 538 C LEU A 343 -9.435 -2.892 3.773 1.00 0.00 C ATOM 539 O LEU A 343 -9.312 -1.682 3.779 1.00 0.00 O ATOM 540 CB LEU A 343 -11.444 -3.809 2.637 1.00 0.00 C ATOM 541 CG LEU A 343 -11.973 -4.507 1.383 1.00 0.00 C ATOM 542 CD1 LEU A 343 -13.470 -4.778 1.545 1.00 0.00 C ATOM 543 CD2 LEU A 343 -11.754 -3.607 0.164 1.00 0.00 C ATOM 0 H LEU A 343 -9.293 -5.515 3.295 1.00 0.00 H new ATOM 0 HA LEU A 343 -9.680 -3.051 1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 343 -11.688 -4.397 3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 343 -11.927 -2.839 2.755 1.00 0.00 H new ATOM 0 HG LEU A 343 -11.442 -5.448 1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 343 -13.848 -5.275 0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 343 -13.632 -5.417 2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 343 -13.997 -3.835 1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 343 -12.131 -4.106 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 343 -12.286 -2.666 0.306 1.00 0.00 H new ATOM 0 HD23 LEU A 343 -10.689 -3.408 0.046 1.00 0.00 H new ATOM 555 N HIS A 344 -9.170 -3.607 4.829 1.00 0.00 N ATOM 556 CA HIS A 344 -8.705 -2.945 6.078 1.00 0.00 C ATOM 557 C HIS A 344 -7.207 -3.176 6.259 1.00 0.00 C ATOM 558 O HIS A 344 -6.564 -3.819 5.455 1.00 0.00 O ATOM 559 CB HIS A 344 -9.464 -3.528 7.271 1.00 0.00 C ATOM 560 CG HIS A 344 -10.939 -3.307 7.079 1.00 0.00 C ATOM 561 ND1 HIS A 344 -11.888 -3.884 7.912 1.00 0.00 N ATOM 562 CD2 HIS A 344 -11.648 -2.578 6.152 1.00 0.00 C ATOM 563 CE1 HIS A 344 -13.102 -3.498 7.475 1.00 0.00 C ATOM 564 NE2 HIS A 344 -13.009 -2.702 6.407 1.00 0.00 N ATOM 0 H HIS A 344 -9.255 -4.622 4.881 1.00 0.00 H new ATOM 0 HA HIS A 344 -8.894 -1.874 6.013 1.00 0.00 H new ATOM 0 HB2 HIS A 344 -9.254 -4.593 7.365 1.00 0.00 H new ATOM 0 HB3 HIS A 344 -9.131 -3.055 8.195 1.00 0.00 H new ATOM 0 HD2 HIS A 344 -11.214 -1.999 5.350 1.00 0.00 H new ATOM 0 HE1 HIS A 344 -14.035 -3.795 7.932 1.00 0.00 H new ATOM 0 HE2 HIS A 344 -13.776 -2.275 5.887 1.00 0.00 H new ATOM 573 N ASP A 345 -6.644 -2.647 7.309 1.00 0.00 N ATOM 574 CA ASP A 345 -5.184 -2.827 7.540 1.00 0.00 C ATOM 575 C ASP A 345 -4.938 -4.177 8.211 1.00 0.00 C ATOM 576 O ASP A 345 -5.275 -4.383 9.360 1.00 0.00 O ATOM 577 CB ASP A 345 -4.666 -1.709 8.448 1.00 0.00 C ATOM 578 CG ASP A 345 -3.147 -1.822 8.582 1.00 0.00 C ATOM 579 OD1 ASP A 345 -2.573 -2.659 7.905 1.00 0.00 O ATOM 580 OD2 ASP A 345 -2.583 -1.070 9.359 1.00 0.00 O ATOM 0 H ASP A 345 -7.132 -2.098 8.017 1.00 0.00 H new ATOM 0 HA ASP A 345 -4.660 -2.792 6.585 1.00 0.00 H new ATOM 0 HB2 ASP A 345 -4.934 -0.737 8.034 1.00 0.00 H new ATOM 0 HB3 ASP A 345 -5.134 -1.777 9.430 1.00 0.00 H new ATOM 585 N VAL A 346 -4.348 -5.098 7.498 1.00 0.00 N ATOM 586 CA VAL A 346 -4.071 -6.440 8.078 1.00 0.00 C ATOM 587 C VAL A 346 -2.554 -6.608 8.262 1.00 0.00 C ATOM 588 O VAL A 346 -1.779 -6.135 7.456 1.00 0.00 O ATOM 589 CB VAL A 346 -4.600 -7.515 7.129 1.00 0.00 C ATOM 590 CG1 VAL A 346 -5.890 -8.109 7.698 1.00 0.00 C ATOM 591 CG2 VAL A 346 -4.893 -6.887 5.764 1.00 0.00 C ATOM 0 H VAL A 346 -4.045 -4.976 6.532 1.00 0.00 H new ATOM 0 HA VAL A 346 -4.564 -6.537 9.045 1.00 0.00 H new ATOM 0 HB VAL A 346 -3.853 -8.302 7.019 1.00 0.00 H new ATOM 0 HG11 VAL A 346 -6.267 -8.876 7.021 1.00 0.00 H new ATOM 0 HG12 VAL A 346 -5.687 -8.553 8.672 1.00 0.00 H new ATOM 0 HG13 VAL A 346 -6.636 -7.322 7.806 1.00 0.00 H new ATOM 0 HG21 VAL A 346 -5.270 -7.652 5.085 1.00 0.00 H new ATOM 0 HG22 VAL A 346 -5.640 -6.102 5.878 1.00 0.00 H new ATOM 0 HG23 VAL A 346 -3.977 -6.460 5.356 1.00 0.00 H new ATOM 601 N PRO A 347 -2.127 -7.271 9.310 1.00 0.00 N ATOM 602 CA PRO A 347 -0.675 -7.486 9.583 1.00 0.00 C ATOM 603 C PRO A 347 0.001 -8.329 8.495 1.00 0.00 C ATOM 604 O PRO A 347 -0.560 -9.288 8.003 1.00 0.00 O ATOM 605 CB PRO A 347 -0.642 -8.222 10.926 1.00 0.00 C ATOM 606 CG PRO A 347 -2.008 -8.798 11.106 1.00 0.00 C ATOM 607 CD PRO A 347 -2.971 -7.890 10.345 1.00 0.00 C ATOM 0 HA PRO A 347 -0.131 -6.541 9.600 1.00 0.00 H new ATOM 0 HB2 PRO A 347 0.116 -9.005 10.924 1.00 0.00 H new ATOM 0 HB3 PRO A 347 -0.394 -7.540 11.740 1.00 0.00 H new ATOM 0 HG2 PRO A 347 -2.052 -9.817 10.722 1.00 0.00 H new ATOM 0 HG3 PRO A 347 -2.273 -8.844 12.162 1.00 0.00 H new ATOM 0 HD2 PRO A 347 -3.792 -8.457 9.905 1.00 0.00 H new ATOM 0 HD3 PRO A 347 -3.416 -7.140 11.000 1.00 0.00 H new ATOM 615 N LYS A 348 1.201 -7.980 8.119 1.00 0.00 N ATOM 616 CA LYS A 348 1.909 -8.764 7.068 1.00 0.00 C ATOM 617 C LYS A 348 3.404 -8.443 7.122 1.00 0.00 C ATOM 618 O LYS A 348 3.827 -7.508 7.771 1.00 0.00 O ATOM 619 CB LYS A 348 1.357 -8.387 5.691 1.00 0.00 C ATOM 620 CG LYS A 348 1.698 -9.478 4.672 1.00 0.00 C ATOM 621 CD LYS A 348 1.129 -9.094 3.305 1.00 0.00 C ATOM 622 CE LYS A 348 1.325 -10.254 2.327 1.00 0.00 C ATOM 623 NZ LYS A 348 0.577 -11.448 2.816 1.00 0.00 N ATOM 0 H LYS A 348 1.721 -7.187 8.494 1.00 0.00 H new ATOM 0 HA LYS A 348 1.756 -9.829 7.240 1.00 0.00 H new ATOM 0 HB2 LYS A 348 0.276 -8.256 5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 348 1.778 -7.434 5.370 1.00 0.00 H new ATOM 0 HG2 LYS A 348 2.779 -9.604 4.606 1.00 0.00 H new ATOM 0 HG3 LYS A 348 1.285 -10.434 4.994 1.00 0.00 H new ATOM 0 HD2 LYS A 348 0.069 -8.855 3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 348 1.627 -8.200 2.930 1.00 0.00 H new ATOM 0 HE2 LYS A 348 0.972 -9.971 1.335 1.00 0.00 H new ATOM 0 HE3 LYS A 348 2.385 -10.489 2.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 348 0.347 -12.067 2.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 348 1.164 -11.970 3.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 348 -0.302 -11.141 3.279 1.00 0.00 H new ATOM 637 N GLY A 349 4.204 -9.211 6.440 1.00 0.00 N ATOM 638 CA GLY A 349 5.673 -8.955 6.442 1.00 0.00 C ATOM 639 C GLY A 349 5.968 -7.687 5.640 1.00 0.00 C ATOM 640 O GLY A 349 5.319 -6.673 5.804 1.00 0.00 O ATOM 0 H GLY A 349 3.905 -10.008 5.879 1.00 0.00 H new ATOM 0 HA2 GLY A 349 6.033 -8.844 7.465 1.00 0.00 H new ATOM 0 HA3 GLY A 349 6.202 -9.804 6.009 1.00 0.00 H new ATOM 644 N ASP A 350 6.937 -7.736 4.770 1.00 0.00 N ATOM 645 CA ASP A 350 7.266 -6.536 3.953 1.00 0.00 C ATOM 646 C ASP A 350 6.223 -6.393 2.845 1.00 0.00 C ATOM 647 O ASP A 350 6.015 -7.295 2.058 1.00 0.00 O ATOM 648 CB ASP A 350 8.655 -6.700 3.334 1.00 0.00 C ATOM 649 CG ASP A 350 9.045 -5.413 2.606 1.00 0.00 C ATOM 650 OD1 ASP A 350 8.299 -4.452 2.702 1.00 0.00 O ATOM 651 OD2 ASP A 350 10.083 -5.410 1.965 1.00 0.00 O ATOM 0 H ASP A 350 7.516 -8.556 4.589 1.00 0.00 H new ATOM 0 HA ASP A 350 7.261 -5.647 4.583 1.00 0.00 H new ATOM 0 HB2 ASP A 350 9.386 -6.927 4.110 1.00 0.00 H new ATOM 0 HB3 ASP A 350 8.658 -7.539 2.638 1.00 0.00 H new ATOM 656 N TRP A 351 5.557 -5.275 2.782 1.00 0.00 N ATOM 657 CA TRP A 351 4.519 -5.091 1.730 1.00 0.00 C ATOM 658 C TRP A 351 5.187 -4.949 0.361 1.00 0.00 C ATOM 659 O TRP A 351 6.018 -4.092 0.149 1.00 0.00 O ATOM 660 CB TRP A 351 3.708 -3.829 2.032 1.00 0.00 C ATOM 661 CG TRP A 351 2.977 -4.004 3.324 1.00 0.00 C ATOM 662 CD1 TRP A 351 3.333 -3.438 4.499 1.00 0.00 C ATOM 663 CD2 TRP A 351 1.775 -4.783 3.592 1.00 0.00 C ATOM 664 NE1 TRP A 351 2.428 -3.820 5.472 1.00 0.00 N ATOM 665 CE2 TRP A 351 1.448 -4.649 4.961 1.00 0.00 C ATOM 666 CE3 TRP A 351 0.946 -5.585 2.787 1.00 0.00 C ATOM 667 CZ2 TRP A 351 0.338 -5.288 5.514 1.00 0.00 C ATOM 668 CZ3 TRP A 351 -0.172 -6.229 3.340 1.00 0.00 C ATOM 669 CH2 TRP A 351 -0.476 -6.081 4.701 1.00 0.00 C ATOM 0 H TRP A 351 5.685 -4.483 3.411 1.00 0.00 H new ATOM 0 HA TRP A 351 3.859 -5.959 1.720 1.00 0.00 H new ATOM 0 HB2 TRP A 351 4.369 -2.964 2.090 1.00 0.00 H new ATOM 0 HB3 TRP A 351 3.001 -3.636 1.225 1.00 0.00 H new ATOM 0 HD1 TRP A 351 4.185 -2.793 4.653 1.00 0.00 H new ATOM 0 HE1 TRP A 351 2.478 -3.526 6.447 1.00 0.00 H new ATOM 0 HE3 TRP A 351 1.171 -5.706 1.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 351 0.109 -5.171 6.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 351 -0.802 -6.842 2.713 1.00 0.00 H new ATOM 0 HH2 TRP A 351 -1.338 -6.579 5.120 1.00 0.00 H new ATOM 680 N ARG A 352 4.820 -5.784 -0.568 1.00 0.00 N ATOM 681 CA ARG A 352 5.412 -5.708 -1.932 1.00 0.00 C ATOM 682 C ARG A 352 4.294 -5.693 -2.971 1.00 0.00 C ATOM 683 O ARG A 352 3.350 -6.454 -2.892 1.00 0.00 O ATOM 684 CB ARG A 352 6.312 -6.920 -2.173 1.00 0.00 C ATOM 685 CG ARG A 352 7.543 -6.831 -1.272 1.00 0.00 C ATOM 686 CD ARG A 352 8.528 -7.931 -1.661 1.00 0.00 C ATOM 687 NE ARG A 352 9.678 -7.930 -0.714 1.00 0.00 N ATOM 688 CZ ARG A 352 9.554 -8.486 0.461 1.00 0.00 C ATOM 689 NH1 ARG A 352 8.424 -9.042 0.805 1.00 0.00 N ATOM 690 NH2 ARG A 352 10.561 -8.486 1.291 1.00 0.00 N ATOM 0 H ARG A 352 4.129 -6.523 -0.440 1.00 0.00 H new ATOM 0 HA ARG A 352 6.004 -4.797 -2.017 1.00 0.00 H new ATOM 0 HB2 ARG A 352 5.764 -7.839 -1.967 1.00 0.00 H new ATOM 0 HB3 ARG A 352 6.616 -6.958 -3.219 1.00 0.00 H new ATOM 0 HG2 ARG A 352 8.013 -5.853 -1.373 1.00 0.00 H new ATOM 0 HG3 ARG A 352 7.253 -6.939 -0.227 1.00 0.00 H new ATOM 0 HD2 ARG A 352 8.031 -8.901 -1.644 1.00 0.00 H new ATOM 0 HD3 ARG A 352 8.882 -7.772 -2.679 1.00 0.00 H new ATOM 0 HE ARG A 352 10.561 -7.496 -0.983 1.00 0.00 H new ATOM 0 HH11 ARG A 352 7.637 -9.042 0.156 1.00 0.00 H new ATOM 0 HH12 ARG A 352 8.328 -9.476 1.723 1.00 0.00 H new ATOM 0 HH21 ARG A 352 11.444 -8.052 1.022 1.00 0.00 H new ATOM 0 HH22 ARG A 352 10.465 -8.920 2.209 1.00 0.00 H new ATOM 704 N CYS A 353 4.398 -4.847 -3.957 1.00 0.00 N ATOM 705 CA CYS A 353 3.349 -4.807 -5.006 1.00 0.00 C ATOM 706 C CYS A 353 3.342 -6.165 -5.715 1.00 0.00 C ATOM 707 O CYS A 353 4.352 -6.838 -5.761 1.00 0.00 O ATOM 708 CB CYS A 353 3.678 -3.705 -6.012 1.00 0.00 C ATOM 709 SG CYS A 353 4.375 -2.276 -5.152 1.00 0.00 S ATOM 0 H CYS A 353 5.163 -4.184 -4.080 1.00 0.00 H new ATOM 0 HA CYS A 353 2.373 -4.603 -4.565 1.00 0.00 H new ATOM 0 HB2 CYS A 353 4.387 -4.076 -6.752 1.00 0.00 H new ATOM 0 HB3 CYS A 353 2.777 -3.412 -6.551 1.00 0.00 H new ATOM 714 N PRO A 354 2.225 -6.586 -6.252 1.00 0.00 N ATOM 715 CA PRO A 354 2.145 -7.901 -6.940 1.00 0.00 C ATOM 716 C PRO A 354 3.305 -8.104 -7.920 1.00 0.00 C ATOM 717 O PRO A 354 3.890 -9.167 -7.986 1.00 0.00 O ATOM 718 CB PRO A 354 0.821 -7.840 -7.704 1.00 0.00 C ATOM 719 CG PRO A 354 -0.012 -6.808 -7.014 1.00 0.00 C ATOM 720 CD PRO A 354 0.939 -5.872 -6.261 1.00 0.00 C ATOM 0 HA PRO A 354 2.202 -8.729 -6.233 1.00 0.00 H new ATOM 0 HB2 PRO A 354 0.986 -7.573 -8.748 1.00 0.00 H new ATOM 0 HB3 PRO A 354 0.323 -8.810 -7.698 1.00 0.00 H new ATOM 0 HG2 PRO A 354 -0.606 -6.249 -7.737 1.00 0.00 H new ATOM 0 HG3 PRO A 354 -0.711 -7.280 -6.324 1.00 0.00 H new ATOM 0 HD2 PRO A 354 1.024 -4.907 -6.760 1.00 0.00 H new ATOM 0 HD3 PRO A 354 0.586 -5.677 -5.248 1.00 0.00 H new ATOM 728 N LYS A 355 3.671 -7.089 -8.654 1.00 0.00 N ATOM 729 CA LYS A 355 4.816 -7.239 -9.596 1.00 0.00 C ATOM 730 C LYS A 355 6.097 -7.414 -8.785 1.00 0.00 C ATOM 731 O LYS A 355 6.982 -8.164 -9.146 1.00 0.00 O ATOM 732 CB LYS A 355 4.932 -5.996 -10.478 1.00 0.00 C ATOM 733 CG LYS A 355 5.191 -4.780 -9.595 1.00 0.00 C ATOM 734 CD LYS A 355 5.204 -3.514 -10.455 1.00 0.00 C ATOM 735 CE LYS A 355 5.737 -2.341 -9.630 1.00 0.00 C ATOM 736 NZ LYS A 355 6.051 -1.199 -10.534 1.00 0.00 N ATOM 0 H LYS A 355 3.231 -6.169 -8.643 1.00 0.00 H new ATOM 0 HA LYS A 355 4.656 -8.108 -10.234 1.00 0.00 H new ATOM 0 HB2 LYS A 355 5.743 -6.119 -11.196 1.00 0.00 H new ATOM 0 HB3 LYS A 355 4.016 -5.856 -11.052 1.00 0.00 H new ATOM 0 HG2 LYS A 355 4.419 -4.703 -8.829 1.00 0.00 H new ATOM 0 HG3 LYS A 355 6.144 -4.890 -9.078 1.00 0.00 H new ATOM 0 HD2 LYS A 355 5.828 -3.666 -11.335 1.00 0.00 H new ATOM 0 HD3 LYS A 355 4.198 -3.294 -10.812 1.00 0.00 H new ATOM 0 HE2 LYS A 355 4.998 -2.039 -8.888 1.00 0.00 H new ATOM 0 HE3 LYS A 355 6.631 -2.643 -9.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 355 6.413 -0.402 -9.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 355 6.771 -1.491 -11.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 355 5.188 -0.906 -11.035 1.00 0.00 H new ATOM 750 N CYS A 356 6.192 -6.724 -7.684 1.00 0.00 N ATOM 751 CA CYS A 356 7.401 -6.837 -6.828 1.00 0.00 C ATOM 752 C CYS A 356 7.475 -8.248 -6.243 1.00 0.00 C ATOM 753 O CYS A 356 8.541 -8.809 -6.080 1.00 0.00 O ATOM 754 CB CYS A 356 7.322 -5.799 -5.702 1.00 0.00 C ATOM 755 SG CYS A 356 7.497 -4.141 -6.411 1.00 0.00 S ATOM 0 H CYS A 356 5.478 -6.082 -7.339 1.00 0.00 H new ATOM 0 HA CYS A 356 8.297 -6.651 -7.421 1.00 0.00 H new ATOM 0 HB2 CYS A 356 6.370 -5.885 -5.177 1.00 0.00 H new ATOM 0 HB3 CYS A 356 8.108 -5.979 -4.969 1.00 0.00 H new ATOM 760 N LEU A 357 6.348 -8.828 -5.931 1.00 0.00 N ATOM 761 CA LEU A 357 6.352 -10.205 -5.361 1.00 0.00 C ATOM 762 C LEU A 357 6.990 -11.169 -6.362 1.00 0.00 C ATOM 763 O LEU A 357 7.685 -12.096 -5.994 1.00 0.00 O ATOM 764 CB LEU A 357 4.913 -10.641 -5.073 1.00 0.00 C ATOM 765 CG LEU A 357 4.915 -12.008 -4.384 1.00 0.00 C ATOM 766 CD1 LEU A 357 5.480 -11.875 -2.966 1.00 0.00 C ATOM 767 CD2 LEU A 357 3.482 -12.540 -4.309 1.00 0.00 C ATOM 0 H LEU A 357 5.426 -8.408 -6.046 1.00 0.00 H new ATOM 0 HA LEU A 357 6.926 -10.215 -4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 357 4.420 -9.904 -4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 357 4.346 -10.692 -6.002 1.00 0.00 H new ATOM 0 HG LEU A 357 5.536 -12.698 -4.956 1.00 0.00 H new ATOM 0 HD11 LEU A 357 5.479 -12.851 -2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 357 6.501 -11.495 -3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 357 4.863 -11.184 -2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 357 3.481 -13.514 -3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 357 2.865 -11.845 -3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 357 3.078 -12.640 -5.316 1.00 0.00 H new ATOM 779 N ALA A 358 6.755 -10.959 -7.628 1.00 0.00 N ATOM 780 CA ALA A 358 7.342 -11.863 -8.658 1.00 0.00 C ATOM 781 C ALA A 358 8.869 -11.800 -8.589 1.00 0.00 C ATOM 782 O ALA A 358 9.553 -12.762 -8.878 1.00 0.00 O ATOM 783 CB ALA A 358 6.879 -11.419 -10.046 1.00 0.00 C ATOM 0 H ALA A 358 6.181 -10.200 -7.994 1.00 0.00 H new ATOM 0 HA ALA A 358 7.013 -12.885 -8.471 1.00 0.00 H new ATOM 0 HB1 ALA A 358 7.307 -12.079 -10.801 1.00 0.00 H new ATOM 0 HB2 ALA A 358 5.791 -11.465 -10.099 1.00 0.00 H new ATOM 0 HB3 ALA A 358 7.208 -10.396 -10.229 1.00 0.00 H new ATOM 789 N GLN A 359 9.409 -10.676 -8.210 1.00 0.00 N ATOM 790 CA GLN A 359 10.891 -10.553 -8.126 1.00 0.00 C ATOM 791 C GLN A 359 11.439 -11.606 -7.161 1.00 0.00 C ATOM 792 O GLN A 359 12.512 -12.141 -7.354 1.00 0.00 O ATOM 793 CB GLN A 359 11.260 -9.156 -7.622 1.00 0.00 C ATOM 794 CG GLN A 359 10.814 -8.112 -8.647 1.00 0.00 C ATOM 795 CD GLN A 359 11.131 -6.710 -8.122 1.00 0.00 C ATOM 796 OE1 GLN A 359 11.369 -6.531 -6.944 1.00 0.00 O ATOM 797 NE2 GLN A 359 11.146 -5.704 -8.952 1.00 0.00 N ATOM 0 H GLN A 359 8.888 -9.837 -7.955 1.00 0.00 H new ATOM 0 HA GLN A 359 11.324 -10.708 -9.114 1.00 0.00 H new ATOM 0 HB2 GLN A 359 10.782 -8.966 -6.661 1.00 0.00 H new ATOM 0 HB3 GLN A 359 12.336 -9.088 -7.461 1.00 0.00 H new ATOM 0 HG2 GLN A 359 11.322 -8.279 -9.597 1.00 0.00 H new ATOM 0 HG3 GLN A 359 9.745 -8.207 -8.837 1.00 0.00 H new ATOM 0 HE21 GLN A 359 10.946 -5.856 -9.941 1.00 0.00 H new ATOM 0 HE22 GLN A 359 11.358 -4.766 -8.612 1.00 0.00 H new ATOM 806 N GLU A 360 10.708 -11.908 -6.123 1.00 0.00 N ATOM 807 CA GLU A 360 11.183 -12.925 -5.148 1.00 0.00 C ATOM 808 C GLU A 360 10.968 -14.326 -5.724 1.00 0.00 C ATOM 809 O GLU A 360 10.581 -15.202 -4.968 1.00 0.00 O ATOM 810 CB GLU A 360 10.395 -12.778 -3.848 1.00 0.00 C ATOM 811 CG GLU A 360 10.680 -11.410 -3.227 1.00 0.00 C ATOM 812 CD GLU A 360 9.949 -11.293 -1.889 1.00 0.00 C ATOM 813 OE1 GLU A 360 9.143 -12.161 -1.599 1.00 0.00 O ATOM 814 OE2 GLU A 360 10.208 -10.337 -1.177 1.00 0.00 O ATOM 815 OXT GLU A 360 11.191 -14.498 -6.911 1.00 0.00 O ATOM 0 H GLU A 360 9.801 -11.493 -5.909 1.00 0.00 H new ATOM 0 HA GLU A 360 12.245 -12.778 -4.951 1.00 0.00 H new ATOM 0 HB2 GLU A 360 9.328 -12.885 -4.044 1.00 0.00 H new ATOM 0 HB3 GLU A 360 10.672 -13.570 -3.152 1.00 0.00 H new ATOM 0 HG2 GLU A 360 11.752 -11.282 -3.080 1.00 0.00 H new ATOM 0 HG3 GLU A 360 10.354 -10.618 -3.901 1.00 0.00 H new TER 822 GLU A 360 HETATM 823 ZN ZN A 401 -5.585 4.740 -3.071 1.00 0.00 ZN HETATM 824 ZN ZN A 402 6.671 -2.429 -5.107 1.00 0.00 ZN