USER MOD reduce.3.24.130724 H: found=0, std=0, add=334, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 339 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 298 SER OG : rot 180:sc= 0 USER MOD Single : A 302 TYR OH : rot 180:sc= -0.0391 USER MOD Single : A 304 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 306 THR OG1 : rot -36:sc= 0.877 USER MOD Single : A 307 SER OG : rot 25:sc= 0.18 USER MOD Single : A 309 ASN : amide:sc= -0.245 X(o=-0.25,f=0.1) USER MOD Single : A 311 MET CE :methyl 135:sc= -2.6 (180deg=-3.5) USER MOD Single : A 312 ASN : amide:sc= -1.44! C(o=-1.4!,f=-8!) USER MOD Single : A 317 SER OG : rot 180:sc= 0.00905 USER MOD Single : A 318 HIS : no HD1:sc= -4.24 K(o=-4.2,f=-3.7!) USER MOD Single : A 320 ASN : amide:sc= -0.244 X(o=-0.24,f=-0.32) USER MOD Single : A 328 ASN : amide:sc=-0.00516 K(o=-0.0052,f=-2.3!) USER MOD Single : A 334 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 290 8.581 11.118 12.954 1.00 0.00 N ATOM 2 CA SER A 290 7.324 10.776 12.239 1.00 0.00 C ATOM 3 C SER A 290 7.513 9.551 11.348 1.00 0.00 C ATOM 4 O SER A 290 7.264 9.600 10.144 1.00 0.00 O ATOM 5 CB SER A 290 6.899 11.981 11.398 1.00 0.00 C ATOM 6 OG SER A 290 6.380 13.016 12.216 1.00 0.00 O ATOM 0 HA SER A 290 6.551 10.535 12.968 1.00 0.00 H new ATOM 0 HB2 SER A 290 7.753 12.354 10.833 1.00 0.00 H new ATOM 0 HB3 SER A 290 6.146 11.674 10.672 1.00 0.00 H new ATOM 0 HG SER A 290 6.117 13.775 11.655 1.00 0.00 H new ATOM 14 N PHE A 291 7.954 8.451 11.950 1.00 0.00 N ATOM 15 CA PHE A 291 8.177 7.213 11.214 1.00 0.00 C ATOM 16 C PHE A 291 8.505 6.066 12.162 1.00 0.00 C ATOM 17 O PHE A 291 7.770 5.083 12.245 1.00 0.00 O ATOM 18 CB PHE A 291 9.310 7.394 10.200 1.00 0.00 C ATOM 19 CG PHE A 291 8.828 7.606 8.792 1.00 0.00 C ATOM 20 CD1 PHE A 291 8.204 6.581 8.098 1.00 0.00 C ATOM 21 CD2 PHE A 291 9.000 8.828 8.164 1.00 0.00 C ATOM 22 CE1 PHE A 291 7.760 6.773 6.805 1.00 0.00 C ATOM 23 CE2 PHE A 291 8.558 9.026 6.870 1.00 0.00 C ATOM 24 CZ PHE A 291 7.937 7.997 6.189 1.00 0.00 C ATOM 0 H PHE A 291 8.164 8.392 12.946 1.00 0.00 H new ATOM 0 HA PHE A 291 7.258 6.967 10.682 1.00 0.00 H new ATOM 0 HB2 PHE A 291 9.921 8.246 10.498 1.00 0.00 H new ATOM 0 HB3 PHE A 291 9.954 6.515 10.226 1.00 0.00 H new ATOM 0 HD1 PHE A 291 8.064 5.622 8.574 1.00 0.00 H new ATOM 0 HD2 PHE A 291 9.485 9.636 8.692 1.00 0.00 H new ATOM 0 HE1 PHE A 291 7.274 5.967 6.275 1.00 0.00 H new ATOM 0 HE2 PHE A 291 8.698 9.984 6.392 1.00 0.00 H new ATOM 0 HZ PHE A 291 7.591 8.149 5.177 1.00 0.00 H new ATOM 34 N GLU A 292 9.614 6.205 12.873 1.00 0.00 N ATOM 35 CA GLU A 292 10.052 5.185 13.821 1.00 0.00 C ATOM 36 C GLU A 292 10.290 3.856 13.115 1.00 0.00 C ATOM 37 O GLU A 292 9.990 2.791 13.655 1.00 0.00 O ATOM 38 CB GLU A 292 9.013 5.010 14.931 1.00 0.00 C ATOM 39 CG GLU A 292 9.490 4.134 16.077 1.00 0.00 C ATOM 40 CD GLU A 292 8.734 2.822 16.164 1.00 0.00 C ATOM 41 OE1 GLU A 292 7.552 2.790 15.761 1.00 0.00 O ATOM 42 OE2 GLU A 292 9.325 1.826 16.634 1.00 0.00 O ATOM 0 H GLU A 292 10.230 7.016 12.813 1.00 0.00 H new ATOM 0 HA GLU A 292 10.992 5.514 14.264 1.00 0.00 H new ATOM 0 HB2 GLU A 292 8.743 5.991 15.322 1.00 0.00 H new ATOM 0 HB3 GLU A 292 8.108 4.576 14.505 1.00 0.00 H new ATOM 0 HG2 GLU A 292 10.553 3.929 15.954 1.00 0.00 H new ATOM 0 HG3 GLU A 292 9.377 4.677 17.015 1.00 0.00 H new ATOM 49 N GLU A 293 10.831 3.927 11.905 1.00 0.00 N ATOM 50 CA GLU A 293 11.112 2.736 11.121 1.00 0.00 C ATOM 51 C GLU A 293 12.435 2.103 11.541 1.00 0.00 C ATOM 52 O GLU A 293 13.487 2.738 11.471 1.00 0.00 O ATOM 53 CB GLU A 293 11.146 3.077 9.629 1.00 0.00 C ATOM 54 CG GLU A 293 9.793 2.957 8.947 1.00 0.00 C ATOM 55 CD GLU A 293 9.610 1.626 8.244 1.00 0.00 C ATOM 56 OE1 GLU A 293 10.273 0.647 8.645 1.00 0.00 O ATOM 57 OE2 GLU A 293 8.804 1.564 7.292 1.00 0.00 O ATOM 0 H GLU A 293 11.084 4.802 11.446 1.00 0.00 H new ATOM 0 HA GLU A 293 10.314 2.017 11.304 1.00 0.00 H new ATOM 0 HB2 GLU A 293 11.517 4.095 9.506 1.00 0.00 H new ATOM 0 HB3 GLU A 293 11.855 2.417 9.130 1.00 0.00 H new ATOM 0 HG2 GLU A 293 9.004 3.083 9.688 1.00 0.00 H new ATOM 0 HG3 GLU A 293 9.682 3.764 8.223 1.00 0.00 H new ATOM 64 N ASP A 294 12.374 0.849 11.977 1.00 0.00 N ATOM 65 CA ASP A 294 13.568 0.132 12.407 1.00 0.00 C ATOM 66 C ASP A 294 14.419 -0.279 11.207 1.00 0.00 C ATOM 67 O ASP A 294 15.575 0.126 11.089 1.00 0.00 O ATOM 68 CB ASP A 294 13.180 -1.103 13.222 1.00 0.00 C ATOM 69 CG ASP A 294 13.190 -0.837 14.716 1.00 0.00 C ATOM 70 OD1 ASP A 294 14.012 -0.010 15.165 1.00 0.00 O ATOM 71 OD2 ASP A 294 12.376 -1.454 15.434 1.00 0.00 O ATOM 0 H ASP A 294 11.511 0.309 12.042 1.00 0.00 H new ATOM 0 HA ASP A 294 14.158 0.801 13.034 1.00 0.00 H new ATOM 0 HB2 ASP A 294 12.186 -1.436 12.922 1.00 0.00 H new ATOM 0 HB3 ASP A 294 13.870 -1.916 12.996 1.00 0.00 H new ATOM 76 N PRO A 295 13.856 -1.095 10.298 1.00 0.00 N ATOM 77 CA PRO A 295 14.571 -1.559 9.106 1.00 0.00 C ATOM 78 C PRO A 295 14.714 -0.468 8.051 1.00 0.00 C ATOM 79 O PRO A 295 15.639 -0.494 7.240 1.00 0.00 O ATOM 80 CB PRO A 295 13.686 -2.692 8.588 1.00 0.00 C ATOM 81 CG PRO A 295 12.313 -2.335 9.043 1.00 0.00 C ATOM 82 CD PRO A 295 12.481 -1.629 10.362 1.00 0.00 C ATOM 0 HA PRO A 295 15.592 -1.864 9.334 1.00 0.00 H new ATOM 0 HB2 PRO A 295 13.736 -2.769 7.502 1.00 0.00 H new ATOM 0 HB3 PRO A 295 13.999 -3.655 8.991 1.00 0.00 H new ATOM 0 HG2 PRO A 295 11.817 -1.691 8.317 1.00 0.00 H new ATOM 0 HG3 PRO A 295 11.695 -3.226 9.154 1.00 0.00 H new ATOM 0 HD2 PRO A 295 11.747 -0.833 10.487 1.00 0.00 H new ATOM 0 HD3 PRO A 295 12.355 -2.313 11.202 1.00 0.00 H new ATOM 90 N GLU A 296 13.793 0.489 8.066 1.00 0.00 N ATOM 91 CA GLU A 296 13.817 1.589 7.108 1.00 0.00 C ATOM 92 C GLU A 296 13.717 1.064 5.679 1.00 0.00 C ATOM 93 O GLU A 296 14.716 0.979 4.967 1.00 0.00 O ATOM 94 CB GLU A 296 15.099 2.408 7.276 1.00 0.00 C ATOM 95 CG GLU A 296 14.925 3.635 8.156 1.00 0.00 C ATOM 96 CD GLU A 296 16.172 3.959 8.956 1.00 0.00 C ATOM 97 OE1 GLU A 296 17.260 4.046 8.351 1.00 0.00 O ATOM 98 OE2 GLU A 296 16.059 4.124 10.189 1.00 0.00 O ATOM 0 H GLU A 296 13.020 0.526 8.731 1.00 0.00 H new ATOM 0 HA GLU A 296 12.957 2.230 7.302 1.00 0.00 H new ATOM 0 HB2 GLU A 296 15.874 1.771 7.703 1.00 0.00 H new ATOM 0 HB3 GLU A 296 15.451 2.723 6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 296 14.665 4.491 7.533 1.00 0.00 H new ATOM 0 HG3 GLU A 296 14.091 3.473 8.839 1.00 0.00 H new ATOM 105 N ILE A 297 12.503 0.714 5.267 1.00 0.00 N ATOM 106 CA ILE A 297 12.273 0.196 3.924 1.00 0.00 C ATOM 107 C ILE A 297 12.305 1.322 2.893 1.00 0.00 C ATOM 108 O ILE A 297 12.068 2.486 3.218 1.00 0.00 O ATOM 109 CB ILE A 297 10.925 -0.569 3.843 1.00 0.00 C ATOM 110 CG1 ILE A 297 11.163 -2.064 4.050 1.00 0.00 C ATOM 111 CG2 ILE A 297 10.217 -0.329 2.514 1.00 0.00 C ATOM 112 CD1 ILE A 297 9.908 -2.833 4.403 1.00 0.00 C ATOM 0 H ILE A 297 11.664 0.780 5.844 1.00 0.00 H new ATOM 0 HA ILE A 297 13.078 -0.504 3.698 1.00 0.00 H new ATOM 0 HB ILE A 297 10.278 -0.190 4.634 1.00 0.00 H new ATOM 0 HG12 ILE A 297 11.593 -2.484 3.141 1.00 0.00 H new ATOM 0 HG13 ILE A 297 11.898 -2.200 4.843 1.00 0.00 H new ATOM 0 HG21 ILE A 297 9.278 -0.882 2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 297 10.014 0.735 2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 297 10.853 -0.669 1.696 1.00 0.00 H new ATOM 0 HD11 ILE A 297 10.152 -3.887 4.535 1.00 0.00 H new ATOM 0 HD12 ILE A 297 9.488 -2.439 5.328 1.00 0.00 H new ATOM 0 HD13 ILE A 297 9.179 -2.728 3.600 1.00 0.00 H new ATOM 124 N SER A 298 12.600 0.962 1.649 1.00 0.00 N ATOM 125 CA SER A 298 12.666 1.936 0.565 1.00 0.00 C ATOM 126 C SER A 298 11.278 2.474 0.231 1.00 0.00 C ATOM 127 O SER A 298 10.266 1.842 0.536 1.00 0.00 O ATOM 128 CB SER A 298 13.294 1.305 -0.679 1.00 0.00 C ATOM 129 OG SER A 298 14.654 0.975 -0.452 1.00 0.00 O ATOM 0 H SER A 298 12.797 0.002 1.366 1.00 0.00 H new ATOM 0 HA SER A 298 13.288 2.768 0.895 1.00 0.00 H new ATOM 0 HB2 SER A 298 12.740 0.408 -0.955 1.00 0.00 H new ATOM 0 HB3 SER A 298 13.219 1.996 -1.518 1.00 0.00 H new ATOM 0 HG SER A 298 15.032 0.572 -1.261 1.00 0.00 H new ATOM 135 N LEU A 299 11.237 3.646 -0.393 1.00 0.00 N ATOM 136 CA LEU A 299 9.973 4.271 -0.766 1.00 0.00 C ATOM 137 C LEU A 299 9.546 3.859 -2.171 1.00 0.00 C ATOM 138 O LEU A 299 8.357 3.840 -2.490 1.00 0.00 O ATOM 139 CB LEU A 299 10.092 5.794 -0.684 1.00 0.00 C ATOM 140 CG LEU A 299 8.788 6.559 -0.912 1.00 0.00 C ATOM 141 CD1 LEU A 299 8.735 7.802 -0.037 1.00 0.00 C ATOM 142 CD2 LEU A 299 8.641 6.933 -2.380 1.00 0.00 C ATOM 0 H LEU A 299 12.065 4.183 -0.651 1.00 0.00 H new ATOM 0 HA LEU A 299 9.211 3.931 -0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 299 10.484 6.060 0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 299 10.824 6.126 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 299 7.957 5.911 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 299 7.799 8.332 -0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 299 8.794 7.511 1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 299 9.573 8.454 -0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 299 7.708 7.477 -2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 299 9.478 7.563 -2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 299 8.631 6.028 -2.987 1.00 0.00 H new ATOM 154 N ALA A 300 10.523 3.537 -3.009 1.00 0.00 N ATOM 155 CA ALA A 300 10.254 3.133 -4.385 1.00 0.00 C ATOM 156 C ALA A 300 9.452 1.836 -4.445 1.00 0.00 C ATOM 157 O ALA A 300 8.686 1.613 -5.382 1.00 0.00 O ATOM 158 CB ALA A 300 11.559 2.981 -5.151 1.00 0.00 C ATOM 0 H ALA A 300 11.512 3.548 -2.760 1.00 0.00 H new ATOM 0 HA ALA A 300 9.653 3.915 -4.850 1.00 0.00 H new ATOM 0 HB1 ALA A 300 11.346 2.679 -6.176 1.00 0.00 H new ATOM 0 HB2 ALA A 300 12.091 3.932 -5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 300 12.177 2.222 -4.670 1.00 0.00 H new ATOM 164 N ASP A 301 9.636 0.982 -3.444 1.00 0.00 N ATOM 165 CA ASP A 301 8.931 -0.296 -3.392 1.00 0.00 C ATOM 166 C ASP A 301 7.461 -0.112 -3.014 1.00 0.00 C ATOM 167 O ASP A 301 6.671 -1.052 -3.105 1.00 0.00 O ATOM 168 CB ASP A 301 9.613 -1.230 -2.390 1.00 0.00 C ATOM 169 CG ASP A 301 10.910 -1.805 -2.926 1.00 0.00 C ATOM 170 OD1 ASP A 301 11.889 -1.041 -3.053 1.00 0.00 O ATOM 171 OD2 ASP A 301 10.946 -3.019 -3.218 1.00 0.00 O ATOM 0 H ASP A 301 10.265 1.150 -2.659 1.00 0.00 H new ATOM 0 HA ASP A 301 8.969 -0.738 -4.387 1.00 0.00 H new ATOM 0 HB2 ASP A 301 9.814 -0.685 -1.468 1.00 0.00 H new ATOM 0 HB3 ASP A 301 8.935 -2.045 -2.137 1.00 0.00 H new ATOM 176 N TYR A 302 7.099 1.093 -2.581 1.00 0.00 N ATOM 177 CA TYR A 302 5.728 1.383 -2.181 1.00 0.00 C ATOM 178 C TYR A 302 4.723 0.966 -3.251 1.00 0.00 C ATOM 179 O TYR A 302 5.098 0.610 -4.369 1.00 0.00 O ATOM 180 CB TYR A 302 5.578 2.869 -1.874 1.00 0.00 C ATOM 181 CG TYR A 302 6.031 3.216 -0.481 1.00 0.00 C ATOM 182 CD1 TYR A 302 7.155 2.612 0.058 1.00 0.00 C ATOM 183 CD2 TYR A 302 5.336 4.128 0.300 1.00 0.00 C ATOM 184 CE1 TYR A 302 7.579 2.903 1.331 1.00 0.00 C ATOM 185 CE2 TYR A 302 5.753 4.429 1.581 1.00 0.00 C ATOM 186 CZ TYR A 302 6.878 3.814 2.094 1.00 0.00 C ATOM 187 OH TYR A 302 7.300 4.110 3.371 1.00 0.00 O ATOM 0 H TYR A 302 7.738 1.884 -2.499 1.00 0.00 H new ATOM 0 HA TYR A 302 5.515 0.801 -1.284 1.00 0.00 H new ATOM 0 HB2 TYR A 302 6.156 3.446 -2.595 1.00 0.00 H new ATOM 0 HB3 TYR A 302 4.534 3.159 -1.997 1.00 0.00 H new ATOM 0 HD1 TYR A 302 7.708 1.898 -0.534 1.00 0.00 H new ATOM 0 HD2 TYR A 302 4.456 4.609 -0.100 1.00 0.00 H new ATOM 0 HE1 TYR A 302 8.458 2.421 1.733 1.00 0.00 H new ATOM 0 HE2 TYR A 302 5.203 5.141 2.178 1.00 0.00 H new ATOM 0 HH TYR A 302 6.696 4.771 3.770 1.00 0.00 H new ATOM 197 N TRP A 303 3.442 1.017 -2.897 1.00 0.00 N ATOM 198 CA TRP A 303 2.374 0.648 -3.819 1.00 0.00 C ATOM 199 C TRP A 303 1.201 1.618 -3.704 1.00 0.00 C ATOM 200 O TRP A 303 1.061 2.324 -2.704 1.00 0.00 O ATOM 201 CB TRP A 303 1.901 -0.779 -3.541 1.00 0.00 C ATOM 202 CG TRP A 303 1.549 -1.020 -2.105 1.00 0.00 C ATOM 203 CD1 TRP A 303 2.417 -1.233 -1.072 1.00 0.00 C ATOM 204 CD2 TRP A 303 0.233 -1.075 -1.542 1.00 0.00 C ATOM 205 NE1 TRP A 303 1.722 -1.416 0.098 1.00 0.00 N ATOM 206 CE2 TRP A 303 0.380 -1.323 -0.164 1.00 0.00 C ATOM 207 CE3 TRP A 303 -1.053 -0.937 -2.070 1.00 0.00 C ATOM 208 CZ2 TRP A 303 -0.714 -1.436 0.692 1.00 0.00 C ATOM 209 CZ3 TRP A 303 -2.138 -1.050 -1.219 1.00 0.00 C ATOM 210 CH2 TRP A 303 -1.962 -1.297 0.148 1.00 0.00 C ATOM 0 H TRP A 303 3.118 1.311 -1.976 1.00 0.00 H new ATOM 0 HA TRP A 303 2.768 0.699 -4.834 1.00 0.00 H new ATOM 0 HB2 TRP A 303 1.031 -0.993 -4.161 1.00 0.00 H new ATOM 0 HB3 TRP A 303 2.683 -1.478 -3.838 1.00 0.00 H new ATOM 0 HD1 TRP A 303 3.493 -1.254 -1.162 1.00 0.00 H new ATOM 0 HE1 TRP A 303 2.137 -1.592 1.013 1.00 0.00 H new ATOM 0 HE3 TRP A 303 -1.198 -0.746 -3.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 303 -0.582 -1.626 1.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 303 -3.137 -0.946 -1.616 1.00 0.00 H new ATOM 0 HH2 TRP A 303 -2.829 -1.380 0.786 1.00 0.00 H new ATOM 221 N LYS A 304 0.364 1.647 -4.737 1.00 0.00 N ATOM 222 CA LYS A 304 -0.797 2.529 -4.758 1.00 0.00 C ATOM 223 C LYS A 304 -2.067 1.776 -4.371 1.00 0.00 C ATOM 224 O LYS A 304 -2.385 0.739 -4.955 1.00 0.00 O ATOM 225 CB LYS A 304 -0.964 3.152 -6.145 1.00 0.00 C ATOM 226 CG LYS A 304 -1.943 4.314 -6.178 1.00 0.00 C ATOM 227 CD LYS A 304 -1.319 5.585 -5.622 1.00 0.00 C ATOM 228 CE LYS A 304 -0.866 6.516 -6.736 1.00 0.00 C ATOM 229 NZ LYS A 304 -1.825 7.635 -6.948 1.00 0.00 N ATOM 0 H LYS A 304 0.469 1.069 -5.571 1.00 0.00 H new ATOM 0 HA LYS A 304 -0.631 3.320 -4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 304 0.008 3.497 -6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 304 -1.302 2.384 -6.841 1.00 0.00 H new ATOM 0 HG2 LYS A 304 -2.270 4.486 -7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 304 -2.831 4.060 -5.599 1.00 0.00 H new ATOM 0 HD2 LYS A 304 -2.041 6.099 -4.988 1.00 0.00 H new ATOM 0 HD3 LYS A 304 -0.467 5.328 -4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 304 0.117 6.921 -6.494 1.00 0.00 H new ATOM 0 HE3 LYS A 304 -0.758 5.950 -7.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 304 -1.480 8.247 -7.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 304 -2.757 7.250 -7.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 304 -1.909 8.191 -6.073 1.00 0.00 H new ATOM 243 N CYS A 305 -2.789 2.303 -3.388 1.00 0.00 N ATOM 244 CA CYS A 305 -4.025 1.676 -2.929 1.00 0.00 C ATOM 245 C CYS A 305 -5.053 1.622 -4.056 1.00 0.00 C ATOM 246 O CYS A 305 -5.367 2.638 -4.675 1.00 0.00 O ATOM 247 CB CYS A 305 -4.599 2.433 -1.732 1.00 0.00 C ATOM 248 SG CYS A 305 -5.853 1.511 -0.815 1.00 0.00 S ATOM 0 H CYS A 305 -2.541 3.160 -2.894 1.00 0.00 H new ATOM 0 HA CYS A 305 -3.793 0.657 -2.620 1.00 0.00 H new ATOM 0 HB2 CYS A 305 -3.785 2.693 -1.055 1.00 0.00 H new ATOM 0 HB3 CYS A 305 -5.034 3.369 -2.081 1.00 0.00 H new ATOM 254 N THR A 306 -5.566 0.425 -4.321 1.00 0.00 N ATOM 255 CA THR A 306 -6.549 0.224 -5.383 1.00 0.00 C ATOM 256 C THR A 306 -7.920 0.802 -5.028 1.00 0.00 C ATOM 257 O THR A 306 -8.854 0.707 -5.822 1.00 0.00 O ATOM 258 CB THR A 306 -6.685 -1.267 -5.694 1.00 0.00 C ATOM 259 OG1 THR A 306 -7.601 -1.477 -6.754 1.00 0.00 O ATOM 260 CG2 THR A 306 -7.158 -2.084 -4.511 1.00 0.00 C ATOM 0 H THR A 306 -5.317 -0.424 -3.814 1.00 0.00 H new ATOM 0 HA THR A 306 -6.186 0.758 -6.261 1.00 0.00 H new ATOM 0 HB THR A 306 -5.683 -1.598 -5.967 1.00 0.00 H new ATOM 0 HG1 THR A 306 -8.328 -0.822 -6.693 1.00 0.00 H new ATOM 0 HG21 THR A 306 -7.233 -3.132 -4.800 1.00 0.00 H new ATOM 0 HG22 THR A 306 -6.446 -1.983 -3.691 1.00 0.00 H new ATOM 0 HG23 THR A 306 -8.136 -1.725 -4.189 1.00 0.00 H new ATOM 268 N SER A 307 -8.051 1.395 -3.842 1.00 0.00 N ATOM 269 CA SER A 307 -9.326 1.968 -3.428 1.00 0.00 C ATOM 270 C SER A 307 -9.220 3.476 -3.258 1.00 0.00 C ATOM 271 O SER A 307 -9.945 4.238 -3.898 1.00 0.00 O ATOM 272 CB SER A 307 -9.795 1.328 -2.120 1.00 0.00 C ATOM 273 OG SER A 307 -8.696 1.026 -1.276 1.00 0.00 O ATOM 0 H SER A 307 -7.299 1.490 -3.160 1.00 0.00 H new ATOM 0 HA SER A 307 -10.057 1.762 -4.210 1.00 0.00 H new ATOM 0 HB2 SER A 307 -10.478 2.004 -1.605 1.00 0.00 H new ATOM 0 HB3 SER A 307 -10.352 0.417 -2.337 1.00 0.00 H new ATOM 0 HG SER A 307 -7.942 1.611 -1.499 1.00 0.00 H new ATOM 279 N CYS A 308 -8.321 3.897 -2.383 1.00 0.00 N ATOM 280 CA CYS A 308 -8.123 5.313 -2.109 1.00 0.00 C ATOM 281 C CYS A 308 -6.963 5.899 -2.921 1.00 0.00 C ATOM 282 O CYS A 308 -6.826 7.118 -3.025 1.00 0.00 O ATOM 283 CB CYS A 308 -7.896 5.518 -0.610 1.00 0.00 C ATOM 284 SG CYS A 308 -6.204 5.216 -0.052 1.00 0.00 S ATOM 0 H CYS A 308 -7.714 3.276 -1.848 1.00 0.00 H new ATOM 0 HA CYS A 308 -9.023 5.847 -2.415 1.00 0.00 H new ATOM 0 HB2 CYS A 308 -8.172 6.540 -0.351 1.00 0.00 H new ATOM 0 HB3 CYS A 308 -8.568 4.858 -0.061 1.00 0.00 H new ATOM 290 N ASN A 309 -6.134 5.031 -3.499 1.00 0.00 N ATOM 291 CA ASN A 309 -4.998 5.480 -4.299 1.00 0.00 C ATOM 292 C ASN A 309 -4.000 6.275 -3.457 1.00 0.00 C ATOM 293 O ASN A 309 -3.785 7.465 -3.688 1.00 0.00 O ATOM 294 CB ASN A 309 -5.486 6.328 -5.476 1.00 0.00 C ATOM 295 CG ASN A 309 -5.593 5.527 -6.760 1.00 0.00 C ATOM 296 OD1 ASN A 309 -5.682 4.301 -6.733 1.00 0.00 O ATOM 297 ND2 ASN A 309 -5.584 6.221 -7.892 1.00 0.00 N ATOM 0 H ASN A 309 -6.228 4.018 -3.428 1.00 0.00 H new ATOM 0 HA ASN A 309 -4.486 4.596 -4.679 1.00 0.00 H new ATOM 0 HB2 ASN A 309 -6.460 6.754 -5.234 1.00 0.00 H new ATOM 0 HB3 ASN A 309 -4.802 7.163 -5.627 1.00 0.00 H new ATOM 0 HD21 ASN A 309 -5.653 5.737 -8.787 1.00 0.00 H new ATOM 0 HD22 ASN A 309 -5.508 7.238 -7.866 1.00 0.00 H new ATOM 304 N GLU A 310 -3.385 5.607 -2.485 1.00 0.00 N ATOM 305 CA GLU A 310 -2.403 6.247 -1.617 1.00 0.00 C ATOM 306 C GLU A 310 -1.066 5.517 -1.690 1.00 0.00 C ATOM 307 O GLU A 310 -0.983 4.409 -2.218 1.00 0.00 O ATOM 308 CB GLU A 310 -2.905 6.270 -0.175 1.00 0.00 C ATOM 309 CG GLU A 310 -2.145 7.231 0.728 1.00 0.00 C ATOM 310 CD GLU A 310 -2.002 8.614 0.123 1.00 0.00 C ATOM 311 OE1 GLU A 310 -2.998 9.368 0.123 1.00 0.00 O ATOM 312 OE2 GLU A 310 -0.894 8.945 -0.348 1.00 0.00 O ATOM 0 H GLU A 310 -3.550 4.622 -2.279 1.00 0.00 H new ATOM 0 HA GLU A 310 -2.261 7.272 -1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 310 -3.960 6.543 -0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 310 -2.834 5.265 0.240 1.00 0.00 H new ATOM 0 HG2 GLU A 310 -2.661 7.309 1.685 1.00 0.00 H new ATOM 0 HG3 GLU A 310 -1.155 6.824 0.933 1.00 0.00 H new ATOM 319 N MET A 311 -0.024 6.144 -1.158 1.00 0.00 N ATOM 320 CA MET A 311 1.310 5.553 -1.167 1.00 0.00 C ATOM 321 C MET A 311 1.605 4.835 0.146 1.00 0.00 C ATOM 322 O MET A 311 1.882 5.472 1.163 1.00 0.00 O ATOM 323 CB MET A 311 2.367 6.632 -1.415 1.00 0.00 C ATOM 324 CG MET A 311 2.422 7.109 -2.858 1.00 0.00 C ATOM 325 SD MET A 311 4.099 7.131 -3.522 1.00 0.00 S ATOM 326 CE MET A 311 4.537 5.400 -3.387 1.00 0.00 C ATOM 0 H MET A 311 -0.076 7.061 -0.715 1.00 0.00 H new ATOM 0 HA MET A 311 1.345 4.821 -1.974 1.00 0.00 H new ATOM 0 HB2 MET A 311 2.163 7.484 -0.767 1.00 0.00 H new ATOM 0 HB3 MET A 311 3.345 6.243 -1.132 1.00 0.00 H new ATOM 0 HG2 MET A 311 1.800 6.460 -3.475 1.00 0.00 H new ATOM 0 HG3 MET A 311 1.998 8.111 -2.921 1.00 0.00 H new ATOM 0 HE1 MET A 311 5.017 5.073 -4.309 1.00 0.00 H new ATOM 0 HE2 MET A 311 5.224 5.263 -2.552 1.00 0.00 H new ATOM 0 HE3 MET A 311 3.637 4.809 -3.217 1.00 0.00 H new ATOM 336 N ASN A 312 1.546 3.507 0.119 1.00 0.00 N ATOM 337 CA ASN A 312 1.810 2.709 1.311 1.00 0.00 C ATOM 338 C ASN A 312 3.069 1.863 1.142 1.00 0.00 C ATOM 339 O ASN A 312 3.373 1.401 0.042 1.00 0.00 O ATOM 340 CB ASN A 312 0.618 1.806 1.621 1.00 0.00 C ATOM 341 CG ASN A 312 -0.355 2.453 2.582 1.00 0.00 C ATOM 342 OD1 ASN A 312 -0.265 2.269 3.797 1.00 0.00 O ATOM 343 ND2 ASN A 312 -1.295 3.216 2.041 1.00 0.00 N ATOM 0 H ASN A 312 1.318 2.962 -0.713 1.00 0.00 H new ATOM 0 HA ASN A 312 1.967 3.396 2.143 1.00 0.00 H new ATOM 0 HB2 ASN A 312 0.101 1.559 0.694 1.00 0.00 H new ATOM 0 HB3 ASN A 312 0.976 0.868 2.046 1.00 0.00 H new ATOM 0 HD21 ASN A 312 -1.982 3.679 2.637 1.00 0.00 H new ATOM 0 HD22 ASN A 312 -1.331 3.340 1.029 1.00 0.00 H new ATOM 350 N PRO A 313 3.821 1.647 2.236 1.00 0.00 N ATOM 351 CA PRO A 313 5.050 0.850 2.204 1.00 0.00 C ATOM 352 C PRO A 313 4.775 -0.628 1.941 1.00 0.00 C ATOM 353 O PRO A 313 3.733 -1.154 2.336 1.00 0.00 O ATOM 354 CB PRO A 313 5.640 1.043 3.604 1.00 0.00 C ATOM 355 CG PRO A 313 4.473 1.385 4.463 1.00 0.00 C ATOM 356 CD PRO A 313 3.530 2.161 3.587 1.00 0.00 C ATOM 0 HA PRO A 313 5.717 1.164 1.401 1.00 0.00 H new ATOM 0 HB2 PRO A 313 6.136 0.137 3.953 1.00 0.00 H new ATOM 0 HB3 PRO A 313 6.385 1.839 3.613 1.00 0.00 H new ATOM 0 HG2 PRO A 313 3.995 0.485 4.850 1.00 0.00 H new ATOM 0 HG3 PRO A 313 4.782 1.977 5.325 1.00 0.00 H new ATOM 0 HD2 PRO A 313 2.490 1.992 3.866 1.00 0.00 H new ATOM 0 HD3 PRO A 313 3.708 3.234 3.656 1.00 0.00 H new ATOM 364 N PRO A 314 5.709 -1.322 1.266 1.00 0.00 N ATOM 365 CA PRO A 314 5.560 -2.746 0.951 1.00 0.00 C ATOM 366 C PRO A 314 5.127 -3.569 2.161 1.00 0.00 C ATOM 367 O PRO A 314 4.404 -4.556 2.026 1.00 0.00 O ATOM 368 CB PRO A 314 6.963 -3.154 0.503 1.00 0.00 C ATOM 369 CG PRO A 314 7.560 -1.906 -0.050 1.00 0.00 C ATOM 370 CD PRO A 314 6.982 -0.773 0.757 1.00 0.00 C ATOM 0 HA PRO A 314 4.788 -2.919 0.201 1.00 0.00 H new ATOM 0 HB2 PRO A 314 7.550 -3.538 1.338 1.00 0.00 H new ATOM 0 HB3 PRO A 314 6.925 -3.942 -0.249 1.00 0.00 H new ATOM 0 HG2 PRO A 314 8.647 -1.926 0.029 1.00 0.00 H new ATOM 0 HG3 PRO A 314 7.319 -1.794 -1.107 1.00 0.00 H new ATOM 0 HD2 PRO A 314 7.646 -0.481 1.570 1.00 0.00 H new ATOM 0 HD3 PRO A 314 6.820 0.114 0.144 1.00 0.00 H new ATOM 378 N LEU A 315 5.573 -3.155 3.342 1.00 0.00 N ATOM 379 CA LEU A 315 5.232 -3.854 4.576 1.00 0.00 C ATOM 380 C LEU A 315 4.886 -2.858 5.686 1.00 0.00 C ATOM 381 O LEU A 315 5.715 -2.028 6.057 1.00 0.00 O ATOM 382 CB LEU A 315 6.396 -4.742 5.020 1.00 0.00 C ATOM 383 CG LEU A 315 6.028 -5.841 6.016 1.00 0.00 C ATOM 384 CD1 LEU A 315 5.302 -6.978 5.313 1.00 0.00 C ATOM 385 CD2 LEU A 315 7.273 -6.358 6.721 1.00 0.00 C ATOM 0 H LEU A 315 6.171 -2.339 3.471 1.00 0.00 H new ATOM 0 HA LEU A 315 4.359 -4.478 4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 315 6.837 -5.205 4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 315 7.165 -4.111 5.466 1.00 0.00 H new ATOM 0 HG LEU A 315 5.358 -5.417 6.765 1.00 0.00 H new ATOM 0 HD11 LEU A 315 5.048 -7.751 6.038 1.00 0.00 H new ATOM 0 HD12 LEU A 315 4.390 -6.598 4.853 1.00 0.00 H new ATOM 0 HD13 LEU A 315 5.947 -7.401 4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 315 6.993 -7.140 7.427 1.00 0.00 H new ATOM 0 HD22 LEU A 315 7.966 -6.765 5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 315 7.753 -5.540 7.258 1.00 0.00 H new ATOM 397 N PRO A 316 3.655 -2.920 6.235 1.00 0.00 N ATOM 398 CA PRO A 316 2.627 -3.888 5.832 1.00 0.00 C ATOM 399 C PRO A 316 2.074 -3.596 4.441 1.00 0.00 C ATOM 400 O PRO A 316 2.215 -2.487 3.927 1.00 0.00 O ATOM 401 CB PRO A 316 1.522 -3.720 6.889 1.00 0.00 C ATOM 402 CG PRO A 316 2.125 -2.885 7.970 1.00 0.00 C ATOM 403 CD PRO A 316 3.170 -2.041 7.303 1.00 0.00 C ATOM 0 HA PRO A 316 3.029 -4.900 5.780 1.00 0.00 H new ATOM 0 HB2 PRO A 316 0.643 -3.236 6.464 1.00 0.00 H new ATOM 0 HB3 PRO A 316 1.198 -4.687 7.275 1.00 0.00 H new ATOM 0 HG2 PRO A 316 1.370 -2.264 8.451 1.00 0.00 H new ATOM 0 HG3 PRO A 316 2.565 -3.510 8.747 1.00 0.00 H new ATOM 0 HD2 PRO A 316 2.752 -1.115 6.908 1.00 0.00 H new ATOM 0 HD3 PRO A 316 3.967 -1.762 7.992 1.00 0.00 H new ATOM 411 N SER A 317 1.445 -4.599 3.837 1.00 0.00 N ATOM 412 CA SER A 317 0.869 -4.449 2.505 1.00 0.00 C ATOM 413 C SER A 317 -0.595 -4.023 2.584 1.00 0.00 C ATOM 414 O SER A 317 -1.422 -4.463 1.785 1.00 0.00 O ATOM 415 CB SER A 317 0.990 -5.759 1.725 1.00 0.00 C ATOM 416 OG SER A 317 0.527 -6.855 2.493 1.00 0.00 O ATOM 0 H SER A 317 1.321 -5.524 4.248 1.00 0.00 H new ATOM 0 HA SER A 317 1.425 -3.669 1.984 1.00 0.00 H new ATOM 0 HB2 SER A 317 0.416 -5.690 0.801 1.00 0.00 H new ATOM 0 HB3 SER A 317 2.030 -5.923 1.442 1.00 0.00 H new ATOM 0 HG SER A 317 0.614 -7.680 1.971 1.00 0.00 H new ATOM 422 N HIS A 318 -0.908 -3.162 3.548 1.00 0.00 N ATOM 423 CA HIS A 318 -2.272 -2.675 3.725 1.00 0.00 C ATOM 424 C HIS A 318 -2.282 -1.166 3.945 1.00 0.00 C ATOM 425 O HIS A 318 -1.423 -0.624 4.639 1.00 0.00 O ATOM 426 CB HIS A 318 -2.943 -3.387 4.904 1.00 0.00 C ATOM 427 CG HIS A 318 -2.385 -3.002 6.240 1.00 0.00 C ATOM 428 ND1 HIS A 318 -1.537 -3.814 6.965 1.00 0.00 N ATOM 429 CD2 HIS A 318 -2.559 -1.885 6.984 1.00 0.00 C ATOM 430 CE1 HIS A 318 -1.215 -3.212 8.096 1.00 0.00 C ATOM 431 NE2 HIS A 318 -1.821 -2.041 8.132 1.00 0.00 N ATOM 0 H HIS A 318 -0.236 -2.788 4.218 1.00 0.00 H new ATOM 0 HA HIS A 318 -2.834 -2.894 2.817 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -4.010 -3.167 4.889 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -2.838 -4.464 4.773 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -3.165 -1.030 6.724 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -0.566 -3.611 8.861 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -1.753 -1.361 8.890 1.00 0.00 H new ATOM 440 N CYS A 319 -3.258 -0.492 3.345 1.00 0.00 N ATOM 441 CA CYS A 319 -3.373 0.956 3.472 1.00 0.00 C ATOM 442 C CYS A 319 -3.543 1.372 4.928 1.00 0.00 C ATOM 443 O CYS A 319 -4.533 1.031 5.572 1.00 0.00 O ATOM 444 CB CYS A 319 -4.551 1.472 2.647 1.00 0.00 C ATOM 445 SG CYS A 319 -4.496 3.251 2.333 1.00 0.00 S ATOM 0 H CYS A 319 -3.979 -0.924 2.767 1.00 0.00 H new ATOM 0 HA CYS A 319 -2.450 1.395 3.095 1.00 0.00 H new ATOM 0 HB2 CYS A 319 -4.574 0.944 1.693 1.00 0.00 H new ATOM 0 HB3 CYS A 319 -5.479 1.232 3.166 1.00 0.00 H new ATOM 450 N ASN A 320 -2.573 2.119 5.442 1.00 0.00 N ATOM 451 CA ASN A 320 -2.622 2.587 6.822 1.00 0.00 C ATOM 452 C ASN A 320 -3.742 3.608 7.024 1.00 0.00 C ATOM 453 O ASN A 320 -4.060 3.973 8.156 1.00 0.00 O ATOM 454 CB ASN A 320 -1.280 3.203 7.219 1.00 0.00 C ATOM 455 CG ASN A 320 -0.103 2.327 6.833 1.00 0.00 C ATOM 456 OD1 ASN A 320 0.895 2.807 6.297 1.00 0.00 O ATOM 457 ND2 ASN A 320 -0.216 1.032 7.106 1.00 0.00 N ATOM 0 H ASN A 320 -1.744 2.413 4.925 1.00 0.00 H new ATOM 0 HA ASN A 320 -2.827 1.726 7.459 1.00 0.00 H new ATOM 0 HB2 ASN A 320 -1.176 4.177 6.742 1.00 0.00 H new ATOM 0 HB3 ASN A 320 -1.266 3.372 8.296 1.00 0.00 H new ATOM 0 HD21 ASN A 320 0.543 0.393 6.870 1.00 0.00 H new ATOM 0 HD22 ASN A 320 -1.062 0.677 7.552 1.00 0.00 H new ATOM 464 N ARG A 321 -4.335 4.074 5.925 1.00 0.00 N ATOM 465 CA ARG A 321 -5.409 5.058 5.999 1.00 0.00 C ATOM 466 C ARG A 321 -6.783 4.400 5.870 1.00 0.00 C ATOM 467 O ARG A 321 -7.545 4.347 6.835 1.00 0.00 O ATOM 468 CB ARG A 321 -5.232 6.114 4.905 1.00 0.00 C ATOM 469 CG ARG A 321 -5.444 7.537 5.395 1.00 0.00 C ATOM 470 CD ARG A 321 -6.845 8.034 5.075 1.00 0.00 C ATOM 471 NE ARG A 321 -7.203 9.208 5.868 1.00 0.00 N ATOM 472 CZ ARG A 321 -8.273 9.964 5.633 1.00 0.00 C ATOM 473 NH1 ARG A 321 -9.092 9.673 4.630 1.00 0.00 N ATOM 474 NH2 ARG A 321 -8.525 11.013 6.404 1.00 0.00 N ATOM 0 H ARG A 321 -4.090 3.786 4.978 1.00 0.00 H new ATOM 0 HA ARG A 321 -5.355 5.536 6.977 1.00 0.00 H new ATOM 0 HB2 ARG A 321 -4.229 6.028 4.487 1.00 0.00 H new ATOM 0 HB3 ARG A 321 -5.933 5.909 4.096 1.00 0.00 H new ATOM 0 HG2 ARG A 321 -5.278 7.581 6.471 1.00 0.00 H new ATOM 0 HG3 ARG A 321 -4.709 8.195 4.932 1.00 0.00 H new ATOM 0 HD2 ARG A 321 -6.910 8.279 4.015 1.00 0.00 H new ATOM 0 HD3 ARG A 321 -7.564 7.237 5.262 1.00 0.00 H new ATOM 0 HE ARG A 321 -6.597 9.463 6.648 1.00 0.00 H new ATOM 0 HH11 ARG A 321 -8.903 8.867 4.035 1.00 0.00 H new ATOM 0 HH12 ARG A 321 -9.911 10.256 4.454 1.00 0.00 H new ATOM 0 HH21 ARG A 321 -7.899 11.240 7.177 1.00 0.00 H new ATOM 0 HH22 ARG A 321 -9.345 11.593 6.224 1.00 0.00 H new ATOM 488 N CYS A 322 -7.100 3.916 4.672 1.00 0.00 N ATOM 489 CA CYS A 322 -8.393 3.283 4.422 1.00 0.00 C ATOM 490 C CYS A 322 -8.372 1.790 4.758 1.00 0.00 C ATOM 491 O CYS A 322 -9.422 1.154 4.843 1.00 0.00 O ATOM 492 CB CYS A 322 -8.819 3.503 2.963 1.00 0.00 C ATOM 493 SG CYS A 322 -8.181 2.281 1.785 1.00 0.00 S ATOM 0 H CYS A 322 -6.482 3.949 3.861 1.00 0.00 H new ATOM 0 HA CYS A 322 -9.124 3.753 5.080 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -9.908 3.499 2.914 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -8.490 4.494 2.650 1.00 0.00 H new ATOM 498 N TRP A 323 -7.178 1.230 4.944 1.00 0.00 N ATOM 499 CA TRP A 323 -7.044 -0.188 5.265 1.00 0.00 C ATOM 500 C TRP A 323 -7.505 -1.058 4.100 1.00 0.00 C ATOM 501 O TRP A 323 -8.584 -1.649 4.141 1.00 0.00 O ATOM 502 CB TRP A 323 -7.845 -0.528 6.526 1.00 0.00 C ATOM 503 CG TRP A 323 -6.985 -0.725 7.737 1.00 0.00 C ATOM 504 CD1 TRP A 323 -6.301 0.238 8.423 1.00 0.00 C ATOM 505 CD2 TRP A 323 -6.713 -1.963 8.404 1.00 0.00 C ATOM 506 NE1 TRP A 323 -5.623 -0.325 9.476 1.00 0.00 N ATOM 507 CE2 TRP A 323 -5.859 -1.674 9.486 1.00 0.00 C ATOM 508 CE3 TRP A 323 -7.109 -3.286 8.193 1.00 0.00 C ATOM 509 CZ2 TRP A 323 -5.396 -2.661 10.353 1.00 0.00 C ATOM 510 CZ3 TRP A 323 -6.648 -4.265 9.054 1.00 0.00 C ATOM 511 CH2 TRP A 323 -5.800 -3.948 10.122 1.00 0.00 C ATOM 0 H TRP A 323 -6.294 1.734 4.878 1.00 0.00 H new ATOM 0 HA TRP A 323 -5.990 -0.394 5.450 1.00 0.00 H new ATOM 0 HB2 TRP A 323 -8.559 0.272 6.722 1.00 0.00 H new ATOM 0 HB3 TRP A 323 -8.423 -1.435 6.348 1.00 0.00 H new ATOM 0 HD1 TRP A 323 -6.294 1.289 8.174 1.00 0.00 H new ATOM 0 HE1 TRP A 323 -5.039 0.180 10.142 1.00 0.00 H new ATOM 0 HE3 TRP A 323 -7.763 -3.540 7.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 323 -4.742 -2.419 11.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 323 -6.947 -5.291 8.900 1.00 0.00 H new ATOM 0 HH2 TRP A 323 -5.458 -4.735 10.777 1.00 0.00 H new ATOM 522 N ALA A 324 -6.677 -1.132 3.062 1.00 0.00 N ATOM 523 CA ALA A 324 -6.996 -1.931 1.886 1.00 0.00 C ATOM 524 C ALA A 324 -5.777 -2.713 1.409 1.00 0.00 C ATOM 525 O ALA A 324 -4.930 -2.183 0.690 1.00 0.00 O ATOM 526 CB ALA A 324 -7.527 -1.042 0.772 1.00 0.00 C ATOM 0 H ALA A 324 -5.781 -0.648 3.013 1.00 0.00 H new ATOM 0 HA ALA A 324 -7.770 -2.648 2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -7.761 -1.652 -0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -8.429 -0.533 1.111 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -6.772 -0.303 0.505 1.00 0.00 H new ATOM 532 N LEU A 325 -5.695 -3.977 1.814 1.00 0.00 N ATOM 533 CA LEU A 325 -4.577 -4.833 1.429 1.00 0.00 C ATOM 534 C LEU A 325 -4.446 -4.911 -0.089 1.00 0.00 C ATOM 535 O LEU A 325 -5.441 -4.853 -0.813 1.00 0.00 O ATOM 536 CB LEU A 325 -4.758 -6.236 2.014 1.00 0.00 C ATOM 537 CG LEU A 325 -3.896 -6.540 3.240 1.00 0.00 C ATOM 538 CD1 LEU A 325 -4.629 -6.157 4.516 1.00 0.00 C ATOM 539 CD2 LEU A 325 -3.507 -8.012 3.268 1.00 0.00 C ATOM 0 H LEU A 325 -6.389 -4.431 2.408 1.00 0.00 H new ATOM 0 HA LEU A 325 -3.662 -4.396 1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -5.806 -6.369 2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -4.532 -6.969 1.239 1.00 0.00 H new ATOM 0 HG LEU A 325 -2.985 -5.945 3.176 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -4.000 -6.381 5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -4.856 -5.091 4.499 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -5.557 -6.725 4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -2.894 -8.210 4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -4.407 -8.625 3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -2.941 -8.256 2.369 1.00 0.00 H new ATOM 551 N ARG A 326 -3.212 -5.044 -0.565 1.00 0.00 N ATOM 552 CA ARG A 326 -2.949 -5.130 -1.997 1.00 0.00 C ATOM 553 C ARG A 326 -3.712 -6.295 -2.622 1.00 0.00 C ATOM 554 O ARG A 326 -4.133 -7.218 -1.926 1.00 0.00 O ATOM 555 CB ARG A 326 -1.448 -5.289 -2.253 1.00 0.00 C ATOM 556 CG ARG A 326 -0.923 -4.400 -3.368 1.00 0.00 C ATOM 557 CD ARG A 326 0.589 -4.265 -3.308 1.00 0.00 C ATOM 558 NE ARG A 326 1.266 -5.417 -3.901 1.00 0.00 N ATOM 559 CZ ARG A 326 2.538 -5.408 -4.292 1.00 0.00 C ATOM 560 NH1 ARG A 326 3.275 -4.314 -4.152 1.00 0.00 N ATOM 561 NH2 ARG A 326 3.074 -6.498 -4.825 1.00 0.00 N ATOM 0 H ARG A 326 -2.378 -5.095 0.020 1.00 0.00 H new ATOM 0 HA ARG A 326 -3.293 -4.205 -2.461 1.00 0.00 H new ATOM 0 HB2 ARG A 326 -0.906 -5.064 -1.335 1.00 0.00 H new ATOM 0 HB3 ARG A 326 -1.238 -6.330 -2.500 1.00 0.00 H new ATOM 0 HG2 ARG A 326 -1.214 -4.815 -4.333 1.00 0.00 H new ATOM 0 HG3 ARG A 326 -1.381 -3.413 -3.294 1.00 0.00 H new ATOM 0 HD2 ARG A 326 0.893 -3.358 -3.830 1.00 0.00 H new ATOM 0 HD3 ARG A 326 0.902 -4.155 -2.270 1.00 0.00 H new ATOM 0 HE ARG A 326 0.732 -6.278 -4.022 1.00 0.00 H new ATOM 0 HH11 ARG A 326 2.867 -3.473 -3.743 1.00 0.00 H new ATOM 0 HH12 ARG A 326 4.249 -4.313 -4.454 1.00 0.00 H new ATOM 0 HH21 ARG A 326 2.511 -7.342 -4.935 1.00 0.00 H new ATOM 0 HH22 ARG A 326 4.049 -6.492 -5.125 1.00 0.00 H new ATOM 575 N GLU A 327 -3.889 -6.243 -3.938 1.00 0.00 N ATOM 576 CA GLU A 327 -4.604 -7.292 -4.655 1.00 0.00 C ATOM 577 C GLU A 327 -3.660 -8.423 -5.050 1.00 0.00 C ATOM 578 O GLU A 327 -4.050 -9.591 -5.073 1.00 0.00 O ATOM 579 CB GLU A 327 -5.283 -6.718 -5.900 1.00 0.00 C ATOM 580 CG GLU A 327 -6.708 -6.252 -5.654 1.00 0.00 C ATOM 581 CD GLU A 327 -7.723 -7.363 -5.835 1.00 0.00 C ATOM 582 OE1 GLU A 327 -7.443 -8.501 -5.402 1.00 0.00 O ATOM 583 OE2 GLU A 327 -8.800 -7.096 -6.410 1.00 0.00 O ATOM 0 H GLU A 327 -3.547 -5.486 -4.529 1.00 0.00 H new ATOM 0 HA GLU A 327 -5.366 -7.697 -3.989 1.00 0.00 H new ATOM 0 HB2 GLU A 327 -4.694 -5.879 -6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 327 -5.287 -7.476 -6.684 1.00 0.00 H new ATOM 0 HG2 GLU A 327 -6.787 -5.854 -4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 327 -6.943 -5.436 -6.337 1.00 0.00 H new ATOM 590 N ASN A 328 -2.417 -8.070 -5.360 1.00 0.00 N ATOM 591 CA ASN A 328 -1.418 -9.056 -5.753 1.00 0.00 C ATOM 592 C ASN A 328 -0.180 -8.960 -4.867 1.00 0.00 C ATOM 593 O ASN A 328 0.560 -7.979 -4.923 1.00 0.00 O ATOM 594 CB ASN A 328 -1.026 -8.860 -7.219 1.00 0.00 C ATOM 595 CG ASN A 328 -2.097 -9.349 -8.174 1.00 0.00 C ATOM 596 OD1 ASN A 328 -3.267 -8.986 -8.053 1.00 0.00 O ATOM 597 ND2 ASN A 328 -1.700 -10.179 -9.133 1.00 0.00 N ATOM 0 H ASN A 328 -2.078 -7.108 -5.347 1.00 0.00 H new ATOM 0 HA ASN A 328 -1.855 -10.047 -5.630 1.00 0.00 H new ATOM 0 HB2 ASN A 328 -0.834 -7.803 -7.403 1.00 0.00 H new ATOM 0 HB3 ASN A 328 -0.096 -9.392 -7.418 1.00 0.00 H new ATOM 0 HD21 ASN A 328 -2.376 -10.541 -9.806 1.00 0.00 H new ATOM 0 HD22 ASN A 328 -0.720 -10.454 -9.196 1.00 0.00 H new ATOM 604 N TRP A 329 0.038 -9.986 -4.051 1.00 0.00 N ATOM 605 CA TRP A 329 1.188 -10.017 -3.152 1.00 0.00 C ATOM 606 C TRP A 329 1.736 -11.432 -3.014 1.00 0.00 C ATOM 607 O TRP A 329 2.948 -11.647 -3.066 1.00 0.00 O ATOM 608 CB TRP A 329 0.817 -9.462 -1.771 1.00 0.00 C ATOM 609 CG TRP A 329 -0.622 -9.664 -1.402 1.00 0.00 C ATOM 610 CD1 TRP A 329 -1.710 -9.144 -2.039 1.00 0.00 C ATOM 611 CD2 TRP A 329 -1.127 -10.439 -0.308 1.00 0.00 C ATOM 612 NE1 TRP A 329 -2.862 -9.551 -1.413 1.00 0.00 N ATOM 613 CE2 TRP A 329 -2.532 -10.346 -0.347 1.00 0.00 C ATOM 614 CE3 TRP A 329 -0.531 -11.204 0.699 1.00 0.00 C ATOM 615 CZ2 TRP A 329 -3.347 -10.988 0.581 1.00 0.00 C ATOM 616 CZ3 TRP A 329 -1.341 -11.840 1.620 1.00 0.00 C ATOM 617 CH2 TRP A 329 -2.736 -11.730 1.555 1.00 0.00 C ATOM 0 H TRP A 329 -0.565 -10.806 -3.993 1.00 0.00 H new ATOM 0 HA TRP A 329 1.963 -9.386 -3.586 1.00 0.00 H new ATOM 0 HB2 TRP A 329 1.445 -9.938 -1.018 1.00 0.00 H new ATOM 0 HB3 TRP A 329 1.042 -8.396 -1.746 1.00 0.00 H new ATOM 0 HD1 TRP A 329 -1.671 -8.505 -2.909 1.00 0.00 H new ATOM 0 HE1 TRP A 329 -3.810 -9.302 -1.696 1.00 0.00 H new ATOM 0 HE3 TRP A 329 0.544 -11.296 0.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 329 -4.423 -10.904 0.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 329 -0.891 -12.432 2.403 1.00 0.00 H new ATOM 0 HH2 TRP A 329 -3.342 -12.241 2.289 1.00 0.00 H new ATOM 628 N LEU A 330 0.839 -12.393 -2.839 1.00 0.00 N ATOM 629 CA LEU A 330 1.232 -13.790 -2.693 1.00 0.00 C ATOM 630 C LEU A 330 1.798 -14.336 -4.004 1.00 0.00 C ATOM 631 O LEU A 330 1.201 -14.155 -5.066 1.00 0.00 O ATOM 632 CB LEU A 330 0.036 -14.636 -2.250 1.00 0.00 C ATOM 633 CG LEU A 330 -0.784 -14.048 -1.099 1.00 0.00 C ATOM 634 CD1 LEU A 330 -2.033 -13.360 -1.628 1.00 0.00 C ATOM 635 CD2 LEU A 330 -1.155 -15.133 -0.100 1.00 0.00 C ATOM 0 H LEU A 330 -0.167 -12.232 -2.795 1.00 0.00 H new ATOM 0 HA LEU A 330 2.009 -13.845 -1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 330 -0.622 -14.783 -3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 330 0.397 -15.620 -1.952 1.00 0.00 H new ATOM 0 HG LEU A 330 -0.173 -13.304 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 330 -2.602 -12.949 -0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 330 -1.746 -12.555 -2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 330 -2.647 -14.083 -2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 330 -1.738 -14.697 0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 330 -1.746 -15.901 -0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 330 -0.247 -15.580 0.305 1.00 0.00 H new ATOM 647 N PRO A 331 2.959 -15.015 -3.952 1.00 0.00 N ATOM 648 CA PRO A 331 3.592 -15.584 -5.147 1.00 0.00 C ATOM 649 C PRO A 331 2.647 -16.499 -5.920 1.00 0.00 C ATOM 650 O PRO A 331 1.902 -17.281 -5.329 1.00 0.00 O ATOM 651 CB PRO A 331 4.768 -16.386 -4.585 1.00 0.00 C ATOM 652 CG PRO A 331 5.064 -15.760 -3.267 1.00 0.00 C ATOM 653 CD PRO A 331 3.744 -15.283 -2.732 1.00 0.00 C ATOM 0 HA PRO A 331 3.889 -14.811 -5.856 1.00 0.00 H new ATOM 0 HB2 PRO A 331 4.510 -17.439 -4.473 1.00 0.00 H new ATOM 0 HB3 PRO A 331 5.632 -16.338 -5.248 1.00 0.00 H new ATOM 0 HG2 PRO A 331 5.524 -16.478 -2.588 1.00 0.00 H new ATOM 0 HG3 PRO A 331 5.764 -14.931 -3.376 1.00 0.00 H new ATOM 0 HD2 PRO A 331 3.268 -16.037 -2.105 1.00 0.00 H new ATOM 0 HD3 PRO A 331 3.858 -14.387 -2.122 1.00 0.00 H new ATOM 661 N GLU A 332 2.683 -16.395 -7.244 1.00 0.00 N ATOM 662 CA GLU A 332 1.831 -17.214 -8.098 1.00 0.00 C ATOM 663 C GLU A 332 2.112 -18.698 -7.885 1.00 0.00 C ATOM 664 O GLU A 332 3.262 -19.134 -7.927 1.00 0.00 O ATOM 665 CB GLU A 332 2.046 -16.847 -9.568 1.00 0.00 C ATOM 666 CG GLU A 332 3.475 -17.050 -10.043 1.00 0.00 C ATOM 667 CD GLU A 332 4.150 -15.750 -10.438 1.00 0.00 C ATOM 668 OE1 GLU A 332 3.939 -14.736 -9.742 1.00 0.00 O ATOM 669 OE2 GLU A 332 4.889 -15.748 -11.446 1.00 0.00 O ATOM 0 H GLU A 332 3.293 -15.752 -7.749 1.00 0.00 H new ATOM 0 HA GLU A 332 0.793 -17.018 -7.829 1.00 0.00 H new ATOM 0 HB2 GLU A 332 1.378 -17.448 -10.185 1.00 0.00 H new ATOM 0 HB3 GLU A 332 1.767 -15.804 -9.718 1.00 0.00 H new ATOM 0 HG2 GLU A 332 4.052 -17.529 -9.252 1.00 0.00 H new ATOM 0 HG3 GLU A 332 3.477 -17.730 -10.895 1.00 0.00 H new ATOM 676 N ASP A 333 1.054 -19.469 -7.654 1.00 0.00 N ATOM 677 CA ASP A 333 1.188 -20.904 -7.433 1.00 0.00 C ATOM 678 C ASP A 333 0.342 -21.689 -8.431 1.00 0.00 C ATOM 679 O ASP A 333 -0.886 -21.706 -8.341 1.00 0.00 O ATOM 680 CB ASP A 333 0.779 -21.261 -6.003 1.00 0.00 C ATOM 681 CG ASP A 333 1.972 -21.571 -5.121 1.00 0.00 C ATOM 682 OD1 ASP A 333 2.651 -22.588 -5.377 1.00 0.00 O ATOM 683 OD2 ASP A 333 2.228 -20.799 -4.173 1.00 0.00 O ATOM 0 H ASP A 333 0.095 -19.124 -7.615 1.00 0.00 H new ATOM 0 HA ASP A 333 2.234 -21.174 -7.581 1.00 0.00 H new ATOM 0 HB2 ASP A 333 0.217 -20.433 -5.571 1.00 0.00 H new ATOM 0 HB3 ASP A 333 0.112 -22.123 -6.023 1.00 0.00 H new ATOM 688 N LYS A 334 1.007 -22.340 -9.381 1.00 0.00 N ATOM 689 CA LYS A 334 0.316 -23.127 -10.395 1.00 0.00 C ATOM 690 C LYS A 334 0.006 -24.528 -9.875 1.00 0.00 C ATOM 691 O LYS A 334 0.902 -25.358 -9.724 1.00 0.00 O ATOM 692 CB LYS A 334 1.163 -23.217 -11.665 1.00 0.00 C ATOM 693 CG LYS A 334 2.481 -23.948 -11.467 1.00 0.00 C ATOM 694 CD LYS A 334 3.497 -23.560 -12.529 1.00 0.00 C ATOM 695 CE LYS A 334 4.793 -24.338 -12.371 1.00 0.00 C ATOM 696 NZ LYS A 334 5.451 -24.595 -13.682 1.00 0.00 N ATOM 0 H LYS A 334 2.023 -22.338 -9.469 1.00 0.00 H new ATOM 0 HA LYS A 334 -0.625 -22.629 -10.630 1.00 0.00 H new ATOM 0 HB2 LYS A 334 0.588 -23.725 -12.440 1.00 0.00 H new ATOM 0 HB3 LYS A 334 1.367 -22.210 -12.028 1.00 0.00 H new ATOM 0 HG2 LYS A 334 2.880 -23.719 -10.479 1.00 0.00 H new ATOM 0 HG3 LYS A 334 2.310 -25.024 -11.501 1.00 0.00 H new ATOM 0 HD2 LYS A 334 3.079 -23.745 -13.519 1.00 0.00 H new ATOM 0 HD3 LYS A 334 3.703 -22.492 -12.464 1.00 0.00 H new ATOM 0 HE2 LYS A 334 5.474 -23.782 -11.726 1.00 0.00 H new ATOM 0 HE3 LYS A 334 4.588 -25.287 -11.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 6.331 -25.128 -13.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 4.812 -25.148 -14.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 5.670 -23.689 -14.144 1.00 0.00 H new ATOM 710 N GLY A 335 -1.271 -24.783 -9.604 1.00 0.00 N ATOM 711 CA GLY A 335 -1.676 -26.084 -9.106 1.00 0.00 C ATOM 712 C GLY A 335 -2.828 -25.994 -8.124 1.00 0.00 C ATOM 713 O GLY A 335 -3.908 -25.505 -8.518 1.00 0.00 O ATOM 714 OXT GLY A 335 -2.652 -26.415 -6.961 1.00 0.00 O ATOM 0 H GLY A 335 -2.031 -24.112 -9.720 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -1.966 -26.717 -9.945 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -0.826 -26.565 -8.622 1.00 0.00 H new TER 718 GLY A 335 HETATM 719 ZN ZN A 336 -6.215 3.137 0.830 1.00 0.00 ZN