USER MOD reduce.3.24.130724 H: found=0, std=0, add=334, rem=0, adj=8 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 Set 1.1: A 312 ASN : amide:sc= -1.04! C(o=-1.2!,f=-7!) USER MOD Set 1.2: A 320 ASN : amide:sc= -0.121 X(o=-1.2,f=-1.3) USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 298 SER OG : rot 62:sc= 1.26 USER MOD Single : A 302 TYR OH : rot 180:sc= 0 USER MOD Single : A 304 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 306 THR OG1 : rot -34:sc= 0.465 USER MOD Single : A 307 SER OG : rot 180:sc= 0 USER MOD Single : A 309 ASN : amide:sc= -0.68 K(o=-0.68,f=-2.6!) USER MOD Single : A 311 MET CE :methyl -172:sc= -3.8! (180deg=-4.64!) USER MOD Single : A 317 SER OG : rot 180:sc= 0 USER MOD Single : A 318 HIS :FLIP no HD1:sc= -9.57! C(o=-11!,f=-9.6!) USER MOD Single : A 328 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 334 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 290 6.925 18.920 7.447 1.00 0.00 N ATOM 2 CA SER A 290 5.921 17.876 7.784 1.00 0.00 C ATOM 3 C SER A 290 5.696 16.928 6.609 1.00 0.00 C ATOM 4 O SER A 290 4.565 16.535 6.323 1.00 0.00 O ATOM 5 CB SER A 290 4.611 18.566 8.165 1.00 0.00 C ATOM 6 OG SER A 290 3.986 17.908 9.255 1.00 0.00 O ATOM 0 HA SER A 290 6.289 17.281 8.620 1.00 0.00 H new ATOM 0 HB2 SER A 290 4.807 19.606 8.428 1.00 0.00 H new ATOM 0 HB3 SER A 290 3.938 18.575 7.307 1.00 0.00 H new ATOM 0 HG SER A 290 3.151 18.369 9.480 1.00 0.00 H new ATOM 14 N PHE A 291 6.780 16.565 5.932 1.00 0.00 N ATOM 15 CA PHE A 291 6.700 15.664 4.788 1.00 0.00 C ATOM 16 C PHE A 291 7.836 14.647 4.814 1.00 0.00 C ATOM 17 O PHE A 291 7.619 13.452 4.614 1.00 0.00 O ATOM 18 CB PHE A 291 6.740 16.460 3.481 1.00 0.00 C ATOM 19 CG PHE A 291 5.385 16.685 2.874 1.00 0.00 C ATOM 20 CD1 PHE A 291 4.661 15.624 2.352 1.00 0.00 C ATOM 21 CD2 PHE A 291 4.834 17.956 2.825 1.00 0.00 C ATOM 22 CE1 PHE A 291 3.413 15.827 1.793 1.00 0.00 C ATOM 23 CE2 PHE A 291 3.587 18.165 2.266 1.00 0.00 C ATOM 24 CZ PHE A 291 2.876 17.099 1.749 1.00 0.00 C ATOM 0 H PHE A 291 7.724 16.881 6.155 1.00 0.00 H new ATOM 0 HA PHE A 291 5.755 15.125 4.848 1.00 0.00 H new ATOM 0 HB2 PHE A 291 7.211 17.425 3.667 1.00 0.00 H new ATOM 0 HB3 PHE A 291 7.368 15.933 2.763 1.00 0.00 H new ATOM 0 HD1 PHE A 291 5.077 14.628 2.382 1.00 0.00 H new ATOM 0 HD2 PHE A 291 5.385 18.793 3.228 1.00 0.00 H new ATOM 0 HE1 PHE A 291 2.858 14.992 1.391 1.00 0.00 H new ATOM 0 HE2 PHE A 291 3.169 19.160 2.233 1.00 0.00 H new ATOM 0 HZ PHE A 291 1.902 17.260 1.311 1.00 0.00 H new ATOM 34 N GLU A 292 9.045 15.131 5.061 1.00 0.00 N ATOM 35 CA GLU A 292 10.220 14.268 5.114 1.00 0.00 C ATOM 36 C GLU A 292 10.143 13.316 6.302 1.00 0.00 C ATOM 37 O GLU A 292 10.763 13.550 7.339 1.00 0.00 O ATOM 38 CB GLU A 292 11.494 15.111 5.202 1.00 0.00 C ATOM 39 CG GLU A 292 12.744 14.372 4.753 1.00 0.00 C ATOM 40 CD GLU A 292 13.714 15.269 4.009 1.00 0.00 C ATOM 41 OE1 GLU A 292 14.264 16.198 4.637 1.00 0.00 O ATOM 42 OE2 GLU A 292 13.927 15.040 2.800 1.00 0.00 O ATOM 0 H GLU A 292 9.240 16.118 5.228 1.00 0.00 H new ATOM 0 HA GLU A 292 10.247 13.676 4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 292 11.371 16.005 4.591 1.00 0.00 H new ATOM 0 HB3 GLU A 292 11.629 15.444 6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 292 13.243 13.946 5.624 1.00 0.00 H new ATOM 0 HG3 GLU A 292 12.459 13.539 4.110 1.00 0.00 H new ATOM 49 N GLU A 293 9.379 12.240 6.144 1.00 0.00 N ATOM 50 CA GLU A 293 9.222 11.252 7.204 1.00 0.00 C ATOM 51 C GLU A 293 10.558 10.596 7.539 1.00 0.00 C ATOM 52 O GLU A 293 11.607 11.020 7.054 1.00 0.00 O ATOM 53 CB GLU A 293 8.207 10.185 6.788 1.00 0.00 C ATOM 54 CG GLU A 293 6.889 10.761 6.294 1.00 0.00 C ATOM 55 CD GLU A 293 6.232 11.672 7.312 1.00 0.00 C ATOM 56 OE1 GLU A 293 6.612 12.860 7.377 1.00 0.00 O ATOM 57 OE2 GLU A 293 5.339 11.198 8.044 1.00 0.00 O ATOM 0 H GLU A 293 8.859 12.030 5.292 1.00 0.00 H new ATOM 0 HA GLU A 293 8.857 11.765 8.094 1.00 0.00 H new ATOM 0 HB2 GLU A 293 8.642 9.568 6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 293 8.012 9.529 7.637 1.00 0.00 H new ATOM 0 HG2 GLU A 293 7.063 11.317 5.373 1.00 0.00 H new ATOM 0 HG3 GLU A 293 6.209 9.945 6.050 1.00 0.00 H new ATOM 64 N ASP A 294 10.510 9.561 8.372 1.00 0.00 N ATOM 65 CA ASP A 294 11.718 8.848 8.773 1.00 0.00 C ATOM 66 C ASP A 294 12.005 7.687 7.820 1.00 0.00 C ATOM 67 O ASP A 294 11.250 6.716 7.771 1.00 0.00 O ATOM 68 CB ASP A 294 11.571 8.323 10.202 1.00 0.00 C ATOM 69 CG ASP A 294 12.084 9.307 11.235 1.00 0.00 C ATOM 70 OD1 ASP A 294 11.698 10.492 11.169 1.00 0.00 O ATOM 71 OD2 ASP A 294 12.872 8.891 12.111 1.00 0.00 O ATOM 0 H ASP A 294 9.649 9.198 8.782 1.00 0.00 H new ATOM 0 HA ASP A 294 12.555 9.545 8.732 1.00 0.00 H new ATOM 0 HB2 ASP A 294 10.521 8.106 10.400 1.00 0.00 H new ATOM 0 HB3 ASP A 294 12.114 7.383 10.298 1.00 0.00 H new ATOM 76 N PRO A 295 13.105 7.769 7.047 1.00 0.00 N ATOM 77 CA PRO A 295 13.479 6.714 6.098 1.00 0.00 C ATOM 78 C PRO A 295 13.899 5.428 6.802 1.00 0.00 C ATOM 79 O PRO A 295 14.895 5.402 7.526 1.00 0.00 O ATOM 80 CB PRO A 295 14.661 7.318 5.335 1.00 0.00 C ATOM 81 CG PRO A 295 15.231 8.334 6.263 1.00 0.00 C ATOM 82 CD PRO A 295 14.066 8.887 7.036 1.00 0.00 C ATOM 0 HA PRO A 295 12.645 6.430 5.456 1.00 0.00 H new ATOM 0 HB2 PRO A 295 15.398 6.557 5.080 1.00 0.00 H new ATOM 0 HB3 PRO A 295 14.337 7.774 4.399 1.00 0.00 H new ATOM 0 HG2 PRO A 295 15.965 7.884 6.932 1.00 0.00 H new ATOM 0 HG3 PRO A 295 15.743 9.122 5.712 1.00 0.00 H new ATOM 0 HD2 PRO A 295 14.355 9.179 8.046 1.00 0.00 H new ATOM 0 HD3 PRO A 295 13.648 9.772 6.556 1.00 0.00 H new ATOM 90 N GLU A 296 13.135 4.362 6.586 1.00 0.00 N ATOM 91 CA GLU A 296 13.429 3.074 7.202 1.00 0.00 C ATOM 92 C GLU A 296 13.749 2.021 6.146 1.00 0.00 C ATOM 93 O GLU A 296 14.599 1.155 6.357 1.00 0.00 O ATOM 94 CB GLU A 296 12.246 2.611 8.056 1.00 0.00 C ATOM 95 CG GLU A 296 11.932 3.544 9.214 1.00 0.00 C ATOM 96 CD GLU A 296 11.743 2.804 10.524 1.00 0.00 C ATOM 97 OE1 GLU A 296 10.678 2.176 10.704 1.00 0.00 O ATOM 98 OE2 GLU A 296 12.660 2.854 11.372 1.00 0.00 O ATOM 0 H GLU A 296 12.308 4.365 5.989 1.00 0.00 H new ATOM 0 HA GLU A 296 14.304 3.199 7.840 1.00 0.00 H new ATOM 0 HB2 GLU A 296 11.364 2.522 7.422 1.00 0.00 H new ATOM 0 HB3 GLU A 296 12.459 1.617 8.448 1.00 0.00 H new ATOM 0 HG2 GLU A 296 12.740 4.267 9.323 1.00 0.00 H new ATOM 0 HG3 GLU A 296 11.028 4.109 8.986 1.00 0.00 H new ATOM 105 N ILE A 297 13.061 2.096 5.012 1.00 0.00 N ATOM 106 CA ILE A 297 13.272 1.146 3.926 1.00 0.00 C ATOM 107 C ILE A 297 13.529 1.869 2.603 1.00 0.00 C ATOM 108 O ILE A 297 14.678 2.110 2.232 1.00 0.00 O ATOM 109 CB ILE A 297 12.065 0.189 3.778 1.00 0.00 C ATOM 110 CG1 ILE A 297 11.970 -0.732 4.996 1.00 0.00 C ATOM 111 CG2 ILE A 297 12.174 -0.629 2.498 1.00 0.00 C ATOM 112 CD1 ILE A 297 10.783 -1.670 4.952 1.00 0.00 C ATOM 0 H ILE A 297 12.353 2.805 4.821 1.00 0.00 H new ATOM 0 HA ILE A 297 14.154 0.557 4.178 1.00 0.00 H new ATOM 0 HB ILE A 297 11.156 0.788 3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 297 12.885 -1.320 5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 297 11.909 -0.123 5.898 1.00 0.00 H new ATOM 0 HG21 ILE A 297 11.314 -1.294 2.417 1.00 0.00 H new ATOM 0 HG22 ILE A 297 12.197 0.041 1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 297 13.089 -1.221 2.521 1.00 0.00 H new ATOM 0 HD11 ILE A 297 10.778 -2.293 5.846 1.00 0.00 H new ATOM 0 HD12 ILE A 297 9.862 -1.089 4.910 1.00 0.00 H new ATOM 0 HD13 ILE A 297 10.853 -2.304 4.068 1.00 0.00 H new ATOM 124 N SER A 298 12.456 2.207 1.893 1.00 0.00 N ATOM 125 CA SER A 298 12.570 2.897 0.614 1.00 0.00 C ATOM 126 C SER A 298 11.192 3.154 0.013 1.00 0.00 C ATOM 127 O SER A 298 10.494 2.223 -0.388 1.00 0.00 O ATOM 128 CB SER A 298 13.418 2.076 -0.361 1.00 0.00 C ATOM 129 OG SER A 298 14.777 2.474 -0.315 1.00 0.00 O ATOM 0 H SER A 298 11.497 2.014 2.183 1.00 0.00 H new ATOM 0 HA SER A 298 13.058 3.856 0.789 1.00 0.00 H new ATOM 0 HB2 SER A 298 13.337 1.017 -0.115 1.00 0.00 H new ATOM 0 HB3 SER A 298 13.034 2.198 -1.374 1.00 0.00 H new ATOM 0 HG SER A 298 15.135 2.312 0.583 1.00 0.00 H new ATOM 135 N LEU A 299 10.808 4.425 -0.043 1.00 0.00 N ATOM 136 CA LEU A 299 9.513 4.813 -0.592 1.00 0.00 C ATOM 137 C LEU A 299 9.319 4.255 -2.000 1.00 0.00 C ATOM 138 O LEU A 299 8.193 4.017 -2.435 1.00 0.00 O ATOM 139 CB LEU A 299 9.385 6.337 -0.615 1.00 0.00 C ATOM 140 CG LEU A 299 9.315 7.004 0.760 1.00 0.00 C ATOM 141 CD1 LEU A 299 9.968 8.376 0.722 1.00 0.00 C ATOM 142 CD2 LEU A 299 7.871 7.110 1.226 1.00 0.00 C ATOM 0 H LEU A 299 11.376 5.206 0.286 1.00 0.00 H new ATOM 0 HA LEU A 299 8.738 4.395 0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 299 10.235 6.749 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 299 8.489 6.602 -1.176 1.00 0.00 H new ATOM 0 HG LEU A 299 9.862 6.386 1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 299 9.908 8.835 1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 299 11.014 8.273 0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 299 9.451 9.005 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 299 7.839 7.587 2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 299 7.302 7.707 0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 299 7.436 6.113 1.293 1.00 0.00 H new ATOM 154 N ALA A 300 10.424 4.057 -2.709 1.00 0.00 N ATOM 155 CA ALA A 300 10.379 3.536 -4.070 1.00 0.00 C ATOM 156 C ALA A 300 9.793 2.127 -4.116 1.00 0.00 C ATOM 157 O ALA A 300 9.212 1.720 -5.122 1.00 0.00 O ATOM 158 CB ALA A 300 11.770 3.549 -4.684 1.00 0.00 C ATOM 0 H ALA A 300 11.364 4.250 -2.363 1.00 0.00 H new ATOM 0 HA ALA A 300 9.724 4.185 -4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 300 11.723 3.158 -5.700 1.00 0.00 H new ATOM 0 HB2 ALA A 300 12.148 4.571 -4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 300 12.437 2.928 -4.087 1.00 0.00 H new ATOM 164 N ASP A 301 9.956 1.383 -3.028 1.00 0.00 N ATOM 165 CA ASP A 301 9.447 0.017 -2.954 1.00 0.00 C ATOM 166 C ASP A 301 7.975 -0.016 -2.542 1.00 0.00 C ATOM 167 O ASP A 301 7.333 -1.065 -2.597 1.00 0.00 O ATOM 168 CB ASP A 301 10.279 -0.802 -1.965 1.00 0.00 C ATOM 169 CG ASP A 301 11.705 -1.006 -2.439 1.00 0.00 C ATOM 170 OD1 ASP A 301 11.903 -1.210 -3.656 1.00 0.00 O ATOM 171 OD2 ASP A 301 12.623 -0.962 -1.594 1.00 0.00 O ATOM 0 H ASP A 301 10.436 1.701 -2.186 1.00 0.00 H new ATOM 0 HA ASP A 301 9.528 -0.419 -3.950 1.00 0.00 H new ATOM 0 HB2 ASP A 301 10.289 -0.298 -0.998 1.00 0.00 H new ATOM 0 HB3 ASP A 301 9.807 -1.773 -1.814 1.00 0.00 H new ATOM 176 N TYR A 302 7.445 1.130 -2.123 1.00 0.00 N ATOM 177 CA TYR A 302 6.054 1.220 -1.697 1.00 0.00 C ATOM 178 C TYR A 302 5.105 0.745 -2.787 1.00 0.00 C ATOM 179 O TYR A 302 5.525 0.439 -3.903 1.00 0.00 O ATOM 180 CB TYR A 302 5.711 2.659 -1.335 1.00 0.00 C ATOM 181 CG TYR A 302 6.219 3.069 0.019 1.00 0.00 C ATOM 182 CD1 TYR A 302 7.369 2.501 0.539 1.00 0.00 C ATOM 183 CD2 TYR A 302 5.543 4.011 0.781 1.00 0.00 C ATOM 184 CE1 TYR A 302 7.840 2.855 1.778 1.00 0.00 C ATOM 185 CE2 TYR A 302 6.009 4.377 2.028 1.00 0.00 C ATOM 186 CZ TYR A 302 7.159 3.796 2.524 1.00 0.00 C ATOM 187 OH TYR A 302 7.628 4.154 3.768 1.00 0.00 O ATOM 0 H TYR A 302 7.959 2.009 -2.070 1.00 0.00 H new ATOM 0 HA TYR A 302 5.935 0.575 -0.826 1.00 0.00 H new ATOM 0 HB2 TYR A 302 6.129 3.326 -2.089 1.00 0.00 H new ATOM 0 HB3 TYR A 302 4.629 2.785 -1.363 1.00 0.00 H new ATOM 0 HD1 TYR A 302 7.906 1.765 -0.041 1.00 0.00 H new ATOM 0 HD2 TYR A 302 4.642 4.463 0.394 1.00 0.00 H new ATOM 0 HE1 TYR A 302 8.739 2.400 2.168 1.00 0.00 H new ATOM 0 HE2 TYR A 302 5.477 5.113 2.612 1.00 0.00 H new ATOM 0 HH TYR A 302 7.034 4.828 4.160 1.00 0.00 H new ATOM 197 N TRP A 303 3.815 0.720 -2.465 1.00 0.00 N ATOM 198 CA TRP A 303 2.803 0.323 -3.429 1.00 0.00 C ATOM 199 C TRP A 303 1.662 1.324 -3.440 1.00 0.00 C ATOM 200 O TRP A 303 1.535 2.151 -2.534 1.00 0.00 O ATOM 201 CB TRP A 303 2.274 -1.088 -3.158 1.00 0.00 C ATOM 202 CG TRP A 303 1.829 -1.340 -1.746 1.00 0.00 C ATOM 203 CD1 TRP A 303 2.577 -1.840 -0.714 1.00 0.00 C ATOM 204 CD2 TRP A 303 0.513 -1.129 -1.220 1.00 0.00 C ATOM 205 NE1 TRP A 303 1.802 -1.950 0.421 1.00 0.00 N ATOM 206 CE2 TRP A 303 0.532 -1.518 0.132 1.00 0.00 C ATOM 207 CE3 TRP A 303 -0.680 -0.644 -1.764 1.00 0.00 C ATOM 208 CZ2 TRP A 303 -0.601 -1.440 0.943 1.00 0.00 C ATOM 209 CZ3 TRP A 303 -1.796 -0.565 -0.955 1.00 0.00 C ATOM 210 CH2 TRP A 303 -1.752 -0.961 0.382 1.00 0.00 C ATOM 0 H TRP A 303 3.450 0.970 -1.546 1.00 0.00 H new ATOM 0 HA TRP A 303 3.275 0.310 -4.411 1.00 0.00 H new ATOM 0 HB2 TRP A 303 1.435 -1.280 -3.827 1.00 0.00 H new ATOM 0 HB3 TRP A 303 3.054 -1.807 -3.411 1.00 0.00 H new ATOM 0 HD1 TRP A 303 3.621 -2.109 -0.779 1.00 0.00 H new ATOM 0 HE1 TRP A 303 2.120 -2.296 1.326 1.00 0.00 H new ATOM 0 HE3 TRP A 303 -0.728 -0.337 -2.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 303 -0.570 -1.747 1.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 303 -2.722 -0.189 -1.365 1.00 0.00 H new ATOM 0 HH2 TRP A 303 -2.645 -0.888 0.986 1.00 0.00 H new ATOM 221 N LYS A 304 0.844 1.253 -4.480 1.00 0.00 N ATOM 222 CA LYS A 304 -0.283 2.166 -4.627 1.00 0.00 C ATOM 223 C LYS A 304 -1.605 1.479 -4.316 1.00 0.00 C ATOM 224 O LYS A 304 -1.976 0.495 -4.956 1.00 0.00 O ATOM 225 CB LYS A 304 -0.324 2.746 -6.043 1.00 0.00 C ATOM 226 CG LYS A 304 -1.501 3.680 -6.283 1.00 0.00 C ATOM 227 CD LYS A 304 -1.187 4.703 -7.363 1.00 0.00 C ATOM 228 CE LYS A 304 -0.217 5.762 -6.863 1.00 0.00 C ATOM 229 NZ LYS A 304 0.516 6.417 -7.982 1.00 0.00 N ATOM 0 H LYS A 304 0.938 0.573 -5.235 1.00 0.00 H new ATOM 0 HA LYS A 304 -0.141 2.974 -3.910 1.00 0.00 H new ATOM 0 HB2 LYS A 304 0.603 3.287 -6.232 1.00 0.00 H new ATOM 0 HB3 LYS A 304 -0.368 1.927 -6.761 1.00 0.00 H new ATOM 0 HG2 LYS A 304 -2.375 3.098 -6.574 1.00 0.00 H new ATOM 0 HG3 LYS A 304 -1.754 4.194 -5.356 1.00 0.00 H new ATOM 0 HD2 LYS A 304 -0.761 4.199 -8.230 1.00 0.00 H new ATOM 0 HD3 LYS A 304 -2.110 5.180 -7.693 1.00 0.00 H new ATOM 0 HE2 LYS A 304 -0.763 6.516 -6.296 1.00 0.00 H new ATOM 0 HE3 LYS A 304 0.498 5.305 -6.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 304 1.167 7.132 -7.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 304 1.058 5.702 -8.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 304 -0.164 6.875 -8.622 1.00 0.00 H new ATOM 243 N CYS A 305 -2.314 2.019 -3.336 1.00 0.00 N ATOM 244 CA CYS A 305 -3.607 1.478 -2.938 1.00 0.00 C ATOM 245 C CYS A 305 -4.651 1.742 -4.024 1.00 0.00 C ATOM 246 O CYS A 305 -4.874 2.884 -4.422 1.00 0.00 O ATOM 247 CB CYS A 305 -4.021 2.085 -1.594 1.00 0.00 C ATOM 248 SG CYS A 305 -5.716 1.732 -1.080 1.00 0.00 S ATOM 0 H CYS A 305 -2.015 2.834 -2.800 1.00 0.00 H new ATOM 0 HA CYS A 305 -3.532 0.397 -2.816 1.00 0.00 H new ATOM 0 HB2 CYS A 305 -3.341 1.720 -0.824 1.00 0.00 H new ATOM 0 HB3 CYS A 305 -3.892 3.166 -1.647 1.00 0.00 H new ATOM 254 N THR A 306 -5.261 0.667 -4.519 1.00 0.00 N ATOM 255 CA THR A 306 -6.255 0.763 -5.590 1.00 0.00 C ATOM 256 C THR A 306 -7.550 1.436 -5.136 1.00 0.00 C ATOM 257 O THR A 306 -8.420 1.727 -5.957 1.00 0.00 O ATOM 258 CB THR A 306 -6.567 -0.629 -6.139 1.00 0.00 C ATOM 259 OG1 THR A 306 -7.437 -0.544 -7.254 1.00 0.00 O ATOM 260 CG2 THR A 306 -7.214 -1.543 -5.121 1.00 0.00 C ATOM 0 H THR A 306 -5.085 -0.284 -4.195 1.00 0.00 H new ATOM 0 HA THR A 306 -5.821 1.388 -6.370 1.00 0.00 H new ATOM 0 HB THR A 306 -5.603 -1.051 -6.421 1.00 0.00 H new ATOM 0 HG1 THR A 306 -8.055 0.207 -7.130 1.00 0.00 H new ATOM 0 HG21 THR A 306 -7.409 -2.514 -5.576 1.00 0.00 H new ATOM 0 HG22 THR A 306 -6.546 -1.669 -4.269 1.00 0.00 H new ATOM 0 HG23 THR A 306 -8.154 -1.105 -4.784 1.00 0.00 H new ATOM 268 N SER A 307 -7.684 1.678 -3.839 1.00 0.00 N ATOM 269 CA SER A 307 -8.885 2.309 -3.310 1.00 0.00 C ATOM 270 C SER A 307 -8.779 3.829 -3.359 1.00 0.00 C ATOM 271 O SER A 307 -9.408 4.479 -4.194 1.00 0.00 O ATOM 272 CB SER A 307 -9.145 1.846 -1.876 1.00 0.00 C ATOM 273 OG SER A 307 -10.346 2.404 -1.369 1.00 0.00 O ATOM 0 H SER A 307 -6.980 1.448 -3.137 1.00 0.00 H new ATOM 0 HA SER A 307 -9.723 2.007 -3.938 1.00 0.00 H new ATOM 0 HB2 SER A 307 -9.205 0.758 -1.847 1.00 0.00 H new ATOM 0 HB3 SER A 307 -8.309 2.136 -1.240 1.00 0.00 H new ATOM 0 HG SER A 307 -10.490 2.091 -0.452 1.00 0.00 H new ATOM 279 N CYS A 308 -7.992 4.389 -2.452 1.00 0.00 N ATOM 280 CA CYS A 308 -7.817 5.838 -2.385 1.00 0.00 C ATOM 281 C CYS A 308 -6.557 6.306 -3.116 1.00 0.00 C ATOM 282 O CYS A 308 -6.270 7.503 -3.152 1.00 0.00 O ATOM 283 CB CYS A 308 -7.785 6.314 -0.928 1.00 0.00 C ATOM 284 SG CYS A 308 -6.775 5.295 0.172 1.00 0.00 S ATOM 0 H CYS A 308 -7.464 3.866 -1.753 1.00 0.00 H new ATOM 0 HA CYS A 308 -8.675 6.282 -2.890 1.00 0.00 H new ATOM 0 HB2 CYS A 308 -7.410 7.337 -0.901 1.00 0.00 H new ATOM 0 HB3 CYS A 308 -8.805 6.339 -0.545 1.00 0.00 H new ATOM 290 N ASN A 309 -5.803 5.374 -3.698 1.00 0.00 N ATOM 291 CA ASN A 309 -4.583 5.727 -4.417 1.00 0.00 C ATOM 292 C ASN A 309 -3.508 6.214 -3.451 1.00 0.00 C ATOM 293 O ASN A 309 -2.660 7.031 -3.810 1.00 0.00 O ATOM 294 CB ASN A 309 -4.872 6.806 -5.466 1.00 0.00 C ATOM 295 CG ASN A 309 -4.440 6.389 -6.859 1.00 0.00 C ATOM 296 OD1 ASN A 309 -4.416 5.203 -7.185 1.00 0.00 O ATOM 297 ND2 ASN A 309 -4.094 7.368 -7.688 1.00 0.00 N ATOM 0 H ASN A 309 -6.015 4.376 -3.685 1.00 0.00 H new ATOM 0 HA ASN A 309 -4.217 4.833 -4.922 1.00 0.00 H new ATOM 0 HB2 ASN A 309 -5.939 7.028 -5.471 1.00 0.00 H new ATOM 0 HB3 ASN A 309 -4.357 7.726 -5.189 1.00 0.00 H new ATOM 0 HD21 ASN A 309 -3.793 7.150 -8.638 1.00 0.00 H new ATOM 0 HD22 ASN A 309 -4.129 8.338 -7.375 1.00 0.00 H new ATOM 304 N GLU A 310 -3.545 5.703 -2.224 1.00 0.00 N ATOM 305 CA GLU A 310 -2.570 6.084 -1.209 1.00 0.00 C ATOM 306 C GLU A 310 -1.290 5.275 -1.366 1.00 0.00 C ATOM 307 O GLU A 310 -1.292 4.208 -1.980 1.00 0.00 O ATOM 308 CB GLU A 310 -3.144 5.875 0.194 1.00 0.00 C ATOM 309 CG GLU A 310 -2.647 6.889 1.212 1.00 0.00 C ATOM 310 CD GLU A 310 -3.612 8.043 1.405 1.00 0.00 C ATOM 311 OE1 GLU A 310 -4.837 7.804 1.378 1.00 0.00 O ATOM 312 OE2 GLU A 310 -3.141 9.186 1.582 1.00 0.00 O ATOM 0 H GLU A 310 -4.239 5.025 -1.909 1.00 0.00 H new ATOM 0 HA GLU A 310 -2.339 7.141 -1.343 1.00 0.00 H new ATOM 0 HB2 GLU A 310 -4.232 5.926 0.144 1.00 0.00 H new ATOM 0 HB3 GLU A 310 -2.887 4.873 0.537 1.00 0.00 H new ATOM 0 HG2 GLU A 310 -2.487 6.390 2.168 1.00 0.00 H new ATOM 0 HG3 GLU A 310 -1.681 7.278 0.890 1.00 0.00 H new ATOM 319 N MET A 311 -0.203 5.781 -0.805 1.00 0.00 N ATOM 320 CA MET A 311 1.077 5.097 -0.881 1.00 0.00 C ATOM 321 C MET A 311 1.349 4.347 0.417 1.00 0.00 C ATOM 322 O MET A 311 1.034 4.834 1.503 1.00 0.00 O ATOM 323 CB MET A 311 2.201 6.097 -1.153 1.00 0.00 C ATOM 324 CG MET A 311 2.215 6.631 -2.578 1.00 0.00 C ATOM 325 SD MET A 311 2.507 5.342 -3.807 1.00 0.00 S ATOM 326 CE MET A 311 3.763 4.364 -2.986 1.00 0.00 C ATOM 0 H MET A 311 -0.182 6.663 -0.292 1.00 0.00 H new ATOM 0 HA MET A 311 1.040 4.382 -1.703 1.00 0.00 H new ATOM 0 HB2 MET A 311 2.105 6.934 -0.462 1.00 0.00 H new ATOM 0 HB3 MET A 311 3.158 5.619 -0.944 1.00 0.00 H new ATOM 0 HG2 MET A 311 1.262 7.117 -2.788 1.00 0.00 H new ATOM 0 HG3 MET A 311 2.989 7.394 -2.668 1.00 0.00 H new ATOM 0 HE1 MET A 311 4.149 3.614 -3.676 1.00 0.00 H new ATOM 0 HE2 MET A 311 4.577 5.013 -2.664 1.00 0.00 H new ATOM 0 HE3 MET A 311 3.329 3.869 -2.118 1.00 0.00 H new ATOM 336 N ASN A 312 1.927 3.161 0.301 1.00 0.00 N ATOM 337 CA ASN A 312 2.229 2.347 1.472 1.00 0.00 C ATOM 338 C ASN A 312 3.530 1.580 1.281 1.00 0.00 C ATOM 339 O ASN A 312 3.924 1.289 0.155 1.00 0.00 O ATOM 340 CB ASN A 312 1.087 1.370 1.729 1.00 0.00 C ATOM 341 CG ASN A 312 -0.246 2.072 1.908 1.00 0.00 C ATOM 342 OD1 ASN A 312 -0.584 2.516 3.005 1.00 0.00 O ATOM 343 ND2 ASN A 312 -1.010 2.175 0.826 1.00 0.00 N ATOM 0 H ASN A 312 2.196 2.740 -0.588 1.00 0.00 H new ATOM 0 HA ASN A 312 2.344 3.009 2.330 1.00 0.00 H new ATOM 0 HB2 ASN A 312 1.017 0.670 0.896 1.00 0.00 H new ATOM 0 HB3 ASN A 312 1.308 0.783 2.621 1.00 0.00 H new ATOM 0 HD21 ASN A 312 -1.917 2.637 0.885 1.00 0.00 H new ATOM 0 HD22 ASN A 312 -0.689 1.792 -0.063 1.00 0.00 H new ATOM 350 N PRO A 313 4.218 1.230 2.379 1.00 0.00 N ATOM 351 CA PRO A 313 5.471 0.490 2.304 1.00 0.00 C ATOM 352 C PRO A 313 5.245 -0.994 2.055 1.00 0.00 C ATOM 353 O PRO A 313 4.109 -1.466 2.042 1.00 0.00 O ATOM 354 CB PRO A 313 6.094 0.724 3.676 1.00 0.00 C ATOM 355 CG PRO A 313 4.928 0.863 4.587 1.00 0.00 C ATOM 356 CD PRO A 313 3.833 1.517 3.776 1.00 0.00 C ATOM 0 HA PRO A 313 6.101 0.820 1.477 1.00 0.00 H new ATOM 0 HB2 PRO A 313 6.733 -0.109 3.971 1.00 0.00 H new ATOM 0 HB3 PRO A 313 6.715 1.620 3.684 1.00 0.00 H new ATOM 0 HG2 PRO A 313 4.608 -0.110 4.960 1.00 0.00 H new ATOM 0 HG3 PRO A 313 5.183 1.469 5.456 1.00 0.00 H new ATOM 0 HD2 PRO A 313 2.854 1.102 4.016 1.00 0.00 H new ATOM 0 HD3 PRO A 313 3.780 2.589 3.965 1.00 0.00 H new ATOM 364 N PRO A 314 6.331 -1.745 1.835 1.00 0.00 N ATOM 365 CA PRO A 314 6.269 -3.182 1.572 1.00 0.00 C ATOM 366 C PRO A 314 5.989 -4.012 2.826 1.00 0.00 C ATOM 367 O PRO A 314 5.558 -5.161 2.730 1.00 0.00 O ATOM 368 CB PRO A 314 7.658 -3.515 1.002 1.00 0.00 C ATOM 369 CG PRO A 314 8.377 -2.209 0.863 1.00 0.00 C ATOM 370 CD PRO A 314 7.714 -1.257 1.815 1.00 0.00 C ATOM 0 HA PRO A 314 5.449 -3.423 0.895 1.00 0.00 H new ATOM 0 HB2 PRO A 314 8.200 -4.189 1.666 1.00 0.00 H new ATOM 0 HB3 PRO A 314 7.573 -4.017 0.038 1.00 0.00 H new ATOM 0 HG2 PRO A 314 9.435 -2.321 1.100 1.00 0.00 H new ATOM 0 HG3 PRO A 314 8.317 -1.840 -0.161 1.00 0.00 H new ATOM 0 HD2 PRO A 314 8.170 -1.288 2.804 1.00 0.00 H new ATOM 0 HD3 PRO A 314 7.776 -0.226 1.468 1.00 0.00 H new ATOM 378 N LEU A 315 6.260 -3.443 4.001 1.00 0.00 N ATOM 379 CA LEU A 315 6.060 -4.163 5.260 1.00 0.00 C ATOM 380 C LEU A 315 4.622 -4.665 5.410 1.00 0.00 C ATOM 381 O LEU A 315 4.399 -5.840 5.700 1.00 0.00 O ATOM 382 CB LEU A 315 6.441 -3.282 6.455 1.00 0.00 C ATOM 383 CG LEU A 315 7.776 -2.546 6.317 1.00 0.00 C ATOM 384 CD1 LEU A 315 7.624 -1.081 6.701 1.00 0.00 C ATOM 385 CD2 LEU A 315 8.844 -3.212 7.172 1.00 0.00 C ATOM 0 H LEU A 315 6.616 -2.493 4.108 1.00 0.00 H new ATOM 0 HA LEU A 315 6.714 -5.035 5.239 1.00 0.00 H new ATOM 0 HB2 LEU A 315 5.652 -2.546 6.611 1.00 0.00 H new ATOM 0 HB3 LEU A 315 6.477 -3.904 7.349 1.00 0.00 H new ATOM 0 HG LEU A 315 8.088 -2.597 5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 315 8.584 -0.576 6.596 1.00 0.00 H new ATOM 0 HD12 LEU A 315 6.892 -0.608 6.047 1.00 0.00 H new ATOM 0 HD13 LEU A 315 7.287 -1.009 7.735 1.00 0.00 H new ATOM 0 HD21 LEU A 315 9.786 -2.675 7.061 1.00 0.00 H new ATOM 0 HD22 LEU A 315 8.537 -3.194 8.218 1.00 0.00 H new ATOM 0 HD23 LEU A 315 8.975 -4.245 6.851 1.00 0.00 H new ATOM 397 N PRO A 316 3.624 -3.785 5.219 1.00 0.00 N ATOM 398 CA PRO A 316 2.220 -4.146 5.337 1.00 0.00 C ATOM 399 C PRO A 316 1.625 -4.606 4.014 1.00 0.00 C ATOM 400 O PRO A 316 2.341 -4.803 3.032 1.00 0.00 O ATOM 401 CB PRO A 316 1.580 -2.832 5.769 1.00 0.00 C ATOM 402 CG PRO A 316 2.424 -1.765 5.149 1.00 0.00 C ATOM 403 CD PRO A 316 3.782 -2.368 4.872 1.00 0.00 C ATOM 0 HA PRO A 316 2.061 -4.978 6.023 1.00 0.00 H new ATOM 0 HB2 PRO A 316 0.547 -2.766 5.427 1.00 0.00 H new ATOM 0 HB3 PRO A 316 1.563 -2.740 6.855 1.00 0.00 H new ATOM 0 HG2 PRO A 316 1.969 -1.403 4.227 1.00 0.00 H new ATOM 0 HG3 PRO A 316 2.513 -0.909 5.818 1.00 0.00 H new ATOM 0 HD2 PRO A 316 4.068 -2.243 3.828 1.00 0.00 H new ATOM 0 HD3 PRO A 316 4.558 -1.895 5.473 1.00 0.00 H new ATOM 411 N SER A 317 0.307 -4.766 3.993 1.00 0.00 N ATOM 412 CA SER A 317 -0.388 -5.189 2.787 1.00 0.00 C ATOM 413 C SER A 317 -1.545 -4.245 2.473 1.00 0.00 C ATOM 414 O SER A 317 -1.765 -3.893 1.314 1.00 0.00 O ATOM 415 CB SER A 317 -0.884 -6.627 2.926 1.00 0.00 C ATOM 416 OG SER A 317 -0.030 -7.528 2.242 1.00 0.00 O ATOM 0 H SER A 317 -0.300 -4.609 4.798 1.00 0.00 H new ATOM 0 HA SER A 317 0.316 -5.152 1.956 1.00 0.00 H new ATOM 0 HB2 SER A 317 -0.934 -6.898 3.981 1.00 0.00 H new ATOM 0 HB3 SER A 317 -1.896 -6.706 2.528 1.00 0.00 H new ATOM 0 HG SER A 317 -0.367 -8.442 2.347 1.00 0.00 H new ATOM 422 N HIS A 318 -2.276 -3.809 3.506 1.00 0.00 N ATOM 423 CA HIS A 318 -3.381 -2.881 3.288 1.00 0.00 C ATOM 424 C HIS A 318 -2.927 -1.453 3.483 1.00 0.00 C ATOM 425 O HIS A 318 -1.943 -1.174 4.169 1.00 0.00 O ATOM 426 CB HIS A 318 -4.612 -3.142 4.177 1.00 0.00 C ATOM 427 CG HIS A 318 -4.357 -3.876 5.442 1.00 0.00 C ATOM 428 ND1 HIS A 318 -3.379 -3.742 6.347 1.00 0.00 N flip ATOM 429 CD2 HIS A 318 -5.183 -4.872 5.907 1.00 0.00 C flip ATOM 430 CE1 HIS A 318 -3.618 -4.655 7.346 1.00 0.00 C flip ATOM 431 NE2 HIS A 318 -4.719 -5.326 7.051 1.00 0.00 N flip ATOM 0 H HIS A 318 -2.124 -4.079 4.478 1.00 0.00 H new ATOM 0 HA HIS A 318 -3.693 -3.049 2.257 1.00 0.00 H new ATOM 0 HB2 HIS A 318 -5.068 -2.183 4.422 1.00 0.00 H new ATOM 0 HB3 HIS A 318 -5.343 -3.703 3.595 1.00 0.00 H new ATOM 0 HD2 HIS A 318 -6.074 -5.226 5.410 1.00 0.00 H new ATOM 0 HE1 HIS A 318 -3.008 -4.800 8.226 1.00 0.00 H new ATOM 0 HE2 HIS A 318 -5.136 -6.068 7.614 1.00 0.00 H new ATOM 440 N CYS A 319 -3.663 -0.559 2.860 1.00 0.00 N ATOM 441 CA CYS A 319 -3.376 0.861 2.928 1.00 0.00 C ATOM 442 C CYS A 319 -3.494 1.368 4.362 1.00 0.00 C ATOM 443 O CYS A 319 -4.388 0.960 5.105 1.00 0.00 O ATOM 444 CB CYS A 319 -4.328 1.610 1.992 1.00 0.00 C ATOM 445 SG CYS A 319 -4.435 3.393 2.274 1.00 0.00 S ATOM 0 H CYS A 319 -4.477 -0.793 2.292 1.00 0.00 H new ATOM 0 HA CYS A 319 -2.350 1.041 2.606 1.00 0.00 H new ATOM 0 HB2 CYS A 319 -4.011 1.439 0.963 1.00 0.00 H new ATOM 0 HB3 CYS A 319 -5.325 1.181 2.094 1.00 0.00 H new ATOM 450 N ASN A 320 -2.577 2.255 4.747 1.00 0.00 N ATOM 451 CA ASN A 320 -2.562 2.816 6.096 1.00 0.00 C ATOM 452 C ASN A 320 -3.586 3.939 6.258 1.00 0.00 C ATOM 453 O ASN A 320 -3.347 4.908 6.979 1.00 0.00 O ATOM 454 CB ASN A 320 -1.163 3.337 6.434 1.00 0.00 C ATOM 455 CG ASN A 320 -0.189 2.218 6.744 1.00 0.00 C ATOM 456 OD1 ASN A 320 0.308 2.104 7.865 1.00 0.00 O ATOM 457 ND2 ASN A 320 0.091 1.385 5.748 1.00 0.00 N ATOM 0 H ASN A 320 -1.833 2.601 4.141 1.00 0.00 H new ATOM 0 HA ASN A 320 -2.832 2.017 6.786 1.00 0.00 H new ATOM 0 HB2 ASN A 320 -0.784 3.923 5.597 1.00 0.00 H new ATOM 0 HB3 ASN A 320 -1.225 4.008 7.290 1.00 0.00 H new ATOM 0 HD21 ASN A 320 0.741 0.613 5.896 1.00 0.00 H new ATOM 0 HD22 ASN A 320 -0.344 1.517 4.835 1.00 0.00 H new ATOM 464 N ARG A 321 -4.727 3.798 5.595 1.00 0.00 N ATOM 465 CA ARG A 321 -5.792 4.788 5.671 1.00 0.00 C ATOM 466 C ARG A 321 -7.144 4.098 5.562 1.00 0.00 C ATOM 467 O ARG A 321 -7.984 4.201 6.456 1.00 0.00 O ATOM 468 CB ARG A 321 -5.645 5.826 4.555 1.00 0.00 C ATOM 469 CG ARG A 321 -4.331 6.590 4.594 1.00 0.00 C ATOM 470 CD ARG A 321 -4.345 7.675 5.660 1.00 0.00 C ATOM 471 NE ARG A 321 -4.348 9.014 5.076 1.00 0.00 N ATOM 472 CZ ARG A 321 -4.193 10.131 5.783 1.00 0.00 C ATOM 473 NH1 ARG A 321 -4.023 10.075 7.098 1.00 0.00 N ATOM 474 NH2 ARG A 321 -4.207 11.309 5.172 1.00 0.00 N ATOM 0 H ARG A 321 -4.939 3.001 4.995 1.00 0.00 H new ATOM 0 HA ARG A 321 -5.723 5.301 6.631 1.00 0.00 H new ATOM 0 HB2 ARG A 321 -5.734 5.324 3.591 1.00 0.00 H new ATOM 0 HB3 ARG A 321 -6.469 6.536 4.622 1.00 0.00 H new ATOM 0 HG2 ARG A 321 -3.513 5.897 4.790 1.00 0.00 H new ATOM 0 HG3 ARG A 321 -4.142 7.039 3.619 1.00 0.00 H new ATOM 0 HD2 ARG A 321 -5.225 7.552 6.291 1.00 0.00 H new ATOM 0 HD3 ARG A 321 -3.473 7.562 6.304 1.00 0.00 H new ATOM 0 HE ARG A 321 -4.476 9.098 4.068 1.00 0.00 H new ATOM 0 HH11 ARG A 321 -4.011 9.172 7.573 1.00 0.00 H new ATOM 0 HH12 ARG A 321 -3.905 10.935 7.634 1.00 0.00 H new ATOM 0 HH21 ARG A 321 -4.336 11.358 4.161 1.00 0.00 H new ATOM 0 HH22 ARG A 321 -4.088 12.166 5.713 1.00 0.00 H new ATOM 488 N CYS A 322 -7.338 3.386 4.458 1.00 0.00 N ATOM 489 CA CYS A 322 -8.577 2.662 4.219 1.00 0.00 C ATOM 490 C CYS A 322 -8.433 1.182 4.582 1.00 0.00 C ATOM 491 O CYS A 322 -9.429 0.469 4.710 1.00 0.00 O ATOM 492 CB CYS A 322 -8.999 2.810 2.753 1.00 0.00 C ATOM 493 SG CYS A 322 -8.028 1.820 1.591 1.00 0.00 S ATOM 0 H CYS A 322 -6.648 3.296 3.712 1.00 0.00 H new ATOM 0 HA CYS A 322 -9.349 3.091 4.858 1.00 0.00 H new ATOM 0 HB2 CYS A 322 -10.049 2.531 2.660 1.00 0.00 H new ATOM 0 HB3 CYS A 322 -8.922 3.860 2.470 1.00 0.00 H new ATOM 498 N TRP A 323 -7.191 0.721 4.740 1.00 0.00 N ATOM 499 CA TRP A 323 -6.926 -0.671 5.078 1.00 0.00 C ATOM 500 C TRP A 323 -7.264 -1.594 3.907 1.00 0.00 C ATOM 501 O TRP A 323 -7.717 -2.722 4.105 1.00 0.00 O ATOM 502 CB TRP A 323 -7.709 -1.090 6.326 1.00 0.00 C ATOM 503 CG TRP A 323 -6.839 -1.313 7.524 1.00 0.00 C ATOM 504 CD1 TRP A 323 -6.012 -0.404 8.120 1.00 0.00 C ATOM 505 CD2 TRP A 323 -6.704 -2.528 8.271 1.00 0.00 C ATOM 506 NE1 TRP A 323 -5.374 -0.978 9.192 1.00 0.00 N ATOM 507 CE2 TRP A 323 -5.782 -2.281 9.306 1.00 0.00 C ATOM 508 CE3 TRP A 323 -7.275 -3.799 8.167 1.00 0.00 C ATOM 509 CZ2 TRP A 323 -5.418 -3.260 10.228 1.00 0.00 C ATOM 510 CZ3 TRP A 323 -6.914 -4.769 9.084 1.00 0.00 C ATOM 511 CH2 TRP A 323 -5.993 -4.495 10.102 1.00 0.00 C ATOM 0 H TRP A 323 -6.354 1.295 4.638 1.00 0.00 H new ATOM 0 HA TRP A 323 -5.861 -0.762 5.291 1.00 0.00 H new ATOM 0 HB2 TRP A 323 -8.446 -0.322 6.559 1.00 0.00 H new ATOM 0 HB3 TRP A 323 -8.260 -2.005 6.110 1.00 0.00 H new ATOM 0 HD1 TRP A 323 -5.879 0.617 7.795 1.00 0.00 H new ATOM 0 HE1 TRP A 323 -4.705 -0.510 9.804 1.00 0.00 H new ATOM 0 HE3 TRP A 323 -7.986 -4.020 7.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 323 -4.707 -3.051 11.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 323 -7.350 -5.755 9.014 1.00 0.00 H new ATOM 0 HH2 TRP A 323 -5.731 -5.274 10.802 1.00 0.00 H new ATOM 522 N ALA A 324 -7.020 -1.116 2.689 1.00 0.00 N ATOM 523 CA ALA A 324 -7.279 -1.912 1.495 1.00 0.00 C ATOM 524 C ALA A 324 -6.138 -2.892 1.276 1.00 0.00 C ATOM 525 O ALA A 324 -5.156 -2.570 0.610 1.00 0.00 O ATOM 526 CB ALA A 324 -7.446 -1.014 0.278 1.00 0.00 C ATOM 0 H ALA A 324 -6.645 -0.186 2.505 1.00 0.00 H new ATOM 0 HA ALA A 324 -8.206 -2.468 1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -7.638 -1.627 -0.603 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -8.284 -0.336 0.438 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -6.535 -0.435 0.125 1.00 0.00 H new ATOM 532 N LEU A 325 -6.256 -4.077 1.870 1.00 0.00 N ATOM 533 CA LEU A 325 -5.214 -5.093 1.770 1.00 0.00 C ATOM 534 C LEU A 325 -4.827 -5.381 0.331 1.00 0.00 C ATOM 535 O LEU A 325 -5.271 -6.364 -0.261 1.00 0.00 O ATOM 536 CB LEU A 325 -5.629 -6.372 2.488 1.00 0.00 C ATOM 537 CG LEU A 325 -4.457 -7.212 2.971 1.00 0.00 C ATOM 538 CD1 LEU A 325 -3.745 -6.481 4.087 1.00 0.00 C ATOM 539 CD2 LEU A 325 -4.925 -8.585 3.427 1.00 0.00 C ATOM 0 H LEU A 325 -7.064 -4.357 2.426 1.00 0.00 H new ATOM 0 HA LEU A 325 -4.329 -4.691 2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -6.254 -6.112 3.342 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -6.242 -6.973 1.816 1.00 0.00 H new ATOM 0 HG LEU A 325 -3.761 -7.364 2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -2.904 -7.080 4.436 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -3.380 -5.522 3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -4.438 -6.313 4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -4.068 -9.167 3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -5.637 -8.474 4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -5.406 -9.100 2.595 1.00 0.00 H new ATOM 551 N ARG A 326 -3.961 -4.514 -0.198 1.00 0.00 N ATOM 552 CA ARG A 326 -3.439 -4.621 -1.559 1.00 0.00 C ATOM 553 C ARG A 326 -4.396 -5.351 -2.508 1.00 0.00 C ATOM 554 O ARG A 326 -5.604 -5.396 -2.278 1.00 0.00 O ATOM 555 CB ARG A 326 -2.083 -5.317 -1.505 1.00 0.00 C ATOM 556 CG ARG A 326 -1.083 -4.777 -2.507 1.00 0.00 C ATOM 557 CD ARG A 326 0.220 -4.402 -1.829 1.00 0.00 C ATOM 558 NE ARG A 326 1.246 -4.045 -2.800 1.00 0.00 N ATOM 559 CZ ARG A 326 2.529 -4.396 -2.699 1.00 0.00 C ATOM 560 NH1 ARG A 326 2.961 -5.082 -1.647 1.00 0.00 N ATOM 561 NH2 ARG A 326 3.385 -4.053 -3.651 1.00 0.00 N ATOM 0 H ARG A 326 -3.599 -3.709 0.314 1.00 0.00 H new ATOM 0 HA ARG A 326 -3.331 -3.615 -1.966 1.00 0.00 H new ATOM 0 HB2 ARG A 326 -1.671 -5.214 -0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 326 -2.224 -6.383 -1.683 1.00 0.00 H new ATOM 0 HG2 ARG A 326 -0.894 -5.526 -3.276 1.00 0.00 H new ATOM 0 HG3 ARG A 326 -1.501 -3.904 -3.008 1.00 0.00 H new ATOM 0 HD2 ARG A 326 0.051 -3.564 -1.153 1.00 0.00 H new ATOM 0 HD3 ARG A 326 0.568 -5.237 -1.221 1.00 0.00 H new ATOM 0 HE ARG A 326 0.965 -3.491 -3.609 1.00 0.00 H new ATOM 0 HH11 ARG A 326 2.310 -5.345 -0.907 1.00 0.00 H new ATOM 0 HH12 ARG A 326 3.944 -5.346 -1.579 1.00 0.00 H new ATOM 0 HH21 ARG A 326 3.062 -3.521 -4.460 1.00 0.00 H new ATOM 0 HH22 ARG A 326 4.366 -4.321 -3.575 1.00 0.00 H new ATOM 575 N GLU A 327 -3.849 -5.906 -3.584 1.00 0.00 N ATOM 576 CA GLU A 327 -4.656 -6.621 -4.566 1.00 0.00 C ATOM 577 C GLU A 327 -3.860 -7.739 -5.231 1.00 0.00 C ATOM 578 O GLU A 327 -4.365 -8.846 -5.416 1.00 0.00 O ATOM 579 CB GLU A 327 -5.186 -5.652 -5.625 1.00 0.00 C ATOM 580 CG GLU A 327 -6.644 -5.884 -5.987 1.00 0.00 C ATOM 581 CD GLU A 327 -6.811 -6.596 -7.315 1.00 0.00 C ATOM 582 OE1 GLU A 327 -6.151 -7.638 -7.516 1.00 0.00 O ATOM 583 OE2 GLU A 327 -7.599 -6.113 -8.153 1.00 0.00 O ATOM 0 H GLU A 327 -2.852 -5.875 -3.798 1.00 0.00 H new ATOM 0 HA GLU A 327 -5.498 -7.072 -4.041 1.00 0.00 H new ATOM 0 HB2 GLU A 327 -5.068 -4.631 -5.262 1.00 0.00 H new ATOM 0 HB3 GLU A 327 -4.578 -5.743 -6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 327 -7.120 -6.472 -5.202 1.00 0.00 H new ATOM 0 HG3 GLU A 327 -7.161 -4.925 -6.026 1.00 0.00 H new ATOM 590 N ASN A 328 -2.620 -7.443 -5.594 1.00 0.00 N ATOM 591 CA ASN A 328 -1.761 -8.426 -6.245 1.00 0.00 C ATOM 592 C ASN A 328 -0.569 -8.790 -5.364 1.00 0.00 C ATOM 593 O ASN A 328 0.546 -8.317 -5.587 1.00 0.00 O ATOM 594 CB ASN A 328 -1.270 -7.890 -7.591 1.00 0.00 C ATOM 595 CG ASN A 328 -2.408 -7.618 -8.555 1.00 0.00 C ATOM 596 OD1 ASN A 328 -3.158 -8.524 -8.919 1.00 0.00 O ATOM 597 ND2 ASN A 328 -2.544 -6.365 -8.973 1.00 0.00 N ATOM 0 H ASN A 328 -2.185 -6.532 -5.450 1.00 0.00 H new ATOM 0 HA ASN A 328 -2.350 -9.328 -6.410 1.00 0.00 H new ATOM 0 HB2 ASN A 328 -0.707 -6.971 -7.429 1.00 0.00 H new ATOM 0 HB3 ASN A 328 -0.584 -8.610 -8.037 1.00 0.00 H new ATOM 0 HD21 ASN A 328 -3.293 -6.122 -9.621 1.00 0.00 H new ATOM 0 HD22 ASN A 328 -1.900 -5.645 -8.646 1.00 0.00 H new ATOM 604 N TRP A 329 -0.809 -9.639 -4.368 1.00 0.00 N ATOM 605 CA TRP A 329 0.252 -10.069 -3.461 1.00 0.00 C ATOM 606 C TRP A 329 0.534 -11.559 -3.621 1.00 0.00 C ATOM 607 O TRP A 329 1.520 -11.952 -4.246 1.00 0.00 O ATOM 608 CB TRP A 329 -0.099 -9.758 -1.998 1.00 0.00 C ATOM 609 CG TRP A 329 -1.559 -9.525 -1.741 1.00 0.00 C ATOM 610 CD1 TRP A 329 -2.355 -8.590 -2.334 1.00 0.00 C ATOM 611 CD2 TRP A 329 -2.391 -10.232 -0.815 1.00 0.00 C ATOM 612 NE1 TRP A 329 -3.630 -8.668 -1.833 1.00 0.00 N ATOM 613 CE2 TRP A 329 -3.681 -9.671 -0.902 1.00 0.00 C ATOM 614 CE3 TRP A 329 -2.174 -11.286 0.078 1.00 0.00 C ATOM 615 CZ2 TRP A 329 -4.745 -10.129 -0.129 1.00 0.00 C ATOM 616 CZ3 TRP A 329 -3.232 -11.739 0.844 1.00 0.00 C ATOM 617 CH2 TRP A 329 -4.504 -11.162 0.735 1.00 0.00 C ATOM 0 H TRP A 329 -1.725 -10.042 -4.169 1.00 0.00 H new ATOM 0 HA TRP A 329 1.149 -9.509 -3.725 1.00 0.00 H new ATOM 0 HB2 TRP A 329 0.239 -10.585 -1.374 1.00 0.00 H new ATOM 0 HB3 TRP A 329 0.457 -8.874 -1.685 1.00 0.00 H new ATOM 0 HD1 TRP A 329 -2.029 -7.890 -3.089 1.00 0.00 H new ATOM 0 HE1 TRP A 329 -4.413 -8.075 -2.109 1.00 0.00 H new ATOM 0 HE3 TRP A 329 -1.197 -11.738 0.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 329 -5.726 -9.684 -0.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 329 -3.075 -12.551 1.538 1.00 0.00 H new ATOM 0 HH2 TRP A 329 -5.311 -11.540 1.345 1.00 0.00 H new ATOM 628 N LEU A 330 -0.334 -12.384 -3.049 1.00 0.00 N ATOM 629 CA LEU A 330 -0.173 -13.835 -3.125 1.00 0.00 C ATOM 630 C LEU A 330 -0.132 -14.304 -4.578 1.00 0.00 C ATOM 631 O LEU A 330 -0.817 -13.749 -5.437 1.00 0.00 O ATOM 632 CB LEU A 330 -1.299 -14.559 -2.379 1.00 0.00 C ATOM 633 CG LEU A 330 -2.634 -13.821 -2.328 1.00 0.00 C ATOM 634 CD1 LEU A 330 -3.103 -13.465 -3.729 1.00 0.00 C ATOM 635 CD2 LEU A 330 -3.680 -14.658 -1.607 1.00 0.00 C ATOM 0 H LEU A 330 -1.155 -12.077 -2.528 1.00 0.00 H new ATOM 0 HA LEU A 330 0.775 -14.082 -2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 330 -1.458 -15.529 -2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 330 -0.970 -14.750 -1.358 1.00 0.00 H new ATOM 0 HG LEU A 330 -2.493 -12.895 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 330 -4.056 -12.940 -3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 330 -2.364 -12.823 -4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 330 -3.226 -14.376 -4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 330 -4.625 -14.116 -1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 330 -3.818 -15.602 -2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 330 -3.347 -14.857 -0.588 1.00 0.00 H new ATOM 647 N PRO A 331 0.675 -15.338 -4.872 1.00 0.00 N ATOM 648 CA PRO A 331 0.799 -15.879 -6.230 1.00 0.00 C ATOM 649 C PRO A 331 -0.454 -16.628 -6.671 1.00 0.00 C ATOM 650 O PRO A 331 -0.691 -17.762 -6.256 1.00 0.00 O ATOM 651 CB PRO A 331 1.985 -16.840 -6.122 1.00 0.00 C ATOM 652 CG PRO A 331 2.008 -17.253 -4.691 1.00 0.00 C ATOM 653 CD PRO A 331 1.527 -16.062 -3.909 1.00 0.00 C ATOM 0 HA PRO A 331 0.937 -15.092 -6.972 1.00 0.00 H new ATOM 0 HB2 PRO A 331 1.859 -17.700 -6.780 1.00 0.00 H new ATOM 0 HB3 PRO A 331 2.917 -16.353 -6.409 1.00 0.00 H new ATOM 0 HG2 PRO A 331 1.364 -18.116 -4.523 1.00 0.00 H new ATOM 0 HG3 PRO A 331 3.013 -17.541 -4.384 1.00 0.00 H new ATOM 0 HD2 PRO A 331 0.966 -16.363 -3.024 1.00 0.00 H new ATOM 0 HD3 PRO A 331 2.358 -15.445 -3.565 1.00 0.00 H new ATOM 661 N GLU A 332 -1.255 -15.984 -7.515 1.00 0.00 N ATOM 662 CA GLU A 332 -2.484 -16.588 -8.012 1.00 0.00 C ATOM 663 C GLU A 332 -2.181 -17.813 -8.869 1.00 0.00 C ATOM 664 O GLU A 332 -2.187 -17.741 -10.098 1.00 0.00 O ATOM 665 CB GLU A 332 -3.285 -15.569 -8.824 1.00 0.00 C ATOM 666 CG GLU A 332 -3.782 -14.391 -8.002 1.00 0.00 C ATOM 667 CD GLU A 332 -2.948 -13.141 -8.213 1.00 0.00 C ATOM 668 OE1 GLU A 332 -1.789 -13.269 -8.661 1.00 0.00 O ATOM 669 OE2 GLU A 332 -3.455 -12.035 -7.931 1.00 0.00 O ATOM 0 H GLU A 332 -1.074 -15.044 -7.868 1.00 0.00 H new ATOM 0 HA GLU A 332 -3.076 -16.905 -7.154 1.00 0.00 H new ATOM 0 HB2 GLU A 332 -2.663 -15.197 -9.638 1.00 0.00 H new ATOM 0 HB3 GLU A 332 -4.139 -16.070 -9.279 1.00 0.00 H new ATOM 0 HG2 GLU A 332 -4.819 -14.181 -8.265 1.00 0.00 H new ATOM 0 HG3 GLU A 332 -3.769 -14.658 -6.945 1.00 0.00 H new ATOM 676 N ASP A 333 -1.916 -18.938 -8.211 1.00 0.00 N ATOM 677 CA ASP A 333 -1.611 -20.179 -8.912 1.00 0.00 C ATOM 678 C ASP A 333 -2.445 -21.333 -8.364 1.00 0.00 C ATOM 679 O ASP A 333 -2.106 -21.924 -7.339 1.00 0.00 O ATOM 680 CB ASP A 333 -0.120 -20.504 -8.789 1.00 0.00 C ATOM 681 CG ASP A 333 0.607 -20.396 -10.116 1.00 0.00 C ATOM 682 OD1 ASP A 333 0.449 -21.307 -10.955 1.00 0.00 O ATOM 683 OD2 ASP A 333 1.333 -19.399 -10.314 1.00 0.00 O ATOM 0 H ASP A 333 -1.907 -19.015 -7.194 1.00 0.00 H new ATOM 0 HA ASP A 333 -1.860 -20.045 -9.965 1.00 0.00 H new ATOM 0 HB2 ASP A 333 0.339 -19.825 -8.070 1.00 0.00 H new ATOM 0 HB3 ASP A 333 -0.002 -21.513 -8.394 1.00 0.00 H new ATOM 688 N LYS A 334 -3.538 -21.646 -9.051 1.00 0.00 N ATOM 689 CA LYS A 334 -4.421 -22.729 -8.633 1.00 0.00 C ATOM 690 C LYS A 334 -4.173 -23.985 -9.461 1.00 0.00 C ATOM 691 O LYS A 334 -3.822 -23.904 -10.639 1.00 0.00 O ATOM 692 CB LYS A 334 -5.884 -22.300 -8.761 1.00 0.00 C ATOM 693 CG LYS A 334 -6.262 -21.145 -7.849 1.00 0.00 C ATOM 694 CD LYS A 334 -7.675 -21.297 -7.312 1.00 0.00 C ATOM 695 CE LYS A 334 -7.924 -20.380 -6.126 1.00 0.00 C ATOM 696 NZ LYS A 334 -8.157 -18.972 -6.552 1.00 0.00 N ATOM 0 H LYS A 334 -3.834 -21.165 -9.900 1.00 0.00 H new ATOM 0 HA LYS A 334 -4.206 -22.957 -7.589 1.00 0.00 H new ATOM 0 HB2 LYS A 334 -6.081 -22.015 -9.795 1.00 0.00 H new ATOM 0 HB3 LYS A 334 -6.525 -23.153 -8.538 1.00 0.00 H new ATOM 0 HG2 LYS A 334 -5.560 -21.092 -7.017 1.00 0.00 H new ATOM 0 HG3 LYS A 334 -6.179 -20.206 -8.396 1.00 0.00 H new ATOM 0 HD2 LYS A 334 -8.391 -21.073 -8.102 1.00 0.00 H new ATOM 0 HD3 LYS A 334 -7.842 -22.332 -7.014 1.00 0.00 H new ATOM 0 HE2 LYS A 334 -8.788 -20.737 -5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 334 -7.069 -20.418 -5.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 334 -8.323 -18.379 -5.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 334 -7.323 -18.622 -7.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 334 -8.989 -18.931 -7.175 1.00 0.00 H new ATOM 710 N GLY A 335 -4.356 -25.144 -8.838 1.00 0.00 N ATOM 711 CA GLY A 335 -4.147 -26.401 -9.532 1.00 0.00 C ATOM 712 C GLY A 335 -5.232 -27.416 -9.234 1.00 0.00 C ATOM 713 O GLY A 335 -6.227 -27.461 -9.988 1.00 0.00 O ATOM 714 OXT GLY A 335 -5.086 -28.167 -8.247 1.00 0.00 O ATOM 0 H GLY A 335 -4.646 -25.235 -7.864 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -4.111 -26.218 -10.606 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -3.180 -26.814 -9.246 1.00 0.00 H new TER 718 GLY A 335 HETATM 719 ZN ZN A 336 -6.245 3.132 0.805 1.00 0.00 ZN