USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 514 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 388 ASN : amide:sc= 0.856 K(o=1.8,f=0.81) USER MOD Set 1.2: A 392 TYR OH : rot 180:sc= 0.952 USER MOD Set 2.1: A 364 ASN : amide:sc= 0.727 K(o=0.72,f=-3.4!) USER MOD Set 2.2: A 366 ASN : amide:sc= -0.0102 X(o=0.72,f=0.68) USER MOD Set 3.1: A 324 SER OG : rot -114:sc= 0.869 USER MOD Set 3.2: A 341 THR OG1 : rot -160:sc= -0.0109 USER MOD Set 4.1: A 331 SER OG : rot -51:sc= 0.0198 USER MOD Set 4.2: A 350 THR OG1 : rot 120:sc= -0.0782 USER MOD Set 5.1: A 325 LYS NZ :NH3+ -112:sc= 1.18 (180deg=0) USER MOD Set 5.2: A 340 ASN : amide:sc= -0.88! C(o=0.3!,f=-9.7!) USER MOD Single : A 326 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 327 CYS SG : rot 135:sc= -0.195 USER MOD Single : A 333 THR OG1 : rot 180:sc= 0.0991 USER MOD Single : A 334 SER OG : rot -13:sc= 0.0183 USER MOD Single : A 335 ASN : amide:sc= -0.0899 X(o=-0.09,f=0) USER MOD Single : A 342 LYS NZ :NH3+ -167:sc= 1.07 (180deg=0.843) USER MOD Single : A 346 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 348 HIS : no HD1:sc= -0.0414 X(o=-0.041,f=0) USER MOD Single : A 353 LYS NZ :NH3+ -160:sc= -0.117 (180deg=-0.665) USER MOD Single : A 357 SER OG : rot -63:sc= 0.472 USER MOD Single : A 358 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 359 HIS : no HD1:sc= 0.353 K(o=0.35,f=-2.4!) USER MOD Single : A 360 MET CE :methyl -121:sc= -1.72 (180deg=-5.92!) USER MOD Single : A 365 GLN :FLIP amide:sc= -0.23 F(o=-3.9!,f=-0.23) USER MOD Single : A 368 LYS NZ :NH3+ 142:sc= -0.665! (180deg=-3.53!) USER MOD Single : A 382 HIS : no HE2:sc= -0.118 K(o=-0.11,f=-5.6!) USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 387 TYR OH : rot 180:sc= 0 USER MOD Single : A 390 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 393 ASN : amide:sc= -0.0288 K(o=-0.029,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 323 -7.491 -0.734 2.270 1.00 0.00 N ATOM 2 CA GLY A 323 -6.217 -0.449 1.576 1.00 0.00 C ATOM 3 C GLY A 323 -6.372 0.616 0.517 1.00 0.00 C ATOM 4 O GLY A 323 -7.469 0.838 0.009 1.00 0.00 O ATOM 0 HA2 GLY A 323 -5.472 -0.129 2.304 1.00 0.00 H new ATOM 0 HA3 GLY A 323 -5.842 -1.364 1.117 1.00 0.00 H new ATOM 10 N SER A 324 -5.276 1.270 0.178 1.00 0.00 N ATOM 11 CA SER A 324 -5.292 2.321 -0.818 1.00 0.00 C ATOM 12 C SER A 324 -4.105 2.173 -1.772 1.00 0.00 C ATOM 13 O SER A 324 -3.063 1.613 -1.408 1.00 0.00 O ATOM 14 CB SER A 324 -5.276 3.693 -0.132 1.00 0.00 C ATOM 15 OG SER A 324 -5.200 4.748 -1.074 1.00 0.00 O ATOM 0 H SER A 324 -4.358 1.088 0.583 1.00 0.00 H new ATOM 0 HA SER A 324 -6.207 2.239 -1.405 1.00 0.00 H new ATOM 0 HB2 SER A 324 -6.176 3.808 0.472 1.00 0.00 H new ATOM 0 HB3 SER A 324 -4.426 3.750 0.548 1.00 0.00 H new ATOM 0 HG SER A 324 -4.345 5.216 -0.973 1.00 0.00 H new ATOM 21 N LYS A 325 -4.271 2.661 -2.988 1.00 0.00 N ATOM 22 CA LYS A 325 -3.235 2.561 -4.005 1.00 0.00 C ATOM 23 C LYS A 325 -2.684 3.941 -4.328 1.00 0.00 C ATOM 24 O LYS A 325 -2.921 4.469 -5.412 1.00 0.00 O ATOM 25 CB LYS A 325 -3.776 1.905 -5.296 1.00 0.00 C ATOM 26 CG LYS A 325 -4.349 0.496 -5.123 1.00 0.00 C ATOM 27 CD LYS A 325 -5.728 0.514 -4.475 1.00 0.00 C ATOM 28 CE LYS A 325 -6.318 -0.882 -4.376 1.00 0.00 C ATOM 29 NZ LYS A 325 -7.612 -0.885 -3.652 1.00 0.00 N1+ ATOM 0 H LYS A 325 -5.119 3.134 -3.299 1.00 0.00 H new ATOM 0 HA LYS A 325 -2.438 1.932 -3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 325 -4.553 2.547 -5.712 1.00 0.00 H new ATOM 0 HB3 LYS A 325 -2.970 1.864 -6.029 1.00 0.00 H new ATOM 0 HG2 LYS A 325 -4.412 0.009 -6.096 1.00 0.00 H new ATOM 0 HG3 LYS A 325 -3.670 -0.099 -4.512 1.00 0.00 H new ATOM 0 HD2 LYS A 325 -5.657 0.951 -3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 325 -6.395 1.151 -5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 325 -6.461 -1.287 -5.378 1.00 0.00 H new ATOM 0 HE3 LYS A 325 -5.614 -1.538 -3.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 325 -7.500 -1.379 -2.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 325 -7.915 0.095 -3.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 325 -8.330 -1.373 -4.226 1.00 0.00 H new ATOM 43 N LYS A 326 -1.977 4.524 -3.373 1.00 0.00 N ATOM 44 CA LYS A 326 -1.401 5.862 -3.522 1.00 0.00 C ATOM 45 C LYS A 326 -0.539 5.970 -4.782 1.00 0.00 C ATOM 46 O LYS A 326 0.266 5.085 -5.074 1.00 0.00 O ATOM 47 CB LYS A 326 -0.555 6.196 -2.299 1.00 0.00 C ATOM 48 CG LYS A 326 -0.030 7.620 -2.277 1.00 0.00 C ATOM 49 CD LYS A 326 0.990 7.810 -1.170 1.00 0.00 C ATOM 50 CE LYS A 326 0.403 7.504 0.198 1.00 0.00 C ATOM 51 NZ LYS A 326 1.440 7.515 1.256 1.00 0.00 N1+ ATOM 0 H LYS A 326 -1.783 4.088 -2.471 1.00 0.00 H new ATOM 0 HA LYS A 326 -2.224 6.571 -3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 326 -1.150 6.026 -1.402 1.00 0.00 H new ATOM 0 HB3 LYS A 326 0.290 5.508 -2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 326 0.424 7.858 -3.239 1.00 0.00 H new ATOM 0 HG3 LYS A 326 -0.858 8.314 -2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 326 1.847 7.162 -1.351 1.00 0.00 H new ATOM 0 HD3 LYS A 326 1.357 8.836 -1.187 1.00 0.00 H new ATOM 0 HE2 LYS A 326 -0.367 8.238 0.436 1.00 0.00 H new ATOM 0 HE3 LYS A 326 -0.083 6.529 0.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 326 1.001 7.302 2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 326 2.162 6.797 1.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 326 1.886 8.454 1.295 1.00 0.00 H new ATOM 65 N CYS A 327 -0.710 7.056 -5.514 1.00 0.00 N ATOM 66 CA CYS A 327 0.057 7.297 -6.720 1.00 0.00 C ATOM 67 C CYS A 327 0.822 8.612 -6.605 1.00 0.00 C ATOM 68 O CYS A 327 0.446 9.488 -5.821 1.00 0.00 O ATOM 69 CB CYS A 327 -0.870 7.332 -7.940 1.00 0.00 C ATOM 70 SG CYS A 327 -2.190 8.571 -7.841 1.00 0.00 S ATOM 0 H CYS A 327 -1.381 7.791 -5.290 1.00 0.00 H new ATOM 0 HA CYS A 327 0.772 6.484 -6.846 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -0.272 7.526 -8.830 1.00 0.00 H new ATOM 0 HB3 CYS A 327 -1.321 6.348 -8.067 1.00 0.00 H new ATOM 0 HG CYS A 327 -2.271 9.210 -8.970 1.00 0.00 H new ATOM 76 N ASP A 328 1.898 8.735 -7.361 1.00 0.00 N ATOM 77 CA ASP A 328 2.686 9.967 -7.385 1.00 0.00 C ATOM 78 C ASP A 328 2.133 10.910 -8.434 1.00 0.00 C ATOM 79 O ASP A 328 2.176 12.133 -8.280 1.00 0.00 O ATOM 80 CB ASP A 328 4.156 9.667 -7.691 1.00 0.00 C ATOM 81 CG ASP A 328 4.998 10.928 -7.798 1.00 0.00 C ATOM 82 OD1 ASP A 328 5.119 11.483 -8.911 1.00 0.00 O1- ATOM 83 OD2 ASP A 328 5.550 11.370 -6.768 1.00 0.00 O ATOM 0 H ASP A 328 2.252 7.998 -7.970 1.00 0.00 H new ATOM 0 HA ASP A 328 2.623 10.434 -6.402 1.00 0.00 H new ATOM 0 HB2 ASP A 328 4.563 9.027 -6.908 1.00 0.00 H new ATOM 0 HB3 ASP A 328 4.223 9.109 -8.625 1.00 0.00 H new ATOM 88 N ASP A 329 1.608 10.331 -9.498 1.00 0.00 N ATOM 89 CA ASP A 329 1.044 11.097 -10.598 1.00 0.00 C ATOM 90 C ASP A 329 -0.307 11.706 -10.206 1.00 0.00 C ATOM 91 O ASP A 329 -0.649 11.773 -9.015 1.00 0.00 O ATOM 92 CB ASP A 329 0.911 10.219 -11.855 1.00 0.00 C ATOM 93 CG ASP A 329 0.061 8.984 -11.638 1.00 0.00 C ATOM 94 OD1 ASP A 329 0.609 7.940 -11.227 1.00 0.00 O ATOM 95 OD2 ASP A 329 -1.152 9.044 -11.890 1.00 0.00 O1- ATOM 0 H ASP A 329 1.560 9.320 -9.626 1.00 0.00 H new ATOM 0 HA ASP A 329 1.724 11.918 -10.827 1.00 0.00 H new ATOM 0 HB2 ASP A 329 0.478 10.813 -12.660 1.00 0.00 H new ATOM 0 HB3 ASP A 329 1.905 9.914 -12.183 1.00 0.00 H new ATOM 100 N ASP A 330 -1.062 12.161 -11.201 1.00 0.00 N ATOM 101 CA ASP A 330 -2.347 12.817 -10.952 1.00 0.00 C ATOM 102 C ASP A 330 -3.306 11.911 -10.188 1.00 0.00 C ATOM 103 O ASP A 330 -3.171 10.684 -10.187 1.00 0.00 O ATOM 104 CB ASP A 330 -3.003 13.277 -12.262 1.00 0.00 C ATOM 105 CG ASP A 330 -3.777 12.180 -12.964 1.00 0.00 C ATOM 106 OD1 ASP A 330 -4.961 11.974 -12.623 1.00 0.00 O1- ATOM 107 OD2 ASP A 330 -3.213 11.533 -13.873 1.00 0.00 O ATOM 0 H ASP A 330 -0.809 12.089 -12.187 1.00 0.00 H new ATOM 0 HA ASP A 330 -2.137 13.692 -10.337 1.00 0.00 H new ATOM 0 HB2 ASP A 330 -3.676 14.108 -12.051 1.00 0.00 H new ATOM 0 HB3 ASP A 330 -2.232 13.654 -12.933 1.00 0.00 H new ATOM 112 N SER A 331 -4.268 12.521 -9.545 1.00 0.00 N ATOM 113 CA SER A 331 -5.245 11.801 -8.774 1.00 0.00 C ATOM 114 C SER A 331 -6.656 12.192 -9.213 1.00 0.00 C ATOM 115 O SER A 331 -7.624 12.014 -8.470 1.00 0.00 O ATOM 116 CB SER A 331 -5.048 12.117 -7.299 1.00 0.00 C ATOM 117 OG SER A 331 -3.696 11.902 -6.906 1.00 0.00 O ATOM 0 H SER A 331 -4.395 13.533 -9.542 1.00 0.00 H new ATOM 0 HA SER A 331 -5.118 10.731 -8.936 1.00 0.00 H new ATOM 0 HB2 SER A 331 -5.326 13.153 -7.105 1.00 0.00 H new ATOM 0 HB3 SER A 331 -5.709 11.492 -6.698 1.00 0.00 H new ATOM 0 HG SER A 331 -3.409 11.011 -7.196 1.00 0.00 H new ATOM 123 N GLU A 332 -6.770 12.696 -10.437 1.00 0.00 N ATOM 124 CA GLU A 332 -8.054 13.141 -10.945 1.00 0.00 C ATOM 125 C GLU A 332 -8.949 11.959 -11.258 1.00 0.00 C ATOM 126 O GLU A 332 -10.171 12.039 -11.135 1.00 0.00 O ATOM 127 CB GLU A 332 -7.879 14.031 -12.165 1.00 0.00 C ATOM 128 CG GLU A 332 -7.056 15.272 -11.885 1.00 0.00 C ATOM 129 CD GLU A 332 -7.209 16.316 -12.956 1.00 0.00 C ATOM 130 OE1 GLU A 332 -6.502 16.234 -13.977 1.00 0.00 O ATOM 131 OE2 GLU A 332 -8.045 17.226 -12.785 1.00 0.00 O1- ATOM 0 H GLU A 332 -5.993 12.804 -11.088 1.00 0.00 H new ATOM 0 HA GLU A 332 -8.537 13.733 -10.167 1.00 0.00 H new ATOM 0 HB2 GLU A 332 -7.401 13.458 -12.960 1.00 0.00 H new ATOM 0 HB3 GLU A 332 -8.861 14.329 -12.533 1.00 0.00 H new ATOM 0 HG2 GLU A 332 -7.355 15.694 -10.925 1.00 0.00 H new ATOM 0 HG3 GLU A 332 -6.005 14.996 -11.798 1.00 0.00 H new ATOM 138 N THR A 333 -8.335 10.858 -11.653 1.00 0.00 N ATOM 139 CA THR A 333 -9.050 9.638 -11.892 1.00 0.00 C ATOM 140 C THR A 333 -9.321 8.950 -10.568 1.00 0.00 C ATOM 141 O THR A 333 -8.645 7.993 -10.188 1.00 0.00 O ATOM 142 CB THR A 333 -8.261 8.703 -12.817 1.00 0.00 C ATOM 143 OG1 THR A 333 -6.855 8.994 -12.708 1.00 0.00 O ATOM 144 CG2 THR A 333 -8.713 8.860 -14.261 1.00 0.00 C ATOM 0 H THR A 333 -7.330 10.794 -11.814 1.00 0.00 H new ATOM 0 HA THR A 333 -9.992 9.878 -12.385 1.00 0.00 H new ATOM 0 HB THR A 333 -8.447 7.673 -12.513 1.00 0.00 H new ATOM 0 HG1 THR A 333 -6.350 8.396 -13.298 1.00 0.00 H new ATOM 0 HG21 THR A 333 -8.139 8.187 -14.897 1.00 0.00 H new ATOM 0 HG22 THR A 333 -9.773 8.617 -14.339 1.00 0.00 H new ATOM 0 HG23 THR A 333 -8.552 9.889 -14.583 1.00 0.00 H new ATOM 152 N SER A 334 -10.287 9.473 -9.851 1.00 0.00 N ATOM 153 CA SER A 334 -10.636 8.980 -8.533 1.00 0.00 C ATOM 154 C SER A 334 -11.455 7.699 -8.592 1.00 0.00 C ATOM 155 O SER A 334 -12.377 7.508 -7.800 1.00 0.00 O ATOM 156 CB SER A 334 -11.384 10.053 -7.771 1.00 0.00 C ATOM 157 OG SER A 334 -10.652 11.276 -7.760 1.00 0.00 O ATOM 0 H SER A 334 -10.859 10.258 -10.164 1.00 0.00 H new ATOM 0 HA SER A 334 -9.709 8.738 -8.013 1.00 0.00 H new ATOM 0 HB2 SER A 334 -12.361 10.214 -8.227 1.00 0.00 H new ATOM 0 HB3 SER A 334 -11.560 9.721 -6.748 1.00 0.00 H new ATOM 0 HG SER A 334 -9.734 11.110 -8.059 1.00 0.00 H new ATOM 163 N ASN A 335 -11.084 6.814 -9.491 1.00 0.00 N ATOM 164 CA ASN A 335 -11.749 5.535 -9.624 1.00 0.00 C ATOM 165 C ASN A 335 -11.597 4.730 -8.340 1.00 0.00 C ATOM 166 O ASN A 335 -12.516 4.038 -7.907 1.00 0.00 O ATOM 167 CB ASN A 335 -11.173 4.762 -10.819 1.00 0.00 C ATOM 168 CG ASN A 335 -11.571 3.301 -10.823 1.00 0.00 C ATOM 169 OD1 ASN A 335 -12.616 2.931 -11.349 1.00 0.00 O ATOM 170 ND2 ASN A 335 -10.726 2.462 -10.256 1.00 0.00 N ATOM 0 H ASN A 335 -10.317 6.959 -10.148 1.00 0.00 H new ATOM 0 HA ASN A 335 -12.811 5.704 -9.802 1.00 0.00 H new ATOM 0 HB2 ASN A 335 -11.512 5.228 -11.744 1.00 0.00 H new ATOM 0 HB3 ASN A 335 -10.086 4.837 -10.804 1.00 0.00 H new ATOM 0 HD21 ASN A 335 -10.930 1.463 -10.244 1.00 0.00 H new ATOM 0 HD22 ASN A 335 -9.868 2.812 -9.830 1.00 0.00 H new ATOM 177 N TRP A 336 -10.439 4.855 -7.730 1.00 0.00 N ATOM 178 CA TRP A 336 -10.141 4.155 -6.495 1.00 0.00 C ATOM 179 C TRP A 336 -10.279 5.101 -5.304 1.00 0.00 C ATOM 180 O TRP A 336 -10.786 4.721 -4.253 1.00 0.00 O ATOM 181 CB TRP A 336 -8.731 3.532 -6.548 1.00 0.00 C ATOM 182 CG TRP A 336 -7.649 4.501 -6.937 1.00 0.00 C ATOM 183 CD1 TRP A 336 -7.325 4.905 -8.200 1.00 0.00 C ATOM 184 CD2 TRP A 336 -6.749 5.181 -6.056 1.00 0.00 C ATOM 185 NE1 TRP A 336 -6.292 5.805 -8.157 1.00 0.00 N ATOM 186 CE2 TRP A 336 -5.918 5.991 -6.853 1.00 0.00 C ATOM 187 CE3 TRP A 336 -6.570 5.188 -4.672 1.00 0.00 C ATOM 188 CZ2 TRP A 336 -4.924 6.800 -6.309 1.00 0.00 C ATOM 189 CZ3 TRP A 336 -5.582 5.991 -4.135 1.00 0.00 C ATOM 190 CH2 TRP A 336 -4.772 6.787 -4.951 1.00 0.00 C ATOM 0 H TRP A 336 -9.678 5.442 -8.073 1.00 0.00 H new ATOM 0 HA TRP A 336 -10.859 3.344 -6.372 1.00 0.00 H new ATOM 0 HB2 TRP A 336 -8.494 3.111 -5.571 1.00 0.00 H new ATOM 0 HB3 TRP A 336 -8.737 2.705 -7.258 1.00 0.00 H new ATOM 0 HD1 TRP A 336 -7.812 4.565 -9.102 1.00 0.00 H new ATOM 0 HE1 TRP A 336 -5.870 6.262 -8.965 1.00 0.00 H new ATOM 0 HE3 TRP A 336 -7.191 4.578 -4.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 336 -4.296 7.415 -6.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 336 -5.433 6.004 -3.065 1.00 0.00 H new ATOM 0 HH2 TRP A 336 -4.010 7.404 -4.498 1.00 0.00 H new ATOM 201 N ILE A 337 -9.864 6.352 -5.500 1.00 0.00 N ATOM 202 CA ILE A 337 -9.929 7.384 -4.456 1.00 0.00 C ATOM 203 C ILE A 337 -11.364 7.570 -3.957 1.00 0.00 C ATOM 204 O ILE A 337 -11.588 8.013 -2.840 1.00 0.00 O ATOM 205 CB ILE A 337 -9.363 8.734 -4.980 1.00 0.00 C ATOM 206 CG1 ILE A 337 -7.931 8.538 -5.450 1.00 0.00 C ATOM 207 CG2 ILE A 337 -9.415 9.820 -3.906 1.00 0.00 C ATOM 208 CD1 ILE A 337 -7.408 9.663 -6.300 1.00 0.00 C ATOM 0 H ILE A 337 -9.474 6.682 -6.383 1.00 0.00 H new ATOM 0 HA ILE A 337 -9.315 7.051 -3.619 1.00 0.00 H new ATOM 0 HB ILE A 337 -9.984 9.061 -5.814 1.00 0.00 H new ATOM 0 HG12 ILE A 337 -7.286 8.424 -4.579 1.00 0.00 H new ATOM 0 HG13 ILE A 337 -7.869 7.609 -6.017 1.00 0.00 H new ATOM 0 HG21 ILE A 337 -9.011 10.749 -4.308 1.00 0.00 H new ATOM 0 HG22 ILE A 337 -10.448 9.977 -3.597 1.00 0.00 H new ATOM 0 HG23 ILE A 337 -8.822 9.509 -3.046 1.00 0.00 H new ATOM 0 HD11 ILE A 337 -6.381 9.449 -6.595 1.00 0.00 H new ATOM 0 HD12 ILE A 337 -8.028 9.765 -7.191 1.00 0.00 H new ATOM 0 HD13 ILE A 337 -7.436 10.592 -5.731 1.00 0.00 H new ATOM 220 N ALA A 338 -12.327 7.179 -4.790 1.00 0.00 N ATOM 221 CA ALA A 338 -13.744 7.263 -4.447 1.00 0.00 C ATOM 222 C ALA A 338 -14.056 6.574 -3.111 1.00 0.00 C ATOM 223 O ALA A 338 -15.016 6.936 -2.435 1.00 0.00 O ATOM 224 CB ALA A 338 -14.586 6.654 -5.557 1.00 0.00 C ATOM 0 H ALA A 338 -12.147 6.796 -5.718 1.00 0.00 H new ATOM 0 HA ALA A 338 -13.992 8.319 -4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 338 -15.641 6.721 -5.292 1.00 0.00 H new ATOM 0 HB2 ALA A 338 -14.410 7.196 -6.486 1.00 0.00 H new ATOM 0 HB3 ALA A 338 -14.311 5.608 -5.690 1.00 0.00 H new ATOM 230 N ALA A 339 -13.251 5.578 -2.738 1.00 0.00 N ATOM 231 CA ALA A 339 -13.461 4.881 -1.473 1.00 0.00 C ATOM 232 C ALA A 339 -12.151 4.411 -0.847 1.00 0.00 C ATOM 233 O ALA A 339 -12.154 3.735 0.176 1.00 0.00 O ATOM 234 CB ALA A 339 -14.412 3.708 -1.661 1.00 0.00 C ATOM 0 H ALA A 339 -12.459 5.241 -3.286 1.00 0.00 H new ATOM 0 HA ALA A 339 -13.910 5.596 -0.783 1.00 0.00 H new ATOM 0 HB1 ALA A 339 -14.557 3.200 -0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 339 -15.372 4.073 -2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 339 -13.990 3.010 -2.383 1.00 0.00 H new ATOM 240 N ASN A 340 -11.037 4.772 -1.453 1.00 0.00 N ATOM 241 CA ASN A 340 -9.732 4.365 -0.929 1.00 0.00 C ATOM 242 C ASN A 340 -9.031 5.515 -0.259 1.00 0.00 C ATOM 243 O ASN A 340 -8.169 5.313 0.599 1.00 0.00 O ATOM 244 CB ASN A 340 -8.806 3.820 -2.037 1.00 0.00 C ATOM 245 CG ASN A 340 -9.195 2.454 -2.581 1.00 0.00 C ATOM 246 OD1 ASN A 340 -8.332 1.644 -2.903 1.00 0.00 O ATOM 247 ND2 ASN A 340 -10.473 2.212 -2.726 1.00 0.00 N ATOM 0 H ASN A 340 -11.000 5.340 -2.300 1.00 0.00 H new ATOM 0 HA ASN A 340 -9.932 3.574 -0.206 1.00 0.00 H new ATOM 0 HB2 ASN A 340 -8.791 4.533 -2.862 1.00 0.00 H new ATOM 0 HB3 ASN A 340 -7.790 3.764 -1.646 1.00 0.00 H new ATOM 0 HD21 ASN A 340 -10.782 1.323 -3.119 1.00 0.00 H new ATOM 0 HD22 ASN A 340 -11.160 2.912 -2.446 1.00 0.00 H new ATOM 254 N THR A 341 -9.412 6.717 -0.624 1.00 0.00 N ATOM 255 CA THR A 341 -8.684 7.886 -0.182 1.00 0.00 C ATOM 256 C THR A 341 -9.558 9.125 -0.126 1.00 0.00 C ATOM 257 O THR A 341 -10.726 9.094 -0.508 1.00 0.00 O ATOM 258 CB THR A 341 -7.523 8.155 -1.150 1.00 0.00 C ATOM 259 OG1 THR A 341 -7.588 7.238 -2.249 1.00 0.00 O ATOM 260 CG2 THR A 341 -6.204 8.003 -0.451 1.00 0.00 C ATOM 0 H THR A 341 -10.216 6.912 -1.221 1.00 0.00 H new ATOM 0 HA THR A 341 -8.322 7.680 0.825 1.00 0.00 H new ATOM 0 HB THR A 341 -7.609 9.178 -1.517 1.00 0.00 H new ATOM 0 HG1 THR A 341 -6.711 7.185 -2.683 1.00 0.00 H new ATOM 0 HG21 THR A 341 -5.395 8.198 -1.155 1.00 0.00 H new ATOM 0 HG22 THR A 341 -6.146 8.712 0.374 1.00 0.00 H new ATOM 0 HG23 THR A 341 -6.112 6.988 -0.064 1.00 0.00 H new ATOM 268 N LYS A 342 -8.974 10.212 0.370 1.00 0.00 N ATOM 269 CA LYS A 342 -9.622 11.508 0.410 1.00 0.00 C ATOM 270 C LYS A 342 -8.562 12.589 0.246 1.00 0.00 C ATOM 271 O LYS A 342 -7.372 12.279 0.138 1.00 0.00 O ATOM 272 CB LYS A 342 -10.424 11.730 1.716 1.00 0.00 C ATOM 273 CG LYS A 342 -11.564 10.738 1.924 1.00 0.00 C ATOM 274 CD LYS A 342 -12.614 11.250 2.907 1.00 0.00 C ATOM 275 CE LYS A 342 -12.051 11.456 4.303 1.00 0.00 C ATOM 276 NZ LYS A 342 -13.126 11.693 5.299 1.00 0.00 N1+ ATOM 0 H LYS A 342 -8.030 10.212 0.757 1.00 0.00 H new ATOM 0 HA LYS A 342 -10.343 11.555 -0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 342 -9.742 11.666 2.564 1.00 0.00 H new ATOM 0 HB3 LYS A 342 -10.833 12.741 1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 342 -12.039 10.530 0.965 1.00 0.00 H new ATOM 0 HG3 LYS A 342 -11.158 9.795 2.290 1.00 0.00 H new ATOM 0 HD2 LYS A 342 -13.022 12.192 2.540 1.00 0.00 H new ATOM 0 HD3 LYS A 342 -13.441 10.541 2.953 1.00 0.00 H new ATOM 0 HE2 LYS A 342 -11.471 10.580 4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 342 -11.366 12.304 4.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 342 -12.708 12.044 6.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 342 -13.794 12.399 4.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 342 -13.630 10.803 5.484 1.00 0.00 H new ATOM 290 N GLU A 343 -8.976 13.837 0.233 1.00 0.00 N ATOM 291 CA GLU A 343 -8.036 14.938 0.046 1.00 0.00 C ATOM 292 C GLU A 343 -8.035 15.882 1.237 1.00 0.00 C ATOM 293 O GLU A 343 -8.914 15.817 2.100 1.00 0.00 O ATOM 294 CB GLU A 343 -8.367 15.729 -1.225 1.00 0.00 C ATOM 295 CG GLU A 343 -8.205 14.944 -2.515 1.00 0.00 C ATOM 296 CD GLU A 343 -8.616 15.749 -3.732 1.00 0.00 C ATOM 297 OE1 GLU A 343 -7.781 16.514 -4.262 1.00 0.00 O1- ATOM 298 OE2 GLU A 343 -9.787 15.632 -4.160 1.00 0.00 O ATOM 0 H GLU A 343 -9.949 14.121 0.348 1.00 0.00 H new ATOM 0 HA GLU A 343 -7.044 14.496 -0.050 1.00 0.00 H new ATOM 0 HB2 GLU A 343 -9.395 16.086 -1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 343 -7.726 16.609 -1.267 1.00 0.00 H new ATOM 0 HG2 GLU A 343 -7.165 14.634 -2.621 1.00 0.00 H new ATOM 0 HG3 GLU A 343 -8.805 14.036 -2.463 1.00 0.00 H new ATOM 305 N CYS A 344 -7.025 16.744 1.276 1.00 0.00 N ATOM 306 CA CYS A 344 -6.910 17.761 2.302 1.00 0.00 C ATOM 307 C CYS A 344 -8.012 18.789 2.116 1.00 0.00 C ATOM 308 O CYS A 344 -8.158 19.356 1.035 1.00 0.00 O ATOM 309 CB CYS A 344 -5.538 18.442 2.206 1.00 0.00 C ATOM 310 SG CYS A 344 -5.261 19.817 3.381 1.00 0.00 S ATOM 0 H CYS A 344 -6.266 16.753 0.595 1.00 0.00 H new ATOM 0 HA CYS A 344 -7.008 17.300 3.285 1.00 0.00 H new ATOM 0 HB2 CYS A 344 -4.766 17.689 2.365 1.00 0.00 H new ATOM 0 HB3 CYS A 344 -5.410 18.821 1.192 1.00 0.00 H new ATOM 315 N PRO A 345 -8.793 19.053 3.160 1.00 0.00 N ATOM 316 CA PRO A 345 -9.890 20.015 3.099 1.00 0.00 C ATOM 317 C PRO A 345 -9.391 21.459 3.146 1.00 0.00 C ATOM 318 O PRO A 345 -10.163 22.389 3.388 1.00 0.00 O ATOM 319 CB PRO A 345 -10.706 19.689 4.350 1.00 0.00 C ATOM 320 CG PRO A 345 -9.710 19.143 5.314 1.00 0.00 C ATOM 321 CD PRO A 345 -8.670 18.431 4.490 1.00 0.00 C ATOM 0 HA PRO A 345 -10.457 19.939 2.171 1.00 0.00 H new ATOM 0 HB2 PRO A 345 -11.196 20.578 4.747 1.00 0.00 H new ATOM 0 HB3 PRO A 345 -11.489 18.962 4.135 1.00 0.00 H new ATOM 0 HG2 PRO A 345 -9.259 19.943 5.902 1.00 0.00 H new ATOM 0 HG3 PRO A 345 -10.184 18.458 6.017 1.00 0.00 H new ATOM 0 HD2 PRO A 345 -7.671 18.565 4.904 1.00 0.00 H new ATOM 0 HD3 PRO A 345 -8.857 17.358 4.449 1.00 0.00 H new ATOM 329 N LYS A 346 -8.103 21.636 2.916 1.00 0.00 N ATOM 330 CA LYS A 346 -7.498 22.936 2.926 1.00 0.00 C ATOM 331 C LYS A 346 -6.863 23.274 1.573 1.00 0.00 C ATOM 332 O LYS A 346 -7.198 24.291 0.965 1.00 0.00 O ATOM 333 CB LYS A 346 -6.479 23.022 4.066 1.00 0.00 C ATOM 334 CG LYS A 346 -5.412 24.078 3.872 1.00 0.00 C ATOM 335 CD LYS A 346 -4.808 24.521 5.196 1.00 0.00 C ATOM 336 CE LYS A 346 -5.838 25.214 6.079 1.00 0.00 C ATOM 337 NZ LYS A 346 -5.251 25.677 7.357 1.00 0.00 N1+ ATOM 0 H LYS A 346 -7.454 20.875 2.718 1.00 0.00 H new ATOM 0 HA LYS A 346 -8.275 23.680 3.098 1.00 0.00 H new ATOM 0 HB2 LYS A 346 -7.009 23.225 4.996 1.00 0.00 H new ATOM 0 HB3 LYS A 346 -5.996 22.051 4.180 1.00 0.00 H new ATOM 0 HG2 LYS A 346 -4.626 23.686 3.227 1.00 0.00 H new ATOM 0 HG3 LYS A 346 -5.842 24.940 3.362 1.00 0.00 H new ATOM 0 HD2 LYS A 346 -4.403 23.655 5.720 1.00 0.00 H new ATOM 0 HD3 LYS A 346 -3.975 25.198 5.008 1.00 0.00 H new ATOM 0 HE2 LYS A 346 -6.260 26.065 5.544 1.00 0.00 H new ATOM 0 HE3 LYS A 346 -6.659 24.528 6.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 346 -5.985 26.143 7.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 346 -4.871 24.862 7.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 346 -4.484 26.352 7.162 1.00 0.00 H new ATOM 351 N CYS A 347 -5.961 22.420 1.099 1.00 0.00 N ATOM 352 CA CYS A 347 -5.279 22.678 -0.170 1.00 0.00 C ATOM 353 C CYS A 347 -5.721 21.703 -1.255 1.00 0.00 C ATOM 354 O CYS A 347 -5.339 21.845 -2.424 1.00 0.00 O ATOM 355 CB CYS A 347 -3.763 22.620 0.013 1.00 0.00 C ATOM 356 SG CYS A 347 -3.152 21.050 0.678 1.00 0.00 S ATOM 0 H CYS A 347 -5.686 21.555 1.564 1.00 0.00 H new ATOM 0 HA CYS A 347 -5.556 23.681 -0.493 1.00 0.00 H new ATOM 0 HB2 CYS A 347 -3.285 22.804 -0.949 1.00 0.00 H new ATOM 0 HB3 CYS A 347 -3.458 23.427 0.680 1.00 0.00 H new ATOM 361 N HIS A 348 -6.514 20.718 -0.860 1.00 0.00 N ATOM 362 CA HIS A 348 -7.029 19.704 -1.767 1.00 0.00 C ATOM 363 C HIS A 348 -5.912 18.902 -2.409 1.00 0.00 C ATOM 364 O HIS A 348 -5.632 19.023 -3.610 1.00 0.00 O ATOM 365 CB HIS A 348 -7.971 20.302 -2.824 1.00 0.00 C ATOM 366 CG HIS A 348 -9.308 20.720 -2.270 1.00 0.00 C ATOM 367 ND1 HIS A 348 -10.485 20.318 -2.860 1.00 0.00 N ATOM 368 CD2 HIS A 348 -9.592 21.500 -1.200 1.00 0.00 C ATOM 369 CE1 HIS A 348 -11.454 20.861 -2.135 1.00 0.00 C ATOM 370 NE2 HIS A 348 -10.961 21.584 -1.121 1.00 0.00 N ATOM 0 H HIS A 348 -6.820 20.599 0.106 1.00 0.00 H new ATOM 0 HA HIS A 348 -7.619 19.014 -1.164 1.00 0.00 H new ATOM 0 HB2 HIS A 348 -7.489 21.167 -3.281 1.00 0.00 H new ATOM 0 HB3 HIS A 348 -8.128 19.569 -3.616 1.00 0.00 H new ATOM 0 HD2 HIS A 348 -8.879 21.966 -0.536 1.00 0.00 H new ATOM 0 HE1 HIS A 348 -12.508 20.736 -2.337 1.00 0.00 H new ATOM 0 HE2 HIS A 348 -11.499 22.098 -0.424 1.00 0.00 H new ATOM 378 N VAL A 349 -5.250 18.120 -1.587 1.00 0.00 N ATOM 379 CA VAL A 349 -4.205 17.233 -2.030 1.00 0.00 C ATOM 380 C VAL A 349 -4.555 15.818 -1.598 1.00 0.00 C ATOM 381 O VAL A 349 -5.058 15.617 -0.490 1.00 0.00 O ATOM 382 CB VAL A 349 -2.811 17.638 -1.456 1.00 0.00 C ATOM 383 CG1 VAL A 349 -2.841 17.675 0.053 1.00 0.00 C ATOM 384 CG2 VAL A 349 -1.713 16.697 -1.942 1.00 0.00 C ATOM 0 H VAL A 349 -5.425 18.083 -0.583 1.00 0.00 H new ATOM 0 HA VAL A 349 -4.134 17.296 -3.116 1.00 0.00 H new ATOM 0 HB VAL A 349 -2.584 18.639 -1.824 1.00 0.00 H new ATOM 0 HG11 VAL A 349 -1.859 17.960 0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 349 -3.581 18.403 0.384 1.00 0.00 H new ATOM 0 HG13 VAL A 349 -3.105 16.689 0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 349 -0.756 17.008 -1.523 1.00 0.00 H new ATOM 0 HG22 VAL A 349 -1.937 15.680 -1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 349 -1.661 16.730 -3.030 1.00 0.00 H new ATOM 394 N THR A 350 -4.328 14.856 -2.463 1.00 0.00 N ATOM 395 CA THR A 350 -4.653 13.483 -2.156 1.00 0.00 C ATOM 396 C THR A 350 -3.787 12.961 -1.018 1.00 0.00 C ATOM 397 O THR A 350 -2.571 12.810 -1.156 1.00 0.00 O ATOM 398 CB THR A 350 -4.480 12.589 -3.384 1.00 0.00 C ATOM 399 OG1 THR A 350 -4.861 13.322 -4.553 1.00 0.00 O ATOM 400 CG2 THR A 350 -5.349 11.343 -3.267 1.00 0.00 C ATOM 0 H THR A 350 -3.919 15.000 -3.386 1.00 0.00 H new ATOM 0 HA THR A 350 -5.698 13.456 -1.847 1.00 0.00 H new ATOM 0 HB THR A 350 -3.436 12.282 -3.454 1.00 0.00 H new ATOM 0 HG1 THR A 350 -4.097 13.383 -5.164 1.00 0.00 H new ATOM 0 HG21 THR A 350 -5.212 10.720 -4.151 1.00 0.00 H new ATOM 0 HG22 THR A 350 -5.062 10.781 -2.378 1.00 0.00 H new ATOM 0 HG23 THR A 350 -6.396 11.636 -3.188 1.00 0.00 H new ATOM 408 N ILE A 351 -4.416 12.707 0.107 1.00 0.00 N ATOM 409 CA ILE A 351 -3.732 12.198 1.267 1.00 0.00 C ATOM 410 C ILE A 351 -4.004 10.711 1.366 1.00 0.00 C ATOM 411 O ILE A 351 -4.451 10.117 0.404 1.00 0.00 O ATOM 412 CB ILE A 351 -4.220 12.905 2.559 1.00 0.00 C ATOM 413 CG1 ILE A 351 -5.688 12.574 2.831 1.00 0.00 C ATOM 414 CG2 ILE A 351 -4.021 14.418 2.459 1.00 0.00 C ATOM 415 CD1 ILE A 351 -6.314 13.417 3.911 1.00 0.00 C ATOM 0 H ILE A 351 -5.417 12.849 0.241 1.00 0.00 H new ATOM 0 HA ILE A 351 -2.664 12.388 1.165 1.00 0.00 H new ATOM 0 HB ILE A 351 -3.623 12.537 3.394 1.00 0.00 H new ATOM 0 HG12 ILE A 351 -6.256 12.702 1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 351 -5.767 11.524 3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 351 -4.370 14.892 3.376 1.00 0.00 H new ATOM 0 HG22 ILE A 351 -2.963 14.637 2.317 1.00 0.00 H new ATOM 0 HG23 ILE A 351 -4.588 14.804 1.612 1.00 0.00 H new ATOM 0 HD11 ILE A 351 -7.355 13.122 4.045 1.00 0.00 H new ATOM 0 HD12 ILE A 351 -5.772 13.272 4.846 1.00 0.00 H new ATOM 0 HD13 ILE A 351 -6.268 14.468 3.625 1.00 0.00 H new ATOM 427 N GLU A 352 -3.736 10.118 2.508 1.00 0.00 N ATOM 428 CA GLU A 352 -4.013 8.702 2.705 1.00 0.00 C ATOM 429 C GLU A 352 -3.981 8.365 4.175 1.00 0.00 C ATOM 430 O GLU A 352 -2.993 8.644 4.866 1.00 0.00 O ATOM 431 CB GLU A 352 -3.030 7.822 1.934 1.00 0.00 C ATOM 432 CG GLU A 352 -3.470 6.370 1.857 1.00 0.00 C ATOM 433 CD GLU A 352 -2.506 5.502 1.092 1.00 0.00 C ATOM 434 OE1 GLU A 352 -2.666 5.369 -0.134 1.00 0.00 O1- ATOM 435 OE2 GLU A 352 -1.589 4.933 1.723 1.00 0.00 O ATOM 0 H GLU A 352 -3.328 10.588 3.316 1.00 0.00 H new ATOM 0 HA GLU A 352 -5.010 8.500 2.314 1.00 0.00 H new ATOM 0 HB2 GLU A 352 -2.914 8.215 0.924 1.00 0.00 H new ATOM 0 HB3 GLU A 352 -2.051 7.875 2.411 1.00 0.00 H new ATOM 0 HG2 GLU A 352 -3.582 5.976 2.867 1.00 0.00 H new ATOM 0 HG3 GLU A 352 -4.451 6.318 1.384 1.00 0.00 H new ATOM 442 N LYS A 353 -5.059 7.773 4.654 1.00 0.00 N ATOM 443 CA LYS A 353 -5.197 7.446 6.060 1.00 0.00 C ATOM 444 C LYS A 353 -4.158 6.423 6.504 1.00 0.00 C ATOM 445 O LYS A 353 -3.808 5.504 5.760 1.00 0.00 O ATOM 446 CB LYS A 353 -6.607 6.940 6.349 1.00 0.00 C ATOM 447 CG LYS A 353 -6.867 6.580 7.805 1.00 0.00 C ATOM 448 CD LYS A 353 -6.819 7.797 8.721 1.00 0.00 C ATOM 449 CE LYS A 353 -7.215 7.421 10.142 1.00 0.00 C ATOM 450 NZ LYS A 353 -8.532 6.732 10.196 1.00 0.00 N1+ ATOM 0 H LYS A 353 -5.860 7.506 4.082 1.00 0.00 H new ATOM 0 HA LYS A 353 -5.024 8.357 6.633 1.00 0.00 H new ATOM 0 HB2 LYS A 353 -7.322 7.704 6.044 1.00 0.00 H new ATOM 0 HB3 LYS A 353 -6.797 6.062 5.732 1.00 0.00 H new ATOM 0 HG2 LYS A 353 -7.843 6.103 7.890 1.00 0.00 H new ATOM 0 HG3 LYS A 353 -6.126 5.851 8.134 1.00 0.00 H new ATOM 0 HD2 LYS A 353 -5.814 8.220 8.719 1.00 0.00 H new ATOM 0 HD3 LYS A 353 -7.490 8.568 8.344 1.00 0.00 H new ATOM 0 HE2 LYS A 353 -6.450 6.773 10.571 1.00 0.00 H new ATOM 0 HE3 LYS A 353 -7.252 8.320 10.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 353 -8.918 6.796 11.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 353 -9.189 7.185 9.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 353 -8.411 5.732 9.937 1.00 0.00 H new ATOM 464 N ASP A 354 -3.665 6.608 7.714 1.00 0.00 N ATOM 465 CA ASP A 354 -2.668 5.727 8.291 1.00 0.00 C ATOM 466 C ASP A 354 -3.308 4.451 8.818 1.00 0.00 C ATOM 467 O ASP A 354 -2.888 3.349 8.480 1.00 0.00 O ATOM 468 CB ASP A 354 -1.925 6.441 9.416 1.00 0.00 C ATOM 469 CG ASP A 354 -1.062 5.502 10.222 1.00 0.00 C ATOM 470 OD1 ASP A 354 0.000 5.080 9.716 1.00 0.00 O ATOM 471 OD2 ASP A 354 -1.441 5.183 11.367 1.00 0.00 O1- ATOM 0 H ASP A 354 -3.945 7.375 8.325 1.00 0.00 H new ATOM 0 HA ASP A 354 -1.959 5.457 7.508 1.00 0.00 H new ATOM 0 HB2 ASP A 354 -1.303 7.230 8.993 1.00 0.00 H new ATOM 0 HB3 ASP A 354 -2.647 6.923 10.075 1.00 0.00 H new ATOM 476 N GLY A 355 -4.315 4.612 9.660 1.00 0.00 N ATOM 477 CA GLY A 355 -5.010 3.466 10.199 1.00 0.00 C ATOM 478 C GLY A 355 -4.899 3.380 11.704 1.00 0.00 C ATOM 479 O GLY A 355 -5.898 3.223 12.397 1.00 0.00 O ATOM 0 H GLY A 355 -4.663 5.516 9.979 1.00 0.00 H new ATOM 0 HA2 GLY A 355 -6.062 3.517 9.917 1.00 0.00 H new ATOM 0 HA3 GLY A 355 -4.605 2.557 9.755 1.00 0.00 H new ATOM 483 N GLY A 356 -3.682 3.498 12.209 1.00 0.00 N ATOM 484 CA GLY A 356 -3.471 3.424 13.640 1.00 0.00 C ATOM 485 C GLY A 356 -3.663 4.766 14.308 1.00 0.00 C ATOM 486 O GLY A 356 -4.010 4.842 15.490 1.00 0.00 O ATOM 0 H GLY A 356 -2.837 3.643 11.656 1.00 0.00 H new ATOM 0 HA2 GLY A 356 -4.163 2.701 14.072 1.00 0.00 H new ATOM 0 HA3 GLY A 356 -2.463 3.060 13.840 1.00 0.00 H new ATOM 490 N SER A 357 -3.435 5.822 13.556 1.00 0.00 N ATOM 491 CA SER A 357 -3.586 7.161 14.068 1.00 0.00 C ATOM 492 C SER A 357 -4.756 7.880 13.399 1.00 0.00 C ATOM 493 O SER A 357 -4.963 7.763 12.187 1.00 0.00 O ATOM 494 CB SER A 357 -2.289 7.943 13.851 1.00 0.00 C ATOM 495 OG SER A 357 -1.827 7.802 12.511 1.00 0.00 O ATOM 0 H SER A 357 -3.142 5.774 12.580 1.00 0.00 H new ATOM 0 HA SER A 357 -3.799 7.101 15.135 1.00 0.00 H new ATOM 0 HB2 SER A 357 -2.454 8.997 14.074 1.00 0.00 H new ATOM 0 HB3 SER A 357 -1.525 7.587 14.542 1.00 0.00 H new ATOM 0 HG SER A 357 -1.615 6.861 12.335 1.00 0.00 H new ATOM 501 N ASN A 358 -5.527 8.606 14.195 1.00 0.00 N ATOM 502 CA ASN A 358 -6.627 9.410 13.680 1.00 0.00 C ATOM 503 C ASN A 358 -6.119 10.791 13.357 1.00 0.00 C ATOM 504 O ASN A 358 -6.760 11.552 12.627 1.00 0.00 O ATOM 505 CB ASN A 358 -7.775 9.499 14.694 1.00 0.00 C ATOM 506 CG ASN A 358 -8.614 8.243 14.741 1.00 0.00 C ATOM 507 OD1 ASN A 358 -8.294 7.298 15.453 1.00 0.00 O ATOM 508 ND2 ASN A 358 -9.701 8.226 13.991 1.00 0.00 N ATOM 0 H ASN A 358 -5.410 8.655 15.207 1.00 0.00 H new ATOM 0 HA ASN A 358 -7.014 8.934 12.779 1.00 0.00 H new ATOM 0 HB2 ASN A 358 -7.364 9.693 15.685 1.00 0.00 H new ATOM 0 HB3 ASN A 358 -8.412 10.347 14.441 1.00 0.00 H new ATOM 0 HD21 ASN A 358 -10.308 7.406 13.991 1.00 0.00 H new ATOM 0 HD22 ASN A 358 -9.934 9.033 13.412 1.00 0.00 H new ATOM 515 N HIS A 359 -4.951 11.105 13.912 1.00 0.00 N ATOM 516 CA HIS A 359 -4.299 12.379 13.702 1.00 0.00 C ATOM 517 C HIS A 359 -3.729 12.427 12.288 1.00 0.00 C ATOM 518 O HIS A 359 -2.548 12.148 12.063 1.00 0.00 O ATOM 519 CB HIS A 359 -3.185 12.569 14.741 1.00 0.00 C ATOM 520 CG HIS A 359 -2.711 13.985 14.924 1.00 0.00 C ATOM 521 ND1 HIS A 359 -2.208 14.408 16.129 1.00 0.00 N ATOM 522 CD2 HIS A 359 -2.662 15.015 14.039 1.00 0.00 C ATOM 523 CE1 HIS A 359 -1.864 15.668 15.955 1.00 0.00 C ATOM 524 NE2 HIS A 359 -2.116 16.080 14.710 1.00 0.00 N ATOM 0 H HIS A 359 -4.433 10.473 14.523 1.00 0.00 H new ATOM 0 HA HIS A 359 -5.021 13.187 13.819 1.00 0.00 H new ATOM 0 HB2 HIS A 359 -3.539 12.195 15.702 1.00 0.00 H new ATOM 0 HB3 HIS A 359 -2.333 11.953 14.453 1.00 0.00 H new ATOM 0 HD2 HIS A 359 -2.989 14.999 13.010 1.00 0.00 H new ATOM 0 HE1 HIS A 359 -1.432 16.291 16.724 1.00 0.00 H new ATOM 0 HE2 HIS A 359 -1.937 17.010 14.330 1.00 0.00 H new ATOM 532 N MET A 360 -4.586 12.733 11.347 1.00 0.00 N ATOM 533 CA MET A 360 -4.213 12.809 9.952 1.00 0.00 C ATOM 534 C MET A 360 -3.721 14.200 9.596 1.00 0.00 C ATOM 535 O MET A 360 -4.393 15.197 9.855 1.00 0.00 O ATOM 536 CB MET A 360 -5.407 12.408 9.063 1.00 0.00 C ATOM 537 CG MET A 360 -5.422 13.069 7.685 1.00 0.00 C ATOM 538 SD MET A 360 -4.081 12.518 6.619 1.00 0.00 S ATOM 539 CE MET A 360 -4.584 10.840 6.313 1.00 0.00 C ATOM 0 H MET A 360 -5.569 12.938 11.526 1.00 0.00 H new ATOM 0 HA MET A 360 -3.395 12.111 9.775 1.00 0.00 H new ATOM 0 HB2 MET A 360 -5.399 11.326 8.933 1.00 0.00 H new ATOM 0 HB3 MET A 360 -6.331 12.660 9.583 1.00 0.00 H new ATOM 0 HG2 MET A 360 -6.374 12.858 7.198 1.00 0.00 H new ATOM 0 HG3 MET A 360 -5.359 14.150 7.807 1.00 0.00 H new ATOM 0 HE1 MET A 360 -3.805 10.159 6.656 1.00 0.00 H new ATOM 0 HE2 MET A 360 -5.509 10.634 6.851 1.00 0.00 H new ATOM 0 HE3 MET A 360 -4.746 10.698 5.245 1.00 0.00 H new ATOM 549 N VAL A 361 -2.546 14.273 9.025 1.00 0.00 N ATOM 550 CA VAL A 361 -2.019 15.532 8.603 1.00 0.00 C ATOM 551 C VAL A 361 -1.757 15.505 7.105 1.00 0.00 C ATOM 552 O VAL A 361 -1.481 14.442 6.524 1.00 0.00 O ATOM 553 CB VAL A 361 -0.735 15.939 9.387 1.00 0.00 C ATOM 554 CG1 VAL A 361 -0.757 15.398 10.809 1.00 0.00 C ATOM 555 CG2 VAL A 361 0.536 15.538 8.669 1.00 0.00 C ATOM 0 H VAL A 361 -1.941 13.472 8.844 1.00 0.00 H new ATOM 0 HA VAL A 361 -2.767 16.293 8.825 1.00 0.00 H new ATOM 0 HB VAL A 361 -0.737 17.028 9.440 1.00 0.00 H new ATOM 0 HG11 VAL A 361 0.153 15.700 11.327 1.00 0.00 H new ATOM 0 HG12 VAL A 361 -1.624 15.796 11.336 1.00 0.00 H new ATOM 0 HG13 VAL A 361 -0.816 14.310 10.783 1.00 0.00 H new ATOM 0 HG21 VAL A 361 1.400 15.845 9.259 1.00 0.00 H new ATOM 0 HG22 VAL A 361 0.553 14.456 8.537 1.00 0.00 H new ATOM 0 HG23 VAL A 361 0.571 16.023 7.694 1.00 0.00 H new ATOM 565 N CYS A 362 -1.878 16.659 6.488 1.00 0.00 N ATOM 566 CA CYS A 362 -1.685 16.819 5.063 1.00 0.00 C ATOM 567 C CYS A 362 -0.312 16.320 4.621 1.00 0.00 C ATOM 568 O CYS A 362 0.660 16.358 5.382 1.00 0.00 O ATOM 569 CB CYS A 362 -1.845 18.282 4.705 1.00 0.00 C ATOM 570 SG CYS A 362 -1.728 18.645 2.937 1.00 0.00 S ATOM 0 H CYS A 362 -2.117 17.526 6.969 1.00 0.00 H new ATOM 0 HA CYS A 362 -2.433 16.221 4.543 1.00 0.00 H new ATOM 0 HB2 CYS A 362 -2.812 18.627 5.070 1.00 0.00 H new ATOM 0 HB3 CYS A 362 -1.082 18.856 5.231 1.00 0.00 H new ATOM 575 N ARG A 363 -0.236 15.868 3.384 1.00 0.00 N ATOM 576 CA ARG A 363 1.009 15.350 2.847 1.00 0.00 C ATOM 577 C ARG A 363 1.731 16.444 2.104 1.00 0.00 C ATOM 578 O ARG A 363 2.952 16.407 1.950 1.00 0.00 O ATOM 579 CB ARG A 363 0.770 14.179 1.892 1.00 0.00 C ATOM 580 CG ARG A 363 -0.471 13.349 2.192 1.00 0.00 C ATOM 581 CD ARG A 363 -0.528 12.872 3.648 1.00 0.00 C ATOM 582 NE ARG A 363 0.583 11.999 4.007 1.00 0.00 N ATOM 583 CZ ARG A 363 0.902 11.671 5.263 1.00 0.00 C ATOM 584 NH1 ARG A 363 0.221 12.190 6.288 1.00 0.00 N1+ ATOM 585 NH2 ARG A 363 1.909 10.838 5.494 1.00 0.00 N ATOM 0 H ARG A 363 -1.020 15.849 2.732 1.00 0.00 H new ATOM 0 HA ARG A 363 1.609 14.994 3.685 1.00 0.00 H new ATOM 0 HB2 ARG A 363 0.693 14.567 0.877 1.00 0.00 H new ATOM 0 HB3 ARG A 363 1.642 13.525 1.917 1.00 0.00 H new ATOM 0 HG2 ARG A 363 -1.360 13.940 1.973 1.00 0.00 H new ATOM 0 HG3 ARG A 363 -0.493 12.484 1.530 1.00 0.00 H new ATOM 0 HD2 ARG A 363 -0.529 13.739 4.308 1.00 0.00 H new ATOM 0 HD3 ARG A 363 -1.466 12.343 3.814 1.00 0.00 H new ATOM 0 HE ARG A 363 1.152 11.615 3.253 1.00 0.00 H new ATOM 0 HH11 ARG A 363 -0.546 12.839 6.114 1.00 0.00 H new ATOM 0 HH12 ARG A 363 0.468 11.937 7.245 1.00 0.00 H new ATOM 0 HH21 ARG A 363 2.438 10.449 4.714 1.00 0.00 H new ATOM 0 HH22 ARG A 363 2.154 10.587 6.452 1.00 0.00 H new ATOM 599 N ASN A 364 0.963 17.417 1.633 1.00 0.00 N ATOM 600 CA ASN A 364 1.517 18.538 0.901 1.00 0.00 C ATOM 601 C ASN A 364 2.538 19.264 1.753 1.00 0.00 C ATOM 602 O ASN A 364 2.229 19.762 2.828 1.00 0.00 O ATOM 603 CB ASN A 364 0.399 19.485 0.437 1.00 0.00 C ATOM 604 CG ASN A 364 0.913 20.706 -0.301 1.00 0.00 C ATOM 605 OD1 ASN A 364 2.047 20.733 -0.784 1.00 0.00 O ATOM 606 ND2 ASN A 364 0.070 21.712 -0.422 1.00 0.00 N ATOM 0 H ASN A 364 -0.050 17.449 1.748 1.00 0.00 H new ATOM 0 HA ASN A 364 2.024 18.164 0.011 1.00 0.00 H new ATOM 0 HB2 ASN A 364 -0.284 18.938 -0.212 1.00 0.00 H new ATOM 0 HB3 ASN A 364 -0.176 19.809 1.304 1.00 0.00 H new ATOM 0 HD21 ASN A 364 0.348 22.552 -0.930 1.00 0.00 H new ATOM 0 HD22 ASN A 364 -0.860 21.651 -0.008 1.00 0.00 H new ATOM 613 N GLN A 365 3.758 19.302 1.259 1.00 0.00 N ATOM 614 CA GLN A 365 4.883 19.916 1.963 1.00 0.00 C ATOM 615 C GLN A 365 4.713 21.423 2.118 1.00 0.00 C ATOM 616 O GLN A 365 5.448 22.068 2.859 1.00 0.00 O ATOM 617 CB GLN A 365 6.205 19.604 1.252 1.00 0.00 C ATOM 618 CG GLN A 365 6.123 19.657 -0.268 1.00 0.00 C ATOM 619 CD GLN A 365 5.871 18.292 -0.904 1.00 0.00 C ATOM 620 OE1 GLN A 365 5.244 17.391 -0.166 1.00 0.00 O flip ATOM 621 NE2 GLN A 365 6.262 18.045 -2.042 1.00 0.00 N flip ATOM 0 H GLN A 365 4.007 18.907 0.352 1.00 0.00 H new ATOM 0 HA GLN A 365 4.905 19.483 2.963 1.00 0.00 H new ATOM 0 HB2 GLN A 365 6.962 20.312 1.589 1.00 0.00 H new ATOM 0 HB3 GLN A 365 6.541 18.612 1.552 1.00 0.00 H new ATOM 0 HG2 GLN A 365 5.324 20.339 -0.559 1.00 0.00 H new ATOM 0 HG3 GLN A 365 7.053 20.068 -0.662 1.00 0.00 H new ATOM 0 HE21 GLN A 365 6.742 18.764 -2.583 1.00 0.00 H new ATOM 0 HE22 GLN A 365 6.106 17.121 -2.445 1.00 0.00 H new ATOM 630 N ASN A 366 3.761 21.975 1.413 1.00 0.00 N ATOM 631 CA ASN A 366 3.462 23.399 1.501 1.00 0.00 C ATOM 632 C ASN A 366 2.290 23.620 2.435 1.00 0.00 C ATOM 633 O ASN A 366 1.842 24.748 2.636 1.00 0.00 O ATOM 634 CB ASN A 366 3.108 23.937 0.127 1.00 0.00 C ATOM 635 CG ASN A 366 4.203 23.726 -0.881 1.00 0.00 C ATOM 636 OD1 ASN A 366 5.381 23.970 -0.613 1.00 0.00 O ATOM 637 ND2 ASN A 366 3.831 23.221 -2.021 1.00 0.00 N ATOM 0 H ASN A 366 3.167 21.462 0.761 1.00 0.00 H new ATOM 0 HA ASN A 366 4.340 23.920 1.883 1.00 0.00 H new ATOM 0 HB2 ASN A 366 2.198 23.451 -0.225 1.00 0.00 H new ATOM 0 HB3 ASN A 366 2.891 25.003 0.204 1.00 0.00 H new ATOM 0 HD21 ASN A 366 4.526 23.011 -2.737 1.00 0.00 H new ATOM 0 HD22 ASN A 366 2.844 23.035 -2.199 1.00 0.00 H new ATOM 644 N CYS A 367 1.801 22.536 3.002 1.00 0.00 N ATOM 645 CA CYS A 367 0.631 22.581 3.861 1.00 0.00 C ATOM 646 C CYS A 367 0.888 21.868 5.183 1.00 0.00 C ATOM 647 O CYS A 367 1.179 22.509 6.191 1.00 0.00 O ATOM 648 CB CYS A 367 -0.565 21.953 3.140 1.00 0.00 C ATOM 649 SG CYS A 367 -2.164 22.121 4.006 1.00 0.00 S ATOM 0 H CYS A 367 2.199 21.604 2.883 1.00 0.00 H new ATOM 0 HA CYS A 367 0.409 23.624 4.085 1.00 0.00 H new ATOM 0 HB2 CYS A 367 -0.654 22.407 2.153 1.00 0.00 H new ATOM 0 HB3 CYS A 367 -0.362 20.893 2.986 1.00 0.00 H new ATOM 654 N LYS A 368 0.803 20.531 5.162 1.00 0.00 N ATOM 655 CA LYS A 368 0.999 19.700 6.364 1.00 0.00 C ATOM 656 C LYS A 368 -0.035 20.034 7.448 1.00 0.00 C ATOM 657 O LYS A 368 0.218 19.854 8.644 1.00 0.00 O ATOM 658 CB LYS A 368 2.413 19.890 6.904 1.00 0.00 C ATOM 659 CG LYS A 368 3.491 19.556 5.893 1.00 0.00 C ATOM 660 CD LYS A 368 4.739 20.405 6.089 1.00 0.00 C ATOM 661 CE LYS A 368 4.492 21.878 5.745 1.00 0.00 C ATOM 662 NZ LYS A 368 3.956 22.667 6.891 1.00 0.00 N1+ ATOM 0 H LYS A 368 0.598 19.995 4.319 1.00 0.00 H new ATOM 0 HA LYS A 368 0.860 18.656 6.082 1.00 0.00 H new ATOM 0 HB2 LYS A 368 2.535 20.924 7.227 1.00 0.00 H new ATOM 0 HB3 LYS A 368 2.545 19.263 7.786 1.00 0.00 H new ATOM 0 HG2 LYS A 368 3.753 18.501 5.977 1.00 0.00 H new ATOM 0 HG3 LYS A 368 3.103 19.708 4.886 1.00 0.00 H new ATOM 0 HD2 LYS A 368 5.073 20.325 7.124 1.00 0.00 H new ATOM 0 HD3 LYS A 368 5.543 20.017 5.464 1.00 0.00 H new ATOM 0 HE2 LYS A 368 5.426 22.327 5.408 1.00 0.00 H new ATOM 0 HE3 LYS A 368 3.791 21.937 4.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 368 4.378 23.618 6.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 368 2.923 22.746 6.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 368 4.193 22.188 7.783 1.00 0.00 H new ATOM 676 N ALA A 369 -1.197 20.514 7.015 1.00 0.00 N ATOM 677 CA ALA A 369 -2.281 20.853 7.926 1.00 0.00 C ATOM 678 C ALA A 369 -2.767 19.613 8.664 1.00 0.00 C ATOM 679 O ALA A 369 -2.982 18.572 8.062 1.00 0.00 O ATOM 680 CB ALA A 369 -3.430 21.497 7.161 1.00 0.00 C ATOM 0 H ALA A 369 -1.411 20.677 6.031 1.00 0.00 H new ATOM 0 HA ALA A 369 -1.905 21.566 8.660 1.00 0.00 H new ATOM 0 HB1 ALA A 369 -4.234 21.746 7.854 1.00 0.00 H new ATOM 0 HB2 ALA A 369 -3.078 22.406 6.673 1.00 0.00 H new ATOM 0 HB3 ALA A 369 -3.801 20.801 6.409 1.00 0.00 H new ATOM 686 N GLU A 370 -2.925 19.729 9.961 1.00 0.00 N ATOM 687 CA GLU A 370 -3.369 18.610 10.774 1.00 0.00 C ATOM 688 C GLU A 370 -4.872 18.695 11.000 1.00 0.00 C ATOM 689 O GLU A 370 -5.372 19.684 11.551 1.00 0.00 O ATOM 690 CB GLU A 370 -2.630 18.612 12.104 1.00 0.00 C ATOM 691 CG GLU A 370 -1.123 18.711 11.962 1.00 0.00 C ATOM 692 CD GLU A 370 -0.441 19.019 13.268 1.00 0.00 C ATOM 693 OE1 GLU A 370 -0.308 18.101 14.105 1.00 0.00 O1- ATOM 694 OE2 GLU A 370 -0.039 20.188 13.469 1.00 0.00 O ATOM 0 H GLU A 370 -2.753 20.589 10.482 1.00 0.00 H new ATOM 0 HA GLU A 370 -3.148 17.678 10.253 1.00 0.00 H new ATOM 0 HB2 GLU A 370 -2.985 19.448 12.706 1.00 0.00 H new ATOM 0 HB3 GLU A 370 -2.876 17.700 12.648 1.00 0.00 H new ATOM 0 HG2 GLU A 370 -0.736 17.772 11.566 1.00 0.00 H new ATOM 0 HG3 GLU A 370 -0.880 19.487 11.237 1.00 0.00 H new ATOM 701 N PHE A 371 -5.589 17.671 10.581 1.00 0.00 N ATOM 702 CA PHE A 371 -7.038 17.663 10.687 1.00 0.00 C ATOM 703 C PHE A 371 -7.571 16.281 11.032 1.00 0.00 C ATOM 704 O PHE A 371 -6.826 15.301 11.082 1.00 0.00 O ATOM 705 CB PHE A 371 -7.680 18.164 9.377 1.00 0.00 C ATOM 706 CG PHE A 371 -7.127 17.524 8.129 1.00 0.00 C ATOM 707 CD1 PHE A 371 -7.663 16.347 7.640 1.00 0.00 C ATOM 708 CD2 PHE A 371 -6.073 18.110 7.446 1.00 0.00 C ATOM 709 CE1 PHE A 371 -7.156 15.764 6.497 1.00 0.00 C ATOM 710 CE2 PHE A 371 -5.564 17.533 6.303 1.00 0.00 C ATOM 711 CZ PHE A 371 -6.104 16.358 5.828 1.00 0.00 C ATOM 0 H PHE A 371 -5.192 16.830 10.162 1.00 0.00 H new ATOM 0 HA PHE A 371 -7.307 18.338 11.499 1.00 0.00 H new ATOM 0 HB2 PHE A 371 -8.754 17.981 9.420 1.00 0.00 H new ATOM 0 HB3 PHE A 371 -7.543 19.243 9.309 1.00 0.00 H new ATOM 0 HD1 PHE A 371 -8.487 15.879 8.158 1.00 0.00 H new ATOM 0 HD2 PHE A 371 -5.645 19.031 7.814 1.00 0.00 H new ATOM 0 HE1 PHE A 371 -7.582 14.844 6.126 1.00 0.00 H new ATOM 0 HE2 PHE A 371 -4.743 18.001 5.780 1.00 0.00 H new ATOM 0 HZ PHE A 371 -5.705 15.902 4.934 1.00 0.00 H new ATOM 721 N CYS A 372 -8.861 16.215 11.278 1.00 0.00 N ATOM 722 CA CYS A 372 -9.519 14.967 11.556 1.00 0.00 C ATOM 723 C CYS A 372 -9.923 14.333 10.251 1.00 0.00 C ATOM 724 O CYS A 372 -10.786 14.843 9.566 1.00 0.00 O ATOM 725 CB CYS A 372 -10.754 15.198 12.427 1.00 0.00 C ATOM 726 SG CYS A 372 -11.627 13.669 12.924 1.00 0.00 S ATOM 0 H CYS A 372 -9.479 17.027 11.290 1.00 0.00 H new ATOM 0 HA CYS A 372 -8.838 14.309 12.096 1.00 0.00 H new ATOM 0 HB2 CYS A 372 -10.454 15.739 13.325 1.00 0.00 H new ATOM 0 HB3 CYS A 372 -11.450 15.839 11.886 1.00 0.00 H new ATOM 731 N TRP A 373 -9.289 13.242 9.904 1.00 0.00 N ATOM 732 CA TRP A 373 -9.587 12.543 8.658 1.00 0.00 C ATOM 733 C TRP A 373 -11.066 12.170 8.554 1.00 0.00 C ATOM 734 O TRP A 373 -11.662 12.261 7.479 1.00 0.00 O ATOM 735 CB TRP A 373 -8.719 11.280 8.547 1.00 0.00 C ATOM 736 CG TRP A 373 -9.281 10.224 7.633 1.00 0.00 C ATOM 737 CD1 TRP A 373 -10.221 9.294 7.957 1.00 0.00 C ATOM 738 CD2 TRP A 373 -8.941 9.989 6.264 1.00 0.00 C ATOM 739 NE1 TRP A 373 -10.484 8.493 6.881 1.00 0.00 N ATOM 740 CE2 TRP A 373 -9.711 8.894 5.828 1.00 0.00 C ATOM 741 CE3 TRP A 373 -8.064 10.589 5.369 1.00 0.00 C ATOM 742 CZ2 TRP A 373 -9.629 8.392 4.537 1.00 0.00 C ATOM 743 CZ3 TRP A 373 -7.983 10.089 4.084 1.00 0.00 C ATOM 744 CH2 TRP A 373 -8.759 9.003 3.680 1.00 0.00 C ATOM 0 H TRP A 373 -8.556 12.808 10.465 1.00 0.00 H new ATOM 0 HA TRP A 373 -9.358 13.220 7.835 1.00 0.00 H new ATOM 0 HB2 TRP A 373 -7.729 11.563 8.191 1.00 0.00 H new ATOM 0 HB3 TRP A 373 -8.590 10.853 9.541 1.00 0.00 H new ATOM 0 HD1 TRP A 373 -10.691 9.202 8.925 1.00 0.00 H new ATOM 0 HE1 TRP A 373 -11.150 7.721 6.866 1.00 0.00 H new ATOM 0 HE3 TRP A 373 -7.458 11.430 5.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 373 -10.230 7.551 4.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 373 -7.306 10.548 3.379 1.00 0.00 H new ATOM 0 HH2 TRP A 373 -8.670 8.637 2.668 1.00 0.00 H new ATOM 755 N VAL A 374 -11.638 11.761 9.674 1.00 0.00 N ATOM 756 CA VAL A 374 -13.010 11.264 9.723 1.00 0.00 C ATOM 757 C VAL A 374 -14.000 12.259 9.130 1.00 0.00 C ATOM 758 O VAL A 374 -14.620 11.998 8.097 1.00 0.00 O ATOM 759 CB VAL A 374 -13.430 10.941 11.170 1.00 0.00 C ATOM 760 CG1 VAL A 374 -14.768 10.212 11.196 1.00 0.00 C ATOM 761 CG2 VAL A 374 -12.351 10.126 11.866 1.00 0.00 C ATOM 0 H VAL A 374 -11.166 11.763 10.578 1.00 0.00 H new ATOM 0 HA VAL A 374 -13.030 10.354 9.123 1.00 0.00 H new ATOM 0 HB VAL A 374 -13.551 11.879 11.711 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -15.044 9.994 12.228 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -15.533 10.840 10.740 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -14.685 9.279 10.638 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -12.663 9.906 12.887 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -12.195 9.193 11.325 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -11.421 10.694 11.885 1.00 0.00 H new ATOM 771 N CYS A 375 -14.124 13.401 9.769 1.00 0.00 N ATOM 772 CA CYS A 375 -15.065 14.411 9.337 1.00 0.00 C ATOM 773 C CYS A 375 -14.384 15.478 8.483 1.00 0.00 C ATOM 774 O CYS A 375 -15.037 16.411 7.998 1.00 0.00 O ATOM 775 CB CYS A 375 -15.733 15.040 10.558 1.00 0.00 C ATOM 776 SG CYS A 375 -14.562 15.649 11.822 1.00 0.00 S ATOM 0 H CYS A 375 -13.581 13.655 10.595 1.00 0.00 H new ATOM 0 HA CYS A 375 -15.825 13.936 8.716 1.00 0.00 H new ATOM 0 HB2 CYS A 375 -16.359 15.870 10.229 1.00 0.00 H new ATOM 0 HB3 CYS A 375 -16.394 14.304 11.016 1.00 0.00 H new ATOM 781 N LEU A 376 -13.072 15.324 8.296 1.00 0.00 N ATOM 782 CA LEU A 376 -12.259 16.292 7.546 1.00 0.00 C ATOM 783 C LEU A 376 -12.348 17.683 8.168 1.00 0.00 C ATOM 784 O LEU A 376 -12.270 18.699 7.473 1.00 0.00 O ATOM 785 CB LEU A 376 -12.648 16.321 6.056 1.00 0.00 C ATOM 786 CG LEU A 376 -12.200 15.118 5.222 1.00 0.00 C ATOM 787 CD1 LEU A 376 -12.636 15.283 3.774 1.00 0.00 C ATOM 788 CD2 LEU A 376 -10.689 14.937 5.304 1.00 0.00 C ATOM 0 H LEU A 376 -12.542 14.530 8.657 1.00 0.00 H new ATOM 0 HA LEU A 376 -11.221 15.966 7.606 1.00 0.00 H new ATOM 0 HB2 LEU A 376 -13.733 16.403 5.986 1.00 0.00 H new ATOM 0 HB3 LEU A 376 -12.230 17.223 5.609 1.00 0.00 H new ATOM 0 HG LEU A 376 -12.675 14.225 5.629 1.00 0.00 H new ATOM 0 HD11 LEU A 376 -12.309 14.419 3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 376 -13.722 15.361 3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 376 -12.189 16.187 3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 376 -10.393 14.077 4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 376 -10.194 15.831 4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 376 -10.398 14.773 6.342 1.00 0.00 H new ATOM 800 N GLY A 377 -12.498 17.718 9.483 1.00 0.00 N ATOM 801 CA GLY A 377 -12.565 18.974 10.192 1.00 0.00 C ATOM 802 C GLY A 377 -11.288 19.250 10.954 1.00 0.00 C ATOM 803 O GLY A 377 -10.333 18.490 10.847 1.00 0.00 O ATOM 0 H GLY A 377 -12.575 16.890 10.074 1.00 0.00 H new ATOM 0 HA2 GLY A 377 -12.750 19.783 9.485 1.00 0.00 H new ATOM 0 HA3 GLY A 377 -13.407 18.958 10.884 1.00 0.00 H new ATOM 807 N PRO A 378 -11.249 20.325 11.743 1.00 0.00 N ATOM 808 CA PRO A 378 -10.056 20.698 12.511 1.00 0.00 C ATOM 809 C PRO A 378 -9.726 19.667 13.589 1.00 0.00 C ATOM 810 O PRO A 378 -10.612 19.194 14.301 1.00 0.00 O ATOM 811 CB PRO A 378 -10.449 22.035 13.155 1.00 0.00 C ATOM 812 CG PRO A 378 -11.940 22.027 13.168 1.00 0.00 C ATOM 813 CD PRO A 378 -12.363 21.255 11.956 1.00 0.00 C ATOM 0 HA PRO A 378 -9.167 20.759 11.884 1.00 0.00 H new ATOM 0 HB2 PRO A 378 -10.045 22.122 14.164 1.00 0.00 H new ATOM 0 HB3 PRO A 378 -10.063 22.879 12.583 1.00 0.00 H new ATOM 0 HG2 PRO A 378 -12.319 21.562 14.078 1.00 0.00 H new ATOM 0 HG3 PRO A 378 -12.335 23.042 13.141 1.00 0.00 H new ATOM 0 HD2 PRO A 378 -13.302 20.727 12.123 1.00 0.00 H new ATOM 0 HD3 PRO A 378 -12.513 21.907 11.096 1.00 0.00 H new ATOM 821 N TRP A 379 -8.456 19.320 13.711 1.00 0.00 N ATOM 822 CA TRP A 379 -8.030 18.346 14.709 1.00 0.00 C ATOM 823 C TRP A 379 -8.032 18.947 16.119 1.00 0.00 C ATOM 824 O TRP A 379 -8.135 18.223 17.101 1.00 0.00 O ATOM 825 CB TRP A 379 -6.641 17.790 14.377 1.00 0.00 C ATOM 826 CG TRP A 379 -6.164 16.789 15.385 1.00 0.00 C ATOM 827 CD1 TRP A 379 -5.232 16.989 16.362 1.00 0.00 C ATOM 828 CD2 TRP A 379 -6.623 15.443 15.536 1.00 0.00 C ATOM 829 NE1 TRP A 379 -5.075 15.843 17.100 1.00 0.00 N ATOM 830 CE2 TRP A 379 -5.918 14.879 16.613 1.00 0.00 C ATOM 831 CE3 TRP A 379 -7.559 14.655 14.859 1.00 0.00 C ATOM 832 CZ2 TRP A 379 -6.119 13.568 17.032 1.00 0.00 C ATOM 833 CZ3 TRP A 379 -7.759 13.355 15.275 1.00 0.00 C ATOM 834 CH2 TRP A 379 -7.042 12.823 16.353 1.00 0.00 C ATOM 0 H TRP A 379 -7.702 19.695 13.135 1.00 0.00 H new ATOM 0 HA TRP A 379 -8.749 17.527 14.687 1.00 0.00 H new ATOM 0 HB2 TRP A 379 -6.666 17.324 13.392 1.00 0.00 H new ATOM 0 HB3 TRP A 379 -5.928 18.613 14.322 1.00 0.00 H new ATOM 0 HD1 TRP A 379 -4.697 17.912 16.529 1.00 0.00 H new ATOM 0 HE1 TRP A 379 -4.434 15.727 17.885 1.00 0.00 H new ATOM 0 HE3 TRP A 379 -8.115 15.057 14.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 379 -5.566 13.154 17.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 379 -8.481 12.738 14.761 1.00 0.00 H new ATOM 0 HH2 TRP A 379 -7.222 11.802 16.655 1.00 0.00 H new ATOM 845 N GLU A 380 -7.933 20.271 16.200 1.00 0.00 N ATOM 846 CA GLU A 380 -7.881 20.977 17.493 1.00 0.00 C ATOM 847 C GLU A 380 -8.959 20.477 18.497 1.00 0.00 C ATOM 848 O GLU A 380 -8.617 20.042 19.599 1.00 0.00 O ATOM 849 CB GLU A 380 -7.991 22.493 17.284 1.00 0.00 C ATOM 850 CG GLU A 380 -6.868 23.083 16.455 1.00 0.00 C ATOM 851 CD GLU A 380 -7.116 24.527 16.093 1.00 0.00 C ATOM 852 OE1 GLU A 380 -6.877 25.409 16.943 1.00 0.00 O ATOM 853 OE2 GLU A 380 -7.545 24.789 14.953 1.00 0.00 O1- ATOM 0 H GLU A 380 -7.887 20.885 15.387 1.00 0.00 H new ATOM 0 HA GLU A 380 -6.913 20.750 17.939 1.00 0.00 H new ATOM 0 HB2 GLU A 380 -8.942 22.715 16.800 1.00 0.00 H new ATOM 0 HB3 GLU A 380 -8.007 22.984 18.257 1.00 0.00 H new ATOM 0 HG2 GLU A 380 -5.932 23.006 17.009 1.00 0.00 H new ATOM 0 HG3 GLU A 380 -6.748 22.498 15.543 1.00 0.00 H new ATOM 860 N PRO A 381 -10.272 20.514 18.132 1.00 0.00 N ATOM 861 CA PRO A 381 -11.352 20.045 19.024 1.00 0.00 C ATOM 862 C PRO A 381 -11.293 18.529 19.285 1.00 0.00 C ATOM 863 O PRO A 381 -11.807 18.042 20.296 1.00 0.00 O ATOM 864 CB PRO A 381 -12.632 20.400 18.248 1.00 0.00 C ATOM 865 CG PRO A 381 -12.204 20.480 16.829 1.00 0.00 C ATOM 866 CD PRO A 381 -10.812 21.021 16.852 1.00 0.00 C ATOM 0 HA PRO A 381 -11.286 20.504 20.011 1.00 0.00 H new ATOM 0 HB2 PRO A 381 -13.402 19.641 18.387 1.00 0.00 H new ATOM 0 HB3 PRO A 381 -13.052 21.346 18.589 1.00 0.00 H new ATOM 0 HG2 PRO A 381 -12.234 19.498 16.356 1.00 0.00 H new ATOM 0 HG3 PRO A 381 -12.866 21.130 16.257 1.00 0.00 H new ATOM 0 HD2 PRO A 381 -10.229 20.668 16.001 1.00 0.00 H new ATOM 0 HD3 PRO A 381 -10.803 22.110 16.815 1.00 0.00 H new ATOM 874 N HIS A 382 -10.652 17.804 18.378 1.00 0.00 N ATOM 875 CA HIS A 382 -10.560 16.345 18.467 1.00 0.00 C ATOM 876 C HIS A 382 -9.405 15.901 19.359 1.00 0.00 C ATOM 877 O HIS A 382 -9.469 14.839 19.986 1.00 0.00 O ATOM 878 CB HIS A 382 -10.379 15.737 17.075 1.00 0.00 C ATOM 879 CG HIS A 382 -11.565 15.883 16.175 1.00 0.00 C ATOM 880 ND1 HIS A 382 -11.777 16.960 15.342 1.00 0.00 N ATOM 881 CD2 HIS A 382 -12.606 15.045 15.972 1.00 0.00 C ATOM 882 CE1 HIS A 382 -12.911 16.752 14.673 1.00 0.00 C ATOM 883 NE2 HIS A 382 -13.461 15.596 15.015 1.00 0.00 N ATOM 0 H HIS A 382 -10.183 18.202 17.564 1.00 0.00 H new ATOM 0 HA HIS A 382 -11.492 15.992 18.909 1.00 0.00 H new ATOM 0 HB2 HIS A 382 -9.517 16.204 16.598 1.00 0.00 H new ATOM 0 HB3 HIS A 382 -10.149 14.677 17.183 1.00 0.00 H new ATOM 0 HD1 HIS A 382 -11.171 17.776 15.253 1.00 0.00 H new ATOM 0 HD2 HIS A 382 -12.753 14.099 16.471 1.00 0.00 H new ATOM 0 HE1 HIS A 382 -13.327 17.436 13.948 1.00 0.00 H new ATOM 891 N GLY A 383 -8.353 16.703 19.405 1.00 0.00 N ATOM 892 CA GLY A 383 -7.174 16.359 20.184 1.00 0.00 C ATOM 893 C GLY A 383 -7.361 16.555 21.676 1.00 0.00 C ATOM 894 O GLY A 383 -6.708 17.410 22.276 1.00 0.00 O ATOM 0 H GLY A 383 -8.291 17.595 18.913 1.00 0.00 H new ATOM 0 HA2 GLY A 383 -6.911 15.319 19.992 1.00 0.00 H new ATOM 0 HA3 GLY A 383 -6.335 16.967 19.847 1.00 0.00 H new ATOM 898 N SER A 384 -8.250 15.752 22.265 1.00 0.00 N ATOM 899 CA SER A 384 -8.537 15.790 23.700 1.00 0.00 C ATOM 900 C SER A 384 -8.950 17.186 24.153 1.00 0.00 C ATOM 901 O SER A 384 -8.133 17.972 24.641 1.00 0.00 O ATOM 902 CB SER A 384 -7.336 15.287 24.509 1.00 0.00 C ATOM 903 OG SER A 384 -6.987 13.959 24.127 1.00 0.00 O ATOM 0 H SER A 384 -8.793 15.054 21.757 1.00 0.00 H new ATOM 0 HA SER A 384 -9.379 15.123 23.885 1.00 0.00 H new ATOM 0 HB2 SER A 384 -6.485 15.950 24.354 1.00 0.00 H new ATOM 0 HB3 SER A 384 -7.572 15.314 25.573 1.00 0.00 H new ATOM 0 HG SER A 384 -6.217 13.658 24.654 1.00 0.00 H new ATOM 909 N ALA A 385 -10.214 17.498 23.976 1.00 0.00 N ATOM 910 CA ALA A 385 -10.726 18.793 24.352 1.00 0.00 C ATOM 911 C ALA A 385 -12.138 18.677 24.880 1.00 0.00 C ATOM 912 O ALA A 385 -12.389 18.908 26.064 1.00 0.00 O ATOM 913 CB ALA A 385 -10.671 19.750 23.167 1.00 0.00 C ATOM 0 H ALA A 385 -10.908 16.869 23.572 1.00 0.00 H new ATOM 0 HA ALA A 385 -10.099 19.194 25.148 1.00 0.00 H new ATOM 0 HB1 ALA A 385 -11.061 20.723 23.467 1.00 0.00 H new ATOM 0 HB2 ALA A 385 -9.639 19.859 22.835 1.00 0.00 H new ATOM 0 HB3 ALA A 385 -11.274 19.353 22.351 1.00 0.00 H new ATOM 919 N TRP A 386 -13.051 18.287 24.006 1.00 0.00 N ATOM 920 CA TRP A 386 -14.464 18.176 24.359 1.00 0.00 C ATOM 921 C TRP A 386 -15.260 17.612 23.188 1.00 0.00 C ATOM 922 O TRP A 386 -16.312 17.001 23.368 1.00 0.00 O ATOM 923 CB TRP A 386 -15.033 19.561 24.728 1.00 0.00 C ATOM 924 CG TRP A 386 -15.160 20.491 23.551 1.00 0.00 C ATOM 925 CD1 TRP A 386 -14.157 21.171 22.927 1.00 0.00 C ATOM 926 CD2 TRP A 386 -16.366 20.833 22.856 1.00 0.00 C ATOM 927 NE1 TRP A 386 -14.661 21.908 21.885 1.00 0.00 N ATOM 928 CE2 TRP A 386 -16.016 21.719 21.823 1.00 0.00 C ATOM 929 CE3 TRP A 386 -17.709 20.473 23.008 1.00 0.00 C ATOM 930 CZ2 TRP A 386 -16.953 22.251 20.947 1.00 0.00 C ATOM 931 CZ3 TRP A 386 -18.640 21.001 22.137 1.00 0.00 C ATOM 932 CH2 TRP A 386 -18.257 21.881 21.118 1.00 0.00 C ATOM 0 H TRP A 386 -12.841 18.039 23.039 1.00 0.00 H new ATOM 0 HA TRP A 386 -14.548 17.506 25.214 1.00 0.00 H new ATOM 0 HB2 TRP A 386 -16.013 19.432 25.186 1.00 0.00 H new ATOM 0 HB3 TRP A 386 -14.389 20.022 25.477 1.00 0.00 H new ATOM 0 HD1 TRP A 386 -13.116 21.135 23.212 1.00 0.00 H new ATOM 0 HE1 TRP A 386 -14.115 22.500 21.259 1.00 0.00 H new ATOM 0 HE3 TRP A 386 -18.012 19.795 23.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 386 -16.662 22.931 20.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 386 -19.680 20.731 22.243 1.00 0.00 H new ATOM 0 HH2 TRP A 386 -19.009 22.276 20.452 1.00 0.00 H new ATOM 943 N TYR A 387 -14.747 17.829 21.994 1.00 0.00 N ATOM 944 CA TYR A 387 -15.433 17.449 20.780 1.00 0.00 C ATOM 945 C TYR A 387 -15.213 15.977 20.455 1.00 0.00 C ATOM 946 O TYR A 387 -14.083 15.485 20.474 1.00 0.00 O ATOM 947 CB TYR A 387 -14.943 18.328 19.644 1.00 0.00 C ATOM 948 CG TYR A 387 -15.758 18.242 18.384 1.00 0.00 C ATOM 949 CD1 TYR A 387 -16.981 18.885 18.283 1.00 0.00 C ATOM 950 CD2 TYR A 387 -15.297 17.533 17.288 1.00 0.00 C ATOM 951 CE1 TYR A 387 -17.721 18.822 17.124 1.00 0.00 C ATOM 952 CE2 TYR A 387 -16.030 17.463 16.128 1.00 0.00 C ATOM 953 CZ TYR A 387 -17.245 18.111 16.048 1.00 0.00 C ATOM 954 OH TYR A 387 -17.982 18.050 14.886 1.00 0.00 O ATOM 0 H TYR A 387 -13.842 18.274 21.840 1.00 0.00 H new ATOM 0 HA TYR A 387 -16.505 17.590 20.919 1.00 0.00 H new ATOM 0 HB2 TYR A 387 -14.933 19.364 19.983 1.00 0.00 H new ATOM 0 HB3 TYR A 387 -13.913 18.058 19.413 1.00 0.00 H new ATOM 0 HD1 TYR A 387 -17.359 19.444 19.126 1.00 0.00 H new ATOM 0 HD2 TYR A 387 -14.345 17.026 17.346 1.00 0.00 H new ATOM 0 HE1 TYR A 387 -18.672 19.329 17.060 1.00 0.00 H new ATOM 0 HE2 TYR A 387 -15.657 16.903 15.283 1.00 0.00 H new ATOM 0 HH TYR A 387 -17.504 17.509 14.223 1.00 0.00 H new ATOM 964 N ASN A 388 -16.294 15.288 20.149 1.00 0.00 N ATOM 965 CA ASN A 388 -16.248 13.872 19.826 1.00 0.00 C ATOM 966 C ASN A 388 -16.449 13.681 18.326 1.00 0.00 C ATOM 967 O ASN A 388 -16.898 14.601 17.637 1.00 0.00 O ATOM 968 CB ASN A 388 -17.347 13.135 20.588 1.00 0.00 C ATOM 969 CG ASN A 388 -17.234 11.628 20.492 1.00 0.00 C ATOM 970 OD1 ASN A 388 -16.140 11.063 20.550 1.00 0.00 O ATOM 971 ND2 ASN A 388 -18.355 10.977 20.300 1.00 0.00 N ATOM 0 H ASN A 388 -17.230 15.692 20.117 1.00 0.00 H new ATOM 0 HA ASN A 388 -15.277 13.469 20.114 1.00 0.00 H new ATOM 0 HB2 ASN A 388 -17.312 13.429 21.637 1.00 0.00 H new ATOM 0 HB3 ASN A 388 -18.318 13.445 20.202 1.00 0.00 H new ATOM 0 HD21 ASN A 388 -18.344 9.963 20.192 1.00 0.00 H new ATOM 0 HD22 ASN A 388 -19.239 11.484 20.259 1.00 0.00 H new ATOM 978 N CYS A 389 -16.126 12.499 17.824 1.00 0.00 N ATOM 979 CA CYS A 389 -16.279 12.213 16.411 1.00 0.00 C ATOM 980 C CYS A 389 -16.688 10.757 16.216 1.00 0.00 C ATOM 981 O CYS A 389 -16.200 9.868 16.923 1.00 0.00 O ATOM 982 CB CYS A 389 -14.973 12.501 15.687 1.00 0.00 C ATOM 983 SG CYS A 389 -15.119 12.672 13.885 1.00 0.00 S ATOM 0 H CYS A 389 -15.757 11.725 18.376 1.00 0.00 H new ATOM 0 HA CYS A 389 -17.060 12.850 15.995 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -14.545 13.419 16.091 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -14.269 11.698 15.905 1.00 0.00 H new ATOM 988 N ASN A 390 -17.564 10.515 15.258 1.00 0.00 N ATOM 989 CA ASN A 390 -18.068 9.166 15.001 1.00 0.00 C ATOM 990 C ASN A 390 -17.040 8.345 14.236 1.00 0.00 C ATOM 991 O ASN A 390 -17.157 8.162 13.029 1.00 0.00 O ATOM 992 CB ASN A 390 -19.380 9.211 14.202 1.00 0.00 C ATOM 993 CG ASN A 390 -20.368 10.222 14.736 1.00 0.00 C ATOM 994 OD1 ASN A 390 -20.353 11.388 14.332 1.00 0.00 O ATOM 995 ND2 ASN A 390 -21.241 9.796 15.628 1.00 0.00 N ATOM 0 H ASN A 390 -17.945 11.232 14.641 1.00 0.00 H new ATOM 0 HA ASN A 390 -18.258 8.696 15.966 1.00 0.00 H new ATOM 0 HB2 ASN A 390 -19.156 9.446 13.161 1.00 0.00 H new ATOM 0 HB3 ASN A 390 -19.839 8.223 14.214 1.00 0.00 H new ATOM 0 HD21 ASN A 390 -21.936 10.438 16.009 1.00 0.00 H new ATOM 0 HD22 ASN A 390 -21.221 8.824 15.937 1.00 0.00 H new ATOM 1002 N ARG A 391 -16.018 7.894 14.931 1.00 0.00 N ATOM 1003 CA ARG A 391 -14.977 7.089 14.314 1.00 0.00 C ATOM 1004 C ARG A 391 -14.705 5.823 15.099 1.00 0.00 C ATOM 1005 O ARG A 391 -13.803 5.051 14.779 1.00 0.00 O ATOM 1006 CB ARG A 391 -13.716 7.917 14.153 1.00 0.00 C ATOM 1007 CG ARG A 391 -13.319 8.755 15.373 1.00 0.00 C ATOM 1008 CD ARG A 391 -12.748 7.909 16.494 1.00 0.00 C ATOM 1009 NE ARG A 391 -12.278 8.732 17.600 1.00 0.00 N ATOM 1010 CZ ARG A 391 -11.071 8.629 18.155 1.00 0.00 C ATOM 1011 NH1 ARG A 391 -10.205 7.722 17.717 1.00 0.00 N1+ ATOM 1012 NH2 ARG A 391 -10.736 9.435 19.154 1.00 0.00 N ATOM 0 H ARG A 391 -15.882 8.070 15.927 1.00 0.00 H new ATOM 0 HA ARG A 391 -15.324 6.779 13.328 1.00 0.00 H new ATOM 0 HB2 ARG A 391 -12.891 7.248 13.909 1.00 0.00 H new ATOM 0 HB3 ARG A 391 -13.847 8.585 13.302 1.00 0.00 H new ATOM 0 HG2 ARG A 391 -12.583 9.501 15.074 1.00 0.00 H new ATOM 0 HG3 ARG A 391 -14.192 9.296 15.738 1.00 0.00 H new ATOM 0 HD2 ARG A 391 -13.510 7.217 16.853 1.00 0.00 H new ATOM 0 HD3 ARG A 391 -11.924 7.306 16.112 1.00 0.00 H new ATOM 0 HE ARG A 391 -12.916 9.434 17.975 1.00 0.00 H new ATOM 0 HH11 ARG A 391 -10.462 7.099 16.951 1.00 0.00 H new ATOM 0 HH12 ARG A 391 -9.283 7.648 18.146 1.00 0.00 H new ATOM 0 HH21 ARG A 391 -11.401 10.130 19.494 1.00 0.00 H new ATOM 0 HH22 ARG A 391 -9.813 9.360 19.582 1.00 0.00 H new ATOM 1026 N TYR A 392 -15.478 5.635 16.125 1.00 0.00 N ATOM 1027 CA TYR A 392 -15.364 4.465 16.984 1.00 0.00 C ATOM 1028 C TYR A 392 -16.697 3.746 17.057 1.00 0.00 C ATOM 1029 O TYR A 392 -16.802 2.641 17.590 1.00 0.00 O ATOM 1030 CB TYR A 392 -14.946 4.897 18.389 1.00 0.00 C ATOM 1031 CG TYR A 392 -15.953 5.813 19.052 1.00 0.00 C ATOM 1032 CD1 TYR A 392 -15.907 7.182 18.858 1.00 0.00 C ATOM 1033 CD2 TYR A 392 -16.960 5.300 19.859 1.00 0.00 C ATOM 1034 CE1 TYR A 392 -16.830 8.016 19.445 1.00 0.00 C ATOM 1035 CE2 TYR A 392 -17.892 6.126 20.449 1.00 0.00 C ATOM 1036 CZ TYR A 392 -17.822 7.481 20.240 1.00 0.00 C ATOM 1037 OH TYR A 392 -18.755 8.308 20.817 1.00 0.00 O ATOM 0 H TYR A 392 -16.214 6.284 16.403 1.00 0.00 H new ATOM 0 HA TYR A 392 -14.613 3.793 16.569 1.00 0.00 H new ATOM 0 HB2 TYR A 392 -14.806 4.011 19.009 1.00 0.00 H new ATOM 0 HB3 TYR A 392 -13.983 5.404 18.335 1.00 0.00 H new ATOM 0 HD1 TYR A 392 -15.132 7.603 18.234 1.00 0.00 H new ATOM 0 HD2 TYR A 392 -17.014 4.235 20.027 1.00 0.00 H new ATOM 0 HE1 TYR A 392 -16.778 9.083 19.284 1.00 0.00 H new ATOM 0 HE2 TYR A 392 -18.671 5.711 21.071 1.00 0.00 H new ATOM 0 HH TYR A 392 -19.384 7.773 21.345 1.00 0.00 H new ATOM 1047 N ASN A 393 -17.709 4.387 16.526 1.00 0.00 N ATOM 1048 CA ASN A 393 -19.063 3.871 16.571 1.00 0.00 C ATOM 1049 C ASN A 393 -19.668 3.875 15.179 1.00 0.00 C ATOM 1050 O ASN A 393 -19.275 4.678 14.329 1.00 0.00 O ATOM 1051 CB ASN A 393 -19.915 4.735 17.516 1.00 0.00 C ATOM 1052 CG ASN A 393 -21.326 4.205 17.699 1.00 0.00 C ATOM 1053 OD1 ASN A 393 -21.560 2.998 17.659 1.00 0.00 O ATOM 1054 ND2 ASN A 393 -22.272 5.103 17.893 1.00 0.00 N ATOM 0 H ASN A 393 -17.621 5.284 16.048 1.00 0.00 H new ATOM 0 HA ASN A 393 -19.042 2.846 16.943 1.00 0.00 H new ATOM 0 HB2 ASN A 393 -19.425 4.790 18.488 1.00 0.00 H new ATOM 0 HB3 ASN A 393 -19.963 5.751 17.125 1.00 0.00 H new ATOM 0 HD21 ASN A 393 -23.240 4.806 18.017 1.00 0.00 H new ATOM 0 HD22 ASN A 393 -22.036 6.095 17.919 1.00 0.00 H new ATOM 1061 N GLU A 394 -20.614 2.983 14.949 1.00 0.00 N ATOM 1062 CA GLU A 394 -21.291 2.888 13.666 1.00 0.00 C ATOM 1063 C GLU A 394 -22.156 4.117 13.448 1.00 0.00 C ATOM 1064 O GLU A 394 -22.718 4.667 14.401 1.00 0.00 O ATOM 1065 CB GLU A 394 -22.159 1.641 13.629 1.00 0.00 C ATOM 1066 CG GLU A 394 -21.404 0.362 13.915 1.00 0.00 C ATOM 1067 CD GLU A 394 -22.326 -0.809 14.127 1.00 0.00 C ATOM 1068 OE1 GLU A 394 -22.884 -0.934 15.236 1.00 0.00 O ATOM 1069 OE2 GLU A 394 -22.497 -1.611 13.193 1.00 0.00 O1- ATOM 0 H GLU A 394 -20.934 2.306 15.642 1.00 0.00 H new ATOM 0 HA GLU A 394 -20.544 2.828 12.875 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -22.963 1.748 14.357 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -22.626 1.564 12.647 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -20.731 0.146 13.085 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -20.784 0.499 14.801 1.00 0.00 H new ATOM 1076 N ASP A 395 -22.269 4.548 12.210 1.00 0.00 N ATOM 1077 CA ASP A 395 -23.068 5.723 11.897 1.00 0.00 C ATOM 1078 C ASP A 395 -24.543 5.370 11.898 1.00 0.00 C ATOM 1079 O ASP A 395 -25.378 6.167 12.318 1.00 0.00 O ATOM 1080 CB ASP A 395 -22.669 6.312 10.543 1.00 0.00 C ATOM 1081 CG ASP A 395 -23.398 7.607 10.233 1.00 0.00 C ATOM 1082 OD1 ASP A 395 -24.499 7.554 9.652 1.00 0.00 O1- ATOM 1083 OD2 ASP A 395 -22.862 8.690 10.557 1.00 0.00 O ATOM 0 H ASP A 395 -21.822 4.109 11.405 1.00 0.00 H new ATOM 0 HA ASP A 395 -22.882 6.474 12.665 1.00 0.00 H new ATOM 0 HB2 ASP A 395 -21.594 6.493 10.532 1.00 0.00 H new ATOM 0 HB3 ASP A 395 -22.878 5.585 9.759 1.00 0.00 H new ATOM 1088 N ASP A 396 -24.849 4.158 11.444 1.00 0.00 N ATOM 1089 CA ASP A 396 -26.224 3.670 11.384 1.00 0.00 C ATOM 1090 C ASP A 396 -26.852 3.646 12.765 1.00 0.00 C ATOM 1091 O ASP A 396 -27.738 4.482 13.028 1.00 0.00 O ATOM 1092 CB ASP A 396 -26.275 2.273 10.759 1.00 0.00 C ATOM 1093 CG ASP A 396 -27.675 1.681 10.759 1.00 0.00 C ATOM 1094 OD1 ASP A 396 -28.478 2.049 9.883 1.00 0.00 O ATOM 1095 OD2 ASP A 396 -27.974 0.832 11.626 1.00 0.00 O1- ATOM 1096 OXT ASP A 396 -26.432 2.815 13.599 1.00 0.00 O ATOM 0 H ASP A 396 -24.155 3.489 11.109 1.00 0.00 H new ATOM 0 HA ASP A 396 -26.795 4.355 10.757 1.00 0.00 H new ATOM 0 HB2 ASP A 396 -25.907 2.324 9.734 1.00 0.00 H new ATOM 0 HB3 ASP A 396 -25.605 1.610 11.306 1.00 0.00 H new TER 1101 ASP A 396 HETATM 1102 ZN ZN A 401 -3.166 20.391 2.798 1.00 0.00 ZN HETATM 1103 ZN ZN A 402 -13.684 14.264 13.321 1.00 0.00 ZN