USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, 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 NoAdj-H: A 382 HIS HE2 : A 382 HIS NE2 : A 402 ZNZN :(H bumps) USER MOD Set 1.1: A 388 ASN : amide:sc= 0.165 X(o=0.33,f=0.35) USER MOD Set 1.2: A 392 TYR OH : rot -20:sc= 0.164 USER MOD Set 2.1: A 390 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Set 2.2: A 393 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Set 3.1: A 364 ASN : amide:sc= 1.95 K(o=2.6,f=-2.7!) USER MOD Set 3.2: A 366 ASN : amide:sc= 0.673 K(o=2.6,f=1.3) USER MOD Single : A 324 SER OG : rot 180:sc= 0 USER MOD Single : A 325 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 326 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 327 CYS SG : rot 180:sc= 0.125 USER MOD Single : A 331 SER OG : rot -5:sc= 1.22 USER MOD Single : A 333 THR OG1 : rot 59:sc= 0.0709 USER MOD Single : A 334 SER OG : rot 18:sc= 0.604 USER MOD Single : A 335 ASN : amide:sc= -1 K(o=-1,f=-6.8!) USER MOD Single : A 340 ASN : amide:sc= 1.18 K(o=1.2,f=-0.059) USER MOD Single : A 341 THR OG1 : rot -129:sc= -1.36! USER MOD Single : A 342 LYS NZ :NH3+ -160:sc= 0.816 (180deg=0.58) USER MOD Single : A 346 LYS NZ :NH3+ -167:sc= -0.0173 (180deg=-0.167) USER MOD Single : A 348 HIS : no HD1:sc= -0.0299 X(o=-0.03,f=-0.014) USER MOD Single : A 350 THR OG1 : rot 180:sc= 0 USER MOD Single : A 353 LYS NZ :NH3+ -163:sc= -0.0774 (180deg=-0.584) USER MOD Single : A 357 SER OG : rot 180:sc= 0.0022 USER MOD Single : A 358 ASN : amide:sc= -1.5 K(o=-1.5,f=-6.4!) USER MOD Single : A 359 HIS : no HE2:sc= -1.08 K(o=-1.1,f=-2.9!) USER MOD Single : A 360 MET CE :methyl -127:sc= -2.19! (180deg=-5.39!) USER MOD Single : A 365 GLN :FLIP amide:sc= -0.583 F(o=-4!,f=-0.58) USER MOD Single : A 368 LYS NZ :NH3+ 145:sc= -1.11! (180deg=-3.91!) USER MOD Single : A 384 SER OG : rot 180:sc= 0 USER MOD Single : A 387 TYR OH : rot 180:sc= 0.212 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 323 -1.478 4.979 -32.102 1.00 0.00 N ATOM 2 CA GLY A 323 -2.110 4.051 -33.062 1.00 0.00 C ATOM 3 C GLY A 323 -3.115 4.748 -33.950 1.00 0.00 C ATOM 4 O GLY A 323 -3.161 5.977 -33.999 1.00 0.00 O ATOM 0 HA2 GLY A 323 -1.340 3.589 -33.680 1.00 0.00 H new ATOM 0 HA3 GLY A 323 -2.605 3.248 -32.516 1.00 0.00 H new ATOM 10 N SER A 324 -3.922 3.970 -34.651 1.00 0.00 N ATOM 11 CA SER A 324 -4.933 4.513 -35.535 1.00 0.00 C ATOM 12 C SER A 324 -6.086 5.114 -34.732 1.00 0.00 C ATOM 13 O SER A 324 -6.469 6.262 -34.943 1.00 0.00 O ATOM 14 CB SER A 324 -5.461 3.418 -36.466 1.00 0.00 C ATOM 15 OG SER A 324 -4.396 2.773 -37.156 1.00 0.00 O ATOM 0 H SER A 324 -3.894 2.951 -34.622 1.00 0.00 H new ATOM 0 HA SER A 324 -4.478 5.303 -36.133 1.00 0.00 H new ATOM 0 HB2 SER A 324 -6.021 2.683 -35.887 1.00 0.00 H new ATOM 0 HB3 SER A 324 -6.155 3.852 -37.186 1.00 0.00 H new ATOM 0 HG SER A 324 -4.760 2.077 -37.742 1.00 0.00 H new ATOM 21 N LYS A 325 -6.628 4.337 -33.802 1.00 0.00 N ATOM 22 CA LYS A 325 -7.748 4.801 -32.991 1.00 0.00 C ATOM 23 C LYS A 325 -7.777 4.142 -31.606 1.00 0.00 C ATOM 24 O LYS A 325 -8.443 4.632 -30.699 1.00 0.00 O ATOM 25 CB LYS A 325 -9.076 4.589 -33.733 1.00 0.00 C ATOM 26 CG LYS A 325 -9.308 3.160 -34.203 1.00 0.00 C ATOM 27 CD LYS A 325 -10.524 3.061 -35.120 1.00 0.00 C ATOM 28 CE LYS A 325 -10.298 3.792 -36.439 1.00 0.00 C ATOM 29 NZ LYS A 325 -11.484 3.713 -37.328 1.00 0.00 N1+ ATOM 0 H LYS A 325 -6.314 3.390 -33.591 1.00 0.00 H new ATOM 0 HA LYS A 325 -7.608 5.869 -32.827 1.00 0.00 H new ATOM 0 HB2 LYS A 325 -9.896 4.881 -33.077 1.00 0.00 H new ATOM 0 HB3 LYS A 325 -9.106 5.253 -34.597 1.00 0.00 H new ATOM 0 HG2 LYS A 325 -8.424 2.802 -34.730 1.00 0.00 H new ATOM 0 HG3 LYS A 325 -9.449 2.511 -33.339 1.00 0.00 H new ATOM 0 HD2 LYS A 325 -10.745 2.012 -35.319 1.00 0.00 H new ATOM 0 HD3 LYS A 325 -11.395 3.481 -34.616 1.00 0.00 H new ATOM 0 HE2 LYS A 325 -10.064 4.838 -36.239 1.00 0.00 H new ATOM 0 HE3 LYS A 325 -9.434 3.364 -36.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 325 -11.289 4.222 -38.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 325 -11.693 2.717 -37.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 325 -12.303 4.145 -36.854 1.00 0.00 H new ATOM 43 N LYS A 326 -7.055 3.035 -31.447 1.00 0.00 N ATOM 44 CA LYS A 326 -6.974 2.374 -30.144 1.00 0.00 C ATOM 45 C LYS A 326 -6.141 3.218 -29.196 1.00 0.00 C ATOM 46 O LYS A 326 -4.929 3.363 -29.378 1.00 0.00 O ATOM 47 CB LYS A 326 -6.374 0.961 -30.259 1.00 0.00 C ATOM 48 CG LYS A 326 -7.366 -0.125 -30.678 1.00 0.00 C ATOM 49 CD LYS A 326 -7.915 0.100 -32.077 1.00 0.00 C ATOM 50 CE LYS A 326 -8.895 -0.990 -32.465 1.00 0.00 C ATOM 51 NZ LYS A 326 -9.455 -0.776 -33.819 1.00 0.00 N1+ ATOM 0 H LYS A 326 -6.525 2.581 -32.191 1.00 0.00 H new ATOM 0 HA LYS A 326 -7.986 2.271 -29.753 1.00 0.00 H new ATOM 0 HB2 LYS A 326 -5.558 0.986 -30.981 1.00 0.00 H new ATOM 0 HB3 LYS A 326 -5.941 0.686 -29.297 1.00 0.00 H new ATOM 0 HG2 LYS A 326 -6.875 -1.097 -30.635 1.00 0.00 H new ATOM 0 HG3 LYS A 326 -8.192 -0.153 -29.967 1.00 0.00 H new ATOM 0 HD2 LYS A 326 -8.409 1.070 -32.125 1.00 0.00 H new ATOM 0 HD3 LYS A 326 -7.093 0.125 -32.793 1.00 0.00 H new ATOM 0 HE2 LYS A 326 -8.394 -1.958 -32.429 1.00 0.00 H new ATOM 0 HE3 LYS A 326 -9.707 -1.023 -31.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 326 -10.120 -1.543 -34.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 326 -9.955 0.135 -33.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 326 -8.684 -0.770 -34.517 1.00 0.00 H new ATOM 65 N CYS A 327 -6.789 3.787 -28.207 1.00 0.00 N ATOM 66 CA CYS A 327 -6.120 4.651 -27.263 1.00 0.00 C ATOM 67 C CYS A 327 -5.534 3.867 -26.099 1.00 0.00 C ATOM 68 O CYS A 327 -6.134 2.905 -25.609 1.00 0.00 O ATOM 69 CB CYS A 327 -7.078 5.731 -26.764 1.00 0.00 C ATOM 70 SG CYS A 327 -8.693 5.105 -26.247 1.00 0.00 S ATOM 0 H CYS A 327 -7.787 3.666 -28.035 1.00 0.00 H new ATOM 0 HA CYS A 327 -5.289 5.131 -27.780 1.00 0.00 H new ATOM 0 HB2 CYS A 327 -6.616 6.251 -25.925 1.00 0.00 H new ATOM 0 HB3 CYS A 327 -7.222 6.467 -27.555 1.00 0.00 H new ATOM 0 HG CYS A 327 -9.431 6.094 -25.839 1.00 0.00 H new ATOM 76 N ASP A 328 -4.362 4.281 -25.669 1.00 0.00 N ATOM 77 CA ASP A 328 -3.682 3.654 -24.564 1.00 0.00 C ATOM 78 C ASP A 328 -3.783 4.541 -23.346 1.00 0.00 C ATOM 79 O ASP A 328 -2.943 5.410 -23.117 1.00 0.00 O ATOM 80 CB ASP A 328 -2.221 3.383 -24.916 1.00 0.00 C ATOM 81 CG ASP A 328 -1.453 2.738 -23.781 1.00 0.00 C ATOM 82 OD1 ASP A 328 -1.769 1.583 -23.425 1.00 0.00 O ATOM 83 OD2 ASP A 328 -0.515 3.373 -23.257 1.00 0.00 O1- ATOM 0 H ASP A 328 -3.855 5.065 -26.079 1.00 0.00 H new ATOM 0 HA ASP A 328 -4.156 2.696 -24.348 1.00 0.00 H new ATOM 0 HB2 ASP A 328 -2.177 2.736 -25.792 1.00 0.00 H new ATOM 0 HB3 ASP A 328 -1.738 4.321 -25.188 1.00 0.00 H new ATOM 88 N ASP A 329 -4.837 4.354 -22.600 1.00 0.00 N ATOM 89 CA ASP A 329 -5.098 5.157 -21.420 1.00 0.00 C ATOM 90 C ASP A 329 -5.132 4.282 -20.177 1.00 0.00 C ATOM 91 O ASP A 329 -5.675 3.178 -20.208 1.00 0.00 O ATOM 92 CB ASP A 329 -6.429 5.897 -21.589 1.00 0.00 C ATOM 93 CG ASP A 329 -6.760 6.801 -20.424 1.00 0.00 C ATOM 94 OD1 ASP A 329 -6.208 7.916 -20.356 1.00 0.00 O1- ATOM 95 OD2 ASP A 329 -7.578 6.404 -19.578 1.00 0.00 O ATOM 0 H ASP A 329 -5.544 3.643 -22.786 1.00 0.00 H new ATOM 0 HA ASP A 329 -4.296 5.885 -21.300 1.00 0.00 H new ATOM 0 HB2 ASP A 329 -6.394 6.491 -22.502 1.00 0.00 H new ATOM 0 HB3 ASP A 329 -7.229 5.168 -21.713 1.00 0.00 H new ATOM 100 N ASP A 330 -4.543 4.774 -19.088 1.00 0.00 N ATOM 101 CA ASP A 330 -4.504 4.024 -17.823 1.00 0.00 C ATOM 102 C ASP A 330 -5.900 3.867 -17.247 1.00 0.00 C ATOM 103 O ASP A 330 -6.232 2.824 -16.672 1.00 0.00 O ATOM 104 CB ASP A 330 -3.602 4.717 -16.792 1.00 0.00 C ATOM 105 CG ASP A 330 -2.128 4.648 -17.134 1.00 0.00 C ATOM 106 OD1 ASP A 330 -1.459 3.682 -16.710 1.00 0.00 O ATOM 107 OD2 ASP A 330 -1.624 5.569 -17.812 1.00 0.00 O1- ATOM 0 H ASP A 330 -4.086 5.685 -19.051 1.00 0.00 H new ATOM 0 HA ASP A 330 -4.092 3.039 -18.042 1.00 0.00 H new ATOM 0 HB2 ASP A 330 -3.898 5.762 -16.707 1.00 0.00 H new ATOM 0 HB3 ASP A 330 -3.762 4.260 -15.816 1.00 0.00 H new ATOM 112 N SER A 331 -6.707 4.918 -17.401 1.00 0.00 N ATOM 113 CA SER A 331 -8.089 4.946 -16.930 1.00 0.00 C ATOM 114 C SER A 331 -8.179 4.839 -15.409 1.00 0.00 C ATOM 115 O SER A 331 -9.166 4.352 -14.858 1.00 0.00 O ATOM 116 CB SER A 331 -8.909 3.858 -17.622 1.00 0.00 C ATOM 117 OG SER A 331 -8.885 4.052 -19.031 1.00 0.00 O ATOM 0 H SER A 331 -6.415 5.781 -17.861 1.00 0.00 H new ATOM 0 HA SER A 331 -8.513 5.914 -17.196 1.00 0.00 H new ATOM 0 HB2 SER A 331 -8.507 2.876 -17.375 1.00 0.00 H new ATOM 0 HB3 SER A 331 -9.937 3.881 -17.261 1.00 0.00 H new ATOM 0 HG SER A 331 -8.422 4.890 -19.238 1.00 0.00 H new ATOM 123 N GLU A 332 -7.158 5.343 -14.738 1.00 0.00 N ATOM 124 CA GLU A 332 -7.123 5.361 -13.287 1.00 0.00 C ATOM 125 C GLU A 332 -7.692 6.674 -12.791 1.00 0.00 C ATOM 126 O GLU A 332 -7.078 7.374 -11.992 1.00 0.00 O ATOM 127 CB GLU A 332 -5.697 5.195 -12.779 1.00 0.00 C ATOM 128 CG GLU A 332 -5.046 3.885 -13.164 1.00 0.00 C ATOM 129 CD GLU A 332 -3.680 3.739 -12.548 1.00 0.00 C ATOM 130 OE1 GLU A 332 -2.702 4.249 -13.127 1.00 0.00 O ATOM 131 OE2 GLU A 332 -3.578 3.129 -11.468 1.00 0.00 O1- ATOM 0 H GLU A 332 -6.334 5.749 -15.181 1.00 0.00 H new ATOM 0 HA GLU A 332 -7.720 4.531 -12.910 1.00 0.00 H new ATOM 0 HB2 GLU A 332 -5.090 6.015 -13.162 1.00 0.00 H new ATOM 0 HB3 GLU A 332 -5.699 5.280 -11.692 1.00 0.00 H new ATOM 0 HG2 GLU A 332 -5.679 3.057 -12.846 1.00 0.00 H new ATOM 0 HG3 GLU A 332 -4.964 3.825 -14.249 1.00 0.00 H new ATOM 138 N THR A 333 -8.862 7.002 -13.277 1.00 0.00 N ATOM 139 CA THR A 333 -9.522 8.229 -12.937 1.00 0.00 C ATOM 140 C THR A 333 -10.178 8.153 -11.553 1.00 0.00 C ATOM 141 O THR A 333 -11.407 8.126 -11.431 1.00 0.00 O ATOM 142 CB THR A 333 -10.566 8.566 -14.008 1.00 0.00 C ATOM 143 OG1 THR A 333 -11.222 7.355 -14.424 1.00 0.00 O ATOM 144 CG2 THR A 333 -9.904 9.215 -15.213 1.00 0.00 C ATOM 0 H THR A 333 -9.386 6.416 -13.927 1.00 0.00 H new ATOM 0 HA THR A 333 -8.773 9.020 -12.899 1.00 0.00 H new ATOM 0 HB THR A 333 -11.291 9.263 -13.587 1.00 0.00 H new ATOM 0 HG1 THR A 333 -11.651 6.933 -13.651 1.00 0.00 H new ATOM 0 HG21 THR A 333 -10.660 9.447 -15.963 1.00 0.00 H new ATOM 0 HG22 THR A 333 -9.406 10.134 -14.904 1.00 0.00 H new ATOM 0 HG23 THR A 333 -9.170 8.530 -15.638 1.00 0.00 H new ATOM 152 N SER A 334 -9.330 8.094 -10.516 1.00 0.00 N ATOM 153 CA SER A 334 -9.758 8.023 -9.106 1.00 0.00 C ATOM 154 C SER A 334 -10.789 6.938 -8.867 1.00 0.00 C ATOM 155 O SER A 334 -11.664 7.069 -8.010 1.00 0.00 O ATOM 156 CB SER A 334 -10.266 9.381 -8.603 1.00 0.00 C ATOM 157 OG SER A 334 -11.270 9.923 -9.457 1.00 0.00 O ATOM 0 H SER A 334 -8.316 8.094 -10.631 1.00 0.00 H new ATOM 0 HA SER A 334 -8.873 7.756 -8.529 1.00 0.00 H new ATOM 0 HB2 SER A 334 -10.668 9.268 -7.596 1.00 0.00 H new ATOM 0 HB3 SER A 334 -9.431 10.079 -8.536 1.00 0.00 H new ATOM 0 HG SER A 334 -11.638 9.212 -10.022 1.00 0.00 H new ATOM 163 N ASN A 335 -10.643 5.848 -9.590 1.00 0.00 N ATOM 164 CA ASN A 335 -11.562 4.729 -9.499 1.00 0.00 C ATOM 165 C ASN A 335 -11.609 4.155 -8.086 1.00 0.00 C ATOM 166 O ASN A 335 -12.652 3.689 -7.632 1.00 0.00 O ATOM 167 CB ASN A 335 -11.186 3.629 -10.502 1.00 0.00 C ATOM 168 CG ASN A 335 -9.762 3.114 -10.315 1.00 0.00 C ATOM 169 OD1 ASN A 335 -8.853 3.866 -9.959 1.00 0.00 O ATOM 170 ND2 ASN A 335 -9.568 1.838 -10.535 1.00 0.00 N ATOM 0 H ASN A 335 -9.884 5.711 -10.258 1.00 0.00 H new ATOM 0 HA ASN A 335 -12.555 5.105 -9.745 1.00 0.00 H new ATOM 0 HB2 ASN A 335 -11.884 2.798 -10.400 1.00 0.00 H new ATOM 0 HB3 ASN A 335 -11.297 4.015 -11.515 1.00 0.00 H new ATOM 0 HD21 ASN A 335 -8.639 1.435 -10.413 1.00 0.00 H new ATOM 0 HD22 ASN A 335 -10.346 1.247 -10.829 1.00 0.00 H new ATOM 177 N TRP A 336 -10.490 4.204 -7.387 1.00 0.00 N ATOM 178 CA TRP A 336 -10.427 3.663 -6.037 1.00 0.00 C ATOM 179 C TRP A 336 -10.505 4.771 -5.001 1.00 0.00 C ATOM 180 O TRP A 336 -11.118 4.606 -3.949 1.00 0.00 O ATOM 181 CB TRP A 336 -9.169 2.799 -5.836 1.00 0.00 C ATOM 182 CG TRP A 336 -7.872 3.518 -6.074 1.00 0.00 C ATOM 183 CD1 TRP A 336 -7.310 3.820 -7.280 1.00 0.00 C ATOM 184 CD2 TRP A 336 -6.968 4.011 -5.076 1.00 0.00 C ATOM 185 NE1 TRP A 336 -6.123 4.479 -7.093 1.00 0.00 N ATOM 186 CE2 TRP A 336 -5.889 4.607 -5.752 1.00 0.00 C ATOM 187 CE3 TRP A 336 -6.969 4.008 -3.678 1.00 0.00 C ATOM 188 CZ2 TRP A 336 -4.824 5.196 -5.080 1.00 0.00 C ATOM 189 CZ3 TRP A 336 -5.909 4.591 -3.013 1.00 0.00 C ATOM 190 CH2 TRP A 336 -4.851 5.179 -3.713 1.00 0.00 C ATOM 0 H TRP A 336 -9.617 4.609 -7.726 1.00 0.00 H new ATOM 0 HA TRP A 336 -11.293 3.016 -5.899 1.00 0.00 H new ATOM 0 HB2 TRP A 336 -9.171 2.408 -4.818 1.00 0.00 H new ATOM 0 HB3 TRP A 336 -9.222 1.941 -6.507 1.00 0.00 H new ATOM 0 HD1 TRP A 336 -7.738 3.576 -8.241 1.00 0.00 H new ATOM 0 HE1 TRP A 336 -5.512 4.819 -7.835 1.00 0.00 H new ATOM 0 HE3 TRP A 336 -7.783 3.558 -3.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 336 -4.005 5.650 -5.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 336 -5.897 4.593 -1.933 1.00 0.00 H new ATOM 0 HH2 TRP A 336 -4.038 5.629 -3.162 1.00 0.00 H new ATOM 201 N ILE A 337 -9.905 5.905 -5.320 1.00 0.00 N ATOM 202 CA ILE A 337 -9.905 7.072 -4.440 1.00 0.00 C ATOM 203 C ILE A 337 -11.329 7.496 -4.086 1.00 0.00 C ATOM 204 O ILE A 337 -11.579 8.019 -3.004 1.00 0.00 O ATOM 205 CB ILE A 337 -9.159 8.252 -5.110 1.00 0.00 C ATOM 206 CG1 ILE A 337 -7.689 7.888 -5.308 1.00 0.00 C ATOM 207 CG2 ILE A 337 -9.294 9.535 -4.288 1.00 0.00 C ATOM 208 CD1 ILE A 337 -6.956 8.807 -6.252 1.00 0.00 C ATOM 0 H ILE A 337 -9.402 6.048 -6.196 1.00 0.00 H new ATOM 0 HA ILE A 337 -9.389 6.796 -3.520 1.00 0.00 H new ATOM 0 HB ILE A 337 -9.613 8.439 -6.083 1.00 0.00 H new ATOM 0 HG12 ILE A 337 -7.188 7.901 -4.340 1.00 0.00 H new ATOM 0 HG13 ILE A 337 -7.625 6.868 -5.686 1.00 0.00 H new ATOM 0 HG21 ILE A 337 -8.759 10.344 -4.786 1.00 0.00 H new ATOM 0 HG22 ILE A 337 -10.348 9.799 -4.196 1.00 0.00 H new ATOM 0 HG23 ILE A 337 -8.872 9.377 -3.296 1.00 0.00 H new ATOM 0 HD11 ILE A 337 -5.919 8.485 -6.341 1.00 0.00 H new ATOM 0 HD12 ILE A 337 -7.431 8.776 -7.232 1.00 0.00 H new ATOM 0 HD13 ILE A 337 -6.987 9.826 -5.866 1.00 0.00 H new ATOM 220 N ALA A 338 -12.257 7.216 -4.997 1.00 0.00 N ATOM 221 CA ALA A 338 -13.663 7.564 -4.827 1.00 0.00 C ATOM 222 C ALA A 338 -14.219 7.115 -3.469 1.00 0.00 C ATOM 223 O ALA A 338 -15.053 7.805 -2.876 1.00 0.00 O ATOM 224 CB ALA A 338 -14.483 6.957 -5.953 1.00 0.00 C ATOM 0 H ALA A 338 -12.054 6.740 -5.876 1.00 0.00 H new ATOM 0 HA ALA A 338 -13.736 8.651 -4.859 1.00 0.00 H new ATOM 0 HB1 ALA A 338 -15.533 7.220 -5.821 1.00 0.00 H new ATOM 0 HB2 ALA A 338 -14.130 7.343 -6.909 1.00 0.00 H new ATOM 0 HB3 ALA A 338 -14.376 5.872 -5.937 1.00 0.00 H new ATOM 230 N ALA A 339 -13.743 5.979 -2.967 1.00 0.00 N ATOM 231 CA ALA A 339 -14.247 5.463 -1.699 1.00 0.00 C ATOM 232 C ALA A 339 -13.151 4.836 -0.844 1.00 0.00 C ATOM 233 O ALA A 339 -13.443 4.138 0.129 1.00 0.00 O ATOM 234 CB ALA A 339 -15.366 4.461 -1.946 1.00 0.00 C ATOM 0 H ALA A 339 -13.023 5.408 -3.409 1.00 0.00 H new ATOM 0 HA ALA A 339 -14.638 6.313 -1.140 1.00 0.00 H new ATOM 0 HB1 ALA A 339 -15.733 4.083 -0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 339 -16.180 4.950 -2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 339 -14.986 3.631 -2.543 1.00 0.00 H new ATOM 240 N ASN A 340 -11.899 5.088 -1.181 1.00 0.00 N ATOM 241 CA ASN A 340 -10.795 4.514 -0.413 1.00 0.00 C ATOM 242 C ASN A 340 -9.811 5.575 0.027 1.00 0.00 C ATOM 243 O ASN A 340 -8.917 5.309 0.830 1.00 0.00 O ATOM 244 CB ASN A 340 -10.067 3.432 -1.219 1.00 0.00 C ATOM 245 CG ASN A 340 -10.942 2.233 -1.515 1.00 0.00 C ATOM 246 OD1 ASN A 340 -11.010 1.283 -0.732 1.00 0.00 O ATOM 247 ND2 ASN A 340 -11.615 2.267 -2.641 1.00 0.00 N ATOM 0 H ASN A 340 -11.618 5.675 -1.966 1.00 0.00 H new ATOM 0 HA ASN A 340 -11.229 4.059 0.477 1.00 0.00 H new ATOM 0 HB2 ASN A 340 -9.715 3.860 -2.158 1.00 0.00 H new ATOM 0 HB3 ASN A 340 -9.186 3.105 -0.667 1.00 0.00 H new ATOM 0 HD21 ASN A 340 -12.222 1.488 -2.896 1.00 0.00 H new ATOM 0 HD22 ASN A 340 -11.531 3.072 -3.261 1.00 0.00 H new ATOM 254 N THR A 341 -9.976 6.771 -0.483 1.00 0.00 N ATOM 255 CA THR A 341 -9.066 7.854 -0.159 1.00 0.00 C ATOM 256 C THR A 341 -9.802 9.185 -0.137 1.00 0.00 C ATOM 257 O THR A 341 -10.940 9.275 -0.590 1.00 0.00 O ATOM 258 CB THR A 341 -7.912 7.929 -1.175 1.00 0.00 C ATOM 259 OG1 THR A 341 -7.941 6.778 -2.029 1.00 0.00 O ATOM 260 CG2 THR A 341 -6.579 7.984 -0.458 1.00 0.00 C ATOM 0 H THR A 341 -10.729 7.024 -1.123 1.00 0.00 H new ATOM 0 HA THR A 341 -8.655 7.652 0.830 1.00 0.00 H new ATOM 0 HB THR A 341 -8.034 8.833 -1.771 1.00 0.00 H new ATOM 0 HG1 THR A 341 -7.053 6.364 -2.050 1.00 0.00 H new ATOM 0 HG21 THR A 341 -5.774 8.037 -1.191 1.00 0.00 H new ATOM 0 HG22 THR A 341 -6.546 8.866 0.182 1.00 0.00 H new ATOM 0 HG23 THR A 341 -6.457 7.089 0.152 1.00 0.00 H new ATOM 268 N LYS A 342 -9.164 10.213 0.397 1.00 0.00 N ATOM 269 CA LYS A 342 -9.767 11.532 0.463 1.00 0.00 C ATOM 270 C LYS A 342 -8.719 12.595 0.211 1.00 0.00 C ATOM 271 O LYS A 342 -7.555 12.281 -0.054 1.00 0.00 O ATOM 272 CB LYS A 342 -10.465 11.770 1.818 1.00 0.00 C ATOM 273 CG LYS A 342 -11.574 10.770 2.120 1.00 0.00 C ATOM 274 CD LYS A 342 -12.499 11.241 3.239 1.00 0.00 C ATOM 275 CE LYS A 342 -11.762 11.448 4.554 1.00 0.00 C ATOM 276 NZ LYS A 342 -12.701 11.697 5.674 1.00 0.00 N1+ ATOM 0 H LYS A 342 -8.225 10.158 0.792 1.00 0.00 H new ATOM 0 HA LYS A 342 -10.530 11.593 -0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 342 -9.721 11.725 2.613 1.00 0.00 H new ATOM 0 HB3 LYS A 342 -10.883 12.777 1.830 1.00 0.00 H new ATOM 0 HG2 LYS A 342 -12.160 10.599 1.217 1.00 0.00 H new ATOM 0 HG3 LYS A 342 -11.131 9.814 2.398 1.00 0.00 H new ATOM 0 HD2 LYS A 342 -12.977 12.175 2.943 1.00 0.00 H new ATOM 0 HD3 LYS A 342 -13.293 10.508 3.382 1.00 0.00 H new ATOM 0 HE2 LYS A 342 -11.157 10.569 4.775 1.00 0.00 H new ATOM 0 HE3 LYS A 342 -11.077 12.291 4.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 342 -12.194 12.158 6.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 342 -13.472 12.314 5.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 342 -13.096 10.793 6.003 1.00 0.00 H new ATOM 290 N GLU A 343 -9.121 13.841 0.300 1.00 0.00 N ATOM 291 CA GLU A 343 -8.219 14.945 0.048 1.00 0.00 C ATOM 292 C GLU A 343 -8.145 15.859 1.249 1.00 0.00 C ATOM 293 O GLU A 343 -8.974 15.776 2.159 1.00 0.00 O ATOM 294 CB GLU A 343 -8.670 15.738 -1.181 1.00 0.00 C ATOM 295 CG GLU A 343 -8.748 14.911 -2.450 1.00 0.00 C ATOM 296 CD GLU A 343 -9.139 15.726 -3.659 1.00 0.00 C ATOM 297 OE1 GLU A 343 -10.230 16.332 -3.655 1.00 0.00 O1- ATOM 298 OE2 GLU A 343 -8.353 15.770 -4.624 1.00 0.00 O ATOM 0 H GLU A 343 -10.071 14.119 0.546 1.00 0.00 H new ATOM 0 HA GLU A 343 -7.228 14.534 -0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 343 -9.649 16.173 -0.981 1.00 0.00 H new ATOM 0 HB3 GLU A 343 -7.980 16.566 -1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 343 -7.781 14.442 -2.632 1.00 0.00 H new ATOM 0 HG3 GLU A 343 -9.471 14.108 -2.310 1.00 0.00 H new ATOM 305 N CYS A 344 -7.139 16.716 1.252 1.00 0.00 N ATOM 306 CA CYS A 344 -6.961 17.691 2.304 1.00 0.00 C ATOM 307 C CYS A 344 -8.068 18.727 2.234 1.00 0.00 C ATOM 308 O CYS A 344 -8.338 19.277 1.175 1.00 0.00 O ATOM 309 CB CYS A 344 -5.597 18.367 2.152 1.00 0.00 C ATOM 310 SG CYS A 344 -5.241 19.667 3.383 1.00 0.00 S ATOM 0 H CYS A 344 -6.425 16.752 0.524 1.00 0.00 H new ATOM 0 HA CYS A 344 -7.004 17.192 3.272 1.00 0.00 H new ATOM 0 HB2 CYS A 344 -4.821 17.604 2.216 1.00 0.00 H new ATOM 0 HB3 CYS A 344 -5.533 18.804 1.155 1.00 0.00 H new ATOM 315 N PRO A 345 -8.710 19.017 3.358 1.00 0.00 N ATOM 316 CA PRO A 345 -9.791 19.992 3.409 1.00 0.00 C ATOM 317 C PRO A 345 -9.264 21.423 3.379 1.00 0.00 C ATOM 318 O PRO A 345 -10.033 22.389 3.433 1.00 0.00 O ATOM 319 CB PRO A 345 -10.468 19.698 4.746 1.00 0.00 C ATOM 320 CG PRO A 345 -9.388 19.121 5.600 1.00 0.00 C ATOM 321 CD PRO A 345 -8.438 18.413 4.670 1.00 0.00 C ATOM 0 HA PRO A 345 -10.462 19.912 2.554 1.00 0.00 H new ATOM 0 HB2 PRO A 345 -10.881 20.605 5.189 1.00 0.00 H new ATOM 0 HB3 PRO A 345 -11.294 18.997 4.626 1.00 0.00 H new ATOM 0 HG2 PRO A 345 -8.874 19.904 6.157 1.00 0.00 H new ATOM 0 HG3 PRO A 345 -9.802 18.428 6.333 1.00 0.00 H new ATOM 0 HD2 PRO A 345 -7.401 18.561 4.970 1.00 0.00 H new ATOM 0 HD3 PRO A 345 -8.617 17.338 4.659 1.00 0.00 H new ATOM 329 N LYS A 346 -7.954 21.552 3.280 1.00 0.00 N ATOM 330 CA LYS A 346 -7.315 22.842 3.268 1.00 0.00 C ATOM 331 C LYS A 346 -6.778 23.194 1.879 1.00 0.00 C ATOM 332 O LYS A 346 -7.105 24.245 1.333 1.00 0.00 O ATOM 333 CB LYS A 346 -6.207 22.889 4.331 1.00 0.00 C ATOM 334 CG LYS A 346 -5.078 23.856 4.021 1.00 0.00 C ATOM 335 CD LYS A 346 -4.195 24.103 5.230 1.00 0.00 C ATOM 336 CE LYS A 346 -4.894 24.910 6.315 1.00 0.00 C ATOM 337 NZ LYS A 346 -5.215 26.288 5.868 1.00 0.00 N1+ ATOM 0 H LYS A 346 -7.310 20.764 3.206 1.00 0.00 H new ATOM 0 HA LYS A 346 -8.062 23.597 3.514 1.00 0.00 H new ATOM 0 HB2 LYS A 346 -6.651 23.163 5.288 1.00 0.00 H new ATOM 0 HB3 LYS A 346 -5.790 21.889 4.448 1.00 0.00 H new ATOM 0 HG2 LYS A 346 -4.474 23.459 3.205 1.00 0.00 H new ATOM 0 HG3 LYS A 346 -5.495 24.802 3.677 1.00 0.00 H new ATOM 0 HD2 LYS A 346 -3.877 23.146 5.643 1.00 0.00 H new ATOM 0 HD3 LYS A 346 -3.294 24.630 4.915 1.00 0.00 H new ATOM 0 HE2 LYS A 346 -5.812 24.402 6.609 1.00 0.00 H new ATOM 0 HE3 LYS A 346 -4.258 24.955 7.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 346 -5.484 26.866 6.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 346 -4.382 26.707 5.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 346 -6.005 26.259 5.192 1.00 0.00 H new ATOM 351 N CYS A 347 -5.969 22.322 1.305 1.00 0.00 N ATOM 352 CA CYS A 347 -5.390 22.595 -0.008 1.00 0.00 C ATOM 353 C CYS A 347 -5.961 21.680 -1.086 1.00 0.00 C ATOM 354 O CYS A 347 -5.629 21.824 -2.266 1.00 0.00 O ATOM 355 CB CYS A 347 -3.872 22.472 0.047 1.00 0.00 C ATOM 356 SG CYS A 347 -3.274 20.846 0.571 1.00 0.00 S ATOM 0 H CYS A 347 -5.698 21.429 1.716 1.00 0.00 H new ATOM 0 HA CYS A 347 -5.655 23.617 -0.277 1.00 0.00 H new ATOM 0 HB2 CYS A 347 -3.465 22.695 -0.939 1.00 0.00 H new ATOM 0 HB3 CYS A 347 -3.483 23.227 0.730 1.00 0.00 H new ATOM 361 N HIS A 348 -6.805 20.744 -0.667 1.00 0.00 N ATOM 362 CA HIS A 348 -7.447 19.785 -1.571 1.00 0.00 C ATOM 363 C HIS A 348 -6.429 18.961 -2.340 1.00 0.00 C ATOM 364 O HIS A 348 -6.436 18.923 -3.575 1.00 0.00 O ATOM 365 CB HIS A 348 -8.428 20.467 -2.533 1.00 0.00 C ATOM 366 CG HIS A 348 -9.707 20.916 -1.888 1.00 0.00 C ATOM 367 ND1 HIS A 348 -10.917 20.764 -2.521 1.00 0.00 N ATOM 368 CD2 HIS A 348 -9.910 21.506 -0.686 1.00 0.00 C ATOM 369 CE1 HIS A 348 -11.823 21.258 -1.696 1.00 0.00 C ATOM 370 NE2 HIS A 348 -11.262 21.720 -0.575 1.00 0.00 N ATOM 0 H HIS A 348 -7.067 20.625 0.312 1.00 0.00 H new ATOM 0 HA HIS A 348 -8.020 19.106 -0.940 1.00 0.00 H new ATOM 0 HB2 HIS A 348 -7.938 21.330 -2.983 1.00 0.00 H new ATOM 0 HB3 HIS A 348 -8.665 19.777 -3.343 1.00 0.00 H new ATOM 0 HD2 HIS A 348 -9.155 21.759 0.044 1.00 0.00 H new ATOM 0 HE1 HIS A 348 -12.883 21.285 -1.902 1.00 0.00 H new ATOM 0 HE2 HIS A 348 -11.746 22.150 0.213 1.00 0.00 H new ATOM 378 N VAL A 349 -5.554 18.309 -1.614 1.00 0.00 N ATOM 379 CA VAL A 349 -4.565 17.448 -2.214 1.00 0.00 C ATOM 380 C VAL A 349 -4.913 16.002 -1.907 1.00 0.00 C ATOM 381 O VAL A 349 -5.391 15.700 -0.815 1.00 0.00 O ATOM 382 CB VAL A 349 -3.126 17.767 -1.707 1.00 0.00 C ATOM 383 CG1 VAL A 349 -3.024 17.561 -0.216 1.00 0.00 C ATOM 384 CG2 VAL A 349 -2.084 16.928 -2.436 1.00 0.00 C ATOM 0 H VAL A 349 -5.507 18.360 -0.596 1.00 0.00 H new ATOM 0 HA VAL A 349 -4.574 17.620 -3.290 1.00 0.00 H new ATOM 0 HB VAL A 349 -2.924 18.816 -1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 349 -2.011 17.790 0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 349 -3.729 18.220 0.291 1.00 0.00 H new ATOM 0 HG13 VAL A 349 -3.259 16.524 0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 349 -1.091 17.174 -2.060 1.00 0.00 H new ATOM 0 HG22 VAL A 349 -2.285 15.870 -2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 349 -2.130 17.139 -3.504 1.00 0.00 H new ATOM 394 N THR A 350 -4.710 15.121 -2.866 1.00 0.00 N ATOM 395 CA THR A 350 -4.996 13.727 -2.662 1.00 0.00 C ATOM 396 C THR A 350 -4.034 13.146 -1.641 1.00 0.00 C ATOM 397 O THR A 350 -2.831 13.049 -1.885 1.00 0.00 O ATOM 398 CB THR A 350 -4.885 12.948 -3.972 1.00 0.00 C ATOM 399 OG1 THR A 350 -5.572 13.670 -5.009 1.00 0.00 O ATOM 400 CG2 THR A 350 -5.505 11.569 -3.828 1.00 0.00 C ATOM 0 H THR A 350 -4.348 15.352 -3.791 1.00 0.00 H new ATOM 0 HA THR A 350 -6.018 13.640 -2.293 1.00 0.00 H new ATOM 0 HB THR A 350 -3.831 12.834 -4.226 1.00 0.00 H new ATOM 0 HG1 THR A 350 -5.503 13.176 -5.853 1.00 0.00 H new ATOM 0 HG21 THR A 350 -5.416 11.030 -4.771 1.00 0.00 H new ATOM 0 HG22 THR A 350 -4.986 11.017 -3.044 1.00 0.00 H new ATOM 0 HG23 THR A 350 -6.558 11.669 -3.565 1.00 0.00 H new ATOM 408 N ILE A 351 -4.560 12.787 -0.494 1.00 0.00 N ATOM 409 CA ILE A 351 -3.753 12.248 0.564 1.00 0.00 C ATOM 410 C ILE A 351 -4.004 10.764 0.675 1.00 0.00 C ATOM 411 O ILE A 351 -4.613 10.174 -0.208 1.00 0.00 O ATOM 412 CB ILE A 351 -4.067 12.936 1.918 1.00 0.00 C ATOM 413 CG1 ILE A 351 -5.486 12.596 2.368 1.00 0.00 C ATOM 414 CG2 ILE A 351 -3.894 14.450 1.806 1.00 0.00 C ATOM 415 CD1 ILE A 351 -5.950 13.371 3.575 1.00 0.00 C ATOM 0 H ILE A 351 -5.553 12.861 -0.273 1.00 0.00 H new ATOM 0 HA ILE A 351 -2.705 12.433 0.328 1.00 0.00 H new ATOM 0 HB ILE A 351 -3.365 12.564 2.664 1.00 0.00 H new ATOM 0 HG12 ILE A 351 -6.173 12.784 1.543 1.00 0.00 H new ATOM 0 HG13 ILE A 351 -5.540 11.530 2.591 1.00 0.00 H new ATOM 0 HG21 ILE A 351 -4.119 14.914 2.766 1.00 0.00 H new ATOM 0 HG22 ILE A 351 -2.866 14.679 1.524 1.00 0.00 H new ATOM 0 HG23 ILE A 351 -4.573 14.839 1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 351 -6.966 13.072 3.831 1.00 0.00 H new ATOM 0 HD12 ILE A 351 -5.288 13.165 4.416 1.00 0.00 H new ATOM 0 HD13 ILE A 351 -5.931 14.438 3.352 1.00 0.00 H new ATOM 427 N GLU A 352 -3.546 10.170 1.748 1.00 0.00 N ATOM 428 CA GLU A 352 -3.747 8.759 1.983 1.00 0.00 C ATOM 429 C GLU A 352 -3.526 8.465 3.448 1.00 0.00 C ATOM 430 O GLU A 352 -2.522 8.882 4.025 1.00 0.00 O ATOM 431 CB GLU A 352 -2.809 7.915 1.123 1.00 0.00 C ATOM 432 CG GLU A 352 -3.209 6.452 1.051 1.00 0.00 C ATOM 433 CD GLU A 352 -2.177 5.598 0.356 1.00 0.00 C ATOM 434 OE1 GLU A 352 -2.198 5.516 -0.889 1.00 0.00 O ATOM 435 OE2 GLU A 352 -1.332 5.002 1.052 1.00 0.00 O1- ATOM 0 H GLU A 352 -3.024 10.648 2.483 1.00 0.00 H new ATOM 0 HA GLU A 352 -4.769 8.498 1.706 1.00 0.00 H new ATOM 0 HB2 GLU A 352 -2.784 8.327 0.114 1.00 0.00 H new ATOM 0 HB3 GLU A 352 -1.798 7.988 1.523 1.00 0.00 H new ATOM 0 HG2 GLU A 352 -3.367 6.073 2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 352 -4.160 6.365 0.525 1.00 0.00 H new ATOM 442 N LYS A 353 -4.468 7.773 4.048 1.00 0.00 N ATOM 443 CA LYS A 353 -4.417 7.473 5.469 1.00 0.00 C ATOM 444 C LYS A 353 -3.279 6.503 5.796 1.00 0.00 C ATOM 445 O LYS A 353 -2.984 5.587 5.024 1.00 0.00 O ATOM 446 CB LYS A 353 -5.760 6.914 5.926 1.00 0.00 C ATOM 447 CG LYS A 353 -5.899 6.757 7.431 1.00 0.00 C ATOM 448 CD LYS A 353 -5.912 8.098 8.148 1.00 0.00 C ATOM 449 CE LYS A 353 -6.268 7.928 9.616 1.00 0.00 C ATOM 450 NZ LYS A 353 -7.479 7.078 9.804 1.00 0.00 N1+ ATOM 0 H LYS A 353 -5.290 7.402 3.571 1.00 0.00 H new ATOM 0 HA LYS A 353 -4.216 8.398 6.010 1.00 0.00 H new ATOM 0 HB2 LYS A 353 -6.553 7.570 5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 353 -5.913 5.942 5.457 1.00 0.00 H new ATOM 0 HG2 LYS A 353 -6.819 6.218 7.655 1.00 0.00 H new ATOM 0 HG3 LYS A 353 -5.075 6.152 7.809 1.00 0.00 H new ATOM 0 HD2 LYS A 353 -4.934 8.571 8.060 1.00 0.00 H new ATOM 0 HD3 LYS A 353 -6.632 8.763 7.670 1.00 0.00 H new ATOM 0 HE2 LYS A 353 -5.426 7.480 10.143 1.00 0.00 H new ATOM 0 HE3 LYS A 353 -6.440 8.907 10.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 353 -7.855 7.217 10.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 353 -8.202 7.345 9.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 353 -7.225 6.078 9.673 1.00 0.00 H new ATOM 464 N ASP A 354 -2.652 6.716 6.944 1.00 0.00 N ATOM 465 CA ASP A 354 -1.520 5.897 7.377 1.00 0.00 C ATOM 466 C ASP A 354 -1.986 4.710 8.208 1.00 0.00 C ATOM 467 O ASP A 354 -1.547 3.581 7.997 1.00 0.00 O ATOM 468 CB ASP A 354 -0.532 6.740 8.188 1.00 0.00 C ATOM 469 CG ASP A 354 0.652 5.933 8.692 1.00 0.00 C ATOM 470 OD1 ASP A 354 1.578 5.672 7.900 1.00 0.00 O1- ATOM 471 OD2 ASP A 354 0.664 5.564 9.884 1.00 0.00 O ATOM 0 H ASP A 354 -2.908 7.454 7.600 1.00 0.00 H new ATOM 0 HA ASP A 354 -1.022 5.518 6.484 1.00 0.00 H new ATOM 0 HB2 ASP A 354 -0.170 7.562 7.570 1.00 0.00 H new ATOM 0 HB3 ASP A 354 -1.051 7.184 9.037 1.00 0.00 H new ATOM 476 N GLY A 355 -2.882 4.966 9.143 1.00 0.00 N ATOM 477 CA GLY A 355 -3.378 3.926 9.983 1.00 0.00 C ATOM 478 C GLY A 355 -4.430 4.435 10.932 1.00 0.00 C ATOM 479 O GLY A 355 -5.014 5.492 10.704 1.00 0.00 O ATOM 0 H GLY A 355 -3.273 5.890 9.329 1.00 0.00 H new ATOM 0 HA2 GLY A 355 -3.797 3.129 9.368 1.00 0.00 H new ATOM 0 HA3 GLY A 355 -2.555 3.492 10.550 1.00 0.00 H new ATOM 483 N GLY A 356 -4.643 3.714 12.012 1.00 0.00 N ATOM 484 CA GLY A 356 -5.667 4.082 12.976 1.00 0.00 C ATOM 485 C GLY A 356 -5.214 5.152 13.956 1.00 0.00 C ATOM 486 O GLY A 356 -5.741 5.253 15.060 1.00 0.00 O ATOM 0 H GLY A 356 -4.123 2.869 12.248 1.00 0.00 H new ATOM 0 HA2 GLY A 356 -6.548 4.438 12.442 1.00 0.00 H new ATOM 0 HA3 GLY A 356 -5.969 3.194 13.532 1.00 0.00 H new ATOM 490 N SER A 357 -4.241 5.952 13.551 1.00 0.00 N ATOM 491 CA SER A 357 -3.730 7.016 14.394 1.00 0.00 C ATOM 492 C SER A 357 -4.722 8.174 14.452 1.00 0.00 C ATOM 493 O SER A 357 -4.742 8.939 15.420 1.00 0.00 O ATOM 494 CB SER A 357 -2.399 7.512 13.845 1.00 0.00 C ATOM 495 OG SER A 357 -1.634 6.438 13.325 1.00 0.00 O ATOM 0 H SER A 357 -3.789 5.883 12.639 1.00 0.00 H new ATOM 0 HA SER A 357 -3.587 6.625 15.401 1.00 0.00 H new ATOM 0 HB2 SER A 357 -2.576 8.250 13.062 1.00 0.00 H new ATOM 0 HB3 SER A 357 -1.839 8.013 14.635 1.00 0.00 H new ATOM 0 HG SER A 357 -0.784 6.780 12.976 1.00 0.00 H new ATOM 501 N ASN A 358 -5.532 8.299 13.384 1.00 0.00 N ATOM 502 CA ASN A 358 -6.554 9.361 13.242 1.00 0.00 C ATOM 503 C ASN A 358 -5.912 10.700 12.904 1.00 0.00 C ATOM 504 O ASN A 358 -6.442 11.465 12.094 1.00 0.00 O ATOM 505 CB ASN A 358 -7.427 9.481 14.499 1.00 0.00 C ATOM 506 CG ASN A 358 -8.899 9.493 14.188 1.00 0.00 C ATOM 507 OD1 ASN A 358 -9.523 8.439 14.056 1.00 0.00 O ATOM 508 ND2 ASN A 358 -9.472 10.672 14.088 1.00 0.00 N ATOM 0 H ASN A 358 -5.498 7.663 12.588 1.00 0.00 H new ATOM 0 HA ASN A 358 -7.203 9.074 12.414 1.00 0.00 H new ATOM 0 HB2 ASN A 358 -7.209 8.649 15.168 1.00 0.00 H new ATOM 0 HB3 ASN A 358 -7.165 10.395 15.031 1.00 0.00 H new ATOM 0 HD21 ASN A 358 -10.471 10.739 13.894 1.00 0.00 H new ATOM 0 HD22 ASN A 358 -8.917 11.520 14.204 1.00 0.00 H new ATOM 515 N HIS A 359 -4.770 10.968 13.522 1.00 0.00 N ATOM 516 CA HIS A 359 -4.015 12.183 13.279 1.00 0.00 C ATOM 517 C HIS A 359 -3.405 12.137 11.879 1.00 0.00 C ATOM 518 O HIS A 359 -2.319 11.585 11.671 1.00 0.00 O ATOM 519 CB HIS A 359 -2.916 12.334 14.343 1.00 0.00 C ATOM 520 CG HIS A 359 -2.270 13.695 14.409 1.00 0.00 C ATOM 521 ND1 HIS A 359 -1.614 14.109 15.543 1.00 0.00 N ATOM 522 CD2 HIS A 359 -2.191 14.673 13.471 1.00 0.00 C ATOM 523 CE1 HIS A 359 -1.153 15.319 15.272 1.00 0.00 C ATOM 524 NE2 HIS A 359 -1.475 15.700 14.032 1.00 0.00 N ATOM 0 H HIS A 359 -4.342 10.345 14.207 1.00 0.00 H new ATOM 0 HA HIS A 359 -4.680 13.044 13.342 1.00 0.00 H new ATOM 0 HB2 HIS A 359 -3.343 12.104 15.319 1.00 0.00 H new ATOM 0 HB3 HIS A 359 -2.142 11.591 14.151 1.00 0.00 H new ATOM 0 HD1 HIS A 359 -1.505 13.590 16.414 1.00 0.00 H new ATOM 0 HD2 HIS A 359 -2.610 14.648 12.476 1.00 0.00 H new ATOM 0 HE1 HIS A 359 -0.587 15.923 15.966 1.00 0.00 H new ATOM 532 N MET A 360 -4.131 12.663 10.929 1.00 0.00 N ATOM 533 CA MET A 360 -3.698 12.706 9.547 1.00 0.00 C ATOM 534 C MET A 360 -3.012 14.032 9.223 1.00 0.00 C ATOM 535 O MET A 360 -3.554 15.109 9.481 1.00 0.00 O ATOM 536 CB MET A 360 -4.898 12.458 8.616 1.00 0.00 C ATOM 537 CG MET A 360 -4.802 13.125 7.247 1.00 0.00 C ATOM 538 SD MET A 360 -3.467 12.481 6.227 1.00 0.00 S ATOM 539 CE MET A 360 -4.117 10.878 5.808 1.00 0.00 C ATOM 0 H MET A 360 -5.049 13.079 11.088 1.00 0.00 H new ATOM 0 HA MET A 360 -2.964 11.916 9.387 1.00 0.00 H new ATOM 0 HB2 MET A 360 -5.011 11.383 8.473 1.00 0.00 H new ATOM 0 HB3 MET A 360 -5.802 12.810 9.112 1.00 0.00 H new ATOM 0 HG2 MET A 360 -5.747 12.993 6.720 1.00 0.00 H new ATOM 0 HG3 MET A 360 -4.660 14.197 7.383 1.00 0.00 H new ATOM 0 HE1 MET A 360 -3.385 10.111 6.060 1.00 0.00 H new ATOM 0 HE2 MET A 360 -5.036 10.700 6.367 1.00 0.00 H new ATOM 0 HE3 MET A 360 -4.329 10.839 4.740 1.00 0.00 H new ATOM 549 N VAL A 361 -1.819 13.942 8.672 1.00 0.00 N ATOM 550 CA VAL A 361 -1.074 15.115 8.279 1.00 0.00 C ATOM 551 C VAL A 361 -0.967 15.161 6.760 1.00 0.00 C ATOM 552 O VAL A 361 -0.629 14.155 6.121 1.00 0.00 O ATOM 553 CB VAL A 361 0.340 15.139 8.907 1.00 0.00 C ATOM 554 CG1 VAL A 361 1.069 16.432 8.557 1.00 0.00 C ATOM 555 CG2 VAL A 361 0.257 14.961 10.418 1.00 0.00 C ATOM 0 H VAL A 361 -1.343 13.059 8.486 1.00 0.00 H new ATOM 0 HA VAL A 361 -1.609 15.992 8.644 1.00 0.00 H new ATOM 0 HB VAL A 361 0.910 14.307 8.493 1.00 0.00 H new ATOM 0 HG11 VAL A 361 2.060 16.425 9.010 1.00 0.00 H new ATOM 0 HG12 VAL A 361 1.165 16.514 7.474 1.00 0.00 H new ATOM 0 HG13 VAL A 361 0.503 17.283 8.936 1.00 0.00 H new ATOM 0 HG21 VAL A 361 1.261 14.980 10.842 1.00 0.00 H new ATOM 0 HG22 VAL A 361 -0.334 15.770 10.848 1.00 0.00 H new ATOM 0 HG23 VAL A 361 -0.215 14.005 10.646 1.00 0.00 H new ATOM 565 N CYS A 362 -1.274 16.315 6.195 1.00 0.00 N ATOM 566 CA CYS A 362 -1.265 16.524 4.754 1.00 0.00 C ATOM 567 C CYS A 362 0.059 16.103 4.119 1.00 0.00 C ATOM 568 O CYS A 362 1.109 16.088 4.769 1.00 0.00 O ATOM 569 CB CYS A 362 -1.546 17.989 4.449 1.00 0.00 C ATOM 570 SG CYS A 362 -1.765 18.359 2.690 1.00 0.00 S ATOM 0 H CYS A 362 -1.540 17.143 6.727 1.00 0.00 H new ATOM 0 HA CYS A 362 -2.045 15.897 4.323 1.00 0.00 H new ATOM 0 HB2 CYS A 362 -2.444 18.293 4.986 1.00 0.00 H new ATOM 0 HB3 CYS A 362 -0.724 18.592 4.835 1.00 0.00 H new ATOM 575 N ARG A 363 -0.005 15.772 2.843 1.00 0.00 N ATOM 576 CA ARG A 363 1.165 15.330 2.098 1.00 0.00 C ATOM 577 C ARG A 363 1.742 16.502 1.336 1.00 0.00 C ATOM 578 O ARG A 363 2.922 16.516 0.978 1.00 0.00 O ATOM 579 CB ARG A 363 0.781 14.234 1.100 1.00 0.00 C ATOM 580 CG ARG A 363 -0.408 13.380 1.531 1.00 0.00 C ATOM 581 CD ARG A 363 -0.109 12.546 2.777 1.00 0.00 C ATOM 582 NE ARG A 363 0.723 11.376 2.472 1.00 0.00 N ATOM 583 CZ ARG A 363 1.364 10.639 3.389 1.00 0.00 C ATOM 584 NH1 ARG A 363 1.292 10.960 4.681 1.00 0.00 N1+ ATOM 585 NH2 ARG A 363 2.070 9.577 3.009 1.00 0.00 N ATOM 0 H ARG A 363 -0.864 15.801 2.293 1.00 0.00 H new ATOM 0 HA ARG A 363 1.899 14.934 2.800 1.00 0.00 H new ATOM 0 HB2 ARG A 363 0.552 14.697 0.140 1.00 0.00 H new ATOM 0 HB3 ARG A 363 1.642 13.584 0.943 1.00 0.00 H new ATOM 0 HG2 ARG A 363 -1.263 14.027 1.727 1.00 0.00 H new ATOM 0 HG3 ARG A 363 -0.690 12.717 0.713 1.00 0.00 H new ATOM 0 HD2 ARG A 363 0.397 13.167 3.516 1.00 0.00 H new ATOM 0 HD3 ARG A 363 -1.046 12.217 3.226 1.00 0.00 H new ATOM 0 HE ARG A 363 0.820 11.105 1.493 1.00 0.00 H new ATOM 0 HH11 ARG A 363 0.747 11.770 4.976 1.00 0.00 H new ATOM 0 HH12 ARG A 363 1.782 10.395 5.375 1.00 0.00 H new ATOM 0 HH21 ARG A 363 2.122 9.326 2.022 1.00 0.00 H new ATOM 0 HH22 ARG A 363 2.559 9.014 3.705 1.00 0.00 H new ATOM 599 N ASN A 364 0.892 17.485 1.077 1.00 0.00 N ATOM 600 CA ASN A 364 1.286 18.663 0.338 1.00 0.00 C ATOM 601 C ASN A 364 2.340 19.448 1.092 1.00 0.00 C ATOM 602 O ASN A 364 2.119 19.904 2.210 1.00 0.00 O ATOM 603 CB ASN A 364 0.064 19.536 0.030 1.00 0.00 C ATOM 604 CG ASN A 364 0.404 20.815 -0.707 1.00 0.00 C ATOM 605 OD1 ASN A 364 1.439 20.915 -1.374 1.00 0.00 O ATOM 606 ND2 ASN A 364 -0.478 21.787 -0.613 1.00 0.00 N ATOM 0 H ASN A 364 -0.084 17.484 1.374 1.00 0.00 H new ATOM 0 HA ASN A 364 1.724 18.344 -0.608 1.00 0.00 H new ATOM 0 HB2 ASN A 364 -0.643 18.960 -0.567 1.00 0.00 H new ATOM 0 HB3 ASN A 364 -0.438 19.787 0.964 1.00 0.00 H new ATOM 0 HD21 ASN A 364 -0.321 22.668 -1.103 1.00 0.00 H new ATOM 0 HD22 ASN A 364 -1.319 21.660 -0.050 1.00 0.00 H new ATOM 613 N GLN A 365 3.490 19.594 0.463 1.00 0.00 N ATOM 614 CA GLN A 365 4.627 20.319 1.033 1.00 0.00 C ATOM 615 C GLN A 365 4.324 21.811 1.186 1.00 0.00 C ATOM 616 O GLN A 365 5.054 22.540 1.847 1.00 0.00 O ATOM 617 CB GLN A 365 5.884 20.122 0.173 1.00 0.00 C ATOM 618 CG GLN A 365 5.616 20.150 -1.327 1.00 0.00 C ATOM 619 CD GLN A 365 5.405 18.762 -1.927 1.00 0.00 C ATOM 620 OE1 GLN A 365 4.988 17.804 -1.108 1.00 0.00 O flip ATOM 621 NE2 GLN A 365 5.642 18.549 -3.114 1.00 0.00 N flip ATOM 0 H GLN A 365 3.671 19.213 -0.466 1.00 0.00 H new ATOM 0 HA GLN A 365 4.810 19.908 2.026 1.00 0.00 H new ATOM 0 HB2 GLN A 365 6.606 20.901 0.418 1.00 0.00 H new ATOM 0 HB3 GLN A 365 6.344 19.168 0.432 1.00 0.00 H new ATOM 0 HG2 GLN A 365 4.734 20.760 -1.520 1.00 0.00 H new ATOM 0 HG3 GLN A 365 6.454 20.633 -1.830 1.00 0.00 H new ATOM 0 HE21 GLN A 365 5.961 19.309 -3.715 1.00 0.00 H new ATOM 0 HE22 GLN A 365 5.520 17.612 -3.498 1.00 0.00 H new ATOM 630 N ASN A 366 3.248 22.249 0.566 1.00 0.00 N ATOM 631 CA ASN A 366 2.814 23.637 0.659 1.00 0.00 C ATOM 632 C ASN A 366 1.669 23.750 1.656 1.00 0.00 C ATOM 633 O ASN A 366 0.955 24.755 1.701 1.00 0.00 O ATOM 634 CB ASN A 366 2.353 24.149 -0.715 1.00 0.00 C ATOM 635 CG ASN A 366 3.395 23.955 -1.800 1.00 0.00 C ATOM 636 OD1 ASN A 366 4.275 24.794 -1.988 1.00 0.00 O ATOM 637 ND2 ASN A 366 3.289 22.861 -2.535 1.00 0.00 N ATOM 0 H ASN A 366 2.650 21.661 -0.014 1.00 0.00 H new ATOM 0 HA ASN A 366 3.654 24.244 0.996 1.00 0.00 H new ATOM 0 HB2 ASN A 366 1.438 23.631 -1.001 1.00 0.00 H new ATOM 0 HB3 ASN A 366 2.109 25.209 -0.639 1.00 0.00 H new ATOM 0 HD21 ASN A 366 3.952 22.688 -3.291 1.00 0.00 H new ATOM 0 HD22 ASN A 366 2.544 22.190 -2.346 1.00 0.00 H new ATOM 644 N CYS A 367 1.498 22.708 2.459 1.00 0.00 N ATOM 645 CA CYS A 367 0.418 22.652 3.426 1.00 0.00 C ATOM 646 C CYS A 367 0.880 21.983 4.711 1.00 0.00 C ATOM 647 O CYS A 367 1.180 22.659 5.699 1.00 0.00 O ATOM 648 CB CYS A 367 -0.752 21.883 2.835 1.00 0.00 C ATOM 649 SG CYS A 367 -2.202 21.755 3.924 1.00 0.00 S ATOM 0 H CYS A 367 2.101 21.885 2.456 1.00 0.00 H new ATOM 0 HA CYS A 367 0.106 23.669 3.662 1.00 0.00 H new ATOM 0 HB2 CYS A 367 -1.054 22.365 1.905 1.00 0.00 H new ATOM 0 HB3 CYS A 367 -0.417 20.878 2.579 1.00 0.00 H new ATOM 654 N LYS A 368 0.955 20.644 4.678 1.00 0.00 N ATOM 655 CA LYS A 368 1.375 19.836 5.834 1.00 0.00 C ATOM 656 C LYS A 368 0.452 20.062 7.031 1.00 0.00 C ATOM 657 O LYS A 368 0.872 19.946 8.185 1.00 0.00 O ATOM 658 CB LYS A 368 2.818 20.169 6.199 1.00 0.00 C ATOM 659 CG LYS A 368 3.785 19.971 5.050 1.00 0.00 C ATOM 660 CD LYS A 368 4.954 20.942 5.111 1.00 0.00 C ATOM 661 CE LYS A 368 4.524 22.388 4.816 1.00 0.00 C ATOM 662 NZ LYS A 368 3.901 23.068 5.988 1.00 0.00 N1+ ATOM 0 H LYS A 368 0.727 20.091 3.852 1.00 0.00 H new ATOM 0 HA LYS A 368 1.310 18.783 5.561 1.00 0.00 H new ATOM 0 HB2 LYS A 368 2.871 21.204 6.536 1.00 0.00 H new ATOM 0 HB3 LYS A 368 3.127 19.545 7.037 1.00 0.00 H new ATOM 0 HG2 LYS A 368 4.163 18.949 5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 368 3.256 20.100 4.106 1.00 0.00 H new ATOM 0 HD2 LYS A 368 5.412 20.895 6.099 1.00 0.00 H new ATOM 0 HD3 LYS A 368 5.715 20.637 4.393 1.00 0.00 H new ATOM 0 HE2 LYS A 368 5.394 22.960 4.493 1.00 0.00 H new ATOM 0 HE3 LYS A 368 3.817 22.388 3.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 368 4.162 24.075 5.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 368 2.866 22.978 5.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 368 4.240 22.626 6.866 1.00 0.00 H new ATOM 676 N ALA A 369 -0.806 20.366 6.744 1.00 0.00 N ATOM 677 CA ALA A 369 -1.795 20.615 7.780 1.00 0.00 C ATOM 678 C ALA A 369 -2.102 19.353 8.573 1.00 0.00 C ATOM 679 O ALA A 369 -2.154 18.257 8.020 1.00 0.00 O ATOM 680 CB ALA A 369 -3.063 21.180 7.169 1.00 0.00 C ATOM 0 H ALA A 369 -1.167 20.446 5.793 1.00 0.00 H new ATOM 0 HA ALA A 369 -1.379 21.347 8.472 1.00 0.00 H new ATOM 0 HB1 ALA A 369 -3.796 21.362 7.955 1.00 0.00 H new ATOM 0 HB2 ALA A 369 -2.836 22.117 6.661 1.00 0.00 H new ATOM 0 HB3 ALA A 369 -3.470 20.467 6.452 1.00 0.00 H new ATOM 686 N GLU A 370 -2.304 19.518 9.863 1.00 0.00 N ATOM 687 CA GLU A 370 -2.609 18.403 10.736 1.00 0.00 C ATOM 688 C GLU A 370 -4.084 18.423 11.092 1.00 0.00 C ATOM 689 O GLU A 370 -4.524 19.225 11.922 1.00 0.00 O ATOM 690 CB GLU A 370 -1.758 18.474 11.995 1.00 0.00 C ATOM 691 CG GLU A 370 -0.270 18.550 11.715 1.00 0.00 C ATOM 692 CD GLU A 370 0.554 18.699 12.968 1.00 0.00 C ATOM 693 OE1 GLU A 370 0.555 19.795 13.554 1.00 0.00 O ATOM 694 OE2 GLU A 370 1.222 17.717 13.365 1.00 0.00 O1- ATOM 0 H GLU A 370 -2.262 20.422 10.334 1.00 0.00 H new ATOM 0 HA GLU A 370 -2.382 17.470 10.219 1.00 0.00 H new ATOM 0 HB2 GLU A 370 -2.055 19.347 12.576 1.00 0.00 H new ATOM 0 HB3 GLU A 370 -1.960 17.597 12.610 1.00 0.00 H new ATOM 0 HG2 GLU A 370 0.042 17.650 11.186 1.00 0.00 H new ATOM 0 HG3 GLU A 370 -0.072 19.393 11.053 1.00 0.00 H new ATOM 701 N PHE A 371 -4.840 17.551 10.469 1.00 0.00 N ATOM 702 CA PHE A 371 -6.276 17.516 10.665 1.00 0.00 C ATOM 703 C PHE A 371 -6.760 16.116 10.985 1.00 0.00 C ATOM 704 O PHE A 371 -6.014 15.136 10.868 1.00 0.00 O ATOM 705 CB PHE A 371 -7.006 18.054 9.416 1.00 0.00 C ATOM 706 CG PHE A 371 -6.576 17.416 8.119 1.00 0.00 C ATOM 707 CD1 PHE A 371 -5.499 17.918 7.409 1.00 0.00 C ATOM 708 CD2 PHE A 371 -7.251 16.316 7.613 1.00 0.00 C ATOM 709 CE1 PHE A 371 -5.100 17.338 6.223 1.00 0.00 C ATOM 710 CE2 PHE A 371 -6.856 15.733 6.426 1.00 0.00 C ATOM 711 CZ PHE A 371 -5.779 16.244 5.730 1.00 0.00 C ATOM 0 H PHE A 371 -4.485 16.851 9.818 1.00 0.00 H new ATOM 0 HA PHE A 371 -6.506 18.156 11.517 1.00 0.00 H new ATOM 0 HB2 PHE A 371 -8.078 17.902 9.543 1.00 0.00 H new ATOM 0 HB3 PHE A 371 -6.842 19.130 9.350 1.00 0.00 H new ATOM 0 HD1 PHE A 371 -4.964 18.776 7.789 1.00 0.00 H new ATOM 0 HD2 PHE A 371 -8.094 15.911 8.153 1.00 0.00 H new ATOM 0 HE1 PHE A 371 -4.257 17.740 5.681 1.00 0.00 H new ATOM 0 HE2 PHE A 371 -7.390 14.877 6.041 1.00 0.00 H new ATOM 0 HZ PHE A 371 -5.469 15.788 4.801 1.00 0.00 H new ATOM 721 N CYS A 372 -8.002 16.025 11.397 1.00 0.00 N ATOM 722 CA CYS A 372 -8.612 14.756 11.669 1.00 0.00 C ATOM 723 C CYS A 372 -9.123 14.180 10.382 1.00 0.00 C ATOM 724 O CYS A 372 -10.071 14.687 9.819 1.00 0.00 O ATOM 725 CB CYS A 372 -9.763 14.913 12.658 1.00 0.00 C ATOM 726 SG CYS A 372 -10.613 13.349 13.073 1.00 0.00 S ATOM 0 H CYS A 372 -8.612 16.828 11.551 1.00 0.00 H new ATOM 0 HA CYS A 372 -7.872 14.089 12.111 1.00 0.00 H new ATOM 0 HB2 CYS A 372 -9.380 15.360 13.576 1.00 0.00 H new ATOM 0 HB3 CYS A 372 -10.491 15.610 12.243 1.00 0.00 H new ATOM 731 N TRP A 373 -8.477 13.140 9.909 1.00 0.00 N ATOM 732 CA TRP A 373 -8.881 12.480 8.676 1.00 0.00 C ATOM 733 C TRP A 373 -10.355 12.094 8.694 1.00 0.00 C ATOM 734 O TRP A 373 -11.050 12.245 7.690 1.00 0.00 O ATOM 735 CB TRP A 373 -8.011 11.239 8.449 1.00 0.00 C ATOM 736 CG TRP A 373 -8.635 10.185 7.577 1.00 0.00 C ATOM 737 CD1 TRP A 373 -9.513 9.227 7.973 1.00 0.00 C ATOM 738 CD2 TRP A 373 -8.420 9.976 6.180 1.00 0.00 C ATOM 739 NE1 TRP A 373 -9.854 8.431 6.917 1.00 0.00 N ATOM 740 CE2 TRP A 373 -9.199 8.866 5.804 1.00 0.00 C ATOM 741 CE3 TRP A 373 -7.650 10.614 5.214 1.00 0.00 C ATOM 742 CZ2 TRP A 373 -9.226 8.381 4.506 1.00 0.00 C ATOM 743 CZ3 TRP A 373 -7.678 10.129 3.920 1.00 0.00 C ATOM 744 CH2 TRP A 373 -8.460 9.025 3.579 1.00 0.00 C ATOM 0 H TRP A 373 -7.661 12.725 10.360 1.00 0.00 H new ATOM 0 HA TRP A 373 -8.740 13.184 7.856 1.00 0.00 H new ATOM 0 HB2 TRP A 373 -7.068 11.550 8.000 1.00 0.00 H new ATOM 0 HB3 TRP A 373 -7.773 10.797 9.416 1.00 0.00 H new ATOM 0 HD1 TRP A 373 -9.888 9.111 8.979 1.00 0.00 H new ATOM 0 HE1 TRP A 373 -10.495 7.639 6.955 1.00 0.00 H new ATOM 0 HE3 TRP A 373 -7.043 11.470 5.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 373 -9.830 7.526 4.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 373 -7.084 10.613 3.159 1.00 0.00 H new ATOM 0 HH2 TRP A 373 -8.459 8.672 2.558 1.00 0.00 H new ATOM 755 N VAL A 374 -10.823 11.612 9.838 1.00 0.00 N ATOM 756 CA VAL A 374 -12.187 11.105 9.969 1.00 0.00 C ATOM 757 C VAL A 374 -13.240 12.124 9.538 1.00 0.00 C ATOM 758 O VAL A 374 -14.007 11.874 8.605 1.00 0.00 O ATOM 759 CB VAL A 374 -12.468 10.637 11.408 1.00 0.00 C ATOM 760 CG1 VAL A 374 -13.880 10.074 11.534 1.00 0.00 C ATOM 761 CG2 VAL A 374 -11.442 9.600 11.815 1.00 0.00 C ATOM 0 H VAL A 374 -10.274 11.561 10.696 1.00 0.00 H new ATOM 0 HA VAL A 374 -12.261 10.253 9.293 1.00 0.00 H new ATOM 0 HB VAL A 374 -12.393 11.495 12.076 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -14.053 9.751 12.561 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -14.604 10.845 11.270 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -13.994 9.224 10.862 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -11.643 9.270 12.834 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -11.499 8.747 11.139 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -10.444 10.036 11.765 1.00 0.00 H new ATOM 771 N CYS A 375 -13.262 13.270 10.193 1.00 0.00 N ATOM 772 CA CYS A 375 -14.246 14.293 9.877 1.00 0.00 C ATOM 773 C CYS A 375 -13.651 15.387 9.003 1.00 0.00 C ATOM 774 O CYS A 375 -14.334 16.361 8.663 1.00 0.00 O ATOM 775 CB CYS A 375 -14.822 14.890 11.163 1.00 0.00 C ATOM 776 SG CYS A 375 -13.573 15.406 12.385 1.00 0.00 S ATOM 0 H CYS A 375 -12.615 13.517 10.942 1.00 0.00 H new ATOM 0 HA CYS A 375 -15.051 13.821 9.314 1.00 0.00 H new ATOM 0 HB2 CYS A 375 -15.436 15.752 10.904 1.00 0.00 H new ATOM 0 HB3 CYS A 375 -15.482 14.156 11.625 1.00 0.00 H new ATOM 781 N LEU A 376 -12.380 15.220 8.639 1.00 0.00 N ATOM 782 CA LEU A 376 -11.653 16.208 7.831 1.00 0.00 C ATOM 783 C LEU A 376 -11.712 17.588 8.478 1.00 0.00 C ATOM 784 O LEU A 376 -11.758 18.610 7.794 1.00 0.00 O ATOM 785 CB LEU A 376 -12.192 16.252 6.391 1.00 0.00 C ATOM 786 CG LEU A 376 -11.843 15.055 5.505 1.00 0.00 C ATOM 787 CD1 LEU A 376 -12.485 15.206 4.136 1.00 0.00 C ATOM 788 CD2 LEU A 376 -10.333 14.909 5.371 1.00 0.00 C ATOM 0 H LEU A 376 -11.825 14.403 8.892 1.00 0.00 H new ATOM 0 HA LEU A 376 -10.608 15.900 7.786 1.00 0.00 H new ATOM 0 HB2 LEU A 376 -13.277 16.342 6.434 1.00 0.00 H new ATOM 0 HB3 LEU A 376 -11.815 17.155 5.911 1.00 0.00 H new ATOM 0 HG LEU A 376 -12.234 14.153 5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 376 -12.228 14.347 3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 376 -13.568 15.263 4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 376 -12.121 16.117 3.662 1.00 0.00 H new ATOM 0 HD21 LEU A 376 -10.105 14.052 4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 376 -9.918 15.812 4.923 1.00 0.00 H new ATOM 0 HD23 LEU A 376 -9.893 14.758 6.357 1.00 0.00 H new ATOM 800 N GLY A 377 -11.694 17.607 9.799 1.00 0.00 N ATOM 801 CA GLY A 377 -11.755 18.851 10.523 1.00 0.00 C ATOM 802 C GLY A 377 -10.506 19.098 11.332 1.00 0.00 C ATOM 803 O GLY A 377 -9.534 18.359 11.207 1.00 0.00 O ATOM 0 H GLY A 377 -11.638 16.774 10.385 1.00 0.00 H new ATOM 0 HA2 GLY A 377 -11.900 19.672 9.821 1.00 0.00 H new ATOM 0 HA3 GLY A 377 -12.620 18.842 11.186 1.00 0.00 H new ATOM 807 N PRO A 378 -10.506 20.126 12.182 1.00 0.00 N ATOM 808 CA PRO A 378 -9.350 20.466 13.011 1.00 0.00 C ATOM 809 C PRO A 378 -9.059 19.377 14.042 1.00 0.00 C ATOM 810 O PRO A 378 -9.968 18.865 14.691 1.00 0.00 O ATOM 811 CB PRO A 378 -9.769 21.769 13.702 1.00 0.00 C ATOM 812 CG PRO A 378 -11.258 21.767 13.655 1.00 0.00 C ATOM 813 CD PRO A 378 -11.641 21.026 12.409 1.00 0.00 C ATOM 0 HA PRO A 378 -8.436 20.566 12.426 1.00 0.00 H new ATOM 0 HB2 PRO A 378 -9.406 21.806 14.729 1.00 0.00 H new ATOM 0 HB3 PRO A 378 -9.359 22.638 13.188 1.00 0.00 H new ATOM 0 HG2 PRO A 378 -11.674 21.282 14.538 1.00 0.00 H new ATOM 0 HG3 PRO A 378 -11.647 22.785 13.637 1.00 0.00 H new ATOM 0 HD2 PRO A 378 -12.571 20.473 12.541 1.00 0.00 H new ATOM 0 HD3 PRO A 378 -11.790 21.704 11.569 1.00 0.00 H new ATOM 821 N TRP A 379 -7.796 19.038 14.186 1.00 0.00 N ATOM 822 CA TRP A 379 -7.374 17.993 15.104 1.00 0.00 C ATOM 823 C TRP A 379 -7.405 18.467 16.567 1.00 0.00 C ATOM 824 O TRP A 379 -7.591 17.660 17.478 1.00 0.00 O ATOM 825 CB TRP A 379 -5.968 17.504 14.729 1.00 0.00 C ATOM 826 CG TRP A 379 -5.419 16.494 15.679 1.00 0.00 C ATOM 827 CD1 TRP A 379 -4.447 16.694 16.609 1.00 0.00 C ATOM 828 CD2 TRP A 379 -5.825 15.130 15.808 1.00 0.00 C ATOM 829 NE1 TRP A 379 -4.218 15.539 17.304 1.00 0.00 N ATOM 830 CE2 TRP A 379 -5.050 14.562 16.833 1.00 0.00 C ATOM 831 CE3 TRP A 379 -6.767 14.335 15.155 1.00 0.00 C ATOM 832 CZ2 TRP A 379 -5.188 13.233 17.222 1.00 0.00 C ATOM 833 CZ3 TRP A 379 -6.903 13.018 15.541 1.00 0.00 C ATOM 834 CH2 TRP A 379 -6.118 12.479 16.566 1.00 0.00 C ATOM 0 H TRP A 379 -7.031 19.476 13.673 1.00 0.00 H new ATOM 0 HA TRP A 379 -8.080 17.167 15.016 1.00 0.00 H new ATOM 0 HB2 TRP A 379 -5.996 17.073 13.728 1.00 0.00 H new ATOM 0 HB3 TRP A 379 -5.293 18.359 14.689 1.00 0.00 H new ATOM 0 HD1 TRP A 379 -3.931 17.628 16.774 1.00 0.00 H new ATOM 0 HE1 TRP A 379 -3.536 15.425 18.054 1.00 0.00 H new ATOM 0 HE3 TRP A 379 -7.378 14.743 14.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 379 -4.583 12.814 18.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 379 -7.628 12.392 15.043 1.00 0.00 H new ATOM 0 HH2 TRP A 379 -6.251 11.444 16.844 1.00 0.00 H new ATOM 845 N GLU A 380 -7.240 19.767 16.774 1.00 0.00 N ATOM 846 CA GLU A 380 -7.202 20.344 18.130 1.00 0.00 C ATOM 847 C GLU A 380 -8.388 19.907 19.035 1.00 0.00 C ATOM 848 O GLU A 380 -8.164 19.427 20.148 1.00 0.00 O ATOM 849 CB GLU A 380 -7.095 21.870 18.075 1.00 0.00 C ATOM 850 CG GLU A 380 -5.740 22.371 17.605 1.00 0.00 C ATOM 851 CD GLU A 380 -4.618 21.964 18.536 1.00 0.00 C ATOM 852 OE1 GLU A 380 -4.087 20.847 18.383 1.00 0.00 O1- ATOM 853 OE2 GLU A 380 -4.259 22.767 19.433 1.00 0.00 O ATOM 0 H GLU A 380 -7.129 20.451 16.025 1.00 0.00 H new ATOM 0 HA GLU A 380 -6.304 19.939 18.597 1.00 0.00 H new ATOM 0 HB2 GLU A 380 -7.866 22.256 17.408 1.00 0.00 H new ATOM 0 HB3 GLU A 380 -7.299 22.276 19.066 1.00 0.00 H new ATOM 0 HG2 GLU A 380 -5.539 21.983 16.607 1.00 0.00 H new ATOM 0 HG3 GLU A 380 -5.766 23.458 17.525 1.00 0.00 H new ATOM 860 N PRO A 381 -9.663 20.062 18.589 1.00 0.00 N ATOM 861 CA PRO A 381 -10.836 19.679 19.405 1.00 0.00 C ATOM 862 C PRO A 381 -11.044 18.153 19.525 1.00 0.00 C ATOM 863 O PRO A 381 -12.142 17.699 19.829 1.00 0.00 O ATOM 864 CB PRO A 381 -12.004 20.305 18.637 1.00 0.00 C ATOM 865 CG PRO A 381 -11.541 20.342 17.228 1.00 0.00 C ATOM 866 CD PRO A 381 -10.071 20.643 17.290 1.00 0.00 C ATOM 0 HA PRO A 381 -10.726 20.017 20.435 1.00 0.00 H new ATOM 0 HB2 PRO A 381 -12.912 19.711 18.741 1.00 0.00 H new ATOM 0 HB3 PRO A 381 -12.232 21.305 19.007 1.00 0.00 H new ATOM 0 HG2 PRO A 381 -11.725 19.390 16.731 1.00 0.00 H new ATOM 0 HG3 PRO A 381 -12.073 21.106 16.661 1.00 0.00 H new ATOM 0 HD2 PRO A 381 -9.531 20.190 16.459 1.00 0.00 H new ATOM 0 HD3 PRO A 381 -9.877 21.715 17.249 1.00 0.00 H new ATOM 874 N HIS A 382 -9.994 17.370 19.307 1.00 0.00 N ATOM 875 CA HIS A 382 -10.111 15.914 19.391 1.00 0.00 C ATOM 876 C HIS A 382 -9.493 15.357 20.662 1.00 0.00 C ATOM 877 O HIS A 382 -9.465 14.141 20.869 1.00 0.00 O ATOM 878 CB HIS A 382 -9.527 15.243 18.153 1.00 0.00 C ATOM 879 CG HIS A 382 -10.419 15.367 16.961 1.00 0.00 C ATOM 880 ND1 HIS A 382 -10.500 16.491 16.175 1.00 0.00 N ATOM 881 CD2 HIS A 382 -11.312 14.490 16.453 1.00 0.00 C ATOM 882 CE1 HIS A 382 -11.426 16.273 15.237 1.00 0.00 C ATOM 883 NE2 HIS A 382 -11.952 15.070 15.361 1.00 0.00 N ATOM 0 H HIS A 382 -9.061 17.711 19.073 1.00 0.00 H new ATOM 0 HA HIS A 382 -11.176 15.684 19.431 1.00 0.00 H new ATOM 0 HB2 HIS A 382 -8.558 15.688 17.926 1.00 0.00 H new ATOM 0 HB3 HIS A 382 -9.352 14.188 18.364 1.00 0.00 H new ATOM 0 HD1 HIS A 382 -9.950 17.342 16.288 1.00 0.00 H new ATOM 0 HD2 HIS A 382 -11.500 13.497 16.833 1.00 0.00 H new ATOM 0 HE1 HIS A 382 -11.707 16.988 14.477 1.00 0.00 H new ATOM 891 N GLY A 383 -8.993 16.239 21.508 1.00 0.00 N ATOM 892 CA GLY A 383 -8.464 15.811 22.783 1.00 0.00 C ATOM 893 C GLY A 383 -9.568 15.715 23.819 1.00 0.00 C ATOM 894 O GLY A 383 -10.494 14.911 23.678 1.00 0.00 O ATOM 0 H GLY A 383 -8.944 17.243 21.336 1.00 0.00 H new ATOM 0 HA2 GLY A 383 -7.977 14.842 22.673 1.00 0.00 H new ATOM 0 HA3 GLY A 383 -7.702 16.514 23.120 1.00 0.00 H new ATOM 898 N SER A 384 -9.487 16.530 24.844 1.00 0.00 N ATOM 899 CA SER A 384 -10.518 16.569 25.855 1.00 0.00 C ATOM 900 C SER A 384 -11.306 17.864 25.735 1.00 0.00 C ATOM 901 O SER A 384 -10.938 18.887 26.316 1.00 0.00 O ATOM 902 CB SER A 384 -9.912 16.433 27.249 1.00 0.00 C ATOM 903 OG SER A 384 -9.201 15.213 27.366 1.00 0.00 O ATOM 0 H SER A 384 -8.715 17.178 25.000 1.00 0.00 H new ATOM 0 HA SER A 384 -11.195 15.729 25.701 1.00 0.00 H new ATOM 0 HB2 SER A 384 -9.242 17.271 27.444 1.00 0.00 H new ATOM 0 HB3 SER A 384 -10.701 16.474 28.000 1.00 0.00 H new ATOM 0 HG SER A 384 -8.818 15.143 28.265 1.00 0.00 H new ATOM 909 N ALA A 385 -12.364 17.821 24.946 1.00 0.00 N ATOM 910 CA ALA A 385 -13.186 18.988 24.711 1.00 0.00 C ATOM 911 C ALA A 385 -14.638 18.595 24.486 1.00 0.00 C ATOM 912 O ALA A 385 -15.008 17.427 24.631 1.00 0.00 O ATOM 913 CB ALA A 385 -12.657 19.771 23.513 1.00 0.00 C ATOM 0 H ALA A 385 -12.674 16.982 24.455 1.00 0.00 H new ATOM 0 HA ALA A 385 -13.140 19.622 25.596 1.00 0.00 H new ATOM 0 HB1 ALA A 385 -13.283 20.647 23.346 1.00 0.00 H new ATOM 0 HB2 ALA A 385 -11.633 20.089 23.710 1.00 0.00 H new ATOM 0 HB3 ALA A 385 -12.676 19.137 22.627 1.00 0.00 H new ATOM 919 N TRP A 386 -15.453 19.582 24.150 1.00 0.00 N ATOM 920 CA TRP A 386 -16.881 19.387 23.882 1.00 0.00 C ATOM 921 C TRP A 386 -17.086 18.580 22.603 1.00 0.00 C ATOM 922 O TRP A 386 -18.092 17.895 22.431 1.00 0.00 O ATOM 923 CB TRP A 386 -17.559 20.758 23.717 1.00 0.00 C ATOM 924 CG TRP A 386 -17.097 21.502 22.482 1.00 0.00 C ATOM 925 CD1 TRP A 386 -15.928 22.190 22.321 1.00 0.00 C ATOM 926 CD2 TRP A 386 -17.794 21.607 21.231 1.00 0.00 C ATOM 927 NE1 TRP A 386 -15.857 22.716 21.058 1.00 0.00 N ATOM 928 CE2 TRP A 386 -16.989 22.377 20.369 1.00 0.00 C ATOM 929 CE3 TRP A 386 -19.016 21.127 20.758 1.00 0.00 C ATOM 930 CZ2 TRP A 386 -17.366 22.675 19.065 1.00 0.00 C ATOM 931 CZ3 TRP A 386 -19.391 21.425 19.463 1.00 0.00 C ATOM 932 CH2 TRP A 386 -18.568 22.193 18.629 1.00 0.00 C ATOM 0 H TRP A 386 -15.147 20.550 24.053 1.00 0.00 H new ATOM 0 HA TRP A 386 -17.319 18.843 24.719 1.00 0.00 H new ATOM 0 HB2 TRP A 386 -18.639 20.619 23.668 1.00 0.00 H new ATOM 0 HB3 TRP A 386 -17.355 21.366 24.598 1.00 0.00 H new ATOM 0 HD1 TRP A 386 -15.169 22.303 23.080 1.00 0.00 H new ATOM 0 HE1 TRP A 386 -15.084 23.271 20.691 1.00 0.00 H new ATOM 0 HE3 TRP A 386 -19.657 20.533 21.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 386 -16.732 23.266 18.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 386 -20.335 21.060 19.087 1.00 0.00 H new ATOM 0 HH2 TRP A 386 -18.890 22.408 17.621 1.00 0.00 H new ATOM 943 N TYR A 387 -16.121 18.681 21.720 1.00 0.00 N ATOM 944 CA TYR A 387 -16.184 18.074 20.418 1.00 0.00 C ATOM 945 C TYR A 387 -15.813 16.599 20.486 1.00 0.00 C ATOM 946 O TYR A 387 -14.738 16.244 20.965 1.00 0.00 O ATOM 947 CB TYR A 387 -15.237 18.823 19.488 1.00 0.00 C ATOM 948 CG TYR A 387 -15.390 18.497 18.018 1.00 0.00 C ATOM 949 CD1 TYR A 387 -16.396 19.080 17.258 1.00 0.00 C ATOM 950 CD2 TYR A 387 -14.518 17.620 17.387 1.00 0.00 C ATOM 951 CE1 TYR A 387 -16.525 18.797 15.912 1.00 0.00 C ATOM 952 CE2 TYR A 387 -14.643 17.331 16.044 1.00 0.00 C ATOM 953 CZ TYR A 387 -15.647 17.922 15.310 1.00 0.00 C ATOM 954 OH TYR A 387 -15.767 17.648 13.966 1.00 0.00 O ATOM 0 H TYR A 387 -15.258 19.196 21.892 1.00 0.00 H new ATOM 0 HA TYR A 387 -17.203 18.136 20.037 1.00 0.00 H new ATOM 0 HB2 TYR A 387 -15.390 19.894 19.625 1.00 0.00 H new ATOM 0 HB3 TYR A 387 -14.212 18.606 19.788 1.00 0.00 H new ATOM 0 HD1 TYR A 387 -17.088 19.765 17.726 1.00 0.00 H new ATOM 0 HD2 TYR A 387 -13.728 17.156 17.958 1.00 0.00 H new ATOM 0 HE1 TYR A 387 -17.311 19.260 15.334 1.00 0.00 H new ATOM 0 HE2 TYR A 387 -13.957 16.645 15.571 1.00 0.00 H new ATOM 0 HH TYR A 387 -15.070 17.013 13.698 1.00 0.00 H new ATOM 964 N ASN A 388 -16.708 15.750 20.020 1.00 0.00 N ATOM 965 CA ASN A 388 -16.461 14.316 20.007 1.00 0.00 C ATOM 966 C ASN A 388 -16.560 13.783 18.589 1.00 0.00 C ATOM 967 O ASN A 388 -17.567 13.992 17.907 1.00 0.00 O ATOM 968 CB ASN A 388 -17.456 13.584 20.917 1.00 0.00 C ATOM 969 CG ASN A 388 -17.122 12.109 21.080 1.00 0.00 C ATOM 970 OD1 ASN A 388 -16.346 11.736 21.953 1.00 0.00 O ATOM 971 ND2 ASN A 388 -17.714 11.263 20.255 1.00 0.00 N ATOM 0 H ASN A 388 -17.615 16.026 19.644 1.00 0.00 H new ATOM 0 HA ASN A 388 -15.455 14.137 20.385 1.00 0.00 H new ATOM 0 HB2 ASN A 388 -17.466 14.061 21.897 1.00 0.00 H new ATOM 0 HB3 ASN A 388 -18.460 13.682 20.505 1.00 0.00 H new ATOM 0 HD21 ASN A 388 -17.531 10.263 20.333 1.00 0.00 H new ATOM 0 HD22 ASN A 388 -18.354 11.611 19.541 1.00 0.00 H new ATOM 978 N CYS A 389 -15.519 13.108 18.144 1.00 0.00 N ATOM 979 CA CYS A 389 -15.489 12.570 16.799 1.00 0.00 C ATOM 980 C CYS A 389 -16.025 11.151 16.784 1.00 0.00 C ATOM 981 O CYS A 389 -15.767 10.366 17.695 1.00 0.00 O ATOM 982 CB CYS A 389 -14.064 12.601 16.246 1.00 0.00 C ATOM 983 SG CYS A 389 -13.942 12.339 14.447 1.00 0.00 S ATOM 0 H CYS A 389 -14.682 12.919 18.695 1.00 0.00 H new ATOM 0 HA CYS A 389 -16.124 13.189 16.165 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -13.614 13.563 16.491 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -13.475 11.836 16.752 1.00 0.00 H new ATOM 988 N ASN A 390 -16.744 10.821 15.738 1.00 0.00 N ATOM 989 CA ASN A 390 -17.334 9.500 15.584 1.00 0.00 C ATOM 990 C ASN A 390 -16.334 8.538 14.958 1.00 0.00 C ATOM 991 O ASN A 390 -16.707 7.617 14.245 1.00 0.00 O ATOM 992 CB ASN A 390 -18.591 9.577 14.711 1.00 0.00 C ATOM 993 CG ASN A 390 -19.687 10.421 15.328 1.00 0.00 C ATOM 994 OD1 ASN A 390 -20.501 9.929 16.110 1.00 0.00 O ATOM 995 ND2 ASN A 390 -19.726 11.694 14.975 1.00 0.00 N ATOM 0 H ASN A 390 -16.940 11.457 14.965 1.00 0.00 H new ATOM 0 HA ASN A 390 -17.608 9.131 16.573 1.00 0.00 H new ATOM 0 HB2 ASN A 390 -18.326 9.990 13.737 1.00 0.00 H new ATOM 0 HB3 ASN A 390 -18.969 8.569 14.538 1.00 0.00 H new ATOM 0 HD21 ASN A 390 -20.449 12.306 15.353 1.00 0.00 H new ATOM 0 HD22 ASN A 390 -19.033 12.064 14.324 1.00 0.00 H new ATOM 1002 N ARG A 391 -15.062 8.741 15.261 1.00 0.00 N ATOM 1003 CA ARG A 391 -14.000 7.911 14.709 1.00 0.00 C ATOM 1004 C ARG A 391 -14.053 6.483 15.249 1.00 0.00 C ATOM 1005 O ARG A 391 -13.519 5.560 14.644 1.00 0.00 O ATOM 1006 CB ARG A 391 -12.621 8.563 14.952 1.00 0.00 C ATOM 1007 CG ARG A 391 -12.240 8.794 16.416 1.00 0.00 C ATOM 1008 CD ARG A 391 -11.656 7.546 17.066 1.00 0.00 C ATOM 1009 NE ARG A 391 -10.499 7.027 16.328 1.00 0.00 N ATOM 1010 CZ ARG A 391 -9.419 6.480 16.894 1.00 0.00 C ATOM 1011 NH1 ARG A 391 -9.297 6.448 18.214 1.00 0.00 N1+ ATOM 1012 NH2 ARG A 391 -8.452 5.985 16.132 1.00 0.00 N ATOM 0 H ARG A 391 -14.737 9.476 15.889 1.00 0.00 H new ATOM 0 HA ARG A 391 -14.156 7.842 13.632 1.00 0.00 H new ATOM 0 HB2 ARG A 391 -11.858 7.935 14.493 1.00 0.00 H new ATOM 0 HB3 ARG A 391 -12.598 9.522 14.435 1.00 0.00 H new ATOM 0 HG2 ARG A 391 -11.515 9.606 16.477 1.00 0.00 H new ATOM 0 HG3 ARG A 391 -13.122 9.112 16.973 1.00 0.00 H new ATOM 0 HD2 ARG A 391 -11.359 7.776 18.089 1.00 0.00 H new ATOM 0 HD3 ARG A 391 -12.424 6.775 17.123 1.00 0.00 H new ATOM 0 HE ARG A 391 -10.520 7.088 15.310 1.00 0.00 H new ATOM 0 HH11 ARG A 391 -10.030 6.842 18.804 1.00 0.00 H new ATOM 0 HH12 ARG A 391 -8.470 6.029 18.640 1.00 0.00 H new ATOM 0 HH21 ARG A 391 -8.534 6.022 15.116 1.00 0.00 H new ATOM 0 HH22 ARG A 391 -7.627 5.567 16.562 1.00 0.00 H new ATOM 1026 N TYR A 392 -14.700 6.315 16.381 1.00 0.00 N ATOM 1027 CA TYR A 392 -14.841 5.004 16.999 1.00 0.00 C ATOM 1028 C TYR A 392 -16.300 4.572 16.998 1.00 0.00 C ATOM 1029 O TYR A 392 -16.620 3.404 17.212 1.00 0.00 O ATOM 1030 CB TYR A 392 -14.314 5.043 18.434 1.00 0.00 C ATOM 1031 CG TYR A 392 -15.061 6.009 19.332 1.00 0.00 C ATOM 1032 CD1 TYR A 392 -14.781 7.370 19.308 1.00 0.00 C ATOM 1033 CD2 TYR A 392 -16.046 5.559 20.198 1.00 0.00 C ATOM 1034 CE1 TYR A 392 -15.463 8.252 20.124 1.00 0.00 C ATOM 1035 CE2 TYR A 392 -16.730 6.432 21.016 1.00 0.00 C ATOM 1036 CZ TYR A 392 -16.435 7.776 20.975 1.00 0.00 C ATOM 1037 OH TYR A 392 -17.118 8.646 21.790 1.00 0.00 O ATOM 0 H TYR A 392 -15.142 7.073 16.900 1.00 0.00 H new ATOM 0 HA TYR A 392 -14.260 4.284 16.423 1.00 0.00 H new ATOM 0 HB2 TYR A 392 -14.375 4.042 18.861 1.00 0.00 H new ATOM 0 HB3 TYR A 392 -13.259 5.318 18.417 1.00 0.00 H new ATOM 0 HD1 TYR A 392 -14.018 7.744 18.641 1.00 0.00 H new ATOM 0 HD2 TYR A 392 -16.281 4.506 20.232 1.00 0.00 H new ATOM 0 HE1 TYR A 392 -15.235 9.307 20.095 1.00 0.00 H new ATOM 0 HE2 TYR A 392 -17.493 6.064 21.686 1.00 0.00 H new ATOM 0 HH TYR A 392 -16.604 9.475 21.888 1.00 0.00 H new ATOM 1047 N ASN A 393 -17.174 5.524 16.756 1.00 0.00 N ATOM 1048 CA ASN A 393 -18.603 5.272 16.760 1.00 0.00 C ATOM 1049 C ASN A 393 -19.153 5.335 15.350 1.00 0.00 C ATOM 1050 O ASN A 393 -19.215 6.409 14.752 1.00 0.00 O ATOM 1051 CB ASN A 393 -19.324 6.298 17.645 1.00 0.00 C ATOM 1052 CG ASN A 393 -20.832 6.093 17.677 1.00 0.00 C ATOM 1053 OD1 ASN A 393 -21.325 4.972 17.565 1.00 0.00 O ATOM 1054 ND2 ASN A 393 -21.572 7.175 17.834 1.00 0.00 N ATOM 0 H ASN A 393 -16.919 6.490 16.552 1.00 0.00 H new ATOM 0 HA ASN A 393 -18.775 4.274 17.163 1.00 0.00 H new ATOM 0 HB2 ASN A 393 -18.932 6.235 18.660 1.00 0.00 H new ATOM 0 HB3 ASN A 393 -19.106 7.302 17.281 1.00 0.00 H new ATOM 0 HD21 ASN A 393 -22.589 7.097 17.866 1.00 0.00 H new ATOM 0 HD22 ASN A 393 -21.127 8.089 17.924 1.00 0.00 H new ATOM 1061 N GLU A 394 -19.540 4.192 14.817 1.00 0.00 N ATOM 1062 CA GLU A 394 -20.099 4.145 13.481 1.00 0.00 C ATOM 1063 C GLU A 394 -21.452 4.827 13.454 1.00 0.00 C ATOM 1064 O GLU A 394 -22.209 4.768 14.426 1.00 0.00 O ATOM 1065 CB GLU A 394 -20.230 2.710 12.992 1.00 0.00 C ATOM 1066 CG GLU A 394 -18.904 1.994 12.830 1.00 0.00 C ATOM 1067 CD GLU A 394 -19.074 0.597 12.287 1.00 0.00 C ATOM 1068 OE1 GLU A 394 -19.093 0.435 11.051 1.00 0.00 O1- ATOM 1069 OE2 GLU A 394 -19.205 -0.349 13.094 1.00 0.00 O ATOM 0 H GLU A 394 -19.478 3.288 15.286 1.00 0.00 H new ATOM 0 HA GLU A 394 -19.419 4.673 12.813 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -20.850 2.152 13.694 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -20.752 2.709 12.035 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -18.263 2.567 12.160 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -18.397 1.948 13.794 1.00 0.00 H new ATOM 1076 N ASP A 395 -21.751 5.468 12.350 1.00 0.00 N ATOM 1077 CA ASP A 395 -22.997 6.189 12.203 1.00 0.00 C ATOM 1078 C ASP A 395 -24.074 5.282 11.641 1.00 0.00 C ATOM 1079 O ASP A 395 -25.254 5.423 11.963 1.00 0.00 O ATOM 1080 CB ASP A 395 -22.805 7.403 11.298 1.00 0.00 C ATOM 1081 CG ASP A 395 -24.052 8.249 11.191 1.00 0.00 C ATOM 1082 OD1 ASP A 395 -24.285 9.084 12.084 1.00 0.00 O ATOM 1083 OD2 ASP A 395 -24.800 8.094 10.202 1.00 0.00 O1- ATOM 0 H ASP A 395 -21.143 5.506 11.532 1.00 0.00 H new ATOM 0 HA ASP A 395 -23.313 6.533 13.188 1.00 0.00 H new ATOM 0 HB2 ASP A 395 -21.988 8.013 11.683 1.00 0.00 H new ATOM 0 HB3 ASP A 395 -22.511 7.068 10.303 1.00 0.00 H new ATOM 1088 N ASP A 396 -23.666 4.351 10.802 1.00 0.00 N ATOM 1089 CA ASP A 396 -24.598 3.418 10.201 1.00 0.00 C ATOM 1090 C ASP A 396 -24.471 2.046 10.831 1.00 0.00 C ATOM 1091 O ASP A 396 -25.392 1.646 11.561 1.00 0.00 O ATOM 1092 CB ASP A 396 -24.391 3.321 8.696 1.00 0.00 C ATOM 1093 CG ASP A 396 -25.361 2.350 8.057 1.00 0.00 C ATOM 1094 OD1 ASP A 396 -26.577 2.635 8.052 1.00 0.00 O ATOM 1095 OD2 ASP A 396 -24.919 1.293 7.567 1.00 0.00 O1- ATOM 1096 OXT ASP A 396 -23.441 1.375 10.606 1.00 0.00 O ATOM 0 H ASP A 396 -22.694 4.220 10.521 1.00 0.00 H new ATOM 0 HA ASP A 396 -25.603 3.797 10.385 1.00 0.00 H new ATOM 0 HB2 ASP A 396 -24.515 4.307 8.248 1.00 0.00 H new ATOM 0 HB3 ASP A 396 -23.369 3.003 8.489 1.00 0.00 H new TER 1101 ASP A 396 HETATM 1102 ZN ZN A 401 -3.162 20.122 2.699 1.00 0.00 ZN HETATM 1103 ZN ZN A 402 -12.627 13.954 13.699 1.00 0.00 ZN