USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 551 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 346 CYS SG : rot -131:sc= -0.685 USER MOD Set 1.2: A 349 CYS SG : rot -166:sc= 0.763 USER MOD Set 1.3: A 373 CYS SG : rot 132:sc= 0.751 USER MOD Set 1.4: A 376 CYS SG : rot 123:sc= -7.26! USER MOD Set 2.1: A 331 CYS SG : rot 62:sc= 0.25 USER MOD Set 2.2: A 334 CYS SG : rot 69:sc= 0.726 USER MOD Set 2.3: A 343 GLN : amide:sc= -4.98! C(o=-8.2!,f=-6.9!) USER MOD Set 2.4: A 354 HIS : no HE2:sc= -4.58 X(o=-8.2,f=-7.8!) USER MOD Set 2.5: A 357 CYS SG : rot -142:sc= 0.362 USER MOD Set 3.1: A 315 CYS SG : rot -139:sc= -1.65 USER MOD Set 3.2: A 318 CYS SG : rot -38:sc= -1.01! USER MOD Set 3.3: A 326 CYS SG : rot -78:sc= -3.27! USER MOD Set 3.4: A 329 CYS SG : rot -115:sc= 0.817 USER MOD Single : A 316 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 317 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 319 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0541) USER MOD Single : A 323 ASN : amide:sc=-0.00673 K(o=-0.0067,f=-1.6!) USER MOD Single : A 332 HIS : no HD1:sc= -0.0382 X(o=-0.038,f=-0.16) USER MOD Single : A 338 GLN : amide:sc= -8.93! C(o=-8.9!,f=-7.2!) USER MOD Single : A 342 LYS NZ :NH3+ -161:sc= -0.0652 (180deg=-0.604) USER MOD Single : A 345 MET CE :methyl -148:sc= -5.08! (180deg=-6.35!) USER MOD Single : A 351 MET CE :methyl -160:sc= -0.245 (180deg=-1.42) USER MOD Single : A 356 TYR OH : rot 180:sc= 0 USER MOD Single : A 363 SER OG : rot 180:sc= 0 USER MOD Single : A 364 SER OG : rot 82:sc= 1.21 USER MOD Single : A 367 SER OG : rot 180:sc= 0 USER MOD Single : A 372 TYR OH : rot -168:sc= 0.598 USER MOD Single : A 378 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : B 385 THR OG1 : rot 180:sc= 0 USER MOD Single : B 386 LYS NZ :NH3+ -168:sc= -3.06! (180deg=-4.17!) USER MOD Single : B 387 GLN : amide:sc= -11.1! C(o=-11!,f=-5.9!) USER MOD Single : B 388 THR OG1 : rot 180:sc= 0 USER MOD Single : B 391 LYS NZ :NH3+ 158:sc= -0.236 (180deg=-1.15!) USER MOD Single : B 392 SER OG : rot -140:sc= -0.103 USER MOD ----------------------------------------------------------------- ATOM 46 N CYS A 315 -5.900 8.539 -12.121 1.00 0.00 N ATOM 47 CA CYS A 315 -6.038 7.179 -12.716 1.00 0.00 C ATOM 48 C CYS A 315 -6.709 7.294 -14.084 1.00 0.00 C ATOM 49 O CYS A 315 -7.737 7.924 -14.234 1.00 0.00 O ATOM 50 CB CYS A 315 -6.881 6.304 -11.785 1.00 0.00 C ATOM 51 SG CYS A 315 -7.120 4.673 -12.535 1.00 0.00 S ATOM 0 HA CYS A 315 -5.055 6.724 -12.839 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -6.387 6.202 -10.819 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -7.846 6.776 -11.601 1.00 0.00 H new ATOM 0 HG CYS A 315 -8.342 4.278 -12.335 1.00 0.00 H new ATOM 56 N LYS A 316 -6.121 6.702 -15.086 1.00 0.00 N ATOM 57 CA LYS A 316 -6.704 6.788 -16.454 1.00 0.00 C ATOM 58 C LYS A 316 -7.807 5.744 -16.636 1.00 0.00 C ATOM 59 O LYS A 316 -7.687 4.617 -16.204 1.00 0.00 O ATOM 60 CB LYS A 316 -5.606 6.544 -17.490 1.00 0.00 C ATOM 61 CG LYS A 316 -6.155 6.824 -18.890 1.00 0.00 C ATOM 62 CD LYS A 316 -5.081 6.511 -19.933 1.00 0.00 C ATOM 63 CE LYS A 316 -5.570 6.944 -21.317 1.00 0.00 C ATOM 64 NZ LYS A 316 -4.576 7.871 -21.926 1.00 0.00 N ATOM 0 H LYS A 316 -5.259 6.161 -15.016 1.00 0.00 H new ATOM 0 HA LYS A 316 -7.133 7.781 -16.589 1.00 0.00 H new ATOM 0 HB2 LYS A 316 -4.750 7.188 -17.288 1.00 0.00 H new ATOM 0 HB3 LYS A 316 -5.252 5.515 -17.425 1.00 0.00 H new ATOM 0 HG2 LYS A 316 -7.042 6.217 -19.072 1.00 0.00 H new ATOM 0 HG3 LYS A 316 -6.461 7.867 -18.970 1.00 0.00 H new ATOM 0 HD2 LYS A 316 -4.155 7.030 -19.684 1.00 0.00 H new ATOM 0 HD3 LYS A 316 -4.858 5.444 -19.932 1.00 0.00 H new ATOM 0 HE2 LYS A 316 -5.708 6.071 -21.955 1.00 0.00 H new ATOM 0 HE3 LYS A 316 -6.539 7.436 -21.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 316 -4.907 8.166 -22.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 316 -4.465 8.709 -21.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 316 -3.660 7.387 -22.018 1.00 0.00 H new ATOM 78 N HIS A 317 -8.870 6.131 -17.292 1.00 0.00 N ATOM 79 CA HIS A 317 -10.010 5.208 -17.557 1.00 0.00 C ATOM 80 C HIS A 317 -10.963 5.191 -16.366 1.00 0.00 C ATOM 81 O HIS A 317 -12.143 4.940 -16.509 1.00 0.00 O ATOM 82 CB HIS A 317 -9.484 3.802 -17.814 1.00 0.00 C ATOM 83 CG HIS A 317 -10.464 3.044 -18.666 1.00 0.00 C ATOM 84 ND1 HIS A 317 -11.428 2.208 -18.120 1.00 0.00 N ATOM 85 CD2 HIS A 317 -10.641 2.984 -20.027 1.00 0.00 C ATOM 86 CE1 HIS A 317 -12.136 1.685 -19.139 1.00 0.00 C ATOM 87 NE2 HIS A 317 -11.696 2.126 -20.319 1.00 0.00 N ATOM 0 H HIS A 317 -8.997 7.072 -17.664 1.00 0.00 H new ATOM 0 HA HIS A 317 -10.550 5.559 -18.436 1.00 0.00 H new ATOM 0 HB2 HIS A 317 -8.516 3.851 -18.312 1.00 0.00 H new ATOM 0 HB3 HIS A 317 -9.331 3.282 -16.868 1.00 0.00 H new ATOM 0 HD2 HIS A 317 -10.052 3.520 -20.757 1.00 0.00 H new ATOM 0 HE1 HIS A 317 -12.958 0.995 -19.017 1.00 0.00 H new ATOM 0 HE2 HIS A 317 -12.058 1.885 -21.242 1.00 0.00 H new ATOM 96 N CYS A 318 -10.471 5.462 -15.195 1.00 0.00 N ATOM 97 CA CYS A 318 -11.363 5.465 -14.007 1.00 0.00 C ATOM 98 C CYS A 318 -10.944 6.587 -13.065 1.00 0.00 C ATOM 99 O CYS A 318 -9.804 6.686 -12.674 1.00 0.00 O ATOM 100 CB CYS A 318 -11.262 4.125 -13.281 1.00 0.00 C ATOM 101 SG CYS A 318 -10.733 4.405 -11.571 1.00 0.00 S ATOM 0 H CYS A 318 -9.493 5.681 -15.008 1.00 0.00 H new ATOM 0 HA CYS A 318 -12.393 5.621 -14.328 1.00 0.00 H new ATOM 0 HB2 CYS A 318 -12.226 3.617 -13.296 1.00 0.00 H new ATOM 0 HB3 CYS A 318 -10.551 3.475 -13.791 1.00 0.00 H new ATOM 0 HG CYS A 318 -9.847 5.356 -11.541 1.00 0.00 H new ATOM 106 N LYS A 319 -11.859 7.430 -12.693 1.00 0.00 N ATOM 107 CA LYS A 319 -11.516 8.543 -11.771 1.00 0.00 C ATOM 108 C LYS A 319 -11.457 7.996 -10.350 1.00 0.00 C ATOM 109 O LYS A 319 -11.268 8.725 -9.395 1.00 0.00 O ATOM 110 CB LYS A 319 -12.596 9.615 -11.865 1.00 0.00 C ATOM 111 CG LYS A 319 -12.839 9.956 -13.335 1.00 0.00 C ATOM 112 CD LYS A 319 -11.570 10.558 -13.947 1.00 0.00 C ATOM 113 CE LYS A 319 -11.904 11.181 -15.301 1.00 0.00 C ATOM 114 NZ LYS A 319 -12.532 12.516 -15.094 1.00 0.00 N ATOM 0 H LYS A 319 -12.835 7.397 -12.989 1.00 0.00 H new ATOM 0 HA LYS A 319 -10.552 8.976 -12.039 1.00 0.00 H new ATOM 0 HB2 LYS A 319 -13.518 9.261 -11.404 1.00 0.00 H new ATOM 0 HB3 LYS A 319 -12.289 10.507 -11.318 1.00 0.00 H new ATOM 0 HG2 LYS A 319 -13.127 9.059 -13.883 1.00 0.00 H new ATOM 0 HG3 LYS A 319 -13.665 10.662 -13.422 1.00 0.00 H new ATOM 0 HD2 LYS A 319 -11.155 11.313 -13.280 1.00 0.00 H new ATOM 0 HD3 LYS A 319 -10.810 9.786 -14.067 1.00 0.00 H new ATOM 0 HE2 LYS A 319 -10.999 11.282 -15.900 1.00 0.00 H new ATOM 0 HE3 LYS A 319 -12.581 10.531 -15.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 319 -13.276 12.664 -15.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 319 -12.950 12.559 -14.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 319 -11.809 13.258 -15.189 1.00 0.00 H new ATOM 128 N ASP A 320 -11.619 6.711 -10.209 1.00 0.00 N ATOM 129 CA ASP A 320 -11.575 6.092 -8.861 1.00 0.00 C ATOM 130 C ASP A 320 -12.917 6.301 -8.160 1.00 0.00 C ATOM 131 O ASP A 320 -12.984 6.815 -7.062 1.00 0.00 O ATOM 132 CB ASP A 320 -10.453 6.728 -8.037 1.00 0.00 C ATOM 133 CG ASP A 320 -9.863 5.683 -7.089 1.00 0.00 C ATOM 134 OD1 ASP A 320 -10.522 4.682 -6.859 1.00 0.00 O ATOM 135 OD2 ASP A 320 -8.763 5.902 -6.610 1.00 0.00 O ATOM 0 H ASP A 320 -11.781 6.060 -10.977 1.00 0.00 H new ATOM 0 HA ASP A 320 -11.383 5.024 -8.959 1.00 0.00 H new ATOM 0 HB2 ASP A 320 -9.677 7.115 -8.697 1.00 0.00 H new ATOM 0 HB3 ASP A 320 -10.839 7.574 -7.468 1.00 0.00 H new ATOM 140 N ASP A 321 -13.988 5.899 -8.788 1.00 0.00 N ATOM 141 CA ASP A 321 -15.326 6.068 -8.160 1.00 0.00 C ATOM 142 C ASP A 321 -15.428 5.141 -6.952 1.00 0.00 C ATOM 143 O ASP A 321 -15.063 3.984 -7.012 1.00 0.00 O ATOM 144 CB ASP A 321 -16.419 5.698 -9.162 1.00 0.00 C ATOM 145 CG ASP A 321 -17.782 6.126 -8.613 1.00 0.00 C ATOM 146 OD1 ASP A 321 -17.806 6.754 -7.568 1.00 0.00 O ATOM 147 OD2 ASP A 321 -18.777 5.818 -9.247 1.00 0.00 O ATOM 0 H ASP A 321 -13.993 5.461 -9.709 1.00 0.00 H new ATOM 0 HA ASP A 321 -15.452 7.106 -7.852 1.00 0.00 H new ATOM 0 HB2 ASP A 321 -16.231 6.186 -10.118 1.00 0.00 H new ATOM 0 HB3 ASP A 321 -16.410 4.624 -9.345 1.00 0.00 H new ATOM 152 N VAL A 322 -15.929 5.634 -5.858 1.00 0.00 N ATOM 153 CA VAL A 322 -16.063 4.776 -4.652 1.00 0.00 C ATOM 154 C VAL A 322 -17.036 3.644 -4.965 1.00 0.00 C ATOM 155 O VAL A 322 -16.910 2.541 -4.472 1.00 0.00 O ATOM 156 CB VAL A 322 -16.604 5.614 -3.491 1.00 0.00 C ATOM 157 CG1 VAL A 322 -16.925 4.703 -2.305 1.00 0.00 C ATOM 158 CG2 VAL A 322 -15.551 6.642 -3.073 1.00 0.00 C ATOM 0 H VAL A 322 -16.252 6.595 -5.746 1.00 0.00 H new ATOM 0 HA VAL A 322 -15.093 4.364 -4.374 1.00 0.00 H new ATOM 0 HB VAL A 322 -17.512 6.128 -3.808 1.00 0.00 H new ATOM 0 HG11 VAL A 322 -17.310 5.302 -1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 322 -17.675 3.970 -2.602 1.00 0.00 H new ATOM 0 HG13 VAL A 322 -16.019 4.187 -1.987 1.00 0.00 H new ATOM 0 HG21 VAL A 322 -15.934 7.240 -2.246 1.00 0.00 H new ATOM 0 HG22 VAL A 322 -14.644 6.126 -2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 322 -15.323 7.293 -3.917 1.00 0.00 H new ATOM 168 N ASN A 323 -18.010 3.917 -5.784 1.00 0.00 N ATOM 169 CA ASN A 323 -19.004 2.878 -6.143 1.00 0.00 C ATOM 170 C ASN A 323 -18.381 1.873 -7.110 1.00 0.00 C ATOM 171 O ASN A 323 -18.706 0.702 -7.093 1.00 0.00 O ATOM 172 CB ASN A 323 -20.201 3.549 -6.810 1.00 0.00 C ATOM 173 CG ASN A 323 -20.913 4.450 -5.799 1.00 0.00 C ATOM 174 OD1 ASN A 323 -20.703 4.330 -4.609 1.00 0.00 O ATOM 175 ND2 ASN A 323 -21.754 5.353 -6.226 1.00 0.00 N ATOM 0 H ASN A 323 -18.159 4.826 -6.223 1.00 0.00 H new ATOM 0 HA ASN A 323 -19.324 2.353 -5.243 1.00 0.00 H new ATOM 0 HB2 ASN A 323 -19.871 4.137 -7.667 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -20.890 2.794 -7.188 1.00 0.00 H new ATOM 0 HD21 ASN A 323 -22.235 5.958 -5.560 1.00 0.00 H new ATOM 0 HD22 ASN A 323 -21.930 5.454 -7.226 1.00 0.00 H new ATOM 182 N ARG A 324 -17.503 2.325 -7.968 1.00 0.00 N ATOM 183 CA ARG A 324 -16.877 1.397 -8.952 1.00 0.00 C ATOM 184 C ARG A 324 -15.351 1.445 -8.828 1.00 0.00 C ATOM 185 O ARG A 324 -14.742 2.488 -8.951 1.00 0.00 O ATOM 186 CB ARG A 324 -17.274 1.835 -10.361 1.00 0.00 C ATOM 187 CG ARG A 324 -18.796 1.815 -10.496 1.00 0.00 C ATOM 188 CD ARG A 324 -19.186 2.167 -11.933 1.00 0.00 C ATOM 189 NE ARG A 324 -18.758 1.071 -12.847 1.00 0.00 N ATOM 190 CZ ARG A 324 -19.497 0.004 -12.977 1.00 0.00 C ATOM 191 NH1 ARG A 324 -20.611 -0.103 -12.307 1.00 0.00 N ATOM 192 NH2 ARG A 324 -19.120 -0.956 -13.778 1.00 0.00 N ATOM 0 H ARG A 324 -17.194 3.295 -8.028 1.00 0.00 H new ATOM 0 HA ARG A 324 -17.219 0.381 -8.756 1.00 0.00 H new ATOM 0 HB2 ARG A 324 -16.894 2.837 -10.561 1.00 0.00 H new ATOM 0 HB3 ARG A 324 -16.825 1.170 -11.099 1.00 0.00 H new ATOM 0 HG2 ARG A 324 -19.182 0.830 -10.234 1.00 0.00 H new ATOM 0 HG3 ARG A 324 -19.243 2.527 -9.802 1.00 0.00 H new ATOM 0 HD2 ARG A 324 -20.264 2.313 -12.003 1.00 0.00 H new ATOM 0 HD3 ARG A 324 -18.717 3.105 -12.229 1.00 0.00 H new ATOM 0 HE ARG A 324 -17.887 1.155 -13.371 1.00 0.00 H new ATOM 0 HH11 ARG A 324 -20.904 0.648 -11.682 1.00 0.00 H new ATOM 0 HH12 ARG A 324 -21.189 -0.937 -12.408 1.00 0.00 H new ATOM 0 HH21 ARG A 324 -18.249 -0.871 -14.301 1.00 0.00 H new ATOM 0 HH22 ARG A 324 -19.697 -1.791 -13.880 1.00 0.00 H new ATOM 206 N LEU A 325 -14.731 0.318 -8.601 1.00 0.00 N ATOM 207 CA LEU A 325 -13.246 0.290 -8.490 1.00 0.00 C ATOM 208 C LEU A 325 -12.656 -0.293 -9.777 1.00 0.00 C ATOM 209 O LEU A 325 -13.125 -1.293 -10.284 1.00 0.00 O ATOM 210 CB LEU A 325 -12.837 -0.578 -7.300 1.00 0.00 C ATOM 211 CG LEU A 325 -11.323 -0.478 -7.097 1.00 0.00 C ATOM 212 CD1 LEU A 325 -10.955 0.902 -6.544 1.00 0.00 C ATOM 213 CD2 LEU A 325 -10.873 -1.556 -6.112 1.00 0.00 C ATOM 0 H LEU A 325 -15.191 -0.585 -8.488 1.00 0.00 H new ATOM 0 HA LEU A 325 -12.871 1.303 -8.341 1.00 0.00 H new ATOM 0 HB2 LEU A 325 -13.358 -0.251 -6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 325 -13.124 -1.615 -7.476 1.00 0.00 H new ATOM 0 HG LEU A 325 -10.824 -0.621 -8.056 1.00 0.00 H new ATOM 0 HD11 LEU A 325 -9.876 0.962 -6.404 1.00 0.00 H new ATOM 0 HD12 LEU A 325 -11.273 1.672 -7.247 1.00 0.00 H new ATOM 0 HD13 LEU A 325 -11.454 1.056 -5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 325 -9.795 -1.488 -5.965 1.00 0.00 H new ATOM 0 HD22 LEU A 325 -11.379 -1.411 -5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 325 -11.123 -2.540 -6.510 1.00 0.00 H new ATOM 225 N CYS A 326 -11.632 0.314 -10.312 1.00 0.00 N ATOM 226 CA CYS A 326 -11.027 -0.224 -11.563 1.00 0.00 C ATOM 227 C CYS A 326 -9.808 -1.078 -11.216 1.00 0.00 C ATOM 228 O CYS A 326 -9.623 -1.471 -10.086 1.00 0.00 O ATOM 229 CB CYS A 326 -10.604 0.928 -12.471 1.00 0.00 C ATOM 230 SG CYS A 326 -8.853 1.303 -12.215 1.00 0.00 S ATOM 0 H CYS A 326 -11.190 1.155 -9.939 1.00 0.00 H new ATOM 0 HA CYS A 326 -11.763 -0.837 -12.083 1.00 0.00 H new ATOM 0 HB2 CYS A 326 -10.780 0.664 -13.514 1.00 0.00 H new ATOM 0 HB3 CYS A 326 -11.208 1.810 -12.259 1.00 0.00 H new ATOM 0 HG CYS A 326 -8.711 1.986 -11.118 1.00 0.00 H new ATOM 235 N ARG A 327 -8.982 -1.375 -12.186 1.00 0.00 N ATOM 236 CA ARG A 327 -7.778 -2.208 -11.914 1.00 0.00 C ATOM 237 C ARG A 327 -6.513 -1.353 -12.046 1.00 0.00 C ATOM 238 O ARG A 327 -5.456 -1.709 -11.565 1.00 0.00 O ATOM 239 CB ARG A 327 -7.727 -3.356 -12.924 1.00 0.00 C ATOM 240 CG ARG A 327 -8.990 -4.208 -12.783 1.00 0.00 C ATOM 241 CD ARG A 327 -8.915 -5.402 -13.736 1.00 0.00 C ATOM 242 NE ARG A 327 -10.237 -6.085 -13.781 1.00 0.00 N ATOM 243 CZ ARG A 327 -10.328 -7.301 -14.245 1.00 0.00 C ATOM 244 NH1 ARG A 327 -9.261 -7.918 -14.674 1.00 0.00 N ATOM 245 NH2 ARG A 327 -11.486 -7.902 -14.280 1.00 0.00 N ATOM 0 H ARG A 327 -9.092 -1.075 -13.155 1.00 0.00 H new ATOM 0 HA ARG A 327 -7.833 -2.608 -10.901 1.00 0.00 H new ATOM 0 HB2 ARG A 327 -7.652 -2.961 -13.937 1.00 0.00 H new ATOM 0 HB3 ARG A 327 -6.841 -3.967 -12.753 1.00 0.00 H new ATOM 0 HG2 ARG A 327 -9.092 -4.556 -11.755 1.00 0.00 H new ATOM 0 HG3 ARG A 327 -9.872 -3.608 -13.005 1.00 0.00 H new ATOM 0 HD2 ARG A 327 -8.633 -5.067 -14.734 1.00 0.00 H new ATOM 0 HD3 ARG A 327 -8.145 -6.098 -13.404 1.00 0.00 H new ATOM 0 HE ARG A 327 -11.072 -5.602 -13.449 1.00 0.00 H new ATOM 0 HH11 ARG A 327 -8.355 -7.450 -14.647 1.00 0.00 H new ATOM 0 HH12 ARG A 327 -9.333 -8.869 -15.037 1.00 0.00 H new ATOM 0 HH21 ARG A 327 -12.321 -7.421 -13.944 1.00 0.00 H new ATOM 0 HH22 ARG A 327 -11.556 -8.853 -14.643 1.00 0.00 H new ATOM 259 N VAL A 328 -6.613 -0.227 -12.701 1.00 0.00 N ATOM 260 CA VAL A 328 -5.420 0.651 -12.874 1.00 0.00 C ATOM 261 C VAL A 328 -4.954 1.191 -11.521 1.00 0.00 C ATOM 262 O VAL A 328 -3.779 1.184 -11.214 1.00 0.00 O ATOM 263 CB VAL A 328 -5.781 1.821 -13.789 1.00 0.00 C ATOM 264 CG1 VAL A 328 -4.670 2.872 -13.734 1.00 0.00 C ATOM 265 CG2 VAL A 328 -5.933 1.316 -15.225 1.00 0.00 C ATOM 0 H VAL A 328 -7.472 0.123 -13.125 1.00 0.00 H new ATOM 0 HA VAL A 328 -4.613 0.067 -13.317 1.00 0.00 H new ATOM 0 HB VAL A 328 -6.720 2.266 -13.458 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -4.926 3.707 -14.386 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -4.559 3.231 -12.711 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -3.732 2.427 -14.066 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -6.190 2.150 -15.878 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -4.994 0.872 -15.556 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -6.723 0.566 -15.265 1.00 0.00 H new ATOM 275 N CYS A 329 -5.861 1.656 -10.706 1.00 0.00 N ATOM 276 CA CYS A 329 -5.455 2.188 -9.374 1.00 0.00 C ATOM 277 C CYS A 329 -5.699 1.112 -8.321 1.00 0.00 C ATOM 278 O CYS A 329 -5.396 1.283 -7.157 1.00 0.00 O ATOM 279 CB CYS A 329 -6.267 3.444 -9.033 1.00 0.00 C ATOM 280 SG CYS A 329 -8.037 3.105 -9.183 1.00 0.00 S ATOM 0 H CYS A 329 -6.861 1.691 -10.903 1.00 0.00 H new ATOM 0 HA CYS A 329 -4.399 2.456 -9.395 1.00 0.00 H new ATOM 0 HB2 CYS A 329 -6.037 3.770 -8.019 1.00 0.00 H new ATOM 0 HB3 CYS A 329 -5.988 4.259 -9.701 1.00 0.00 H new ATOM 0 HG CYS A 329 -8.535 3.818 -10.150 1.00 0.00 H new ATOM 285 N ALA A 330 -6.240 0.001 -8.738 1.00 0.00 N ATOM 286 CA ALA A 330 -6.511 -1.112 -7.788 1.00 0.00 C ATOM 287 C ALA A 330 -5.590 -2.286 -8.133 1.00 0.00 C ATOM 288 O ALA A 330 -4.419 -2.103 -8.399 1.00 0.00 O ATOM 289 CB ALA A 330 -7.975 -1.532 -7.927 1.00 0.00 C ATOM 0 H ALA A 330 -6.508 -0.184 -9.705 1.00 0.00 H new ATOM 0 HA ALA A 330 -6.324 -0.797 -6.762 1.00 0.00 H new ATOM 0 HB1 ALA A 330 -8.187 -2.348 -7.236 1.00 0.00 H new ATOM 0 HB2 ALA A 330 -8.620 -0.684 -7.697 1.00 0.00 H new ATOM 0 HB3 ALA A 330 -8.163 -1.864 -8.948 1.00 0.00 H new ATOM 295 N CYS A 331 -6.101 -3.488 -8.151 1.00 0.00 N ATOM 296 CA CYS A 331 -5.234 -4.648 -8.503 1.00 0.00 C ATOM 297 C CYS A 331 -5.313 -4.874 -10.012 1.00 0.00 C ATOM 298 O CYS A 331 -6.383 -4.915 -10.585 1.00 0.00 O ATOM 299 CB CYS A 331 -5.704 -5.907 -7.770 1.00 0.00 C ATOM 300 SG CYS A 331 -4.285 -6.718 -6.988 1.00 0.00 S ATOM 0 H CYS A 331 -7.073 -3.715 -7.939 1.00 0.00 H new ATOM 0 HA CYS A 331 -4.207 -4.438 -8.205 1.00 0.00 H new ATOM 0 HB2 CYS A 331 -6.447 -5.646 -7.017 1.00 0.00 H new ATOM 0 HB3 CYS A 331 -6.186 -6.589 -8.470 1.00 0.00 H new ATOM 0 HG CYS A 331 -3.758 -5.918 -6.109 1.00 0.00 H new ATOM 305 N HIS A 332 -4.194 -5.009 -10.664 1.00 0.00 N ATOM 306 CA HIS A 332 -4.217 -5.217 -12.138 1.00 0.00 C ATOM 307 C HIS A 332 -5.116 -6.411 -12.472 1.00 0.00 C ATOM 308 O HIS A 332 -5.897 -6.368 -13.399 1.00 0.00 O ATOM 309 CB HIS A 332 -2.794 -5.483 -12.636 1.00 0.00 C ATOM 310 CG HIS A 332 -2.783 -5.511 -14.140 1.00 0.00 C ATOM 311 ND1 HIS A 332 -3.266 -4.456 -14.902 1.00 0.00 N ATOM 312 CD2 HIS A 332 -2.342 -6.452 -15.039 1.00 0.00 C ATOM 313 CE1 HIS A 332 -3.106 -4.785 -16.198 1.00 0.00 C ATOM 314 NE2 HIS A 332 -2.550 -5.988 -16.333 1.00 0.00 N ATOM 0 H HIS A 332 -3.266 -4.985 -10.242 1.00 0.00 H new ATOM 0 HA HIS A 332 -4.609 -4.325 -12.627 1.00 0.00 H new ATOM 0 HB2 HIS A 332 -2.120 -4.708 -12.272 1.00 0.00 H new ATOM 0 HB3 HIS A 332 -2.431 -6.432 -12.242 1.00 0.00 H new ATOM 0 HD2 HIS A 332 -1.902 -7.404 -14.781 1.00 0.00 H new ATOM 0 HE1 HIS A 332 -3.393 -4.152 -17.025 1.00 0.00 H new ATOM 0 HE2 HIS A 332 -2.324 -6.468 -17.204 1.00 0.00 H new ATOM 323 N LEU A 333 -5.012 -7.476 -11.724 1.00 0.00 N ATOM 324 CA LEU A 333 -5.865 -8.666 -12.003 1.00 0.00 C ATOM 325 C LEU A 333 -7.111 -8.651 -11.114 1.00 0.00 C ATOM 326 O LEU A 333 -8.212 -8.902 -11.565 1.00 0.00 O ATOM 327 CB LEU A 333 -5.068 -9.939 -11.722 1.00 0.00 C ATOM 328 CG LEU A 333 -4.100 -10.204 -12.877 1.00 0.00 C ATOM 329 CD1 LEU A 333 -3.018 -9.125 -12.893 1.00 0.00 C ATOM 330 CD2 LEU A 333 -3.446 -11.575 -12.691 1.00 0.00 C ATOM 0 H LEU A 333 -4.375 -7.573 -10.934 1.00 0.00 H new ATOM 0 HA LEU A 333 -6.172 -8.639 -13.048 1.00 0.00 H new ATOM 0 HB2 LEU A 333 -4.516 -9.836 -10.788 1.00 0.00 H new ATOM 0 HB3 LEU A 333 -5.745 -10.785 -11.600 1.00 0.00 H new ATOM 0 HG LEU A 333 -4.647 -10.186 -13.819 1.00 0.00 H new ATOM 0 HD11 LEU A 333 -2.328 -9.314 -13.716 1.00 0.00 H new ATOM 0 HD12 LEU A 333 -3.481 -8.147 -13.025 1.00 0.00 H new ATOM 0 HD13 LEU A 333 -2.472 -9.144 -11.950 1.00 0.00 H new ATOM 0 HD21 LEU A 333 -2.756 -11.764 -13.514 1.00 0.00 H new ATOM 0 HD22 LEU A 333 -2.899 -11.592 -11.748 1.00 0.00 H new ATOM 0 HD23 LEU A 333 -4.216 -12.347 -12.678 1.00 0.00 H new ATOM 342 N CYS A 334 -6.943 -8.383 -9.850 1.00 0.00 N ATOM 343 CA CYS A 334 -8.110 -8.379 -8.920 1.00 0.00 C ATOM 344 C CYS A 334 -8.757 -6.993 -8.869 1.00 0.00 C ATOM 345 O CYS A 334 -8.357 -6.138 -8.106 1.00 0.00 O ATOM 346 CB CYS A 334 -7.636 -8.767 -7.519 1.00 0.00 C ATOM 347 SG CYS A 334 -6.271 -9.950 -7.652 1.00 0.00 S ATOM 0 H CYS A 334 -6.045 -8.166 -9.418 1.00 0.00 H new ATOM 0 HA CYS A 334 -8.848 -9.095 -9.280 1.00 0.00 H new ATOM 0 HB2 CYS A 334 -7.312 -7.880 -6.974 1.00 0.00 H new ATOM 0 HB3 CYS A 334 -8.458 -9.206 -6.953 1.00 0.00 H new ATOM 0 HG CYS A 334 -5.224 -9.352 -8.139 1.00 0.00 H new ATOM 352 N GLY A 335 -9.769 -6.766 -9.658 1.00 0.00 N ATOM 353 CA GLY A 335 -10.442 -5.438 -9.626 1.00 0.00 C ATOM 354 C GLY A 335 -11.514 -5.447 -8.544 1.00 0.00 C ATOM 355 O GLY A 335 -12.486 -6.172 -8.621 1.00 0.00 O ATOM 0 H GLY A 335 -10.158 -7.438 -10.320 1.00 0.00 H new ATOM 0 HA2 GLY A 335 -9.713 -4.652 -9.427 1.00 0.00 H new ATOM 0 HA3 GLY A 335 -10.889 -5.220 -10.596 1.00 0.00 H new ATOM 359 N GLY A 336 -11.339 -4.651 -7.529 1.00 0.00 N ATOM 360 CA GLY A 336 -12.340 -4.613 -6.430 1.00 0.00 C ATOM 361 C GLY A 336 -11.605 -4.621 -5.093 1.00 0.00 C ATOM 362 O GLY A 336 -10.738 -3.806 -4.853 1.00 0.00 O ATOM 0 H GLY A 336 -10.544 -4.023 -7.413 1.00 0.00 H new ATOM 0 HA2 GLY A 336 -12.959 -3.720 -6.515 1.00 0.00 H new ATOM 0 HA3 GLY A 336 -13.008 -5.472 -6.498 1.00 0.00 H new ATOM 366 N ARG A 337 -11.935 -5.537 -4.223 1.00 0.00 N ATOM 367 CA ARG A 337 -11.242 -5.588 -2.909 1.00 0.00 C ATOM 368 C ARG A 337 -10.666 -6.986 -2.675 1.00 0.00 C ATOM 369 O ARG A 337 -11.295 -7.988 -2.951 1.00 0.00 O ATOM 370 CB ARG A 337 -12.234 -5.251 -1.794 1.00 0.00 C ATOM 371 CG ARG A 337 -12.705 -3.804 -1.949 1.00 0.00 C ATOM 372 CD ARG A 337 -13.640 -3.443 -0.793 1.00 0.00 C ATOM 373 NE ARG A 337 -12.862 -3.390 0.477 1.00 0.00 N ATOM 374 CZ ARG A 337 -13.465 -3.106 1.599 1.00 0.00 C ATOM 375 NH1 ARG A 337 -14.748 -2.870 1.609 1.00 0.00 N ATOM 376 NH2 ARG A 337 -12.784 -3.060 2.712 1.00 0.00 N ATOM 0 H ARG A 337 -12.652 -6.248 -4.367 1.00 0.00 H new ATOM 0 HA ARG A 337 -10.429 -4.862 -2.906 1.00 0.00 H new ATOM 0 HB2 ARG A 337 -13.087 -5.928 -1.835 1.00 0.00 H new ATOM 0 HB3 ARG A 337 -11.764 -5.389 -0.820 1.00 0.00 H new ATOM 0 HG2 ARG A 337 -11.848 -3.131 -1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 337 -13.221 -3.679 -2.901 1.00 0.00 H new ATOM 0 HD2 ARG A 337 -14.114 -2.480 -0.982 1.00 0.00 H new ATOM 0 HD3 ARG A 337 -14.438 -4.181 -0.713 1.00 0.00 H new ATOM 0 HE ARG A 337 -11.859 -3.576 0.469 1.00 0.00 H new ATOM 0 HH11 ARG A 337 -15.280 -2.907 0.740 1.00 0.00 H new ATOM 0 HH12 ARG A 337 -15.219 -2.648 2.486 1.00 0.00 H new ATOM 0 HH21 ARG A 337 -11.781 -3.246 2.704 1.00 0.00 H new ATOM 0 HH22 ARG A 337 -13.255 -2.838 3.589 1.00 0.00 H new ATOM 390 N GLN A 338 -9.469 -7.051 -2.161 1.00 0.00 N ATOM 391 CA GLN A 338 -8.830 -8.367 -1.891 1.00 0.00 C ATOM 392 C GLN A 338 -7.728 -8.173 -0.848 1.00 0.00 C ATOM 393 O GLN A 338 -7.515 -9.004 0.011 1.00 0.00 O ATOM 394 CB GLN A 338 -8.220 -8.920 -3.183 1.00 0.00 C ATOM 395 CG GLN A 338 -7.680 -7.766 -4.033 1.00 0.00 C ATOM 396 CD GLN A 338 -8.832 -7.103 -4.789 1.00 0.00 C ATOM 397 OE1 GLN A 338 -9.677 -7.775 -5.346 1.00 0.00 O ATOM 398 NE2 GLN A 338 -8.903 -5.800 -4.832 1.00 0.00 N ATOM 0 H GLN A 338 -8.902 -6.240 -1.915 1.00 0.00 H new ATOM 0 HA GLN A 338 -9.575 -9.071 -1.520 1.00 0.00 H new ATOM 0 HB2 GLN A 338 -7.417 -9.618 -2.948 1.00 0.00 H new ATOM 0 HB3 GLN A 338 -8.972 -9.476 -3.743 1.00 0.00 H new ATOM 0 HG2 GLN A 338 -7.181 -7.035 -3.397 1.00 0.00 H new ATOM 0 HG3 GLN A 338 -6.935 -8.137 -4.737 1.00 0.00 H new ATOM 0 HE21 GLN A 338 -8.194 -5.235 -4.365 1.00 0.00 H new ATOM 0 HE22 GLN A 338 -9.667 -5.347 -5.333 1.00 0.00 H new ATOM 407 N ASP A 339 -7.032 -7.072 -0.923 1.00 0.00 N ATOM 408 CA ASP A 339 -5.942 -6.799 0.056 1.00 0.00 C ATOM 409 C ASP A 339 -5.384 -5.397 -0.195 1.00 0.00 C ATOM 410 O ASP A 339 -4.190 -5.206 -0.314 1.00 0.00 O ATOM 411 CB ASP A 339 -4.826 -7.828 -0.126 1.00 0.00 C ATOM 412 CG ASP A 339 -4.246 -7.705 -1.536 1.00 0.00 C ATOM 413 OD1 ASP A 339 -3.340 -6.908 -1.715 1.00 0.00 O ATOM 414 OD2 ASP A 339 -4.718 -8.410 -2.413 1.00 0.00 O ATOM 0 H ASP A 339 -7.173 -6.345 -1.625 1.00 0.00 H new ATOM 0 HA ASP A 339 -6.334 -6.864 1.071 1.00 0.00 H new ATOM 0 HB2 ASP A 339 -4.044 -7.668 0.616 1.00 0.00 H new ATOM 0 HB3 ASP A 339 -5.214 -8.834 0.033 1.00 0.00 H new ATOM 419 N PRO A 340 -6.251 -4.426 -0.284 1.00 0.00 N ATOM 420 CA PRO A 340 -5.857 -3.009 -0.536 1.00 0.00 C ATOM 421 C PRO A 340 -4.944 -2.448 0.556 1.00 0.00 C ATOM 422 O PRO A 340 -4.130 -1.583 0.306 1.00 0.00 O ATOM 423 CB PRO A 340 -7.188 -2.246 -0.561 1.00 0.00 C ATOM 424 CG PRO A 340 -8.188 -3.145 0.087 1.00 0.00 C ATOM 425 CD PRO A 340 -7.704 -4.572 -0.146 1.00 0.00 C ATOM 0 HA PRO A 340 -5.287 -2.918 -1.460 1.00 0.00 H new ATOM 0 HB2 PRO A 340 -7.107 -1.301 -0.024 1.00 0.00 H new ATOM 0 HB3 PRO A 340 -7.482 -2.007 -1.583 1.00 0.00 H new ATOM 0 HG2 PRO A 340 -8.268 -2.932 1.153 1.00 0.00 H new ATOM 0 HG3 PRO A 340 -9.179 -2.997 -0.343 1.00 0.00 H new ATOM 0 HD2 PRO A 340 -7.964 -5.224 0.688 1.00 0.00 H new ATOM 0 HD3 PRO A 340 -8.150 -5.005 -1.041 1.00 0.00 H new ATOM 433 N ASP A 341 -5.077 -2.924 1.762 1.00 0.00 N ATOM 434 CA ASP A 341 -4.222 -2.407 2.866 1.00 0.00 C ATOM 435 C ASP A 341 -2.752 -2.735 2.589 1.00 0.00 C ATOM 436 O ASP A 341 -1.862 -2.003 2.972 1.00 0.00 O ATOM 437 CB ASP A 341 -4.652 -3.063 4.179 1.00 0.00 C ATOM 438 CG ASP A 341 -6.062 -2.597 4.545 1.00 0.00 C ATOM 439 OD1 ASP A 341 -6.525 -1.644 3.941 1.00 0.00 O ATOM 440 OD2 ASP A 341 -6.654 -3.202 5.424 1.00 0.00 O ATOM 0 H ASP A 341 -5.742 -3.649 2.031 1.00 0.00 H new ATOM 0 HA ASP A 341 -4.336 -1.325 2.936 1.00 0.00 H new ATOM 0 HB2 ASP A 341 -4.631 -4.148 4.080 1.00 0.00 H new ATOM 0 HB3 ASP A 341 -3.954 -2.802 4.974 1.00 0.00 H new ATOM 445 N LYS A 342 -2.491 -3.829 1.927 1.00 0.00 N ATOM 446 CA LYS A 342 -1.078 -4.204 1.626 1.00 0.00 C ATOM 447 C LYS A 342 -0.779 -3.942 0.148 1.00 0.00 C ATOM 448 O LYS A 342 0.142 -4.498 -0.415 1.00 0.00 O ATOM 449 CB LYS A 342 -0.862 -5.687 1.937 1.00 0.00 C ATOM 450 CG LYS A 342 -1.090 -5.932 3.430 1.00 0.00 C ATOM 451 CD LYS A 342 -0.752 -7.385 3.769 1.00 0.00 C ATOM 452 CE LYS A 342 -1.082 -7.657 5.238 1.00 0.00 C ATOM 453 NZ LYS A 342 -0.339 -6.696 6.102 1.00 0.00 N ATOM 0 H LYS A 342 -3.195 -4.481 1.581 1.00 0.00 H new ATOM 0 HA LYS A 342 -0.408 -3.604 2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 342 -1.547 -6.297 1.348 1.00 0.00 H new ATOM 0 HB3 LYS A 342 0.149 -5.985 1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 342 -0.469 -5.257 4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 342 -2.127 -5.719 3.690 1.00 0.00 H new ATOM 0 HD2 LYS A 342 -1.318 -8.060 3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 342 0.304 -7.577 3.581 1.00 0.00 H new ATOM 0 HE2 LYS A 342 -2.155 -7.558 5.405 1.00 0.00 H new ATOM 0 HE3 LYS A 342 -0.812 -8.680 5.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 342 -0.297 -7.064 7.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 342 0.627 -6.575 5.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 342 -0.827 -5.778 6.100 1.00 0.00 H new ATOM 467 N GLN A 343 -1.554 -3.106 -0.486 1.00 0.00 N ATOM 468 CA GLN A 343 -1.316 -2.820 -1.928 1.00 0.00 C ATOM 469 C GLN A 343 -0.400 -1.601 -2.072 1.00 0.00 C ATOM 470 O GLN A 343 -0.718 -0.518 -1.625 1.00 0.00 O ATOM 471 CB GLN A 343 -2.655 -2.540 -2.613 1.00 0.00 C ATOM 472 CG GLN A 343 -2.441 -2.387 -4.120 1.00 0.00 C ATOM 473 CD GLN A 343 -2.126 -3.752 -4.732 1.00 0.00 C ATOM 474 OE1 GLN A 343 -2.960 -4.636 -4.734 1.00 0.00 O ATOM 475 NE2 GLN A 343 -0.949 -3.965 -5.256 1.00 0.00 N ATOM 0 H GLN A 343 -2.341 -2.609 -0.068 1.00 0.00 H new ATOM 0 HA GLN A 343 -0.838 -3.681 -2.395 1.00 0.00 H new ATOM 0 HB2 GLN A 343 -3.353 -3.354 -2.416 1.00 0.00 H new ATOM 0 HB3 GLN A 343 -3.100 -1.633 -2.205 1.00 0.00 H new ATOM 0 HG2 GLN A 343 -3.333 -1.966 -4.584 1.00 0.00 H new ATOM 0 HG3 GLN A 343 -1.623 -1.693 -4.313 1.00 0.00 H new ATOM 0 HE21 GLN A 343 -0.248 -3.224 -5.255 1.00 0.00 H new ATOM 0 HE22 GLN A 343 -0.730 -4.873 -5.667 1.00 0.00 H new ATOM 484 N LEU A 344 0.733 -1.776 -2.702 1.00 0.00 N ATOM 485 CA LEU A 344 1.675 -0.636 -2.890 1.00 0.00 C ATOM 486 C LEU A 344 1.743 -0.279 -4.377 1.00 0.00 C ATOM 487 O LEU A 344 1.639 -1.141 -5.239 1.00 0.00 O ATOM 488 CB LEU A 344 3.069 -1.033 -2.397 1.00 0.00 C ATOM 489 CG LEU A 344 3.524 -2.308 -3.113 1.00 0.00 C ATOM 490 CD1 LEU A 344 4.884 -2.066 -3.773 1.00 0.00 C ATOM 491 CD2 LEU A 344 3.648 -3.451 -2.101 1.00 0.00 C ATOM 0 H LEU A 344 1.046 -2.664 -3.095 1.00 0.00 H new ATOM 0 HA LEU A 344 1.324 0.224 -2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 344 3.776 -0.226 -2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 344 3.052 -1.196 -1.319 1.00 0.00 H new ATOM 0 HG LEU A 344 2.790 -2.575 -3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 344 5.208 -2.974 -4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 344 4.798 -1.255 -4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 344 5.616 -1.797 -3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 344 3.972 -4.357 -2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 344 4.380 -3.184 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 344 2.681 -3.627 -1.630 1.00 0.00 H new ATOM 503 N MET A 345 1.904 0.985 -4.686 1.00 0.00 N ATOM 504 CA MET A 345 1.966 1.408 -6.106 1.00 0.00 C ATOM 505 C MET A 345 3.202 2.263 -6.360 1.00 0.00 C ATOM 506 O MET A 345 3.701 2.936 -5.480 1.00 0.00 O ATOM 507 CB MET A 345 0.715 2.214 -6.434 1.00 0.00 C ATOM 508 CG MET A 345 -0.513 1.305 -6.350 1.00 0.00 C ATOM 509 SD MET A 345 -1.968 2.181 -6.974 1.00 0.00 S ATOM 510 CE MET A 345 -1.583 2.062 -8.739 1.00 0.00 C ATOM 0 H MET A 345 1.995 1.740 -4.007 1.00 0.00 H new ATOM 0 HA MET A 345 2.023 0.523 -6.739 1.00 0.00 H new ATOM 0 HB2 MET A 345 0.613 3.047 -5.738 1.00 0.00 H new ATOM 0 HB3 MET A 345 0.797 2.642 -7.433 1.00 0.00 H new ATOM 0 HG2 MET A 345 -0.346 0.398 -6.931 1.00 0.00 H new ATOM 0 HG3 MET A 345 -0.678 0.996 -5.318 1.00 0.00 H new ATOM 0 HE1 MET A 345 -1.966 2.943 -9.255 1.00 0.00 H new ATOM 0 HE2 MET A 345 -0.503 2.004 -8.873 1.00 0.00 H new ATOM 0 HE3 MET A 345 -2.048 1.168 -9.153 1.00 0.00 H new ATOM 520 N CYS A 346 3.694 2.253 -7.571 1.00 0.00 N ATOM 521 CA CYS A 346 4.895 3.088 -7.881 1.00 0.00 C ATOM 522 C CYS A 346 4.412 4.468 -8.338 1.00 0.00 C ATOM 523 O CYS A 346 3.742 4.602 -9.338 1.00 0.00 O ATOM 524 CB CYS A 346 5.730 2.412 -8.978 1.00 0.00 C ATOM 525 SG CYS A 346 6.591 3.661 -9.976 1.00 0.00 S ATOM 0 H CYS A 346 3.323 1.711 -8.351 1.00 0.00 H new ATOM 0 HA CYS A 346 5.525 3.195 -6.998 1.00 0.00 H new ATOM 0 HB2 CYS A 346 6.455 1.734 -8.527 1.00 0.00 H new ATOM 0 HB3 CYS A 346 5.084 1.809 -9.616 1.00 0.00 H new ATOM 0 HG CYS A 346 6.404 3.412 -11.238 1.00 0.00 H new ATOM 530 N ASP A 347 4.722 5.493 -7.593 1.00 0.00 N ATOM 531 CA ASP A 347 4.247 6.857 -7.966 1.00 0.00 C ATOM 532 C ASP A 347 4.461 7.103 -9.456 1.00 0.00 C ATOM 533 O ASP A 347 3.620 7.671 -10.126 1.00 0.00 O ATOM 534 CB ASP A 347 5.026 7.901 -7.164 1.00 0.00 C ATOM 535 CG ASP A 347 4.370 9.272 -7.337 1.00 0.00 C ATOM 536 OD1 ASP A 347 3.317 9.330 -7.950 1.00 0.00 O ATOM 537 OD2 ASP A 347 4.933 10.242 -6.855 1.00 0.00 O ATOM 0 H ASP A 347 5.283 5.446 -6.743 1.00 0.00 H new ATOM 0 HA ASP A 347 3.183 6.935 -7.743 1.00 0.00 H new ATOM 0 HB2 ASP A 347 5.044 7.625 -6.110 1.00 0.00 H new ATOM 0 HB3 ASP A 347 6.062 7.936 -7.502 1.00 0.00 H new ATOM 542 N GLU A 348 5.569 6.688 -9.983 1.00 0.00 N ATOM 543 CA GLU A 348 5.821 6.908 -11.431 1.00 0.00 C ATOM 544 C GLU A 348 4.864 6.041 -12.260 1.00 0.00 C ATOM 545 O GLU A 348 4.510 6.388 -13.370 1.00 0.00 O ATOM 546 CB GLU A 348 7.273 6.559 -11.751 1.00 0.00 C ATOM 547 CG GLU A 348 7.592 6.987 -13.185 1.00 0.00 C ATOM 548 CD GLU A 348 9.053 6.664 -13.505 1.00 0.00 C ATOM 549 OE1 GLU A 348 9.773 6.302 -12.590 1.00 0.00 O ATOM 550 OE2 GLU A 348 9.429 6.797 -14.657 1.00 0.00 O ATOM 0 H GLU A 348 6.313 6.206 -9.478 1.00 0.00 H new ATOM 0 HA GLU A 348 5.646 7.954 -11.681 1.00 0.00 H new ATOM 0 HB2 GLU A 348 7.942 7.061 -11.052 1.00 0.00 H new ATOM 0 HB3 GLU A 348 7.436 5.488 -11.634 1.00 0.00 H new ATOM 0 HG2 GLU A 348 6.934 6.471 -13.884 1.00 0.00 H new ATOM 0 HG3 GLU A 348 7.411 8.055 -13.305 1.00 0.00 H new ATOM 557 N CYS A 349 4.439 4.921 -11.729 1.00 0.00 N ATOM 558 CA CYS A 349 3.500 4.036 -12.487 1.00 0.00 C ATOM 559 C CYS A 349 2.192 3.881 -11.711 1.00 0.00 C ATOM 560 O CYS A 349 2.185 3.512 -10.555 1.00 0.00 O ATOM 561 CB CYS A 349 4.122 2.652 -12.667 1.00 0.00 C ATOM 562 SG CYS A 349 5.717 2.801 -13.498 1.00 0.00 S ATOM 0 H CYS A 349 4.701 4.581 -10.804 1.00 0.00 H new ATOM 0 HA CYS A 349 3.306 4.487 -13.460 1.00 0.00 H new ATOM 0 HB2 CYS A 349 4.251 2.172 -11.697 1.00 0.00 H new ATOM 0 HB3 CYS A 349 3.456 2.017 -13.251 1.00 0.00 H new ATOM 0 HG CYS A 349 6.103 1.630 -13.910 1.00 0.00 H new ATOM 567 N ASP A 350 1.081 4.135 -12.339 1.00 0.00 N ATOM 568 CA ASP A 350 -0.215 3.979 -11.627 1.00 0.00 C ATOM 569 C ASP A 350 -0.526 2.492 -11.483 1.00 0.00 C ATOM 570 O ASP A 350 -1.662 2.091 -11.333 1.00 0.00 O ATOM 571 CB ASP A 350 -1.327 4.671 -12.417 1.00 0.00 C ATOM 572 CG ASP A 350 -1.115 6.185 -12.368 1.00 0.00 C ATOM 573 OD1 ASP A 350 -0.333 6.626 -11.540 1.00 0.00 O ATOM 574 OD2 ASP A 350 -1.737 6.877 -13.156 1.00 0.00 O ATOM 0 H ASP A 350 1.014 4.442 -13.309 1.00 0.00 H new ATOM 0 HA ASP A 350 -0.150 4.436 -10.640 1.00 0.00 H new ATOM 0 HB2 ASP A 350 -1.324 4.325 -13.451 1.00 0.00 H new ATOM 0 HB3 ASP A 350 -2.300 4.415 -11.998 1.00 0.00 H new ATOM 579 N MET A 351 0.488 1.671 -11.525 1.00 0.00 N ATOM 580 CA MET A 351 0.273 0.204 -11.389 1.00 0.00 C ATOM 581 C MET A 351 0.718 -0.252 -9.996 1.00 0.00 C ATOM 582 O MET A 351 1.560 0.371 -9.358 1.00 0.00 O ATOM 583 CB MET A 351 1.085 -0.540 -12.452 1.00 0.00 C ATOM 584 CG MET A 351 0.520 -0.224 -13.840 1.00 0.00 C ATOM 585 SD MET A 351 1.287 -1.311 -15.070 1.00 0.00 S ATOM 586 CE MET A 351 3.000 -0.792 -14.806 1.00 0.00 C ATOM 0 H MET A 351 1.460 1.956 -11.648 1.00 0.00 H new ATOM 0 HA MET A 351 -0.786 -0.017 -11.525 1.00 0.00 H new ATOM 0 HB2 MET A 351 2.133 -0.244 -12.398 1.00 0.00 H new ATOM 0 HB3 MET A 351 1.047 -1.614 -12.268 1.00 0.00 H new ATOM 0 HG2 MET A 351 -0.561 -0.360 -13.843 1.00 0.00 H new ATOM 0 HG3 MET A 351 0.710 0.819 -14.092 1.00 0.00 H new ATOM 0 HE1 MET A 351 3.599 -1.058 -15.677 1.00 0.00 H new ATOM 0 HE2 MET A 351 3.034 0.287 -14.658 1.00 0.00 H new ATOM 0 HE3 MET A 351 3.400 -1.292 -13.924 1.00 0.00 H new ATOM 596 N ALA A 352 0.151 -1.333 -9.519 1.00 0.00 N ATOM 597 CA ALA A 352 0.524 -1.836 -8.168 1.00 0.00 C ATOM 598 C ALA A 352 1.276 -3.153 -8.282 1.00 0.00 C ATOM 599 O ALA A 352 1.569 -3.625 -9.363 1.00 0.00 O ATOM 600 CB ALA A 352 -0.742 -2.049 -7.337 1.00 0.00 C ATOM 0 H ALA A 352 -0.553 -1.886 -10.009 1.00 0.00 H new ATOM 0 HA ALA A 352 1.167 -1.101 -7.685 1.00 0.00 H new ATOM 0 HB1 ALA A 352 -0.470 -2.417 -6.348 1.00 0.00 H new ATOM 0 HB2 ALA A 352 -1.276 -1.104 -7.238 1.00 0.00 H new ATOM 0 HB3 ALA A 352 -1.384 -2.778 -7.832 1.00 0.00 H new ATOM 606 N PHE A 353 1.598 -3.745 -7.162 1.00 0.00 N ATOM 607 CA PHE A 353 2.343 -5.032 -7.188 1.00 0.00 C ATOM 608 C PHE A 353 1.492 -6.158 -6.592 1.00 0.00 C ATOM 609 O PHE A 353 0.928 -6.034 -5.523 1.00 0.00 O ATOM 610 CB PHE A 353 3.635 -4.870 -6.388 1.00 0.00 C ATOM 611 CG PHE A 353 4.475 -3.803 -7.047 1.00 0.00 C ATOM 612 CD1 PHE A 353 4.277 -2.457 -6.720 1.00 0.00 C ATOM 613 CD2 PHE A 353 5.439 -4.156 -7.996 1.00 0.00 C ATOM 614 CE1 PHE A 353 5.044 -1.465 -7.338 1.00 0.00 C ATOM 615 CE2 PHE A 353 6.207 -3.164 -8.617 1.00 0.00 C ATOM 616 CZ PHE A 353 6.009 -1.818 -8.288 1.00 0.00 C ATOM 0 H PHE A 353 1.376 -3.391 -6.232 1.00 0.00 H new ATOM 0 HA PHE A 353 2.577 -5.294 -8.220 1.00 0.00 H new ATOM 0 HB2 PHE A 353 3.411 -4.593 -5.358 1.00 0.00 H new ATOM 0 HB3 PHE A 353 4.180 -5.813 -6.353 1.00 0.00 H new ATOM 0 HD1 PHE A 353 3.530 -2.184 -5.989 1.00 0.00 H new ATOM 0 HD2 PHE A 353 5.591 -5.195 -8.250 1.00 0.00 H new ATOM 0 HE1 PHE A 353 4.892 -0.427 -7.082 1.00 0.00 H new ATOM 0 HE2 PHE A 353 6.952 -3.437 -9.350 1.00 0.00 H new ATOM 0 HZ PHE A 353 6.601 -1.052 -8.767 1.00 0.00 H new ATOM 626 N HIS A 354 1.408 -7.258 -7.288 1.00 0.00 N ATOM 627 CA HIS A 354 0.612 -8.421 -6.799 1.00 0.00 C ATOM 628 C HIS A 354 1.304 -9.056 -5.593 1.00 0.00 C ATOM 629 O HIS A 354 1.031 -10.185 -5.241 1.00 0.00 O ATOM 630 CB HIS A 354 0.517 -9.465 -7.907 1.00 0.00 C ATOM 631 CG HIS A 354 -0.902 -9.609 -8.390 1.00 0.00 C ATOM 632 ND1 HIS A 354 -1.367 -10.797 -8.932 1.00 0.00 N ATOM 633 CD2 HIS A 354 -1.970 -8.742 -8.419 1.00 0.00 C ATOM 634 CE1 HIS A 354 -2.658 -10.618 -9.259 1.00 0.00 C ATOM 635 NE2 HIS A 354 -3.078 -9.385 -8.966 1.00 0.00 N ATOM 0 H HIS A 354 1.864 -7.403 -8.189 1.00 0.00 H new ATOM 0 HA HIS A 354 -0.382 -8.077 -6.514 1.00 0.00 H new ATOM 0 HB2 HIS A 354 1.161 -9.178 -8.738 1.00 0.00 H new ATOM 0 HB3 HIS A 354 0.879 -10.425 -7.540 1.00 0.00 H new ATOM 0 HD1 HIS A 354 -0.827 -11.653 -9.060 1.00 0.00 H new ATOM 0 HD2 HIS A 354 -1.952 -7.720 -8.071 1.00 0.00 H new ATOM 0 HE1 HIS A 354 -3.281 -11.380 -9.705 1.00 0.00 H new ATOM 643 N ILE A 355 2.212 -8.361 -4.972 1.00 0.00 N ATOM 644 CA ILE A 355 2.931 -8.957 -3.810 1.00 0.00 C ATOM 645 C ILE A 355 1.940 -9.707 -2.921 1.00 0.00 C ATOM 646 O ILE A 355 2.227 -10.780 -2.427 1.00 0.00 O ATOM 647 CB ILE A 355 3.587 -7.845 -2.991 1.00 0.00 C ATOM 648 CG1 ILE A 355 4.495 -8.468 -1.929 1.00 0.00 C ATOM 649 CG2 ILE A 355 2.504 -7.010 -2.306 1.00 0.00 C ATOM 650 CD1 ILE A 355 5.236 -7.359 -1.183 1.00 0.00 C ATOM 0 H ILE A 355 2.488 -7.410 -5.216 1.00 0.00 H new ATOM 0 HA ILE A 355 3.692 -9.647 -4.176 1.00 0.00 H new ATOM 0 HB ILE A 355 4.177 -7.207 -3.649 1.00 0.00 H new ATOM 0 HG12 ILE A 355 3.903 -9.059 -1.230 1.00 0.00 H new ATOM 0 HG13 ILE A 355 5.208 -9.147 -2.397 1.00 0.00 H new ATOM 0 HG21 ILE A 355 2.971 -6.217 -1.722 1.00 0.00 H new ATOM 0 HG22 ILE A 355 1.853 -6.569 -3.061 1.00 0.00 H new ATOM 0 HG23 ILE A 355 1.915 -7.648 -1.647 1.00 0.00 H new ATOM 0 HD11 ILE A 355 5.884 -7.800 -0.425 1.00 0.00 H new ATOM 0 HD12 ILE A 355 5.839 -6.787 -1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 355 4.514 -6.698 -0.703 1.00 0.00 H new ATOM 662 N TYR A 356 0.776 -9.165 -2.720 1.00 0.00 N ATOM 663 CA TYR A 356 -0.226 -9.865 -1.870 1.00 0.00 C ATOM 664 C TYR A 356 -0.777 -11.089 -2.603 1.00 0.00 C ATOM 665 O TYR A 356 -0.909 -12.157 -2.039 1.00 0.00 O ATOM 666 CB TYR A 356 -1.381 -8.921 -1.550 1.00 0.00 C ATOM 667 CG TYR A 356 -2.420 -9.680 -0.764 1.00 0.00 C ATOM 668 CD1 TYR A 356 -3.419 -10.389 -1.439 1.00 0.00 C ATOM 669 CD2 TYR A 356 -2.377 -9.686 0.634 1.00 0.00 C ATOM 670 CE1 TYR A 356 -4.381 -11.104 -0.715 1.00 0.00 C ATOM 671 CE2 TYR A 356 -3.338 -10.401 1.359 1.00 0.00 C ATOM 672 CZ TYR A 356 -4.341 -11.110 0.685 1.00 0.00 C ATOM 673 OH TYR A 356 -5.288 -11.814 1.399 1.00 0.00 O ATOM 0 H TYR A 356 0.473 -8.270 -3.105 1.00 0.00 H new ATOM 0 HA TYR A 356 0.261 -10.182 -0.948 1.00 0.00 H new ATOM 0 HB2 TYR A 356 -1.023 -8.066 -0.976 1.00 0.00 H new ATOM 0 HB3 TYR A 356 -1.815 -8.529 -2.470 1.00 0.00 H new ATOM 0 HD1 TYR A 356 -3.448 -10.385 -2.519 1.00 0.00 H new ATOM 0 HD2 TYR A 356 -1.604 -9.140 1.154 1.00 0.00 H new ATOM 0 HE1 TYR A 356 -5.153 -11.650 -1.236 1.00 0.00 H new ATOM 0 HE2 TYR A 356 -3.306 -10.406 2.439 1.00 0.00 H new ATOM 0 HH TYR A 356 -5.115 -11.714 2.358 1.00 0.00 H new ATOM 683 N CYS A 357 -1.116 -10.935 -3.851 1.00 0.00 N ATOM 684 CA CYS A 357 -1.678 -12.077 -4.621 1.00 0.00 C ATOM 685 C CYS A 357 -0.570 -13.084 -4.928 1.00 0.00 C ATOM 686 O CYS A 357 -0.696 -14.263 -4.660 1.00 0.00 O ATOM 687 CB CYS A 357 -2.286 -11.538 -5.917 1.00 0.00 C ATOM 688 SG CYS A 357 -3.192 -10.010 -5.549 1.00 0.00 S ATOM 0 H CYS A 357 -1.028 -10.063 -4.373 1.00 0.00 H new ATOM 0 HA CYS A 357 -2.450 -12.582 -4.040 1.00 0.00 H new ATOM 0 HB2 CYS A 357 -1.502 -11.345 -6.649 1.00 0.00 H new ATOM 0 HB3 CYS A 357 -2.956 -12.278 -6.355 1.00 0.00 H new ATOM 0 HG CYS A 357 -4.272 -9.961 -6.271 1.00 0.00 H new ATOM 693 N LEU A 358 0.520 -12.628 -5.472 1.00 0.00 N ATOM 694 CA LEU A 358 1.645 -13.551 -5.780 1.00 0.00 C ATOM 695 C LEU A 358 2.266 -14.048 -4.475 1.00 0.00 C ATOM 696 O LEU A 358 2.710 -15.174 -4.374 1.00 0.00 O ATOM 697 CB LEU A 358 2.703 -12.805 -6.593 1.00 0.00 C ATOM 698 CG LEU A 358 2.288 -12.756 -8.066 1.00 0.00 C ATOM 699 CD1 LEU A 358 3.065 -11.647 -8.781 1.00 0.00 C ATOM 700 CD2 LEU A 358 2.603 -14.099 -8.731 1.00 0.00 C ATOM 0 H LEU A 358 0.682 -11.651 -5.718 1.00 0.00 H new ATOM 0 HA LEU A 358 1.274 -14.400 -6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 358 2.825 -11.793 -6.206 1.00 0.00 H new ATOM 0 HB3 LEU A 358 3.668 -13.302 -6.494 1.00 0.00 H new ATOM 0 HG LEU A 358 1.219 -12.555 -8.132 1.00 0.00 H new ATOM 0 HD11 LEU A 358 2.769 -11.613 -9.829 1.00 0.00 H new ATOM 0 HD12 LEU A 358 2.846 -10.688 -8.311 1.00 0.00 H new ATOM 0 HD13 LEU A 358 4.134 -11.849 -8.712 1.00 0.00 H new ATOM 0 HD21 LEU A 358 2.307 -14.064 -9.780 1.00 0.00 H new ATOM 0 HD22 LEU A 358 3.673 -14.297 -8.662 1.00 0.00 H new ATOM 0 HD23 LEU A 358 2.053 -14.893 -8.226 1.00 0.00 H new ATOM 712 N ASP A 359 2.303 -13.210 -3.479 1.00 0.00 N ATOM 713 CA ASP A 359 2.899 -13.618 -2.176 1.00 0.00 C ATOM 714 C ASP A 359 4.329 -14.115 -2.401 1.00 0.00 C ATOM 715 O ASP A 359 4.657 -15.245 -2.098 1.00 0.00 O ATOM 716 CB ASP A 359 2.059 -14.740 -1.559 1.00 0.00 C ATOM 717 CG ASP A 359 0.928 -14.133 -0.729 1.00 0.00 C ATOM 718 OD1 ASP A 359 1.215 -13.613 0.338 1.00 0.00 O ATOM 719 OD2 ASP A 359 -0.207 -14.197 -1.173 1.00 0.00 O ATOM 0 H ASP A 359 1.945 -12.255 -3.510 1.00 0.00 H new ATOM 0 HA ASP A 359 2.915 -12.763 -1.501 1.00 0.00 H new ATOM 0 HB2 ASP A 359 1.648 -15.375 -2.344 1.00 0.00 H new ATOM 0 HB3 ASP A 359 2.685 -15.374 -0.931 1.00 0.00 H new ATOM 724 N PRO A 360 5.175 -13.270 -2.926 1.00 0.00 N ATOM 725 CA PRO A 360 6.599 -13.614 -3.196 1.00 0.00 C ATOM 726 C PRO A 360 7.446 -13.594 -1.917 1.00 0.00 C ATOM 727 O PRO A 360 7.039 -13.049 -0.910 1.00 0.00 O ATOM 728 CB PRO A 360 7.057 -12.518 -4.158 1.00 0.00 C ATOM 729 CG PRO A 360 6.196 -11.339 -3.844 1.00 0.00 C ATOM 730 CD PRO A 360 4.864 -11.887 -3.325 1.00 0.00 C ATOM 0 HA PRO A 360 6.708 -14.621 -3.600 1.00 0.00 H new ATOM 0 HB2 PRO A 360 8.112 -12.284 -4.016 1.00 0.00 H new ATOM 0 HB3 PRO A 360 6.936 -12.829 -5.196 1.00 0.00 H new ATOM 0 HG2 PRO A 360 6.670 -10.703 -3.096 1.00 0.00 H new ATOM 0 HG3 PRO A 360 6.042 -10.726 -4.732 1.00 0.00 H new ATOM 0 HD2 PRO A 360 4.494 -11.303 -2.482 1.00 0.00 H new ATOM 0 HD3 PRO A 360 4.094 -11.858 -4.096 1.00 0.00 H new ATOM 738 N PRO A 361 8.619 -14.176 -1.953 1.00 0.00 N ATOM 739 CA PRO A 361 9.525 -14.211 -0.772 1.00 0.00 C ATOM 740 C PRO A 361 9.689 -12.830 -0.125 1.00 0.00 C ATOM 741 O PRO A 361 10.029 -12.717 1.036 1.00 0.00 O ATOM 742 CB PRO A 361 10.864 -14.682 -1.341 1.00 0.00 C ATOM 743 CG PRO A 361 10.542 -15.408 -2.606 1.00 0.00 C ATOM 744 CD PRO A 361 9.204 -14.868 -3.115 1.00 0.00 C ATOM 0 HA PRO A 361 9.131 -14.859 0.011 1.00 0.00 H new ATOM 0 HB2 PRO A 361 11.525 -13.837 -1.534 1.00 0.00 H new ATOM 0 HB3 PRO A 361 11.379 -15.335 -0.637 1.00 0.00 H new ATOM 0 HG2 PRO A 361 11.326 -15.253 -3.348 1.00 0.00 H new ATOM 0 HG3 PRO A 361 10.480 -16.481 -2.427 1.00 0.00 H new ATOM 0 HD2 PRO A 361 9.344 -14.186 -3.954 1.00 0.00 H new ATOM 0 HD3 PRO A 361 8.558 -15.673 -3.464 1.00 0.00 H new ATOM 752 N LEU A 362 9.457 -11.780 -0.865 1.00 0.00 N ATOM 753 CA LEU A 362 9.608 -10.415 -0.283 1.00 0.00 C ATOM 754 C LEU A 362 8.723 -10.288 0.960 1.00 0.00 C ATOM 755 O LEU A 362 9.147 -9.791 1.982 1.00 0.00 O ATOM 756 CB LEU A 362 9.180 -9.369 -1.317 1.00 0.00 C ATOM 757 CG LEU A 362 10.008 -9.532 -2.594 1.00 0.00 C ATOM 758 CD1 LEU A 362 9.630 -8.434 -3.591 1.00 0.00 C ATOM 759 CD2 LEU A 362 11.496 -9.418 -2.254 1.00 0.00 C ATOM 0 H LEU A 362 9.171 -11.807 -1.844 1.00 0.00 H new ATOM 0 HA LEU A 362 10.650 -10.253 -0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 362 8.120 -9.481 -1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 362 9.315 -8.367 -0.911 1.00 0.00 H new ATOM 0 HG LEU A 362 9.808 -10.509 -3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 362 10.219 -8.550 -4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 362 8.570 -8.512 -3.833 1.00 0.00 H new ATOM 0 HD13 LEU A 362 9.831 -7.458 -3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 362 12.087 -9.534 -3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 362 11.695 -8.441 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 362 11.768 -10.198 -1.543 1.00 0.00 H new ATOM 771 N SER A 363 7.501 -10.749 0.876 1.00 0.00 N ATOM 772 CA SER A 363 6.577 -10.668 2.047 1.00 0.00 C ATOM 773 C SER A 363 6.788 -9.351 2.800 1.00 0.00 C ATOM 774 O SER A 363 6.481 -9.242 3.970 1.00 0.00 O ATOM 775 CB SER A 363 6.851 -11.840 2.990 1.00 0.00 C ATOM 776 OG SER A 363 6.450 -13.051 2.363 1.00 0.00 O ATOM 0 H SER A 363 7.102 -11.180 0.042 1.00 0.00 H new ATOM 0 HA SER A 363 5.548 -10.711 1.690 1.00 0.00 H new ATOM 0 HB2 SER A 363 7.911 -11.880 3.240 1.00 0.00 H new ATOM 0 HB3 SER A 363 6.308 -11.704 3.925 1.00 0.00 H new ATOM 0 HG SER A 363 6.626 -13.805 2.964 1.00 0.00 H new ATOM 782 N SER A 364 7.313 -8.351 2.142 1.00 0.00 N ATOM 783 CA SER A 364 7.546 -7.046 2.824 1.00 0.00 C ATOM 784 C SER A 364 7.048 -5.904 1.938 1.00 0.00 C ATOM 785 O SER A 364 7.023 -6.012 0.726 1.00 0.00 O ATOM 786 CB SER A 364 9.041 -6.872 3.090 1.00 0.00 C ATOM 787 OG SER A 364 9.507 -7.955 3.883 1.00 0.00 O ATOM 0 H SER A 364 7.590 -8.383 1.161 1.00 0.00 H new ATOM 0 HA SER A 364 7.003 -7.030 3.769 1.00 0.00 H new ATOM 0 HB2 SER A 364 9.588 -6.835 2.148 1.00 0.00 H new ATOM 0 HB3 SER A 364 9.223 -5.927 3.602 1.00 0.00 H new ATOM 0 HG SER A 364 9.690 -8.727 3.307 1.00 0.00 H new ATOM 793 N VAL A 365 6.657 -4.807 2.527 1.00 0.00 N ATOM 794 CA VAL A 365 6.170 -3.662 1.711 1.00 0.00 C ATOM 795 C VAL A 365 7.299 -2.624 1.574 1.00 0.00 C ATOM 796 O VAL A 365 7.664 -1.981 2.540 1.00 0.00 O ATOM 797 CB VAL A 365 4.976 -3.015 2.415 1.00 0.00 C ATOM 798 CG1 VAL A 365 4.055 -2.374 1.374 1.00 0.00 C ATOM 799 CG2 VAL A 365 4.202 -4.085 3.189 1.00 0.00 C ATOM 0 H VAL A 365 6.654 -4.655 3.536 1.00 0.00 H new ATOM 0 HA VAL A 365 5.870 -4.014 0.724 1.00 0.00 H new ATOM 0 HB VAL A 365 5.331 -2.250 3.105 1.00 0.00 H new ATOM 0 HG11 VAL A 365 3.204 -1.913 1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 365 4.606 -1.613 0.820 1.00 0.00 H new ATOM 0 HG13 VAL A 365 3.699 -3.139 0.684 1.00 0.00 H new ATOM 0 HG21 VAL A 365 3.351 -3.626 3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 365 3.847 -4.849 2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 365 4.857 -4.543 3.930 1.00 0.00 H new ATOM 809 N PRO A 366 7.852 -2.452 0.394 1.00 0.00 N ATOM 810 CA PRO A 366 8.948 -1.472 0.157 1.00 0.00 C ATOM 811 C PRO A 366 8.433 -0.045 -0.075 1.00 0.00 C ATOM 812 O PRO A 366 9.198 0.868 -0.306 1.00 0.00 O ATOM 813 CB PRO A 366 9.621 -2.010 -1.102 1.00 0.00 C ATOM 814 CG PRO A 366 8.522 -2.662 -1.873 1.00 0.00 C ATOM 815 CD PRO A 366 7.506 -3.172 -0.846 1.00 0.00 C ATOM 0 HA PRO A 366 9.612 -1.387 1.017 1.00 0.00 H new ATOM 0 HB2 PRO A 366 10.085 -1.208 -1.676 1.00 0.00 H new ATOM 0 HB3 PRO A 366 10.408 -2.723 -0.856 1.00 0.00 H new ATOM 0 HG2 PRO A 366 8.057 -1.953 -2.558 1.00 0.00 H new ATOM 0 HG3 PRO A 366 8.907 -3.483 -2.477 1.00 0.00 H new ATOM 0 HD2 PRO A 366 6.483 -2.959 -1.158 1.00 0.00 H new ATOM 0 HD3 PRO A 366 7.581 -4.251 -0.714 1.00 0.00 H new ATOM 823 N SER A 367 7.142 0.154 -0.019 1.00 0.00 N ATOM 824 CA SER A 367 6.590 1.519 -0.241 1.00 0.00 C ATOM 825 C SER A 367 7.157 2.478 0.805 1.00 0.00 C ATOM 826 O SER A 367 7.023 3.680 0.697 1.00 0.00 O ATOM 827 CB SER A 367 5.067 1.481 -0.123 1.00 0.00 C ATOM 828 OG SER A 367 4.705 1.274 1.235 1.00 0.00 O ATOM 0 H SER A 367 6.449 -0.570 0.171 1.00 0.00 H new ATOM 0 HA SER A 367 6.869 1.862 -1.237 1.00 0.00 H new ATOM 0 HB2 SER A 367 4.639 2.415 -0.487 1.00 0.00 H new ATOM 0 HB3 SER A 367 4.663 0.682 -0.745 1.00 0.00 H new ATOM 0 HG SER A 367 3.728 1.251 1.313 1.00 0.00 H new ATOM 834 N GLU A 368 7.793 1.958 1.819 1.00 0.00 N ATOM 835 CA GLU A 368 8.365 2.846 2.868 1.00 0.00 C ATOM 836 C GLU A 368 9.291 3.868 2.206 1.00 0.00 C ATOM 837 O GLU A 368 9.420 4.987 2.662 1.00 0.00 O ATOM 838 CB GLU A 368 9.163 2.006 3.869 1.00 0.00 C ATOM 839 CG GLU A 368 8.220 1.049 4.602 1.00 0.00 C ATOM 840 CD GLU A 368 7.194 1.854 5.403 1.00 0.00 C ATOM 841 OE1 GLU A 368 7.444 3.022 5.646 1.00 0.00 O ATOM 842 OE2 GLU A 368 6.174 1.286 5.760 1.00 0.00 O ATOM 0 H GLU A 368 7.941 0.959 1.965 1.00 0.00 H new ATOM 0 HA GLU A 368 7.561 3.363 3.392 1.00 0.00 H new ATOM 0 HB2 GLU A 368 9.938 1.442 3.350 1.00 0.00 H new ATOM 0 HB3 GLU A 368 9.667 2.656 4.585 1.00 0.00 H new ATOM 0 HG2 GLU A 368 7.712 0.403 3.886 1.00 0.00 H new ATOM 0 HG3 GLU A 368 8.789 0.401 5.268 1.00 0.00 H new ATOM 849 N ASP A 369 9.929 3.492 1.129 1.00 0.00 N ATOM 850 CA ASP A 369 10.840 4.435 0.425 1.00 0.00 C ATOM 851 C ASP A 369 10.377 4.590 -1.024 1.00 0.00 C ATOM 852 O ASP A 369 9.510 3.876 -1.487 1.00 0.00 O ATOM 853 CB ASP A 369 12.268 3.885 0.454 1.00 0.00 C ATOM 854 CG ASP A 369 12.329 2.560 -0.310 1.00 0.00 C ATOM 855 OD1 ASP A 369 11.371 2.248 -0.998 1.00 0.00 O ATOM 856 OD2 ASP A 369 13.332 1.878 -0.191 1.00 0.00 O ATOM 0 H ASP A 369 9.856 2.567 0.706 1.00 0.00 H new ATOM 0 HA ASP A 369 10.820 5.405 0.921 1.00 0.00 H new ATOM 0 HB2 ASP A 369 12.954 4.605 0.007 1.00 0.00 H new ATOM 0 HB3 ASP A 369 12.589 3.736 1.485 1.00 0.00 H new ATOM 861 N GLU A 370 10.945 5.516 -1.747 1.00 0.00 N ATOM 862 CA GLU A 370 10.529 5.706 -3.164 1.00 0.00 C ATOM 863 C GLU A 370 10.683 4.382 -3.914 1.00 0.00 C ATOM 864 O GLU A 370 11.630 3.651 -3.701 1.00 0.00 O ATOM 865 CB GLU A 370 11.421 6.765 -3.812 1.00 0.00 C ATOM 866 CG GLU A 370 11.232 8.100 -3.090 1.00 0.00 C ATOM 867 CD GLU A 370 12.101 9.170 -3.752 1.00 0.00 C ATOM 868 OE1 GLU A 370 12.955 8.806 -4.543 1.00 0.00 O ATOM 869 OE2 GLU A 370 11.899 10.337 -3.457 1.00 0.00 O ATOM 0 H GLU A 370 11.676 6.147 -1.419 1.00 0.00 H new ATOM 0 HA GLU A 370 9.489 6.030 -3.204 1.00 0.00 H new ATOM 0 HB2 GLU A 370 12.465 6.457 -3.762 1.00 0.00 H new ATOM 0 HB3 GLU A 370 11.170 6.871 -4.867 1.00 0.00 H new ATOM 0 HG2 GLU A 370 10.184 8.397 -3.123 1.00 0.00 H new ATOM 0 HG3 GLU A 370 11.502 7.998 -2.039 1.00 0.00 H new ATOM 876 N TRP A 371 9.760 4.066 -4.785 1.00 0.00 N ATOM 877 CA TRP A 371 9.855 2.783 -5.541 1.00 0.00 C ATOM 878 C TRP A 371 9.986 3.069 -7.034 1.00 0.00 C ATOM 879 O TRP A 371 9.154 3.734 -7.620 1.00 0.00 O ATOM 880 CB TRP A 371 8.594 1.955 -5.310 1.00 0.00 C ATOM 881 CG TRP A 371 8.977 0.525 -5.133 1.00 0.00 C ATOM 882 CD1 TRP A 371 9.339 -0.026 -3.959 1.00 0.00 C ATOM 883 CD2 TRP A 371 9.047 -0.536 -6.127 1.00 0.00 C ATOM 884 NE1 TRP A 371 9.628 -1.364 -4.162 1.00 0.00 N ATOM 885 CE2 TRP A 371 9.462 -1.726 -5.483 1.00 0.00 C ATOM 886 CE3 TRP A 371 8.794 -0.585 -7.510 1.00 0.00 C ATOM 887 CZ2 TRP A 371 9.620 -2.921 -6.185 1.00 0.00 C ATOM 888 CZ3 TRP A 371 8.952 -1.787 -8.218 1.00 0.00 C ATOM 889 CH2 TRP A 371 9.364 -2.952 -7.557 1.00 0.00 C ATOM 0 H TRP A 371 8.946 4.640 -5.005 1.00 0.00 H new ATOM 0 HA TRP A 371 10.730 2.234 -5.192 1.00 0.00 H new ATOM 0 HB2 TRP A 371 8.064 2.315 -4.428 1.00 0.00 H new ATOM 0 HB3 TRP A 371 7.914 2.061 -6.155 1.00 0.00 H new ATOM 0 HD1 TRP A 371 9.395 0.492 -3.013 1.00 0.00 H new ATOM 0 HE1 TRP A 371 9.927 -2.004 -3.426 1.00 0.00 H new ATOM 0 HE3 TRP A 371 8.477 0.307 -8.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 371 9.938 -3.816 -5.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 371 8.755 -1.814 -9.279 1.00 0.00 H new ATOM 0 HH2 TRP A 371 9.483 -3.873 -8.108 1.00 0.00 H new ATOM 900 N TYR A 372 11.012 2.557 -7.658 1.00 0.00 N ATOM 901 CA TYR A 372 11.182 2.783 -9.120 1.00 0.00 C ATOM 902 C TYR A 372 11.299 1.434 -9.832 1.00 0.00 C ATOM 903 O TYR A 372 12.243 0.695 -9.634 1.00 0.00 O ATOM 904 CB TYR A 372 12.449 3.603 -9.371 1.00 0.00 C ATOM 905 CG TYR A 372 12.347 4.926 -8.649 1.00 0.00 C ATOM 906 CD1 TYR A 372 11.530 5.942 -9.161 1.00 0.00 C ATOM 907 CD2 TYR A 372 13.068 5.137 -7.467 1.00 0.00 C ATOM 908 CE1 TYR A 372 11.434 7.167 -8.492 1.00 0.00 C ATOM 909 CE2 TYR A 372 12.972 6.364 -6.798 1.00 0.00 C ATOM 910 CZ TYR A 372 12.155 7.378 -7.311 1.00 0.00 C ATOM 911 OH TYR A 372 12.060 8.587 -6.654 1.00 0.00 O ATOM 0 H TYR A 372 11.739 1.993 -7.218 1.00 0.00 H new ATOM 0 HA TYR A 372 10.319 3.326 -9.505 1.00 0.00 H new ATOM 0 HB2 TYR A 372 13.324 3.054 -9.024 1.00 0.00 H new ATOM 0 HB3 TYR A 372 12.581 3.770 -10.440 1.00 0.00 H new ATOM 0 HD1 TYR A 372 10.974 5.780 -10.073 1.00 0.00 H new ATOM 0 HD2 TYR A 372 13.698 4.354 -7.071 1.00 0.00 H new ATOM 0 HE1 TYR A 372 10.803 7.950 -8.887 1.00 0.00 H new ATOM 0 HE2 TYR A 372 13.528 6.527 -5.887 1.00 0.00 H new ATOM 0 HH TYR A 372 12.754 8.640 -5.965 1.00 0.00 H new ATOM 921 N CYS A 373 10.359 1.121 -10.677 1.00 0.00 N ATOM 922 CA CYS A 373 10.421 -0.163 -11.424 1.00 0.00 C ATOM 923 C CYS A 373 11.698 -0.158 -12.276 1.00 0.00 C ATOM 924 O CYS A 373 12.251 0.890 -12.543 1.00 0.00 O ATOM 925 CB CYS A 373 9.186 -0.260 -12.323 1.00 0.00 C ATOM 926 SG CYS A 373 7.768 0.459 -11.460 1.00 0.00 S ATOM 0 H CYS A 373 9.547 1.702 -10.883 1.00 0.00 H new ATOM 0 HA CYS A 373 10.439 -1.016 -10.745 1.00 0.00 H new ATOM 0 HB2 CYS A 373 9.362 0.266 -13.261 1.00 0.00 H new ATOM 0 HB3 CYS A 373 8.985 -1.301 -12.574 1.00 0.00 H new ATOM 0 HG CYS A 373 7.143 1.274 -12.257 1.00 0.00 H new ATOM 931 N PRO A 374 12.177 -1.301 -12.699 1.00 0.00 N ATOM 932 CA PRO A 374 13.419 -1.374 -13.521 1.00 0.00 C ATOM 933 C PRO A 374 13.426 -0.337 -14.649 1.00 0.00 C ATOM 934 O PRO A 374 14.446 0.247 -14.957 1.00 0.00 O ATOM 935 CB PRO A 374 13.391 -2.791 -14.091 1.00 0.00 C ATOM 936 CG PRO A 374 12.608 -3.596 -13.107 1.00 0.00 C ATOM 937 CD PRO A 374 11.610 -2.640 -12.448 1.00 0.00 C ATOM 0 HA PRO A 374 14.312 -1.161 -12.933 1.00 0.00 H new ATOM 0 HB2 PRO A 374 12.923 -2.810 -15.075 1.00 0.00 H new ATOM 0 HB3 PRO A 374 14.399 -3.187 -14.210 1.00 0.00 H new ATOM 0 HG2 PRO A 374 12.088 -4.415 -13.604 1.00 0.00 H new ATOM 0 HG3 PRO A 374 13.266 -4.042 -12.361 1.00 0.00 H new ATOM 0 HD2 PRO A 374 10.615 -2.740 -12.883 1.00 0.00 H new ATOM 0 HD3 PRO A 374 11.513 -2.838 -11.381 1.00 0.00 H new ATOM 945 N GLU A 375 12.298 -0.088 -15.256 1.00 0.00 N ATOM 946 CA GLU A 375 12.255 0.929 -16.344 1.00 0.00 C ATOM 947 C GLU A 375 12.274 2.327 -15.720 1.00 0.00 C ATOM 948 O GLU A 375 12.849 3.254 -16.256 1.00 0.00 O ATOM 949 CB GLU A 375 10.986 0.742 -17.177 1.00 0.00 C ATOM 950 CG GLU A 375 9.784 1.214 -16.373 1.00 0.00 C ATOM 951 CD GLU A 375 8.494 0.848 -17.111 1.00 0.00 C ATOM 952 OE1 GLU A 375 8.590 0.351 -18.220 1.00 0.00 O ATOM 953 OE2 GLU A 375 7.433 1.072 -16.553 1.00 0.00 O ATOM 0 H GLU A 375 11.409 -0.542 -15.047 1.00 0.00 H new ATOM 0 HA GLU A 375 13.121 0.810 -16.995 1.00 0.00 H new ATOM 0 HB2 GLU A 375 11.061 1.306 -18.107 1.00 0.00 H new ATOM 0 HB3 GLU A 375 10.867 -0.307 -17.449 1.00 0.00 H new ATOM 0 HG2 GLU A 375 9.792 0.754 -15.385 1.00 0.00 H new ATOM 0 HG3 GLU A 375 9.835 2.292 -16.223 1.00 0.00 H new ATOM 960 N CYS A 376 11.651 2.478 -14.582 1.00 0.00 N ATOM 961 CA CYS A 376 11.628 3.802 -13.901 1.00 0.00 C ATOM 962 C CYS A 376 13.058 4.224 -13.562 1.00 0.00 C ATOM 963 O CYS A 376 13.379 5.395 -13.525 1.00 0.00 O ATOM 964 CB CYS A 376 10.792 3.701 -12.623 1.00 0.00 C ATOM 965 SG CYS A 376 9.036 3.826 -13.051 1.00 0.00 S ATOM 0 H CYS A 376 11.154 1.734 -14.092 1.00 0.00 H new ATOM 0 HA CYS A 376 11.184 4.548 -14.560 1.00 0.00 H new ATOM 0 HB2 CYS A 376 10.990 2.755 -12.118 1.00 0.00 H new ATOM 0 HB3 CYS A 376 11.067 4.496 -11.930 1.00 0.00 H new ATOM 0 HG CYS A 376 8.409 2.770 -12.625 1.00 0.00 H new ATOM 970 N ARG A 377 13.918 3.277 -13.311 1.00 0.00 N ATOM 971 CA ARG A 377 15.327 3.616 -12.968 1.00 0.00 C ATOM 972 C ARG A 377 15.971 4.350 -14.145 1.00 0.00 C ATOM 973 O ARG A 377 16.917 5.096 -13.982 1.00 0.00 O ATOM 974 CB ARG A 377 16.102 2.321 -12.703 1.00 0.00 C ATOM 975 CG ARG A 377 15.382 1.490 -11.638 1.00 0.00 C ATOM 976 CD ARG A 377 15.677 2.054 -10.245 1.00 0.00 C ATOM 977 NE ARG A 377 15.040 1.185 -9.215 1.00 0.00 N ATOM 978 CZ ARG A 377 15.485 -0.026 -9.011 1.00 0.00 C ATOM 979 NH1 ARG A 377 16.496 -0.475 -9.701 1.00 0.00 N ATOM 980 NH2 ARG A 377 14.918 -0.786 -8.115 1.00 0.00 N ATOM 0 H ARG A 377 13.705 2.280 -13.329 1.00 0.00 H new ATOM 0 HA ARG A 377 15.348 4.251 -12.082 1.00 0.00 H new ATOM 0 HB2 ARG A 377 16.193 1.746 -13.625 1.00 0.00 H new ATOM 0 HB3 ARG A 377 17.114 2.554 -12.372 1.00 0.00 H new ATOM 0 HG2 ARG A 377 14.308 1.499 -11.823 1.00 0.00 H new ATOM 0 HG3 ARG A 377 15.707 0.451 -11.695 1.00 0.00 H new ATOM 0 HD2 ARG A 377 16.753 2.103 -10.081 1.00 0.00 H new ATOM 0 HD3 ARG A 377 15.296 3.072 -10.164 1.00 0.00 H new ATOM 0 HE ARG A 377 14.254 1.537 -8.668 1.00 0.00 H new ATOM 0 HH11 ARG A 377 16.940 0.120 -10.401 1.00 0.00 H new ATOM 0 HH12 ARG A 377 16.843 -1.421 -9.541 1.00 0.00 H new ATOM 0 HH21 ARG A 377 14.128 -0.434 -7.574 1.00 0.00 H new ATOM 0 HH22 ARG A 377 15.265 -1.732 -7.955 1.00 0.00 H new ATOM 994 N ASN A 378 15.466 4.148 -15.332 1.00 0.00 N ATOM 995 CA ASN A 378 16.049 4.838 -16.517 1.00 0.00 C ATOM 996 C ASN A 378 16.064 6.347 -16.272 1.00 0.00 C ATOM 997 O ASN A 378 16.978 7.042 -16.670 1.00 0.00 O ATOM 998 CB ASN A 378 15.202 4.530 -17.753 1.00 0.00 C ATOM 999 CG ASN A 378 15.952 4.975 -19.010 1.00 0.00 C ATOM 1000 OD1 ASN A 378 17.016 4.470 -19.307 1.00 0.00 O ATOM 1001 ND2 ASN A 378 15.439 5.907 -19.766 1.00 0.00 N ATOM 0 H ASN A 378 14.675 3.535 -15.532 1.00 0.00 H new ATOM 0 HA ASN A 378 17.068 4.486 -16.678 1.00 0.00 H new ATOM 0 HB2 ASN A 378 14.988 3.462 -17.803 1.00 0.00 H new ATOM 0 HB3 ASN A 378 14.243 5.045 -17.687 1.00 0.00 H new ATOM 0 HD21 ASN A 378 15.932 6.211 -20.606 1.00 0.00 H new ATOM 0 HD22 ASN A 378 14.546 6.331 -19.517 1.00 0.00 H new ATOM 1008 N ASP A 379 15.058 6.860 -15.620 1.00 0.00 N ATOM 1009 CA ASP A 379 15.014 8.325 -15.350 1.00 0.00 C ATOM 1010 C ASP A 379 15.965 8.660 -14.200 1.00 0.00 C ATOM 1011 O ASP A 379 17.010 8.037 -14.121 1.00 0.00 O ATOM 1012 CB ASP A 379 13.588 8.730 -14.967 1.00 0.00 C ATOM 1013 CG ASP A 379 13.510 10.252 -14.829 1.00 0.00 C ATOM 1014 OD1 ASP A 379 14.493 10.906 -15.138 1.00 0.00 O ATOM 1015 OD2 ASP A 379 12.468 10.737 -14.419 1.00 0.00 O ATOM 1016 OXT ASP A 379 15.633 9.536 -13.419 1.00 0.00 O ATOM 0 H ASP A 379 14.264 6.329 -15.262 1.00 0.00 H new ATOM 0 HA ASP A 379 15.319 8.869 -16.244 1.00 0.00 H new ATOM 0 HB2 ASP A 379 12.885 8.386 -15.726 1.00 0.00 H new ATOM 0 HB3 ASP A 379 13.303 8.254 -14.029 1.00 0.00 H new ATOM 1022 N ALA B 383 7.296 6.522 -1.290 1.00 0.00 N ATOM 1023 CA ALA B 383 6.609 5.951 -2.482 1.00 0.00 C ATOM 1024 C ALA B 383 5.143 6.387 -2.484 1.00 0.00 C ATOM 1025 O ALA B 383 4.731 7.202 -1.683 1.00 0.00 O ATOM 1026 CB ALA B 383 6.683 4.425 -2.430 1.00 0.00 C ATOM 0 HA ALA B 383 7.097 6.310 -3.388 1.00 0.00 H new ATOM 0 HB1 ALA B 383 6.180 4.006 -3.302 1.00 0.00 H new ATOM 0 HB2 ALA B 383 7.727 4.111 -2.427 1.00 0.00 H new ATOM 0 HB3 ALA B 383 6.195 4.068 -1.523 1.00 0.00 H new ATOM 1034 N ARG B 384 4.355 5.850 -3.379 1.00 0.00 N ATOM 1035 CA ARG B 384 2.915 6.234 -3.432 1.00 0.00 C ATOM 1036 C ARG B 384 2.037 4.981 -3.412 1.00 0.00 C ATOM 1037 O ARG B 384 2.153 4.115 -4.254 1.00 0.00 O ATOM 1038 CB ARG B 384 2.643 7.018 -4.715 1.00 0.00 C ATOM 1039 CG ARG B 384 1.159 7.379 -4.766 1.00 0.00 C ATOM 1040 CD ARG B 384 0.909 8.407 -5.873 1.00 0.00 C ATOM 1041 NE ARG B 384 1.037 7.757 -7.209 1.00 0.00 N ATOM 1042 CZ ARG B 384 0.133 6.904 -7.611 1.00 0.00 C ATOM 1043 NH1 ARG B 384 -0.866 6.594 -6.830 1.00 0.00 N ATOM 1044 NH2 ARG B 384 0.229 6.359 -8.795 1.00 0.00 N ATOM 0 H ARG B 384 4.647 5.163 -4.074 1.00 0.00 H new ATOM 0 HA ARG B 384 2.681 6.851 -2.565 1.00 0.00 H new ATOM 0 HB2 ARG B 384 3.252 7.921 -4.742 1.00 0.00 H new ATOM 0 HB3 ARG B 384 2.917 6.423 -5.586 1.00 0.00 H new ATOM 0 HG2 ARG B 384 0.564 6.484 -4.948 1.00 0.00 H new ATOM 0 HG3 ARG B 384 0.841 7.783 -3.805 1.00 0.00 H new ATOM 0 HD2 ARG B 384 -0.086 8.838 -5.763 1.00 0.00 H new ATOM 0 HD3 ARG B 384 1.623 9.226 -5.788 1.00 0.00 H new ATOM 0 HE ARG B 384 1.831 7.979 -7.809 1.00 0.00 H new ATOM 0 HH11 ARG B 384 -0.941 7.018 -5.905 1.00 0.00 H new ATOM 0 HH12 ARG B 384 -1.572 5.928 -7.144 1.00 0.00 H new ATOM 0 HH21 ARG B 384 1.010 6.600 -9.405 1.00 0.00 H new ATOM 0 HH22 ARG B 384 -0.477 5.693 -9.109 1.00 0.00 H new ATOM 1058 N THR B 385 1.147 4.888 -2.460 1.00 0.00 N ATOM 1059 CA THR B 385 0.249 3.701 -2.387 1.00 0.00 C ATOM 1060 C THR B 385 -1.187 4.164 -2.140 1.00 0.00 C ATOM 1061 O THR B 385 -1.421 5.246 -1.638 1.00 0.00 O ATOM 1062 CB THR B 385 0.690 2.799 -1.234 1.00 0.00 C ATOM 1063 OG1 THR B 385 0.400 3.440 0.001 1.00 0.00 O ATOM 1064 CG2 THR B 385 2.192 2.538 -1.334 1.00 0.00 C ATOM 0 H THR B 385 1.004 5.585 -1.729 1.00 0.00 H new ATOM 0 HA THR B 385 0.301 3.149 -3.326 1.00 0.00 H new ATOM 0 HB THR B 385 0.155 1.851 -1.288 1.00 0.00 H new ATOM 0 HG1 THR B 385 0.680 2.864 0.742 1.00 0.00 H new ATOM 0 HG21 THR B 385 2.505 1.895 -0.511 1.00 0.00 H new ATOM 0 HG22 THR B 385 2.414 2.048 -2.282 1.00 0.00 H new ATOM 0 HG23 THR B 385 2.730 3.484 -1.280 1.00 0.00 H new ATOM 1072 N LYS B 386 -2.153 3.349 -2.467 1.00 0.00 N ATOM 1073 CA LYS B 386 -3.566 3.747 -2.221 1.00 0.00 C ATOM 1074 C LYS B 386 -3.947 3.358 -0.794 1.00 0.00 C ATOM 1075 O LYS B 386 -5.032 3.638 -0.331 1.00 0.00 O ATOM 1076 CB LYS B 386 -4.493 3.047 -3.219 1.00 0.00 C ATOM 1077 CG LYS B 386 -4.119 3.450 -4.650 1.00 0.00 C ATOM 1078 CD LYS B 386 -4.317 4.959 -4.829 1.00 0.00 C ATOM 1079 CE LYS B 386 -4.505 5.285 -6.312 1.00 0.00 C ATOM 1080 NZ LYS B 386 -3.924 4.193 -7.143 1.00 0.00 N ATOM 0 H LYS B 386 -2.025 2.430 -2.891 1.00 0.00 H new ATOM 0 HA LYS B 386 -3.670 4.824 -2.350 1.00 0.00 H new ATOM 0 HB2 LYS B 386 -4.415 1.966 -3.104 1.00 0.00 H new ATOM 0 HB3 LYS B 386 -5.530 3.315 -3.016 1.00 0.00 H new ATOM 0 HG2 LYS B 386 -3.082 3.183 -4.854 1.00 0.00 H new ATOM 0 HG3 LYS B 386 -4.736 2.905 -5.365 1.00 0.00 H new ATOM 0 HD2 LYS B 386 -5.186 5.291 -4.261 1.00 0.00 H new ATOM 0 HD3 LYS B 386 -3.455 5.497 -4.435 1.00 0.00 H new ATOM 0 HE2 LYS B 386 -5.565 5.402 -6.537 1.00 0.00 H new ATOM 0 HE3 LYS B 386 -4.022 6.233 -6.550 1.00 0.00 H new ATOM 0 HZ1 LYS B 386 -3.868 4.503 -8.134 1.00 0.00 H new ATOM 0 HZ2 LYS B 386 -2.970 3.964 -6.797 1.00 0.00 H new ATOM 0 HZ3 LYS B 386 -4.528 3.349 -7.078 1.00 0.00 H new ATOM 1094 N GLN B 387 -3.049 2.730 -0.086 1.00 0.00 N ATOM 1095 CA GLN B 387 -3.349 2.343 1.320 1.00 0.00 C ATOM 1096 C GLN B 387 -3.698 3.608 2.099 1.00 0.00 C ATOM 1097 O GLN B 387 -4.448 3.586 3.054 1.00 0.00 O ATOM 1098 CB GLN B 387 -2.109 1.698 1.945 1.00 0.00 C ATOM 1099 CG GLN B 387 -1.771 0.402 1.208 1.00 0.00 C ATOM 1100 CD GLN B 387 -0.469 -0.175 1.765 1.00 0.00 C ATOM 1101 OE1 GLN B 387 0.255 0.498 2.473 1.00 0.00 O ATOM 1102 NE2 GLN B 387 -0.136 -1.402 1.473 1.00 0.00 N ATOM 0 H GLN B 387 -2.122 2.469 -0.420 1.00 0.00 H new ATOM 0 HA GLN B 387 -4.178 1.636 1.347 1.00 0.00 H new ATOM 0 HB2 GLN B 387 -1.265 2.386 1.894 1.00 0.00 H new ATOM 0 HB3 GLN B 387 -2.288 1.491 3.000 1.00 0.00 H new ATOM 0 HG2 GLN B 387 -2.581 -0.318 1.326 1.00 0.00 H new ATOM 0 HG3 GLN B 387 -1.669 0.594 0.140 1.00 0.00 H new ATOM 0 HE21 GLN B 387 -0.743 -1.968 0.879 1.00 0.00 H new ATOM 0 HE22 GLN B 387 0.731 -1.796 1.839 1.00 0.00 H new ATOM 1111 N THR B 388 -3.134 4.709 1.693 1.00 0.00 N ATOM 1112 CA THR B 388 -3.388 5.999 2.390 1.00 0.00 C ATOM 1113 C THR B 388 -4.841 6.442 2.174 1.00 0.00 C ATOM 1114 O THR B 388 -5.362 7.255 2.912 1.00 0.00 O ATOM 1115 CB THR B 388 -2.440 7.055 1.817 1.00 0.00 C ATOM 1116 OG1 THR B 388 -2.902 7.456 0.535 1.00 0.00 O ATOM 1117 CG2 THR B 388 -1.036 6.456 1.686 1.00 0.00 C ATOM 0 H THR B 388 -2.499 4.771 0.897 1.00 0.00 H new ATOM 0 HA THR B 388 -3.217 5.877 3.460 1.00 0.00 H new ATOM 0 HB THR B 388 -2.409 7.919 2.481 1.00 0.00 H new ATOM 0 HG1 THR B 388 -2.297 8.134 0.167 1.00 0.00 H new ATOM 0 HG21 THR B 388 -0.357 7.205 1.278 1.00 0.00 H new ATOM 0 HG22 THR B 388 -0.682 6.141 2.668 1.00 0.00 H new ATOM 0 HG23 THR B 388 -1.069 5.595 1.019 1.00 0.00 H new ATOM 1125 N ALA B 389 -5.500 5.924 1.171 1.00 0.00 N ATOM 1126 CA ALA B 389 -6.915 6.334 0.925 1.00 0.00 C ATOM 1127 C ALA B 389 -7.747 5.119 0.504 1.00 0.00 C ATOM 1128 O ALA B 389 -7.233 4.163 -0.039 1.00 0.00 O ATOM 1129 CB ALA B 389 -6.953 7.385 -0.187 1.00 0.00 C ATOM 0 H ALA B 389 -5.123 5.239 0.515 1.00 0.00 H new ATOM 0 HA ALA B 389 -7.331 6.752 1.842 1.00 0.00 H new ATOM 0 HB1 ALA B 389 -7.985 7.686 -0.368 1.00 0.00 H new ATOM 0 HB2 ALA B 389 -6.369 8.255 0.114 1.00 0.00 H new ATOM 0 HB3 ALA B 389 -6.532 6.964 -1.100 1.00 0.00 H new ATOM 1135 N ARG B 390 -9.031 5.152 0.752 1.00 0.00 N ATOM 1136 CA ARG B 390 -9.898 3.999 0.368 1.00 0.00 C ATOM 1137 C ARG B 390 -11.081 4.502 -0.464 1.00 0.00 C ATOM 1138 O ARG B 390 -11.634 5.553 -0.203 1.00 0.00 O ATOM 1139 CB ARG B 390 -10.424 3.319 1.634 1.00 0.00 C ATOM 1140 CG ARG B 390 -9.249 2.755 2.435 1.00 0.00 C ATOM 1141 CD ARG B 390 -9.779 1.987 3.648 1.00 0.00 C ATOM 1142 NE ARG B 390 -8.646 1.649 4.554 1.00 0.00 N ATOM 1143 CZ ARG B 390 -7.748 0.779 4.180 1.00 0.00 C ATOM 1144 NH1 ARG B 390 -7.845 0.201 3.014 1.00 0.00 N ATOM 1145 NH2 ARG B 390 -6.753 0.488 4.972 1.00 0.00 N ATOM 0 H ARG B 390 -9.516 5.927 1.204 1.00 0.00 H new ATOM 0 HA ARG B 390 -9.317 3.287 -0.219 1.00 0.00 H new ATOM 0 HB2 ARG B 390 -10.981 4.034 2.239 1.00 0.00 H new ATOM 0 HB3 ARG B 390 -11.115 2.519 1.370 1.00 0.00 H new ATOM 0 HG2 ARG B 390 -8.650 2.095 1.807 1.00 0.00 H new ATOM 0 HG3 ARG B 390 -8.596 3.564 2.761 1.00 0.00 H new ATOM 0 HD2 ARG B 390 -10.517 2.589 4.179 1.00 0.00 H new ATOM 0 HD3 ARG B 390 -10.284 1.077 3.324 1.00 0.00 H new ATOM 0 HE ARG B 390 -8.572 2.098 5.467 1.00 0.00 H new ATOM 0 HH11 ARG B 390 -8.623 0.429 2.395 1.00 0.00 H new ATOM 0 HH12 ARG B 390 -7.143 -0.479 2.722 1.00 0.00 H new ATOM 0 HH21 ARG B 390 -6.677 0.940 5.883 1.00 0.00 H new ATOM 0 HH22 ARG B 390 -6.051 -0.192 4.680 1.00 0.00 H new ATOM 1159 N LYS B 391 -11.480 3.757 -1.461 1.00 0.00 N ATOM 1160 CA LYS B 391 -12.632 4.190 -2.303 1.00 0.00 C ATOM 1161 C LYS B 391 -13.380 2.958 -2.818 1.00 0.00 C ATOM 1162 O LYS B 391 -13.078 2.431 -3.870 1.00 0.00 O ATOM 1163 CB LYS B 391 -12.122 5.012 -3.488 1.00 0.00 C ATOM 1164 CG LYS B 391 -11.500 6.314 -2.979 1.00 0.00 C ATOM 1165 CD LYS B 391 -11.107 7.196 -4.165 1.00 0.00 C ATOM 1166 CE LYS B 391 -10.402 8.454 -3.655 1.00 0.00 C ATOM 1167 NZ LYS B 391 -9.333 8.068 -2.691 1.00 0.00 N ATOM 0 H LYS B 391 -11.058 2.868 -1.728 1.00 0.00 H new ATOM 0 HA LYS B 391 -13.308 4.801 -1.705 1.00 0.00 H new ATOM 0 HB2 LYS B 391 -11.384 4.440 -4.050 1.00 0.00 H new ATOM 0 HB3 LYS B 391 -12.942 5.232 -4.171 1.00 0.00 H new ATOM 0 HG2 LYS B 391 -12.209 6.841 -2.340 1.00 0.00 H new ATOM 0 HG3 LYS B 391 -10.623 6.095 -2.370 1.00 0.00 H new ATOM 0 HD2 LYS B 391 -10.450 6.646 -4.839 1.00 0.00 H new ATOM 0 HD3 LYS B 391 -11.993 7.470 -4.737 1.00 0.00 H new ATOM 0 HE2 LYS B 391 -9.971 9.006 -4.490 1.00 0.00 H new ATOM 0 HE3 LYS B 391 -11.121 9.116 -3.172 1.00 0.00 H new ATOM 0 HZ1 LYS B 391 -8.629 8.831 -2.629 1.00 0.00 H new ATOM 0 HZ2 LYS B 391 -9.753 7.907 -1.753 1.00 0.00 H new ATOM 0 HZ3 LYS B 391 -8.870 7.196 -3.017 1.00 0.00 H new ATOM 1181 N SER B 392 -14.356 2.496 -2.085 1.00 0.00 N ATOM 1182 CA SER B 392 -15.127 1.300 -2.531 1.00 0.00 C ATOM 1183 C SER B 392 -16.536 1.352 -1.936 1.00 0.00 C ATOM 1184 O SER B 392 -16.833 2.171 -1.090 1.00 0.00 O ATOM 1185 CB SER B 392 -14.419 0.030 -2.057 1.00 0.00 C ATOM 1186 OG SER B 392 -14.540 -0.075 -0.645 1.00 0.00 O ATOM 0 H SER B 392 -14.653 2.896 -1.195 1.00 0.00 H new ATOM 0 HA SER B 392 -15.192 1.294 -3.619 1.00 0.00 H new ATOM 0 HB2 SER B 392 -14.857 -0.845 -2.537 1.00 0.00 H new ATOM 0 HB3 SER B 392 -13.367 0.058 -2.343 1.00 0.00 H new ATOM 0 HG SER B 392 -13.696 -0.399 -0.268 1.00 0.00 H new