USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 635 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 417 HIS :FLIP no HE2:sc= -0.256 F(o=-3.5,f=-1.6) USER MOD Set 1.2: A 421 CYS SG : rot 119:sc= -0.0669 USER MOD Set 1.3: A 426 CYS SG : rot 140:sc= -1.56 USER MOD Set 1.4: A 429 CYS SG : rot 14:sc= 0.26 USER MOD Set 2.1: A 401 LYS NZ :NH3+ 163:sc= 1.04 (180deg=0) USER MOD Set 2.2: A 413 GLN : amide:sc= 0.737 K(o=1.8,f=-2.3) USER MOD Set 3.1: A 393 HIS : no HE2:sc= -1.3 X(o=-0.6,f=-0.2) USER MOD Set 3.2: A 397 CYS SG : rot 113:sc= 0.251 USER MOD Set 3.3: A 403 CYS SG : rot -61:sc= 0.628 USER MOD Set 3.4: A 408 CYS SG : rot -142:sc= -0.175 USER MOD Set 4.1: A 392 ASN : amide:sc= 0 K(o=0.78,f=0.13) USER MOD Set 4.2: A 396 HIS : no HE2:sc= 0.78 K(o=0.78,f=-2.4!) USER MOD Set 5.1: A 394 MET CE :methyl -177:sc= -0.262 (180deg=-0.163) USER MOD Set 5.2: A 411 SER OG : rot -46:sc= 0.854 USER MOD Set 6.1: A 362 HIS : no HE2:sc= -0.8 X(o=-1.2,f=-0.91) USER MOD Set 6.2: A 366 CYS SG : rot -153:sc= -0.868 USER MOD Set 6.3: A 384 CYS SG : rot 133:sc= -0.236 USER MOD Set 6.4: A 388 LYS NZ :NH3+ 178:sc= 0.689 (180deg=0.149) USER MOD Set 7.1: A 356 GLN : amide:sc= 1.84 K(o=2.9,f=0.37) USER MOD Set 7.2: A 387 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 7.3: A 407 HIS : no HE2:sc= 1.02 K(o=2.9,f=-4.8!) USER MOD Single : A 349 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 351 LYS NZ :NH3+ 175:sc= 1.2 (180deg=1.11) USER MOD Single : A 354 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 355 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 364 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 365 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 367 GLN : amide:sc= 0.577 K(o=0.58,f=0) USER MOD Single : A 371 GLN : amide:sc= -0.0202 X(o=-0.02,f=-0.025) USER MOD Single : A 383 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 386 THR OG1 : rot 180:sc= 0 USER MOD Single : A 389 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 395 THR OG1 : rot -36:sc= 1.28 USER MOD Single : A 398 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 404 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 410 SER OG : rot 84:sc= 0.771 USER MOD Single : A 416 SER OG : rot 180:sc= 0 USER MOD Single : A 419 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.168) USER MOD Single : A 420 ASN : amide:sc= 0.935 K(o=0.94,f=0) USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 424 HIS : no HE2:sc= 0.533 K(o=0.53,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 84 N PRO A 347 4.842 -15.931 15.420 1.00 0.00 N ATOM 85 CA PRO A 347 4.092 -14.673 15.402 1.00 0.00 C ATOM 86 C PRO A 347 4.844 -13.440 14.896 1.00 0.00 C ATOM 87 O PRO A 347 4.222 -12.574 14.289 1.00 0.00 O ATOM 88 CB PRO A 347 3.620 -14.438 16.839 1.00 0.00 C ATOM 89 CG PRO A 347 3.562 -15.844 17.426 1.00 0.00 C ATOM 90 CD PRO A 347 4.735 -16.543 16.737 1.00 0.00 C ATOM 0 HA PRO A 347 3.284 -14.790 14.680 1.00 0.00 H new ATOM 0 HB2 PRO A 347 4.312 -13.801 17.390 1.00 0.00 H new ATOM 0 HB3 PRO A 347 2.646 -13.950 16.867 1.00 0.00 H new ATOM 0 HG2 PRO A 347 3.676 -15.835 18.510 1.00 0.00 H new ATOM 0 HG3 PRO A 347 2.613 -16.335 17.209 1.00 0.00 H new ATOM 0 HD2 PRO A 347 5.656 -16.413 17.305 1.00 0.00 H new ATOM 0 HD3 PRO A 347 4.559 -17.616 16.657 1.00 0.00 H new ATOM 98 N GLU A 348 6.162 -13.333 15.078 1.00 0.00 N ATOM 99 CA GLU A 348 6.914 -12.180 14.568 1.00 0.00 C ATOM 100 C GLU A 348 6.999 -12.194 13.047 1.00 0.00 C ATOM 101 O GLU A 348 6.939 -11.139 12.425 1.00 0.00 O ATOM 102 CB GLU A 348 8.274 -12.010 15.242 1.00 0.00 C ATOM 103 CG GLU A 348 8.965 -10.699 14.825 1.00 0.00 C ATOM 104 CD GLU A 348 9.726 -10.068 16.002 1.00 0.00 C ATOM 105 OE1 GLU A 348 9.070 -9.375 16.821 1.00 0.00 O ATOM 106 OE2 GLU A 348 10.963 -10.251 16.115 1.00 0.00 O ATOM 0 H GLU A 348 6.729 -14.024 15.570 1.00 0.00 H new ATOM 0 HA GLU A 348 6.348 -11.289 14.841 1.00 0.00 H new ATOM 0 HB2 GLU A 348 8.146 -12.024 16.324 1.00 0.00 H new ATOM 0 HB3 GLU A 348 8.914 -12.854 14.985 1.00 0.00 H new ATOM 0 HG2 GLU A 348 9.657 -10.895 14.006 1.00 0.00 H new ATOM 0 HG3 GLU A 348 8.220 -9.996 14.452 1.00 0.00 H new ATOM 113 N LYS A 349 7.008 -13.379 12.435 1.00 0.00 N ATOM 114 CA LYS A 349 6.923 -13.533 10.988 1.00 0.00 C ATOM 115 C LYS A 349 5.529 -13.086 10.540 1.00 0.00 C ATOM 116 O LYS A 349 5.441 -12.377 9.553 1.00 0.00 O ATOM 117 CB LYS A 349 7.290 -14.971 10.595 1.00 0.00 C ATOM 118 CG LYS A 349 8.798 -15.215 10.782 1.00 0.00 C ATOM 119 CD LYS A 349 9.148 -16.685 10.528 1.00 0.00 C ATOM 120 CE LYS A 349 10.647 -16.934 10.729 1.00 0.00 C ATOM 121 NZ LYS A 349 10.944 -18.389 10.774 1.00 0.00 N ATOM 0 H LYS A 349 7.075 -14.264 12.937 1.00 0.00 H new ATOM 0 HA LYS A 349 7.642 -12.901 10.467 1.00 0.00 H new ATOM 0 HB2 LYS A 349 6.724 -15.676 11.204 1.00 0.00 H new ATOM 0 HB3 LYS A 349 7.013 -15.152 9.557 1.00 0.00 H new ATOM 0 HG2 LYS A 349 9.361 -14.579 10.099 1.00 0.00 H new ATOM 0 HG3 LYS A 349 9.093 -14.936 11.793 1.00 0.00 H new ATOM 0 HD2 LYS A 349 8.576 -17.321 11.204 1.00 0.00 H new ATOM 0 HD3 LYS A 349 8.863 -16.961 9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 349 11.208 -16.470 9.918 1.00 0.00 H new ATOM 0 HE3 LYS A 349 10.976 -16.463 11.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 11.965 -18.531 10.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 10.425 -18.825 11.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 10.650 -18.831 9.880 1.00 0.00 H new ATOM 135 N ARG A 350 4.460 -13.390 11.295 1.00 0.00 N ATOM 136 CA ARG A 350 3.074 -12.919 11.043 1.00 0.00 C ATOM 137 C ARG A 350 2.990 -11.398 10.948 1.00 0.00 C ATOM 138 O ARG A 350 2.687 -10.877 9.873 1.00 0.00 O ATOM 139 CB ARG A 350 2.058 -13.486 12.066 1.00 0.00 C ATOM 140 CG ARG A 350 2.146 -14.998 12.316 1.00 0.00 C ATOM 141 CD ARG A 350 1.683 -15.833 11.126 1.00 0.00 C ATOM 142 NE ARG A 350 2.062 -17.249 11.289 1.00 0.00 N ATOM 143 CZ ARG A 350 1.388 -18.216 11.881 1.00 0.00 C ATOM 144 NH1 ARG A 350 0.212 -18.040 12.416 1.00 0.00 N ATOM 145 NH2 ARG A 350 1.916 -19.402 11.937 1.00 0.00 N ATOM 0 H ARG A 350 4.530 -13.985 12.120 1.00 0.00 H new ATOM 0 HA ARG A 350 2.792 -13.317 10.068 1.00 0.00 H new ATOM 0 HB2 ARG A 350 2.198 -12.970 13.016 1.00 0.00 H new ATOM 0 HB3 ARG A 350 1.051 -13.250 11.721 1.00 0.00 H new ATOM 0 HG2 ARG A 350 3.176 -15.260 12.557 1.00 0.00 H new ATOM 0 HG3 ARG A 350 1.541 -15.251 13.187 1.00 0.00 H new ATOM 0 HD2 ARG A 350 0.601 -15.753 11.021 1.00 0.00 H new ATOM 0 HD3 ARG A 350 2.122 -15.439 10.209 1.00 0.00 H new ATOM 0 HE ARG A 350 2.963 -17.515 10.892 1.00 0.00 H new ATOM 0 HH11 ARG A 350 -0.228 -17.120 12.388 1.00 0.00 H new ATOM 0 HH12 ARG A 350 -0.267 -18.822 12.862 1.00 0.00 H new ATOM 0 HH21 ARG A 350 2.835 -19.571 11.528 1.00 0.00 H new ATOM 0 HH22 ARG A 350 1.412 -20.164 12.390 1.00 0.00 H new ATOM 159 N LYS A 351 3.302 -10.688 12.040 1.00 0.00 N ATOM 160 CA LYS A 351 3.322 -9.207 12.070 1.00 0.00 C ATOM 161 C LYS A 351 4.276 -8.637 11.020 1.00 0.00 C ATOM 162 O LYS A 351 3.893 -7.699 10.325 1.00 0.00 O ATOM 163 CB LYS A 351 3.610 -8.599 13.459 1.00 0.00 C ATOM 164 CG LYS A 351 4.428 -9.504 14.378 1.00 0.00 C ATOM 165 CD LYS A 351 5.236 -8.741 15.441 1.00 0.00 C ATOM 166 CE LYS A 351 5.390 -9.536 16.746 1.00 0.00 C ATOM 167 NZ LYS A 351 6.419 -8.937 17.640 1.00 0.00 N ATOM 0 H LYS A 351 3.549 -11.118 12.931 1.00 0.00 H new ATOM 0 HA LYS A 351 2.303 -8.909 11.823 1.00 0.00 H new ATOM 0 HB2 LYS A 351 4.141 -7.656 13.328 1.00 0.00 H new ATOM 0 HB3 LYS A 351 2.663 -8.366 13.945 1.00 0.00 H new ATOM 0 HG2 LYS A 351 3.756 -10.202 14.877 1.00 0.00 H new ATOM 0 HG3 LYS A 351 5.112 -10.098 13.772 1.00 0.00 H new ATOM 0 HD2 LYS A 351 6.224 -8.507 15.043 1.00 0.00 H new ATOM 0 HD3 LYS A 351 4.745 -7.791 15.654 1.00 0.00 H new ATOM 0 HE2 LYS A 351 4.433 -9.570 17.266 1.00 0.00 H new ATOM 0 HE3 LYS A 351 5.664 -10.565 16.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 6.434 -9.450 18.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 7.353 -9.004 17.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 6.189 -7.938 17.813 1.00 0.00 H new ATOM 181 N LEU A 352 5.487 -9.190 10.874 1.00 0.00 N ATOM 182 CA LEU A 352 6.443 -8.678 9.884 1.00 0.00 C ATOM 183 C LEU A 352 5.881 -8.821 8.454 1.00 0.00 C ATOM 184 O LEU A 352 5.943 -7.858 7.690 1.00 0.00 O ATOM 185 CB LEU A 352 7.780 -9.447 9.974 1.00 0.00 C ATOM 186 CG LEU A 352 8.863 -8.903 10.938 1.00 0.00 C ATOM 187 CD1 LEU A 352 10.259 -9.170 10.373 1.00 0.00 C ATOM 188 CD2 LEU A 352 8.754 -7.426 11.317 1.00 0.00 C ATOM 0 H LEU A 352 5.825 -9.982 11.421 1.00 0.00 H new ATOM 0 HA LEU A 352 6.611 -7.623 10.102 1.00 0.00 H new ATOM 0 HB2 LEU A 352 7.557 -10.473 10.266 1.00 0.00 H new ATOM 0 HB3 LEU A 352 8.211 -9.487 8.974 1.00 0.00 H new ATOM 0 HG LEU A 352 8.686 -9.451 11.864 1.00 0.00 H new ATOM 0 HD11 LEU A 352 11.010 -8.782 11.061 1.00 0.00 H new ATOM 0 HD12 LEU A 352 10.402 -10.243 10.247 1.00 0.00 H new ATOM 0 HD13 LEU A 352 10.361 -8.675 9.407 1.00 0.00 H new ATOM 0 HD21 LEU A 352 9.566 -7.163 11.995 1.00 0.00 H new ATOM 0 HD22 LEU A 352 8.820 -6.814 10.418 1.00 0.00 H new ATOM 0 HD23 LEU A 352 7.798 -7.246 11.809 1.00 0.00 H new ATOM 200 N ILE A 353 5.330 -9.986 8.079 1.00 0.00 N ATOM 201 CA ILE A 353 4.806 -10.233 6.718 1.00 0.00 C ATOM 202 C ILE A 353 3.631 -9.305 6.388 1.00 0.00 C ATOM 203 O ILE A 353 3.626 -8.643 5.339 1.00 0.00 O ATOM 204 CB ILE A 353 4.523 -11.745 6.489 1.00 0.00 C ATOM 205 CG1 ILE A 353 5.181 -12.255 5.192 1.00 0.00 C ATOM 206 CG2 ILE A 353 3.045 -12.175 6.562 1.00 0.00 C ATOM 207 CD1 ILE A 353 5.477 -13.762 5.255 1.00 0.00 C ATOM 0 H ILE A 353 5.233 -10.785 8.706 1.00 0.00 H new ATOM 0 HA ILE A 353 5.578 -9.973 5.994 1.00 0.00 H new ATOM 0 HB ILE A 353 4.989 -12.227 7.349 1.00 0.00 H new ATOM 0 HG12 ILE A 353 4.525 -12.049 4.346 1.00 0.00 H new ATOM 0 HG13 ILE A 353 6.108 -11.710 5.016 1.00 0.00 H new ATOM 0 HG21 ILE A 353 2.969 -13.248 6.387 1.00 0.00 H new ATOM 0 HG22 ILE A 353 2.646 -11.939 7.548 1.00 0.00 H new ATOM 0 HG23 ILE A 353 2.473 -11.642 5.802 1.00 0.00 H new ATOM 0 HD11 ILE A 353 5.940 -14.081 4.321 1.00 0.00 H new ATOM 0 HD12 ILE A 353 6.154 -13.965 6.084 1.00 0.00 H new ATOM 0 HD13 ILE A 353 4.546 -14.310 5.404 1.00 0.00 H new ATOM 219 N GLN A 354 2.673 -9.183 7.316 1.00 0.00 N ATOM 220 CA GLN A 354 1.556 -8.250 7.111 1.00 0.00 C ATOM 221 C GLN A 354 2.047 -6.798 7.069 1.00 0.00 C ATOM 222 O GLN A 354 1.497 -6.005 6.313 1.00 0.00 O ATOM 223 CB GLN A 354 0.401 -8.462 8.097 1.00 0.00 C ATOM 224 CG GLN A 354 0.733 -8.133 9.553 1.00 0.00 C ATOM 225 CD GLN A 354 -0.481 -8.310 10.460 1.00 0.00 C ATOM 226 OE1 GLN A 354 -1.143 -7.360 10.857 1.00 0.00 O ATOM 227 NE2 GLN A 354 -0.824 -9.530 10.818 1.00 0.00 N ATOM 0 H GLN A 354 2.646 -9.703 8.193 1.00 0.00 H new ATOM 0 HA GLN A 354 1.132 -8.475 6.132 1.00 0.00 H new ATOM 0 HB2 GLN A 354 -0.443 -7.848 7.784 1.00 0.00 H new ATOM 0 HB3 GLN A 354 0.078 -9.501 8.039 1.00 0.00 H new ATOM 0 HG2 GLN A 354 1.542 -8.778 9.897 1.00 0.00 H new ATOM 0 HG3 GLN A 354 1.093 -7.106 9.622 1.00 0.00 H new ATOM 0 HE21 GLN A 354 -0.280 -10.329 10.493 1.00 0.00 H new ATOM 0 HE22 GLN A 354 -1.634 -9.676 11.420 1.00 0.00 H new ATOM 236 N GLN A 355 3.106 -6.444 7.810 1.00 0.00 N ATOM 237 CA GLN A 355 3.704 -5.110 7.740 1.00 0.00 C ATOM 238 C GLN A 355 4.294 -4.848 6.343 1.00 0.00 C ATOM 239 O GLN A 355 4.022 -3.779 5.798 1.00 0.00 O ATOM 240 CB GLN A 355 4.688 -4.901 8.888 1.00 0.00 C ATOM 241 CG GLN A 355 5.439 -3.562 8.819 1.00 0.00 C ATOM 242 CD GLN A 355 6.367 -3.359 10.017 1.00 0.00 C ATOM 243 OE1 GLN A 355 7.230 -4.171 10.317 1.00 0.00 O ATOM 244 NE2 GLN A 355 6.235 -2.270 10.747 1.00 0.00 N ATOM 0 H GLN A 355 3.567 -7.071 8.469 1.00 0.00 H new ATOM 0 HA GLN A 355 2.930 -4.355 7.875 1.00 0.00 H new ATOM 0 HB2 GLN A 355 4.148 -4.957 9.833 1.00 0.00 H new ATOM 0 HB3 GLN A 355 5.413 -5.715 8.887 1.00 0.00 H new ATOM 0 HG2 GLN A 355 6.022 -3.521 7.899 1.00 0.00 H new ATOM 0 HG3 GLN A 355 4.719 -2.745 8.777 1.00 0.00 H new ATOM 0 HE21 GLN A 355 5.520 -1.582 10.511 1.00 0.00 H new ATOM 0 HE22 GLN A 355 6.848 -2.115 11.548 1.00 0.00 H new ATOM 253 N GLN A 356 4.997 -5.803 5.703 1.00 0.00 N ATOM 254 CA GLN A 356 5.408 -5.622 4.301 1.00 0.00 C ATOM 255 C GLN A 356 4.218 -5.338 3.393 1.00 0.00 C ATOM 256 O GLN A 356 4.211 -4.344 2.676 1.00 0.00 O ATOM 257 CB GLN A 356 6.183 -6.810 3.712 1.00 0.00 C ATOM 258 CG GLN A 356 7.058 -7.689 4.607 1.00 0.00 C ATOM 259 CD GLN A 356 8.242 -6.931 5.203 1.00 0.00 C ATOM 260 OE1 GLN A 356 9.166 -6.525 4.512 1.00 0.00 O ATOM 261 NE2 GLN A 356 8.268 -6.716 6.499 1.00 0.00 N ATOM 0 H GLN A 356 5.285 -6.686 6.124 1.00 0.00 H new ATOM 0 HA GLN A 356 6.079 -4.764 4.334 1.00 0.00 H new ATOM 0 HB2 GLN A 356 5.454 -7.464 3.234 1.00 0.00 H new ATOM 0 HB3 GLN A 356 6.824 -6.416 2.923 1.00 0.00 H new ATOM 0 HG2 GLN A 356 6.450 -8.097 5.414 1.00 0.00 H new ATOM 0 HG3 GLN A 356 7.428 -8.535 4.028 1.00 0.00 H new ATOM 0 HE21 GLN A 356 7.504 -7.049 7.087 1.00 0.00 H new ATOM 0 HE22 GLN A 356 9.052 -6.216 6.917 1.00 0.00 H new ATOM 270 N LEU A 357 3.214 -6.213 3.450 1.00 0.00 N ATOM 271 CA LEU A 357 1.975 -6.106 2.673 1.00 0.00 C ATOM 272 C LEU A 357 1.286 -4.732 2.875 1.00 0.00 C ATOM 273 O LEU A 357 1.016 -4.019 1.913 1.00 0.00 O ATOM 274 CB LEU A 357 1.108 -7.306 3.095 1.00 0.00 C ATOM 275 CG LEU A 357 0.167 -7.791 1.993 1.00 0.00 C ATOM 276 CD1 LEU A 357 -0.497 -9.085 2.446 1.00 0.00 C ATOM 277 CD2 LEU A 357 -0.889 -6.752 1.645 1.00 0.00 C ATOM 0 H LEU A 357 3.238 -7.036 4.052 1.00 0.00 H new ATOM 0 HA LEU A 357 2.162 -6.145 1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 357 1.759 -8.128 3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 357 0.519 -7.030 3.970 1.00 0.00 H new ATOM 0 HG LEU A 357 0.754 -7.963 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 357 -1.171 -9.440 1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 357 0.267 -9.839 2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 357 -1.063 -8.903 3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 357 -1.535 -7.140 0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 357 -1.487 -6.531 2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 357 -0.402 -5.840 1.299 1.00 0.00 H new ATOM 289 N VAL A 358 1.048 -4.302 4.115 1.00 0.00 N ATOM 290 CA VAL A 358 0.437 -2.996 4.436 1.00 0.00 C ATOM 291 C VAL A 358 1.282 -1.819 3.913 1.00 0.00 C ATOM 292 O VAL A 358 0.737 -0.853 3.374 1.00 0.00 O ATOM 293 CB VAL A 358 0.206 -2.900 5.960 1.00 0.00 C ATOM 294 CG1 VAL A 358 -0.182 -1.491 6.431 1.00 0.00 C ATOM 295 CG2 VAL A 358 -0.918 -3.851 6.410 1.00 0.00 C ATOM 0 H VAL A 358 1.275 -4.854 4.942 1.00 0.00 H new ATOM 0 HA VAL A 358 -0.525 -2.927 3.927 1.00 0.00 H new ATOM 0 HB VAL A 358 1.163 -3.173 6.405 1.00 0.00 H new ATOM 0 HG11 VAL A 358 -0.329 -1.496 7.511 1.00 0.00 H new ATOM 0 HG12 VAL A 358 0.613 -0.790 6.176 1.00 0.00 H new ATOM 0 HG13 VAL A 358 -1.106 -1.185 5.941 1.00 0.00 H new ATOM 0 HG21 VAL A 358 -1.060 -3.763 7.487 1.00 0.00 H new ATOM 0 HG22 VAL A 358 -1.844 -3.587 5.900 1.00 0.00 H new ATOM 0 HG23 VAL A 358 -0.647 -4.877 6.162 1.00 0.00 H new ATOM 305 N LEU A 359 2.613 -1.904 4.008 1.00 0.00 N ATOM 306 CA LEU A 359 3.535 -0.869 3.517 1.00 0.00 C ATOM 307 C LEU A 359 3.579 -0.841 1.980 1.00 0.00 C ATOM 308 O LEU A 359 3.678 0.229 1.386 1.00 0.00 O ATOM 309 CB LEU A 359 4.936 -1.080 4.117 1.00 0.00 C ATOM 310 CG LEU A 359 5.079 -0.760 5.616 1.00 0.00 C ATOM 311 CD1 LEU A 359 6.481 -1.155 6.082 1.00 0.00 C ATOM 312 CD2 LEU A 359 4.890 0.727 5.903 1.00 0.00 C ATOM 0 H LEU A 359 3.088 -2.701 4.432 1.00 0.00 H new ATOM 0 HA LEU A 359 3.166 0.104 3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 359 5.226 -2.118 3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 359 5.644 -0.463 3.564 1.00 0.00 H new ATOM 0 HG LEU A 359 4.308 -1.320 6.146 1.00 0.00 H new ATOM 0 HD11 LEU A 359 6.588 -0.931 7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 359 6.631 -2.222 5.920 1.00 0.00 H new ATOM 0 HD13 LEU A 359 7.224 -0.594 5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 359 4.999 0.908 6.972 1.00 0.00 H new ATOM 0 HD22 LEU A 359 5.641 1.301 5.359 1.00 0.00 H new ATOM 0 HD23 LEU A 359 3.895 1.036 5.583 1.00 0.00 H new ATOM 324 N LEU A 360 3.436 -1.999 1.331 1.00 0.00 N ATOM 325 CA LEU A 360 3.310 -2.167 -0.121 1.00 0.00 C ATOM 326 C LEU A 360 2.059 -1.444 -0.622 1.00 0.00 C ATOM 327 O LEU A 360 2.095 -0.708 -1.606 1.00 0.00 O ATOM 328 CB LEU A 360 3.174 -3.676 -0.420 1.00 0.00 C ATOM 329 CG LEU A 360 4.352 -4.381 -1.114 1.00 0.00 C ATOM 330 CD1 LEU A 360 5.737 -3.974 -0.604 1.00 0.00 C ATOM 331 CD2 LEU A 360 4.186 -5.889 -0.900 1.00 0.00 C ATOM 0 H LEU A 360 3.403 -2.890 1.827 1.00 0.00 H new ATOM 0 HA LEU A 360 4.185 -1.751 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 360 2.987 -4.188 0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 360 2.288 -3.816 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 360 4.317 -4.086 -2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 360 6.502 -4.523 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 360 5.880 -2.904 -0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 360 5.816 -4.205 0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 360 5.008 -6.418 -1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 360 4.190 -6.108 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 360 3.241 -6.216 -1.333 1.00 0.00 H new ATOM 343 N LEU A 361 0.942 -1.643 0.078 1.00 0.00 N ATOM 344 CA LEU A 361 -0.315 -0.987 -0.259 1.00 0.00 C ATOM 345 C LEU A 361 -0.213 0.522 -0.027 1.00 0.00 C ATOM 346 O LEU A 361 -0.685 1.273 -0.881 1.00 0.00 O ATOM 347 CB LEU A 361 -1.466 -1.656 0.493 1.00 0.00 C ATOM 348 CG LEU A 361 -1.618 -3.141 0.097 1.00 0.00 C ATOM 349 CD1 LEU A 361 -2.698 -3.771 0.966 1.00 0.00 C ATOM 350 CD2 LEU A 361 -2.011 -3.351 -1.369 1.00 0.00 C ATOM 0 H LEU A 361 0.886 -2.260 0.889 1.00 0.00 H new ATOM 0 HA LEU A 361 -0.529 -1.107 -1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 361 -1.292 -1.581 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 361 -2.395 -1.126 0.283 1.00 0.00 H new ATOM 0 HG LEU A 361 -0.642 -3.603 0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 361 -2.816 -4.821 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 361 -2.411 -3.696 2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 361 -3.642 -3.248 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 361 -2.099 -4.418 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 361 -2.967 -2.865 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 361 -1.247 -2.920 -2.016 1.00 0.00 H new ATOM 362 N HIS A 362 0.471 0.979 1.035 1.00 0.00 N ATOM 363 CA HIS A 362 0.746 2.411 1.200 1.00 0.00 C ATOM 364 C HIS A 362 1.595 2.917 0.024 1.00 0.00 C ATOM 365 O HIS A 362 1.284 3.955 -0.540 1.00 0.00 O ATOM 366 CB HIS A 362 1.435 2.750 2.533 1.00 0.00 C ATOM 367 CG HIS A 362 1.591 4.250 2.706 1.00 0.00 C ATOM 368 ND1 HIS A 362 0.777 5.072 3.455 1.00 0.00 N ATOM 369 CD2 HIS A 362 2.505 5.066 2.082 1.00 0.00 C ATOM 370 CE1 HIS A 362 1.189 6.342 3.283 1.00 0.00 C ATOM 371 NE2 HIS A 362 2.232 6.392 2.439 1.00 0.00 N ATOM 0 H HIS A 362 0.838 0.386 1.780 1.00 0.00 H new ATOM 0 HA HIS A 362 -0.219 2.917 1.214 1.00 0.00 H new ATOM 0 HB2 HIS A 362 0.852 2.345 3.360 1.00 0.00 H new ATOM 0 HB3 HIS A 362 2.415 2.273 2.570 1.00 0.00 H new ATOM 0 HD1 HIS A 362 -0.003 4.770 4.039 1.00 0.00 H new ATOM 0 HD2 HIS A 362 3.299 4.739 1.427 1.00 0.00 H new ATOM 0 HE1 HIS A 362 0.742 7.202 3.759 1.00 0.00 H new ATOM 379 N ALA A 363 2.638 2.191 -0.385 1.00 0.00 N ATOM 380 CA ALA A 363 3.481 2.563 -1.519 1.00 0.00 C ATOM 381 C ALA A 363 2.687 2.701 -2.833 1.00 0.00 C ATOM 382 O ALA A 363 2.940 3.634 -3.596 1.00 0.00 O ATOM 383 CB ALA A 363 4.628 1.558 -1.623 1.00 0.00 C ATOM 0 H ALA A 363 2.922 1.322 0.067 1.00 0.00 H new ATOM 0 HA ALA A 363 3.894 3.557 -1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 363 5.267 1.822 -2.465 1.00 0.00 H new ATOM 0 HB2 ALA A 363 5.213 1.577 -0.703 1.00 0.00 H new ATOM 0 HB3 ALA A 363 4.223 0.558 -1.774 1.00 0.00 H new ATOM 389 N HIS A 364 1.718 1.817 -3.101 1.00 0.00 N ATOM 390 CA HIS A 364 0.840 1.900 -4.271 1.00 0.00 C ATOM 391 C HIS A 364 -0.033 3.168 -4.201 1.00 0.00 C ATOM 392 O HIS A 364 -0.004 4.023 -5.090 1.00 0.00 O ATOM 393 CB HIS A 364 -0.028 0.635 -4.342 1.00 0.00 C ATOM 394 CG HIS A 364 -0.794 0.521 -5.636 1.00 0.00 C ATOM 395 ND1 HIS A 364 -2.126 0.819 -5.831 1.00 0.00 N ATOM 396 CD2 HIS A 364 -0.290 0.117 -6.843 1.00 0.00 C ATOM 397 CE1 HIS A 364 -2.419 0.600 -7.124 1.00 0.00 C ATOM 398 NE2 HIS A 364 -1.328 0.170 -7.785 1.00 0.00 N ATOM 0 H HIS A 364 1.521 1.015 -2.503 1.00 0.00 H new ATOM 0 HA HIS A 364 1.444 1.965 -5.176 1.00 0.00 H new ATOM 0 HB2 HIS A 364 0.607 -0.243 -4.223 1.00 0.00 H new ATOM 0 HB3 HIS A 364 -0.730 0.635 -3.509 1.00 0.00 H new ATOM 0 HD2 HIS A 364 0.728 -0.189 -7.036 1.00 0.00 H new ATOM 0 HE1 HIS A 364 -3.392 0.748 -7.570 1.00 0.00 H new ATOM 0 HE2 HIS A 364 -1.268 -0.070 -8.775 1.00 0.00 H new ATOM 406 N LYS A 365 -0.746 3.314 -3.076 1.00 0.00 N ATOM 407 CA LYS A 365 -1.575 4.471 -2.685 1.00 0.00 C ATOM 408 C LYS A 365 -0.863 5.809 -2.857 1.00 0.00 C ATOM 409 O LYS A 365 -1.398 6.750 -3.443 1.00 0.00 O ATOM 410 CB LYS A 365 -1.971 4.247 -1.208 1.00 0.00 C ATOM 411 CG LYS A 365 -2.185 5.506 -0.349 1.00 0.00 C ATOM 412 CD LYS A 365 -2.662 5.085 1.053 1.00 0.00 C ATOM 413 CE LYS A 365 -3.193 6.303 1.821 1.00 0.00 C ATOM 414 NZ LYS A 365 -3.775 5.918 3.134 1.00 0.00 N ATOM 0 H LYS A 365 -0.763 2.582 -2.366 1.00 0.00 H new ATOM 0 HA LYS A 365 -2.446 4.529 -3.337 1.00 0.00 H new ATOM 0 HB2 LYS A 365 -2.890 3.661 -1.188 1.00 0.00 H new ATOM 0 HB3 LYS A 365 -1.197 3.642 -0.737 1.00 0.00 H new ATOM 0 HG2 LYS A 365 -1.257 6.073 -0.276 1.00 0.00 H new ATOM 0 HG3 LYS A 365 -2.922 6.159 -0.816 1.00 0.00 H new ATOM 0 HD2 LYS A 365 -3.444 4.331 0.968 1.00 0.00 H new ATOM 0 HD3 LYS A 365 -1.839 4.630 1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 365 -2.383 7.015 1.977 1.00 0.00 H new ATOM 0 HE3 LYS A 365 -3.951 6.808 1.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 -4.123 6.768 3.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 -4.564 5.258 2.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 -3.046 5.459 3.716 1.00 0.00 H new ATOM 428 N CYS A 366 0.326 5.894 -2.284 1.00 0.00 N ATOM 429 CA CYS A 366 1.122 7.093 -2.212 1.00 0.00 C ATOM 430 C CYS A 366 1.766 7.414 -3.566 1.00 0.00 C ATOM 431 O CYS A 366 1.742 8.574 -3.963 1.00 0.00 O ATOM 432 CB CYS A 366 2.005 6.921 -0.979 1.00 0.00 C ATOM 433 SG CYS A 366 3.055 8.340 -0.592 1.00 0.00 S ATOM 0 H CYS A 366 0.775 5.093 -1.840 1.00 0.00 H new ATOM 0 HA CYS A 366 0.563 8.015 -2.055 1.00 0.00 H new ATOM 0 HB2 CYS A 366 1.368 6.714 -0.119 1.00 0.00 H new ATOM 0 HB3 CYS A 366 2.639 6.047 -1.123 1.00 0.00 H new ATOM 0 HG CYS A 366 4.114 7.936 0.045 1.00 0.00 H new ATOM 438 N GLN A 367 2.226 6.426 -4.348 1.00 0.00 N ATOM 439 CA GLN A 367 2.653 6.693 -5.735 1.00 0.00 C ATOM 440 C GLN A 367 1.479 7.271 -6.540 1.00 0.00 C ATOM 441 O GLN A 367 1.657 8.258 -7.253 1.00 0.00 O ATOM 442 CB GLN A 367 3.193 5.422 -6.408 1.00 0.00 C ATOM 443 CG GLN A 367 4.655 5.174 -6.018 1.00 0.00 C ATOM 444 CD GLN A 367 5.144 3.803 -6.471 1.00 0.00 C ATOM 445 OE1 GLN A 367 5.878 3.651 -7.436 1.00 0.00 O ATOM 446 NE2 GLN A 367 4.741 2.757 -5.786 1.00 0.00 N ATOM 0 H GLN A 367 2.312 5.453 -4.054 1.00 0.00 H new ATOM 0 HA GLN A 367 3.463 7.422 -5.710 1.00 0.00 H new ATOM 0 HB2 GLN A 367 2.585 4.565 -6.117 1.00 0.00 H new ATOM 0 HB3 GLN A 367 3.113 5.517 -7.491 1.00 0.00 H new ATOM 0 HG2 GLN A 367 5.284 5.947 -6.460 1.00 0.00 H new ATOM 0 HG3 GLN A 367 4.760 5.257 -4.936 1.00 0.00 H new ATOM 0 HE21 GLN A 367 4.128 2.880 -4.980 1.00 0.00 H new ATOM 0 HE22 GLN A 367 5.041 1.821 -6.060 1.00 0.00 H new ATOM 455 N ARG A 368 0.270 6.710 -6.387 1.00 0.00 N ATOM 456 CA ARG A 368 -0.948 7.207 -7.042 1.00 0.00 C ATOM 457 C ARG A 368 -1.275 8.647 -6.658 1.00 0.00 C ATOM 458 O ARG A 368 -1.367 9.492 -7.547 1.00 0.00 O ATOM 459 CB ARG A 368 -2.108 6.227 -6.783 1.00 0.00 C ATOM 460 CG ARG A 368 -3.399 6.611 -7.523 1.00 0.00 C ATOM 461 CD ARG A 368 -4.499 5.577 -7.246 1.00 0.00 C ATOM 462 NE ARG A 368 -5.766 5.943 -7.909 1.00 0.00 N ATOM 463 CZ ARG A 368 -6.143 5.647 -9.142 1.00 0.00 C ATOM 464 NH1 ARG A 368 -5.397 4.951 -9.953 1.00 0.00 N ATOM 465 NH2 ARG A 368 -7.297 6.053 -9.591 1.00 0.00 N ATOM 0 H ARG A 368 0.110 5.891 -5.800 1.00 0.00 H new ATOM 0 HA ARG A 368 -0.776 7.245 -8.118 1.00 0.00 H new ATOM 0 HB2 ARG A 368 -1.805 5.226 -7.089 1.00 0.00 H new ATOM 0 HB3 ARG A 368 -2.309 6.186 -5.712 1.00 0.00 H new ATOM 0 HG2 ARG A 368 -3.730 7.599 -7.202 1.00 0.00 H new ATOM 0 HG3 ARG A 368 -3.208 6.671 -8.594 1.00 0.00 H new ATOM 0 HD2 ARG A 368 -4.174 4.597 -7.595 1.00 0.00 H new ATOM 0 HD3 ARG A 368 -4.660 5.495 -6.171 1.00 0.00 H new ATOM 0 HE ARG A 368 -6.426 6.486 -7.353 1.00 0.00 H new ATOM 0 HH11 ARG A 368 -4.486 4.613 -9.644 1.00 0.00 H new ATOM 0 HH12 ARG A 368 -5.725 4.744 -10.897 1.00 0.00 H new ATOM 0 HH21 ARG A 368 -7.913 6.601 -8.991 1.00 0.00 H new ATOM 0 HH22 ARG A 368 -7.584 5.823 -10.542 1.00 0.00 H new ATOM 479 N ARG A 369 -1.426 8.955 -5.363 1.00 0.00 N ATOM 480 CA ARG A 369 -1.776 10.321 -4.915 1.00 0.00 C ATOM 481 C ARG A 369 -0.697 11.362 -5.237 1.00 0.00 C ATOM 482 O ARG A 369 -1.021 12.515 -5.514 1.00 0.00 O ATOM 483 CB ARG A 369 -2.330 10.344 -3.464 1.00 0.00 C ATOM 484 CG ARG A 369 -1.553 11.116 -2.375 1.00 0.00 C ATOM 485 CD ARG A 369 -0.350 10.339 -1.839 1.00 0.00 C ATOM 486 NE ARG A 369 0.466 11.131 -0.894 1.00 0.00 N ATOM 487 CZ ARG A 369 0.899 10.736 0.292 1.00 0.00 C ATOM 488 NH1 ARG A 369 0.482 9.652 0.884 1.00 0.00 N ATOM 489 NH2 ARG A 369 1.788 11.428 0.933 1.00 0.00 N ATOM 0 H ARG A 369 -1.313 8.283 -4.604 1.00 0.00 H new ATOM 0 HA ARG A 369 -2.618 10.652 -5.523 1.00 0.00 H new ATOM 0 HB2 ARG A 369 -3.338 10.757 -3.504 1.00 0.00 H new ATOM 0 HB3 ARG A 369 -2.422 9.310 -3.131 1.00 0.00 H new ATOM 0 HG2 ARG A 369 -1.212 12.067 -2.784 1.00 0.00 H new ATOM 0 HG3 ARG A 369 -2.227 11.347 -1.550 1.00 0.00 H new ATOM 0 HD2 ARG A 369 -0.699 9.434 -1.341 1.00 0.00 H new ATOM 0 HD3 ARG A 369 0.274 10.022 -2.674 1.00 0.00 H new ATOM 0 HE ARG A 369 0.720 12.075 -1.185 1.00 0.00 H new ATOM 0 HH11 ARG A 369 -0.214 9.059 0.431 1.00 0.00 H new ATOM 0 HH12 ARG A 369 0.852 9.397 1.800 1.00 0.00 H new ATOM 0 HH21 ARG A 369 2.160 12.285 0.523 1.00 0.00 H new ATOM 0 HH22 ARG A 369 2.116 11.116 1.847 1.00 0.00 H new ATOM 503 N GLU A 370 0.571 10.952 -5.254 1.00 0.00 N ATOM 504 CA GLU A 370 1.713 11.799 -5.622 1.00 0.00 C ATOM 505 C GLU A 370 1.677 12.147 -7.118 1.00 0.00 C ATOM 506 O GLU A 370 1.600 13.319 -7.489 1.00 0.00 O ATOM 507 CB GLU A 370 2.998 11.041 -5.258 1.00 0.00 C ATOM 508 CG GLU A 370 4.289 11.849 -5.399 1.00 0.00 C ATOM 509 CD GLU A 370 5.553 11.017 -5.062 1.00 0.00 C ATOM 510 OE1 GLU A 370 5.478 10.012 -4.309 1.00 0.00 O ATOM 511 OE2 GLU A 370 6.649 11.378 -5.554 1.00 0.00 O ATOM 0 H GLU A 370 0.842 10.000 -5.007 1.00 0.00 H new ATOM 0 HA GLU A 370 1.673 12.743 -5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 370 2.916 10.692 -4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 370 3.071 10.156 -5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 370 4.368 12.226 -6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 370 4.244 12.717 -4.741 1.00 0.00 H new ATOM 518 N GLN A 371 1.689 11.124 -7.979 1.00 0.00 N ATOM 519 CA GLN A 371 1.653 11.262 -9.443 1.00 0.00 C ATOM 520 C GLN A 371 0.366 11.919 -9.974 1.00 0.00 C ATOM 521 O GLN A 371 0.397 12.560 -11.026 1.00 0.00 O ATOM 522 CB GLN A 371 1.836 9.884 -10.108 1.00 0.00 C ATOM 523 CG GLN A 371 3.226 9.260 -9.899 1.00 0.00 C ATOM 524 CD GLN A 371 4.336 10.038 -10.603 1.00 0.00 C ATOM 525 OE1 GLN A 371 4.961 10.932 -10.046 1.00 0.00 O ATOM 526 NE2 GLN A 371 4.629 9.739 -11.852 1.00 0.00 N ATOM 0 H GLN A 371 1.725 10.152 -7.672 1.00 0.00 H new ATOM 0 HA GLN A 371 2.476 11.928 -9.703 1.00 0.00 H new ATOM 0 HB2 GLN A 371 1.082 9.202 -9.716 1.00 0.00 H new ATOM 0 HB3 GLN A 371 1.652 9.983 -11.178 1.00 0.00 H new ATOM 0 HG2 GLN A 371 3.442 9.214 -8.832 1.00 0.00 H new ATOM 0 HG3 GLN A 371 3.218 8.234 -10.267 1.00 0.00 H new ATOM 0 HE21 GLN A 371 4.119 8.997 -12.332 1.00 0.00 H new ATOM 0 HE22 GLN A 371 5.366 10.249 -12.339 1.00 0.00 H new ATOM 535 N ALA A 372 -0.759 11.784 -9.262 1.00 0.00 N ATOM 536 CA ALA A 372 -2.054 12.362 -9.650 1.00 0.00 C ATOM 537 C ALA A 372 -2.107 13.911 -9.635 1.00 0.00 C ATOM 538 O ALA A 372 -3.084 14.492 -10.117 1.00 0.00 O ATOM 539 CB ALA A 372 -3.149 11.769 -8.754 1.00 0.00 C ATOM 0 H ALA A 372 -0.797 11.262 -8.386 1.00 0.00 H new ATOM 0 HA ALA A 372 -2.216 12.095 -10.694 1.00 0.00 H new ATOM 0 HB1 ALA A 372 -4.115 12.190 -9.032 1.00 0.00 H new ATOM 0 HB2 ALA A 372 -3.176 10.687 -8.880 1.00 0.00 H new ATOM 0 HB3 ALA A 372 -2.936 12.008 -7.712 1.00 0.00 H new ATOM 652 N LEU A 381 5.114 8.767 7.013 1.00 0.00 N ATOM 653 CA LEU A 381 5.532 7.376 7.222 1.00 0.00 C ATOM 654 C LEU A 381 7.009 7.170 6.808 1.00 0.00 C ATOM 655 O LEU A 381 7.301 7.199 5.614 1.00 0.00 O ATOM 656 CB LEU A 381 4.552 6.505 6.411 1.00 0.00 C ATOM 657 CG LEU A 381 4.875 5.003 6.368 1.00 0.00 C ATOM 658 CD1 LEU A 381 4.794 4.347 7.746 1.00 0.00 C ATOM 659 CD2 LEU A 381 3.891 4.319 5.426 1.00 0.00 C ATOM 0 HA LEU A 381 5.494 7.095 8.274 1.00 0.00 H new ATOM 0 HB2 LEU A 381 3.552 6.631 6.827 1.00 0.00 H new ATOM 0 HB3 LEU A 381 4.521 6.881 5.388 1.00 0.00 H new ATOM 0 HG LEU A 381 5.901 4.891 6.016 1.00 0.00 H new ATOM 0 HD11 LEU A 381 5.031 3.287 7.659 1.00 0.00 H new ATOM 0 HD12 LEU A 381 5.507 4.824 8.419 1.00 0.00 H new ATOM 0 HD13 LEU A 381 3.786 4.462 8.145 1.00 0.00 H new ATOM 0 HD21 LEU A 381 4.108 3.252 5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 381 2.875 4.469 5.790 1.00 0.00 H new ATOM 0 HD23 LEU A 381 3.986 4.747 4.428 1.00 0.00 H new ATOM 671 N PRO A 382 7.961 6.960 7.743 1.00 0.00 N ATOM 672 CA PRO A 382 9.384 6.761 7.419 1.00 0.00 C ATOM 673 C PRO A 382 9.674 5.633 6.409 1.00 0.00 C ATOM 674 O PRO A 382 10.519 5.783 5.525 1.00 0.00 O ATOM 675 CB PRO A 382 10.071 6.475 8.762 1.00 0.00 C ATOM 676 CG PRO A 382 9.156 7.135 9.788 1.00 0.00 C ATOM 677 CD PRO A 382 7.767 6.938 9.186 1.00 0.00 C ATOM 0 HA PRO A 382 9.761 7.653 6.918 1.00 0.00 H new ATOM 0 HB2 PRO A 382 10.167 5.404 8.942 1.00 0.00 H new ATOM 0 HB3 PRO A 382 11.076 6.895 8.794 1.00 0.00 H new ATOM 0 HG2 PRO A 382 9.242 6.664 10.767 1.00 0.00 H new ATOM 0 HG3 PRO A 382 9.393 8.191 9.920 1.00 0.00 H new ATOM 0 HD2 PRO A 382 7.330 5.993 9.509 1.00 0.00 H new ATOM 0 HD3 PRO A 382 7.087 7.728 9.502 1.00 0.00 H new ATOM 685 N HIS A 383 8.974 4.499 6.535 1.00 0.00 N ATOM 686 CA HIS A 383 9.132 3.305 5.686 1.00 0.00 C ATOM 687 C HIS A 383 8.524 3.430 4.271 1.00 0.00 C ATOM 688 O HIS A 383 8.747 2.560 3.424 1.00 0.00 O ATOM 689 CB HIS A 383 8.514 2.101 6.413 1.00 0.00 C ATOM 690 CG HIS A 383 9.025 1.885 7.818 1.00 0.00 C ATOM 691 ND1 HIS A 383 10.323 1.606 8.186 1.00 0.00 N ATOM 692 CD2 HIS A 383 8.281 1.926 8.967 1.00 0.00 C ATOM 693 CE1 HIS A 383 10.362 1.482 9.524 1.00 0.00 C ATOM 694 NE2 HIS A 383 9.137 1.670 10.048 1.00 0.00 N ATOM 0 H HIS A 383 8.259 4.380 7.252 1.00 0.00 H new ATOM 0 HA HIS A 383 10.203 3.178 5.528 1.00 0.00 H new ATOM 0 HB2 HIS A 383 7.432 2.231 6.450 1.00 0.00 H new ATOM 0 HB3 HIS A 383 8.707 1.202 5.828 1.00 0.00 H new ATOM 0 HD2 HIS A 383 7.221 2.121 9.030 1.00 0.00 H new ATOM 0 HE1 HIS A 383 11.251 1.263 10.097 1.00 0.00 H new ATOM 0 HE2 HIS A 383 8.882 1.634 11.035 1.00 0.00 H new ATOM 702 N CYS A 384 7.750 4.491 4.014 1.00 0.00 N ATOM 703 CA CYS A 384 7.057 4.774 2.757 1.00 0.00 C ATOM 704 C CYS A 384 7.957 4.615 1.522 1.00 0.00 C ATOM 705 O CYS A 384 7.691 3.801 0.636 1.00 0.00 O ATOM 706 CB CYS A 384 6.526 6.207 2.898 1.00 0.00 C ATOM 707 SG CYS A 384 5.602 6.740 1.447 1.00 0.00 S ATOM 0 H CYS A 384 7.583 5.212 4.716 1.00 0.00 H new ATOM 0 HA CYS A 384 6.253 4.057 2.591 1.00 0.00 H new ATOM 0 HB2 CYS A 384 5.885 6.270 3.777 1.00 0.00 H new ATOM 0 HB3 CYS A 384 7.362 6.887 3.064 1.00 0.00 H new ATOM 0 HG CYS A 384 4.486 7.291 1.822 1.00 0.00 H new ATOM 712 N ARG A 385 9.054 5.380 1.480 1.00 0.00 N ATOM 713 CA ARG A 385 10.022 5.387 0.371 1.00 0.00 C ATOM 714 C ARG A 385 10.763 4.058 0.207 1.00 0.00 C ATOM 715 O ARG A 385 11.058 3.653 -0.917 1.00 0.00 O ATOM 716 CB ARG A 385 10.982 6.575 0.526 1.00 0.00 C ATOM 717 CG ARG A 385 10.297 7.951 0.649 1.00 0.00 C ATOM 718 CD ARG A 385 9.039 8.147 -0.213 1.00 0.00 C ATOM 719 NE ARG A 385 8.742 9.575 -0.405 1.00 0.00 N ATOM 720 CZ ARG A 385 7.629 10.228 -0.124 1.00 0.00 C ATOM 721 NH1 ARG A 385 6.593 9.677 0.444 1.00 0.00 N ATOM 722 NH2 ARG A 385 7.550 11.488 -0.426 1.00 0.00 N ATOM 0 H ARG A 385 9.301 6.026 2.230 1.00 0.00 H new ATOM 0 HA ARG A 385 9.462 5.510 -0.556 1.00 0.00 H new ATOM 0 HB2 ARG A 385 11.599 6.412 1.410 1.00 0.00 H new ATOM 0 HB3 ARG A 385 11.654 6.595 -0.332 1.00 0.00 H new ATOM 0 HG2 ARG A 385 10.028 8.111 1.693 1.00 0.00 H new ATOM 0 HG3 ARG A 385 11.021 8.722 0.384 1.00 0.00 H new ATOM 0 HD2 ARG A 385 9.181 7.669 -1.182 1.00 0.00 H new ATOM 0 HD3 ARG A 385 8.189 7.657 0.262 1.00 0.00 H new ATOM 0 HE ARG A 385 9.494 10.134 -0.808 1.00 0.00 H new ATOM 0 HH11 ARG A 385 6.615 8.689 0.696 1.00 0.00 H new ATOM 0 HH12 ARG A 385 5.760 10.234 0.636 1.00 0.00 H new ATOM 0 HH21 ARG A 385 8.339 11.956 -0.872 1.00 0.00 H new ATOM 0 HH22 ARG A 385 6.699 12.010 -0.217 1.00 0.00 H new ATOM 736 N THR A 386 10.992 3.345 1.307 1.00 0.00 N ATOM 737 CA THR A 386 11.611 2.014 1.322 1.00 0.00 C ATOM 738 C THR A 386 10.704 1.035 0.586 1.00 0.00 C ATOM 739 O THR A 386 11.135 0.403 -0.380 1.00 0.00 O ATOM 740 CB THR A 386 11.864 1.522 2.760 1.00 0.00 C ATOM 741 OG1 THR A 386 12.482 2.532 3.536 1.00 0.00 O ATOM 742 CG2 THR A 386 12.763 0.286 2.803 1.00 0.00 C ATOM 0 H THR A 386 10.748 3.682 2.238 1.00 0.00 H new ATOM 0 HA THR A 386 12.578 2.076 0.823 1.00 0.00 H new ATOM 0 HB THR A 386 10.885 1.267 3.166 1.00 0.00 H new ATOM 0 HG1 THR A 386 12.632 2.200 4.446 1.00 0.00 H new ATOM 0 HG21 THR A 386 12.911 -0.021 3.838 1.00 0.00 H new ATOM 0 HG22 THR A 386 12.293 -0.525 2.248 1.00 0.00 H new ATOM 0 HG23 THR A 386 13.728 0.522 2.354 1.00 0.00 H new ATOM 750 N MET A 387 9.423 0.945 0.967 1.00 0.00 N ATOM 751 CA MET A 387 8.493 0.059 0.261 1.00 0.00 C ATOM 752 C MET A 387 8.160 0.542 -1.151 1.00 0.00 C ATOM 753 O MET A 387 8.001 -0.300 -2.026 1.00 0.00 O ATOM 754 CB MET A 387 7.236 -0.246 1.077 1.00 0.00 C ATOM 755 CG MET A 387 7.368 -1.671 1.643 1.00 0.00 C ATOM 756 SD MET A 387 8.675 -1.890 2.887 1.00 0.00 S ATOM 757 CE MET A 387 9.025 -3.661 2.685 1.00 0.00 C ATOM 0 H MET A 387 9.014 1.464 1.744 1.00 0.00 H new ATOM 0 HA MET A 387 9.024 -0.885 0.141 1.00 0.00 H new ATOM 0 HB2 MET A 387 7.123 0.476 1.886 1.00 0.00 H new ATOM 0 HB3 MET A 387 6.347 -0.166 0.451 1.00 0.00 H new ATOM 0 HG2 MET A 387 6.415 -1.959 2.086 1.00 0.00 H new ATOM 0 HG3 MET A 387 7.556 -2.357 0.817 1.00 0.00 H new ATOM 0 HE1 MET A 387 9.810 -3.958 3.380 1.00 0.00 H new ATOM 0 HE2 MET A 387 8.122 -4.236 2.890 1.00 0.00 H new ATOM 0 HE3 MET A 387 9.353 -3.853 1.663 1.00 0.00 H new ATOM 767 N LYS A 388 8.123 1.852 -1.434 1.00 0.00 N ATOM 768 CA LYS A 388 7.983 2.369 -2.810 1.00 0.00 C ATOM 769 C LYS A 388 9.143 1.868 -3.682 1.00 0.00 C ATOM 770 O LYS A 388 8.914 1.455 -4.819 1.00 0.00 O ATOM 771 CB LYS A 388 7.966 3.903 -2.766 1.00 0.00 C ATOM 772 CG LYS A 388 6.606 4.537 -2.420 1.00 0.00 C ATOM 773 CD LYS A 388 6.843 6.012 -2.063 1.00 0.00 C ATOM 774 CE LYS A 388 5.597 6.868 -1.793 1.00 0.00 C ATOM 775 NZ LYS A 388 5.054 7.562 -2.990 1.00 0.00 N ATOM 0 H LYS A 388 8.188 2.581 -0.724 1.00 0.00 H new ATOM 0 HA LYS A 388 7.051 2.010 -3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 388 8.701 4.237 -2.033 1.00 0.00 H new ATOM 0 HB3 LYS A 388 8.288 4.281 -3.736 1.00 0.00 H new ATOM 0 HG2 LYS A 388 5.922 4.455 -3.265 1.00 0.00 H new ATOM 0 HG3 LYS A 388 6.144 4.013 -1.584 1.00 0.00 H new ATOM 0 HD2 LYS A 388 7.479 6.049 -1.179 1.00 0.00 H new ATOM 0 HD3 LYS A 388 7.402 6.473 -2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 388 4.818 6.231 -1.374 1.00 0.00 H new ATOM 0 HE3 LYS A 388 5.841 7.613 -1.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 4.197 8.089 -2.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 5.766 8.223 -3.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 4.819 6.861 -3.721 1.00 0.00 H new ATOM 789 N ASN A 389 10.367 1.832 -3.139 1.00 0.00 N ATOM 790 CA ASN A 389 11.530 1.298 -3.859 1.00 0.00 C ATOM 791 C ASN A 389 11.389 -0.222 -4.085 1.00 0.00 C ATOM 792 O ASN A 389 11.608 -0.707 -5.194 1.00 0.00 O ATOM 793 CB ASN A 389 12.820 1.658 -3.104 1.00 0.00 C ATOM 794 CG ASN A 389 14.059 1.180 -3.845 1.00 0.00 C ATOM 795 OD1 ASN A 389 14.331 1.577 -4.969 1.00 0.00 O ATOM 796 ND2 ASN A 389 14.844 0.308 -3.253 1.00 0.00 N ATOM 0 H ASN A 389 10.578 2.168 -2.199 1.00 0.00 H new ATOM 0 HA ASN A 389 11.582 1.756 -4.847 1.00 0.00 H new ATOM 0 HB2 ASN A 389 12.872 2.738 -2.967 1.00 0.00 H new ATOM 0 HB3 ASN A 389 12.796 1.212 -2.110 1.00 0.00 H new ATOM 0 HD21 ASN A 389 15.677 -0.035 -3.731 1.00 0.00 H new ATOM 0 HD22 ASN A 389 14.620 -0.025 -2.315 1.00 0.00 H new ATOM 803 N VAL A 390 10.964 -0.965 -3.055 1.00 0.00 N ATOM 804 CA VAL A 390 10.693 -2.418 -3.120 1.00 0.00 C ATOM 805 C VAL A 390 9.586 -2.732 -4.134 1.00 0.00 C ATOM 806 O VAL A 390 9.673 -3.724 -4.851 1.00 0.00 O ATOM 807 CB VAL A 390 10.295 -2.932 -1.723 1.00 0.00 C ATOM 808 CG1 VAL A 390 9.742 -4.363 -1.689 1.00 0.00 C ATOM 809 CG2 VAL A 390 11.484 -2.889 -0.755 1.00 0.00 C ATOM 0 H VAL A 390 10.793 -0.570 -2.130 1.00 0.00 H new ATOM 0 HA VAL A 390 11.601 -2.923 -3.450 1.00 0.00 H new ATOM 0 HB VAL A 390 9.496 -2.254 -1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 390 9.491 -4.632 -0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 390 8.847 -4.422 -2.309 1.00 0.00 H new ATOM 0 HG13 VAL A 390 10.494 -5.053 -2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 390 11.171 -3.258 0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 390 12.289 -3.516 -1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 390 11.838 -1.863 -0.659 1.00 0.00 H new ATOM 819 N LEU A 391 8.552 -1.891 -4.227 1.00 0.00 N ATOM 820 CA LEU A 391 7.438 -2.054 -5.161 1.00 0.00 C ATOM 821 C LEU A 391 7.917 -1.824 -6.603 1.00 0.00 C ATOM 822 O LEU A 391 7.731 -2.686 -7.458 1.00 0.00 O ATOM 823 CB LEU A 391 6.277 -1.133 -4.737 1.00 0.00 C ATOM 824 CG LEU A 391 4.884 -1.616 -5.178 1.00 0.00 C ATOM 825 CD1 LEU A 391 3.826 -0.726 -4.531 1.00 0.00 C ATOM 826 CD2 LEU A 391 4.668 -1.588 -6.690 1.00 0.00 C ATOM 0 H LEU A 391 8.466 -1.060 -3.642 1.00 0.00 H new ATOM 0 HA LEU A 391 7.057 -3.075 -5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 391 6.286 -1.034 -3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 391 6.450 -0.139 -5.149 1.00 0.00 H new ATOM 0 HG LEU A 391 4.804 -2.656 -4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 391 2.834 -1.059 -4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 391 3.912 -0.789 -3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 391 3.976 0.306 -4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 391 3.663 -1.943 -6.921 1.00 0.00 H new ATOM 0 HD22 LEU A 391 4.786 -0.568 -7.056 1.00 0.00 H new ATOM 0 HD23 LEU A 391 5.401 -2.234 -7.174 1.00 0.00 H new ATOM 838 N ASN A 392 8.619 -0.719 -6.872 1.00 0.00 N ATOM 839 CA ASN A 392 9.216 -0.463 -8.191 1.00 0.00 C ATOM 840 C ASN A 392 10.164 -1.614 -8.588 1.00 0.00 C ATOM 841 O ASN A 392 10.143 -2.093 -9.730 1.00 0.00 O ATOM 842 CB ASN A 392 9.933 0.895 -8.142 1.00 0.00 C ATOM 843 CG ASN A 392 10.655 1.207 -9.443 1.00 0.00 C ATOM 844 OD1 ASN A 392 10.050 1.377 -10.490 1.00 0.00 O ATOM 845 ND2 ASN A 392 11.967 1.276 -9.426 1.00 0.00 N ATOM 0 H ASN A 392 8.790 0.019 -6.189 1.00 0.00 H new ATOM 0 HA ASN A 392 8.444 -0.422 -8.959 1.00 0.00 H new ATOM 0 HB2 ASN A 392 9.207 1.681 -7.933 1.00 0.00 H new ATOM 0 HB3 ASN A 392 10.650 0.897 -7.321 1.00 0.00 H new ATOM 0 HD21 ASN A 392 12.479 1.471 -10.287 1.00 0.00 H new ATOM 0 HD22 ASN A 392 12.474 1.134 -8.552 1.00 0.00 H new ATOM 852 N HIS A 393 10.928 -2.131 -7.621 1.00 0.00 N ATOM 853 CA HIS A 393 11.756 -3.304 -7.850 1.00 0.00 C ATOM 854 C HIS A 393 10.867 -4.496 -8.203 1.00 0.00 C ATOM 855 O HIS A 393 11.142 -5.128 -9.211 1.00 0.00 O ATOM 856 CB HIS A 393 12.658 -3.605 -6.653 1.00 0.00 C ATOM 857 CG HIS A 393 13.490 -4.844 -6.882 1.00 0.00 C ATOM 858 ND1 HIS A 393 14.739 -4.916 -7.459 1.00 0.00 N ATOM 859 CD2 HIS A 393 13.059 -6.130 -6.704 1.00 0.00 C ATOM 860 CE1 HIS A 393 15.046 -6.217 -7.626 1.00 0.00 C ATOM 861 NE2 HIS A 393 14.045 -6.998 -7.186 1.00 0.00 N ATOM 0 H HIS A 393 10.986 -1.752 -6.676 1.00 0.00 H new ATOM 0 HA HIS A 393 12.420 -3.103 -8.690 1.00 0.00 H new ATOM 0 HB2 HIS A 393 13.314 -2.754 -6.468 1.00 0.00 H new ATOM 0 HB3 HIS A 393 12.047 -3.736 -5.760 1.00 0.00 H new ATOM 0 HD1 HIS A 393 15.328 -4.123 -7.715 1.00 0.00 H new ATOM 0 HD2 HIS A 393 12.117 -6.425 -6.266 1.00 0.00 H new ATOM 0 HE1 HIS A 393 15.968 -6.582 -8.054 1.00 0.00 H new ATOM 869 N MET A 394 9.784 -4.781 -7.464 1.00 0.00 N ATOM 870 CA MET A 394 8.876 -5.887 -7.811 1.00 0.00 C ATOM 871 C MET A 394 8.274 -5.735 -9.217 1.00 0.00 C ATOM 872 O MET A 394 7.963 -6.750 -9.842 1.00 0.00 O ATOM 873 CB MET A 394 7.783 -6.173 -6.758 1.00 0.00 C ATOM 874 CG MET A 394 6.436 -5.432 -6.885 1.00 0.00 C ATOM 875 SD MET A 394 4.969 -6.397 -6.411 1.00 0.00 S ATOM 876 CE MET A 394 5.337 -6.725 -4.670 1.00 0.00 C ATOM 0 H MET A 394 9.516 -4.264 -6.626 1.00 0.00 H new ATOM 0 HA MET A 394 9.516 -6.769 -7.815 1.00 0.00 H new ATOM 0 HB2 MET A 394 7.577 -7.243 -6.774 1.00 0.00 H new ATOM 0 HB3 MET A 394 8.198 -5.943 -5.777 1.00 0.00 H new ATOM 0 HG2 MET A 394 6.475 -4.534 -6.268 1.00 0.00 H new ATOM 0 HG3 MET A 394 6.317 -5.104 -7.918 1.00 0.00 H new ATOM 0 HE1 MET A 394 4.556 -7.356 -4.246 1.00 0.00 H new ATOM 0 HE2 MET A 394 6.297 -7.234 -4.591 1.00 0.00 H new ATOM 0 HE3 MET A 394 5.380 -5.783 -4.123 1.00 0.00 H new ATOM 886 N THR A 395 8.126 -4.500 -9.727 1.00 0.00 N ATOM 887 CA THR A 395 7.631 -4.283 -11.105 1.00 0.00 C ATOM 888 C THR A 395 8.708 -4.648 -12.132 1.00 0.00 C ATOM 889 O THR A 395 8.394 -5.245 -13.164 1.00 0.00 O ATOM 890 CB THR A 395 7.090 -2.868 -11.399 1.00 0.00 C ATOM 891 OG1 THR A 395 8.076 -1.864 -11.427 1.00 0.00 O ATOM 892 CG2 THR A 395 5.987 -2.427 -10.445 1.00 0.00 C ATOM 0 H THR A 395 8.338 -3.643 -9.216 1.00 0.00 H new ATOM 0 HA THR A 395 6.772 -4.948 -11.193 1.00 0.00 H new ATOM 0 HB THR A 395 6.678 -2.976 -12.402 1.00 0.00 H new ATOM 0 HG1 THR A 395 8.759 -2.058 -10.752 1.00 0.00 H new ATOM 0 HG21 THR A 395 5.655 -1.424 -10.711 1.00 0.00 H new ATOM 0 HG22 THR A 395 5.147 -3.118 -10.516 1.00 0.00 H new ATOM 0 HG23 THR A 395 6.369 -2.424 -9.424 1.00 0.00 H new ATOM 900 N HIS A 396 9.980 -4.337 -11.845 1.00 0.00 N ATOM 901 CA HIS A 396 11.111 -4.701 -12.713 1.00 0.00 C ATOM 902 C HIS A 396 11.583 -6.170 -12.555 1.00 0.00 C ATOM 903 O HIS A 396 12.168 -6.738 -13.482 1.00 0.00 O ATOM 904 CB HIS A 396 12.281 -3.741 -12.442 1.00 0.00 C ATOM 905 CG HIS A 396 12.027 -2.339 -12.937 1.00 0.00 C ATOM 906 ND1 HIS A 396 11.288 -1.366 -12.304 1.00 0.00 N ATOM 907 CD2 HIS A 396 12.455 -1.808 -14.125 1.00 0.00 C ATOM 908 CE1 HIS A 396 11.258 -0.279 -13.092 1.00 0.00 C ATOM 909 NE2 HIS A 396 11.965 -0.496 -14.216 1.00 0.00 N ATOM 0 H HIS A 396 10.255 -3.827 -11.006 1.00 0.00 H new ATOM 0 HA HIS A 396 10.760 -4.612 -13.741 1.00 0.00 H new ATOM 0 HB2 HIS A 396 12.477 -3.711 -11.370 1.00 0.00 H new ATOM 0 HB3 HIS A 396 13.180 -4.131 -12.920 1.00 0.00 H new ATOM 0 HD1 HIS A 396 10.840 -1.455 -11.392 1.00 0.00 H new ATOM 0 HD2 HIS A 396 13.063 -2.311 -14.862 1.00 0.00 H new ATOM 0 HE1 HIS A 396 10.740 0.639 -12.857 1.00 0.00 H new ATOM 917 N CYS A 397 11.367 -6.769 -11.380 1.00 0.00 N ATOM 918 CA CYS A 397 11.789 -8.105 -10.965 1.00 0.00 C ATOM 919 C CYS A 397 11.164 -9.243 -11.789 1.00 0.00 C ATOM 920 O CYS A 397 9.954 -9.271 -12.040 1.00 0.00 O ATOM 921 CB CYS A 397 11.453 -8.241 -9.472 1.00 0.00 C ATOM 922 SG CYS A 397 12.179 -9.729 -8.739 1.00 0.00 S ATOM 0 H CYS A 397 10.852 -6.293 -10.639 1.00 0.00 H new ATOM 0 HA CYS A 397 12.860 -8.205 -11.143 1.00 0.00 H new ATOM 0 HB2 CYS A 397 11.815 -7.362 -8.939 1.00 0.00 H new ATOM 0 HB3 CYS A 397 10.371 -8.267 -9.346 1.00 0.00 H new ATOM 0 HG CYS A 397 13.098 -9.388 -7.886 1.00 0.00 H new ATOM 927 N GLN A 398 12.007 -10.208 -12.163 1.00 0.00 N ATOM 928 CA GLN A 398 11.633 -11.394 -12.945 1.00 0.00 C ATOM 929 C GLN A 398 11.846 -12.718 -12.191 1.00 0.00 C ATOM 930 O GLN A 398 11.287 -13.738 -12.598 1.00 0.00 O ATOM 931 CB GLN A 398 12.378 -11.375 -14.293 1.00 0.00 C ATOM 932 CG GLN A 398 11.926 -10.207 -15.189 1.00 0.00 C ATOM 933 CD GLN A 398 12.691 -10.128 -16.513 1.00 0.00 C ATOM 934 OE1 GLN A 398 13.092 -11.121 -17.110 1.00 0.00 O ATOM 935 NE2 GLN A 398 12.928 -8.939 -17.030 1.00 0.00 N ATOM 0 H GLN A 398 12.998 -10.187 -11.924 1.00 0.00 H new ATOM 0 HA GLN A 398 10.559 -11.344 -13.125 1.00 0.00 H new ATOM 0 HB2 GLN A 398 13.450 -11.299 -14.113 1.00 0.00 H new ATOM 0 HB3 GLN A 398 12.208 -12.317 -14.814 1.00 0.00 H new ATOM 0 HG2 GLN A 398 10.861 -10.310 -15.398 1.00 0.00 H new ATOM 0 HG3 GLN A 398 12.055 -9.271 -14.646 1.00 0.00 H new ATOM 0 HE21 GLN A 398 12.603 -8.100 -16.550 1.00 0.00 H new ATOM 0 HE22 GLN A 398 13.436 -8.858 -17.911 1.00 0.00 H new ATOM 944 N ALA A 399 12.585 -12.719 -11.073 1.00 0.00 N ATOM 945 CA ALA A 399 12.748 -13.910 -10.241 1.00 0.00 C ATOM 946 C ALA A 399 11.540 -14.118 -9.319 1.00 0.00 C ATOM 947 O ALA A 399 11.012 -15.227 -9.243 1.00 0.00 O ATOM 948 CB ALA A 399 14.013 -13.801 -9.377 1.00 0.00 C ATOM 0 H ALA A 399 13.082 -11.899 -10.725 1.00 0.00 H new ATOM 0 HA ALA A 399 12.834 -14.762 -10.916 1.00 0.00 H new ATOM 0 HB1 ALA A 399 14.115 -14.698 -8.766 1.00 0.00 H new ATOM 0 HB2 ALA A 399 14.886 -13.700 -10.022 1.00 0.00 H new ATOM 0 HB3 ALA A 399 13.937 -12.927 -8.729 1.00 0.00 H new ATOM 954 N PRO A 400 11.135 -13.056 -8.612 1.00 0.00 N ATOM 955 CA PRO A 400 10.065 -13.006 -7.604 1.00 0.00 C ATOM 956 C PRO A 400 10.280 -13.930 -6.390 1.00 0.00 C ATOM 957 O PRO A 400 10.464 -13.461 -5.267 1.00 0.00 O ATOM 961 N LYS A 401 10.296 -15.247 -6.624 1.00 0.00 N ATOM 962 CA LYS A 401 10.542 -16.322 -5.641 1.00 0.00 C ATOM 963 C LYS A 401 12.034 -16.500 -5.366 1.00 0.00 C ATOM 964 O LYS A 401 12.468 -16.542 -4.217 1.00 0.00 O ATOM 965 CB LYS A 401 9.895 -17.627 -6.151 1.00 0.00 C ATOM 966 CG LYS A 401 10.022 -18.833 -5.198 1.00 0.00 C ATOM 967 CD LYS A 401 9.385 -18.589 -3.822 1.00 0.00 C ATOM 968 CE LYS A 401 9.249 -19.903 -3.042 1.00 0.00 C ATOM 969 NZ LYS A 401 8.657 -19.683 -1.696 1.00 0.00 N ATOM 0 H LYS A 401 10.128 -15.619 -7.559 1.00 0.00 H new ATOM 0 HA LYS A 401 10.086 -16.049 -4.689 1.00 0.00 H new ATOM 0 HB2 LYS A 401 8.837 -17.441 -6.339 1.00 0.00 H new ATOM 0 HB3 LYS A 401 10.347 -17.890 -7.107 1.00 0.00 H new ATOM 0 HG2 LYS A 401 9.553 -19.702 -5.659 1.00 0.00 H new ATOM 0 HG3 LYS A 401 11.077 -19.073 -5.065 1.00 0.00 H new ATOM 0 HD2 LYS A 401 9.994 -17.886 -3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 401 8.403 -18.132 -3.947 1.00 0.00 H new ATOM 0 HE2 LYS A 401 8.626 -20.598 -3.605 1.00 0.00 H new ATOM 0 HE3 LYS A 401 10.229 -20.367 -2.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 8.315 -20.588 -1.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 9.379 -19.290 -1.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 7.862 -19.017 -1.771 1.00 0.00 H new ATOM 983 N ALA A 402 12.817 -16.567 -6.446 1.00 0.00 N ATOM 984 CA ALA A 402 14.274 -16.696 -6.423 1.00 0.00 C ATOM 985 C ALA A 402 14.975 -15.372 -6.051 1.00 0.00 C ATOM 986 O ALA A 402 16.178 -15.363 -5.785 1.00 0.00 O ATOM 987 CB ALA A 402 14.746 -17.269 -7.768 1.00 0.00 C ATOM 0 H ALA A 402 12.439 -16.532 -7.393 1.00 0.00 H new ATOM 0 HA ALA A 402 14.559 -17.392 -5.634 1.00 0.00 H new ATOM 0 HB1 ALA A 402 15.831 -17.369 -7.760 1.00 0.00 H new ATOM 0 HB2 ALA A 402 14.293 -18.248 -7.926 1.00 0.00 H new ATOM 0 HB3 ALA A 402 14.449 -16.598 -8.574 1.00 0.00 H new ATOM 993 N CYS A 403 14.224 -14.258 -5.996 1.00 0.00 N ATOM 994 CA CYS A 403 14.662 -12.922 -5.605 1.00 0.00 C ATOM 995 C CYS A 403 14.717 -12.806 -4.080 1.00 0.00 C ATOM 996 O CYS A 403 14.151 -11.897 -3.476 1.00 0.00 O ATOM 997 CB CYS A 403 13.806 -11.808 -6.180 1.00 0.00 C ATOM 998 SG CYS A 403 14.835 -10.310 -6.277 1.00 0.00 S ATOM 0 H CYS A 403 13.234 -14.276 -6.240 1.00 0.00 H new ATOM 0 HA CYS A 403 15.659 -12.795 -6.026 1.00 0.00 H new ATOM 0 HB2 CYS A 403 13.436 -12.082 -7.168 1.00 0.00 H new ATOM 0 HB3 CYS A 403 12.934 -11.632 -5.550 1.00 0.00 H new ATOM 0 HG CYS A 403 15.240 -9.984 -5.085 1.00 0.00 H new ATOM 1003 N GLN A 404 15.352 -13.809 -3.490 1.00 0.00 N ATOM 1004 CA GLN A 404 15.652 -14.082 -2.080 1.00 0.00 C ATOM 1005 C GLN A 404 15.973 -12.846 -1.204 1.00 0.00 C ATOM 1006 O GLN A 404 16.010 -12.976 0.022 1.00 0.00 O ATOM 1007 CB GLN A 404 16.751 -15.164 -2.033 1.00 0.00 C ATOM 1008 CG GLN A 404 16.882 -15.879 -0.676 1.00 0.00 C ATOM 1009 CD GLN A 404 17.873 -17.046 -0.724 1.00 0.00 C ATOM 1010 OE1 GLN A 404 19.000 -16.929 -1.189 1.00 0.00 O ATOM 1011 NE2 GLN A 404 17.502 -18.216 -0.244 1.00 0.00 N ATOM 0 H GLN A 404 15.724 -14.561 -4.070 1.00 0.00 H new ATOM 0 HA GLN A 404 14.736 -14.444 -1.613 1.00 0.00 H new ATOM 0 HB2 GLN A 404 16.545 -15.907 -2.803 1.00 0.00 H new ATOM 0 HB3 GLN A 404 17.707 -14.704 -2.281 1.00 0.00 H new ATOM 0 HG2 GLN A 404 17.205 -15.163 0.079 1.00 0.00 H new ATOM 0 HG3 GLN A 404 15.904 -16.249 -0.367 1.00 0.00 H new ATOM 0 HE21 GLN A 404 16.567 -18.334 0.148 1.00 0.00 H new ATOM 0 HE22 GLN A 404 18.149 -19.004 -0.264 1.00 0.00 H new ATOM 1020 N VAL A 405 16.155 -11.650 -1.792 1.00 0.00 N ATOM 1021 CA VAL A 405 16.279 -10.375 -1.054 1.00 0.00 C ATOM 1022 C VAL A 405 15.067 -10.276 -0.119 1.00 0.00 C ATOM 1023 O VAL A 405 13.937 -10.257 -0.603 1.00 0.00 O ATOM 1024 CB VAL A 405 16.284 -9.163 -2.012 1.00 0.00 C ATOM 1025 CG1 VAL A 405 16.478 -7.848 -1.247 1.00 0.00 C ATOM 1026 CG2 VAL A 405 17.383 -9.258 -3.070 1.00 0.00 C ATOM 0 H VAL A 405 16.221 -11.538 -2.804 1.00 0.00 H new ATOM 0 HA VAL A 405 17.220 -10.361 -0.503 1.00 0.00 H new ATOM 0 HB VAL A 405 15.312 -9.175 -2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 405 16.477 -7.015 -1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 405 15.666 -7.720 -0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 405 17.429 -7.873 -0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 405 17.342 -8.382 -3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 405 18.356 -9.303 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 405 17.236 -10.157 -3.668 1.00 0.00 H new ATOM 1036 N ALA A 406 15.288 -10.276 1.200 1.00 0.00 N ATOM 1037 CA ALA A 406 14.248 -10.343 2.237 1.00 0.00 C ATOM 1038 C ALA A 406 12.917 -9.648 1.892 1.00 0.00 C ATOM 1039 O ALA A 406 11.875 -10.305 1.767 1.00 0.00 O ATOM 1040 CB ALA A 406 14.849 -9.829 3.552 1.00 0.00 C ATOM 0 H ALA A 406 16.229 -10.228 1.591 1.00 0.00 H new ATOM 0 HA ALA A 406 13.952 -11.388 2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 406 14.094 -9.869 4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 406 15.698 -10.452 3.832 1.00 0.00 H new ATOM 0 HB3 ALA A 406 15.182 -8.799 3.422 1.00 0.00 H new ATOM 1046 N HIS A 407 12.961 -8.326 1.714 1.00 0.00 N ATOM 1047 CA HIS A 407 11.770 -7.536 1.405 1.00 0.00 C ATOM 1048 C HIS A 407 11.147 -7.874 0.045 1.00 0.00 C ATOM 1049 O HIS A 407 9.927 -7.960 -0.002 1.00 0.00 O ATOM 1050 CB HIS A 407 12.043 -6.028 1.526 1.00 0.00 C ATOM 1051 CG HIS A 407 12.556 -5.617 2.885 1.00 0.00 C ATOM 1052 ND1 HIS A 407 11.872 -5.716 4.076 1.00 0.00 N ATOM 1053 CD2 HIS A 407 13.786 -5.087 3.171 1.00 0.00 C ATOM 1054 CE1 HIS A 407 12.665 -5.258 5.057 1.00 0.00 C ATOM 1055 NE2 HIS A 407 13.850 -4.862 4.555 1.00 0.00 N ATOM 0 H HIS A 407 13.818 -7.777 1.780 1.00 0.00 H new ATOM 0 HA HIS A 407 11.032 -7.814 2.157 1.00 0.00 H new ATOM 0 HB2 HIS A 407 12.770 -5.736 0.768 1.00 0.00 H new ATOM 0 HB3 HIS A 407 11.124 -5.482 1.313 1.00 0.00 H new ATOM 0 HD1 HIS A 407 10.925 -6.076 4.193 1.00 0.00 H new ATOM 0 HD2 HIS A 407 14.569 -4.879 2.457 1.00 0.00 H new ATOM 0 HE1 HIS A 407 12.392 -5.213 6.101 1.00 0.00 H new ATOM 1063 N CYS A 408 11.916 -8.105 -1.031 1.00 0.00 N ATOM 1064 CA CYS A 408 11.344 -8.431 -2.344 1.00 0.00 C ATOM 1065 C CYS A 408 10.729 -9.843 -2.378 1.00 0.00 C ATOM 1066 O CYS A 408 9.561 -9.983 -2.761 1.00 0.00 O ATOM 1067 CB CYS A 408 12.419 -8.277 -3.430 1.00 0.00 C ATOM 1068 SG CYS A 408 11.736 -8.706 -5.065 1.00 0.00 S ATOM 0 H CYS A 408 12.935 -8.072 -1.016 1.00 0.00 H new ATOM 0 HA CYS A 408 10.531 -7.731 -2.538 1.00 0.00 H new ATOM 0 HB2 CYS A 408 12.790 -7.252 -3.441 1.00 0.00 H new ATOM 0 HB3 CYS A 408 13.269 -8.921 -3.203 1.00 0.00 H new ATOM 0 HG CYS A 408 12.636 -9.336 -5.760 1.00 0.00 H new ATOM 1073 N ALA A 409 11.466 -10.868 -1.926 1.00 0.00 N ATOM 1074 CA ALA A 409 10.961 -12.241 -1.837 1.00 0.00 C ATOM 1075 C ALA A 409 9.648 -12.249 -1.038 1.00 0.00 C ATOM 1076 O ALA A 409 8.631 -12.781 -1.507 1.00 0.00 O ATOM 1077 CB ALA A 409 12.022 -13.164 -1.220 1.00 0.00 C ATOM 0 H ALA A 409 12.431 -10.765 -1.612 1.00 0.00 H new ATOM 0 HA ALA A 409 10.751 -12.624 -2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 409 11.631 -14.180 -1.161 1.00 0.00 H new ATOM 0 HB2 ALA A 409 12.917 -13.155 -1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 409 12.272 -12.813 -0.219 1.00 0.00 H new ATOM 1083 N SER A 410 9.644 -11.580 0.128 1.00 0.00 N ATOM 1084 CA SER A 410 8.425 -11.427 0.924 1.00 0.00 C ATOM 1085 C SER A 410 7.344 -10.711 0.113 1.00 0.00 C ATOM 1086 O SER A 410 6.281 -11.289 -0.085 1.00 0.00 O ATOM 1087 CB SER A 410 8.681 -10.678 2.239 1.00 0.00 C ATOM 1088 OG SER A 410 9.592 -11.385 3.059 1.00 0.00 O ATOM 0 H SER A 410 10.470 -11.140 0.534 1.00 0.00 H new ATOM 0 HA SER A 410 8.081 -12.429 1.180 1.00 0.00 H new ATOM 0 HB2 SER A 410 9.075 -9.685 2.025 1.00 0.00 H new ATOM 0 HB3 SER A 410 7.740 -10.539 2.771 1.00 0.00 H new ATOM 0 HG SER A 410 10.509 -11.168 2.792 1.00 0.00 H new ATOM 1094 N SER A 411 7.604 -9.494 -0.387 1.00 0.00 N ATOM 1095 CA SER A 411 6.661 -8.660 -1.152 1.00 0.00 C ATOM 1096 C SER A 411 5.883 -9.428 -2.215 1.00 0.00 C ATOM 1097 O SER A 411 4.651 -9.410 -2.205 1.00 0.00 O ATOM 1098 CB SER A 411 7.386 -7.444 -1.783 1.00 0.00 C ATOM 1099 OG SER A 411 8.057 -7.711 -2.996 1.00 0.00 O ATOM 0 H SER A 411 8.512 -9.045 -0.266 1.00 0.00 H new ATOM 0 HA SER A 411 5.924 -8.308 -0.430 1.00 0.00 H new ATOM 0 HB2 SER A 411 6.655 -6.654 -1.956 1.00 0.00 H new ATOM 0 HB3 SER A 411 8.108 -7.058 -1.064 1.00 0.00 H new ATOM 0 HG SER A 411 8.581 -8.534 -2.906 1.00 0.00 H new ATOM 1105 N ARG A 412 6.577 -10.137 -3.110 1.00 0.00 N ATOM 1106 CA ARG A 412 5.934 -10.907 -4.174 1.00 0.00 C ATOM 1107 C ARG A 412 5.212 -12.125 -3.610 1.00 0.00 C ATOM 1108 O ARG A 412 4.106 -12.401 -4.066 1.00 0.00 O ATOM 1109 CB ARG A 412 6.951 -11.261 -5.275 1.00 0.00 C ATOM 1110 CG ARG A 412 7.232 -10.044 -6.183 1.00 0.00 C ATOM 1111 CD ARG A 412 6.429 -10.031 -7.496 1.00 0.00 C ATOM 1112 NE ARG A 412 6.929 -11.020 -8.478 1.00 0.00 N ATOM 1113 CZ ARG A 412 7.641 -10.792 -9.574 1.00 0.00 C ATOM 1114 NH1 ARG A 412 8.007 -9.606 -9.964 1.00 0.00 N ATOM 1115 NH2 ARG A 412 8.012 -11.779 -10.336 1.00 0.00 N ATOM 0 H ARG A 412 7.595 -10.192 -3.116 1.00 0.00 H new ATOM 0 HA ARG A 412 5.167 -10.291 -4.643 1.00 0.00 H new ATOM 0 HB2 ARG A 412 7.881 -11.602 -4.820 1.00 0.00 H new ATOM 0 HB3 ARG A 412 6.569 -12.087 -5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 412 7.011 -9.133 -5.627 1.00 0.00 H new ATOM 0 HG3 ARG A 412 8.295 -10.022 -6.421 1.00 0.00 H new ATOM 0 HD2 ARG A 412 5.381 -10.238 -7.279 1.00 0.00 H new ATOM 0 HD3 ARG A 412 6.473 -9.034 -7.935 1.00 0.00 H new ATOM 0 HE ARG A 412 6.698 -11.995 -8.289 1.00 0.00 H new ATOM 0 HH11 ARG A 412 7.746 -8.786 -9.416 1.00 0.00 H new ATOM 0 HH12 ARG A 412 8.555 -9.496 -10.818 1.00 0.00 H new ATOM 0 HH21 ARG A 412 7.756 -12.736 -10.092 1.00 0.00 H new ATOM 0 HH22 ARG A 412 8.559 -11.596 -11.177 1.00 0.00 H new ATOM 1129 N GLN A 413 5.757 -12.818 -2.601 1.00 0.00 N ATOM 1130 CA GLN A 413 5.037 -13.938 -1.974 1.00 0.00 C ATOM 1131 C GLN A 413 3.721 -13.490 -1.305 1.00 0.00 C ATOM 1132 O GLN A 413 2.691 -14.126 -1.545 1.00 0.00 O ATOM 1133 CB GLN A 413 5.944 -14.701 -0.994 1.00 0.00 C ATOM 1134 CG GLN A 413 7.026 -15.539 -1.701 1.00 0.00 C ATOM 1135 CD GLN A 413 6.474 -16.786 -2.386 1.00 0.00 C ATOM 1136 OE1 GLN A 413 6.425 -17.869 -1.815 1.00 0.00 O ATOM 1137 NE2 GLN A 413 6.086 -16.715 -3.642 1.00 0.00 N ATOM 0 H GLN A 413 6.678 -12.629 -2.206 1.00 0.00 H new ATOM 0 HA GLN A 413 4.757 -14.625 -2.772 1.00 0.00 H new ATOM 0 HB2 GLN A 413 6.425 -13.989 -0.323 1.00 0.00 H new ATOM 0 HB3 GLN A 413 5.331 -15.357 -0.376 1.00 0.00 H new ATOM 0 HG2 GLN A 413 7.529 -14.918 -2.443 1.00 0.00 H new ATOM 0 HG3 GLN A 413 7.779 -15.837 -0.971 1.00 0.00 H new ATOM 0 HE21 GLN A 413 6.119 -15.823 -4.136 1.00 0.00 H new ATOM 0 HE22 GLN A 413 5.753 -17.552 -4.121 1.00 0.00 H new ATOM 1146 N ILE A 414 3.698 -12.389 -0.536 1.00 0.00 N ATOM 1147 CA ILE A 414 2.451 -11.886 0.070 1.00 0.00 C ATOM 1148 C ILE A 414 1.436 -11.381 -0.953 1.00 0.00 C ATOM 1149 O ILE A 414 0.250 -11.696 -0.851 1.00 0.00 O ATOM 1150 CB ILE A 414 2.627 -10.814 1.182 1.00 0.00 C ATOM 1151 CG1 ILE A 414 3.828 -9.843 1.168 1.00 0.00 C ATOM 1152 CG2 ILE A 414 2.352 -11.484 2.540 1.00 0.00 C ATOM 1153 CD1 ILE A 414 4.897 -10.071 2.244 1.00 0.00 C ATOM 0 H ILE A 414 4.524 -11.831 -0.319 1.00 0.00 H new ATOM 0 HA ILE A 414 2.063 -12.783 0.553 1.00 0.00 H new ATOM 0 HB ILE A 414 1.884 -10.054 0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 414 4.307 -9.905 0.191 1.00 0.00 H new ATOM 0 HG13 ILE A 414 3.448 -8.827 1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 414 2.469 -10.751 3.338 1.00 0.00 H new ATOM 0 HG22 ILE A 414 1.335 -11.875 2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 414 3.057 -12.301 2.692 1.00 0.00 H new ATOM 0 HD11 ILE A 414 5.688 -9.330 2.134 1.00 0.00 H new ATOM 0 HD12 ILE A 414 4.445 -9.975 3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 414 5.318 -11.070 2.133 1.00 0.00 H new ATOM 1165 N ILE A 415 1.877 -10.595 -1.932 1.00 0.00 N ATOM 1166 CA ILE A 415 0.959 -10.025 -2.928 1.00 0.00 C ATOM 1167 C ILE A 415 0.432 -11.111 -3.891 1.00 0.00 C ATOM 1168 O ILE A 415 -0.744 -11.093 -4.253 1.00 0.00 O ATOM 1169 CB ILE A 415 1.652 -8.802 -3.561 1.00 0.00 C ATOM 1170 CG1 ILE A 415 1.290 -7.548 -2.721 1.00 0.00 C ATOM 1171 CG2 ILE A 415 1.356 -8.656 -5.056 1.00 0.00 C ATOM 1172 CD1 ILE A 415 1.667 -6.202 -3.350 1.00 0.00 C ATOM 0 H ILE A 415 2.855 -10.337 -2.061 1.00 0.00 H new ATOM 0 HA ILE A 415 0.038 -9.651 -2.480 1.00 0.00 H new ATOM 0 HB ILE A 415 2.733 -8.938 -3.531 1.00 0.00 H new ATOM 0 HG12 ILE A 415 0.216 -7.554 -2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 415 1.782 -7.627 -1.752 1.00 0.00 H new ATOM 0 HG21 ILE A 415 1.871 -7.778 -5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 415 1.703 -9.544 -5.584 1.00 0.00 H new ATOM 0 HG23 ILE A 415 0.282 -8.542 -5.205 1.00 0.00 H new ATOM 0 HD11 ILE A 415 1.371 -5.393 -2.683 1.00 0.00 H new ATOM 0 HD12 ILE A 415 2.745 -6.164 -3.510 1.00 0.00 H new ATOM 0 HD13 ILE A 415 1.154 -6.090 -4.305 1.00 0.00 H new ATOM 1184 N SER A 416 1.247 -12.111 -4.245 1.00 0.00 N ATOM 1185 CA SER A 416 0.829 -13.270 -5.051 1.00 0.00 C ATOM 1186 C SER A 416 -0.162 -14.133 -4.258 1.00 0.00 C ATOM 1187 O SER A 416 -1.192 -14.548 -4.802 1.00 0.00 O ATOM 1188 CB SER A 416 2.030 -14.093 -5.489 1.00 0.00 C ATOM 1189 OG SER A 416 1.629 -15.164 -6.328 1.00 0.00 O ATOM 0 H SER A 416 2.231 -12.141 -3.977 1.00 0.00 H new ATOM 0 HA SER A 416 0.333 -12.904 -5.950 1.00 0.00 H new ATOM 0 HB2 SER A 416 2.739 -13.456 -6.018 1.00 0.00 H new ATOM 0 HB3 SER A 416 2.546 -14.485 -4.613 1.00 0.00 H new ATOM 0 HG SER A 416 2.417 -15.680 -6.599 1.00 0.00 H new ATOM 1195 N HIS A 417 0.087 -14.335 -2.951 1.00 0.00 N ATOM 1196 CA HIS A 417 -0.864 -15.003 -2.058 1.00 0.00 C ATOM 1197 C HIS A 417 -2.212 -14.274 -2.147 1.00 0.00 C ATOM 1198 O HIS A 417 -3.219 -14.892 -2.473 1.00 0.00 O ATOM 1199 CB HIS A 417 -0.352 -15.050 -0.593 1.00 0.00 C ATOM 1200 CG HIS A 417 -1.486 -15.139 0.412 1.00 0.00 C ATOM 1201 ND1 HIS A 417 -2.174 -14.059 0.910 1.00 0.00 N flip ATOM 1202 CD2 HIS A 417 -2.274 -16.247 0.629 1.00 0.00 C flip ATOM 1203 CE1 HIS A 417 -3.438 -14.501 1.315 1.00 0.00 C flip ATOM 1204 NE2 HIS A 417 -3.436 -15.837 1.165 1.00 0.00 N flip ATOM 0 H HIS A 417 0.949 -14.040 -2.491 1.00 0.00 H new ATOM 0 HA HIS A 417 -0.980 -16.039 -2.376 1.00 0.00 H new ATOM 0 HB2 HIS A 417 0.308 -15.908 -0.469 1.00 0.00 H new ATOM 0 HB3 HIS A 417 0.242 -14.159 -0.389 1.00 0.00 H new ATOM 0 HD1 HIS A 417 -1.825 -13.103 0.973 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -2.005 -17.269 0.407 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -4.253 -13.891 1.676 1.00 0.00 H new ATOM 1212 N TRP A 418 -2.225 -12.961 -1.893 1.00 0.00 N ATOM 1213 CA TRP A 418 -3.423 -12.119 -1.884 1.00 0.00 C ATOM 1214 C TRP A 418 -4.197 -12.156 -3.206 1.00 0.00 C ATOM 1215 O TRP A 418 -5.433 -12.178 -3.194 1.00 0.00 O ATOM 1216 CB TRP A 418 -2.968 -10.706 -1.537 1.00 0.00 C ATOM 1217 CG TRP A 418 -3.988 -9.724 -1.071 1.00 0.00 C ATOM 1218 CD1 TRP A 418 -4.915 -9.096 -1.815 1.00 0.00 C ATOM 1219 CD2 TRP A 418 -4.116 -9.141 0.244 1.00 0.00 C ATOM 1220 NE1 TRP A 418 -5.444 -8.028 -1.127 1.00 0.00 N ATOM 1221 CE2 TRP A 418 -4.926 -7.975 0.141 1.00 0.00 C ATOM 1222 CE3 TRP A 418 -3.592 -9.464 1.502 1.00 0.00 C ATOM 1223 CZ2 TRP A 418 -5.066 -7.071 1.190 1.00 0.00 C ATOM 1224 CZ3 TRP A 418 -3.734 -8.571 2.569 1.00 0.00 C ATOM 1225 CH2 TRP A 418 -4.430 -7.367 2.404 1.00 0.00 C ATOM 0 H TRP A 418 -1.374 -12.440 -1.681 1.00 0.00 H new ATOM 0 HA TRP A 418 -4.129 -12.497 -1.144 1.00 0.00 H new ATOM 0 HB2 TRP A 418 -2.205 -10.784 -0.762 1.00 0.00 H new ATOM 0 HB3 TRP A 418 -2.484 -10.288 -2.420 1.00 0.00 H new ATOM 0 HD1 TRP A 418 -5.204 -9.389 -2.813 1.00 0.00 H new ATOM 0 HE1 TRP A 418 -6.124 -7.370 -1.506 1.00 0.00 H new ATOM 0 HE3 TRP A 418 -3.078 -10.403 1.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 418 -5.647 -6.168 1.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 418 -3.303 -8.812 3.529 1.00 0.00 H new ATOM 0 HH2 TRP A 418 -4.477 -6.660 3.219 1.00 0.00 H new ATOM 1236 N LYS A 419 -3.476 -12.209 -4.339 1.00 0.00 N ATOM 1237 CA LYS A 419 -4.069 -12.350 -5.682 1.00 0.00 C ATOM 1238 C LYS A 419 -4.790 -13.693 -5.844 1.00 0.00 C ATOM 1239 O LYS A 419 -5.903 -13.738 -6.372 1.00 0.00 O ATOM 1240 CB LYS A 419 -2.967 -12.236 -6.748 1.00 0.00 C ATOM 1241 CG LYS A 419 -2.569 -10.789 -7.061 1.00 0.00 C ATOM 1242 CD LYS A 419 -1.238 -10.784 -7.830 1.00 0.00 C ATOM 1243 CE LYS A 419 -1.002 -9.519 -8.663 1.00 0.00 C ATOM 1244 NZ LYS A 419 -1.050 -8.267 -7.861 1.00 0.00 N ATOM 0 H LYS A 419 -2.457 -12.155 -4.350 1.00 0.00 H new ATOM 0 HA LYS A 419 -4.801 -11.552 -5.808 1.00 0.00 H new ATOM 0 HB2 LYS A 419 -2.086 -12.782 -6.409 1.00 0.00 H new ATOM 0 HB3 LYS A 419 -3.307 -12.718 -7.665 1.00 0.00 H new ATOM 0 HG2 LYS A 419 -3.346 -10.306 -7.653 1.00 0.00 H new ATOM 0 HG3 LYS A 419 -2.471 -10.219 -6.137 1.00 0.00 H new ATOM 0 HD2 LYS A 419 -0.419 -10.896 -7.119 1.00 0.00 H new ATOM 0 HD3 LYS A 419 -1.208 -11.651 -8.490 1.00 0.00 H new ATOM 0 HE2 LYS A 419 -0.031 -9.591 -9.153 1.00 0.00 H new ATOM 0 HE3 LYS A 419 -1.753 -9.466 -9.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 419 -1.849 -7.682 -8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 419 -1.171 -8.503 -6.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 419 -0.163 -7.739 -7.988 1.00 0.00 H new ATOM 1258 N ASN A 420 -4.161 -14.784 -5.398 1.00 0.00 N ATOM 1259 CA ASN A 420 -4.712 -16.142 -5.484 1.00 0.00 C ATOM 1260 C ASN A 420 -5.750 -16.487 -4.388 1.00 0.00 C ATOM 1261 O ASN A 420 -6.544 -17.411 -4.574 1.00 0.00 O ATOM 1262 CB ASN A 420 -3.540 -17.141 -5.459 1.00 0.00 C ATOM 1263 CG ASN A 420 -2.775 -17.169 -6.774 1.00 0.00 C ATOM 1264 OD1 ASN A 420 -3.150 -17.848 -7.721 1.00 0.00 O ATOM 1265 ND2 ASN A 420 -1.693 -16.434 -6.890 1.00 0.00 N ATOM 0 H ASN A 420 -3.240 -14.749 -4.960 1.00 0.00 H new ATOM 0 HA ASN A 420 -5.269 -16.206 -6.419 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -2.858 -16.877 -4.650 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -3.921 -18.139 -5.242 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -1.170 -16.431 -7.766 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -1.376 -15.866 -6.104 1.00 0.00 H new ATOM 1272 N CYS A 421 -5.727 -15.796 -3.243 1.00 0.00 N ATOM 1273 CA CYS A 421 -6.553 -16.042 -2.065 1.00 0.00 C ATOM 1274 C CYS A 421 -8.072 -15.936 -2.301 1.00 0.00 C ATOM 1275 O CYS A 421 -8.629 -14.845 -2.475 1.00 0.00 O ATOM 1276 CB CYS A 421 -6.084 -15.114 -0.938 1.00 0.00 C ATOM 1277 SG CYS A 421 -6.725 -15.669 0.671 1.00 0.00 S ATOM 0 H CYS A 421 -5.095 -15.007 -3.110 1.00 0.00 H new ATOM 0 HA CYS A 421 -6.412 -17.086 -1.786 1.00 0.00 H new ATOM 0 HB2 CYS A 421 -4.995 -15.090 -0.911 1.00 0.00 H new ATOM 0 HB3 CYS A 421 -6.420 -14.096 -1.136 1.00 0.00 H new ATOM 0 HG CYS A 421 -5.731 -15.964 1.456 1.00 0.00 H new ATOM 1282 N THR A 422 -8.738 -17.090 -2.258 1.00 0.00 N ATOM 1283 CA THR A 422 -10.202 -17.249 -2.349 1.00 0.00 C ATOM 1284 C THR A 422 -10.846 -17.392 -0.961 1.00 0.00 C ATOM 1285 O THR A 422 -12.076 -17.360 -0.840 1.00 0.00 O ATOM 1286 CB THR A 422 -10.570 -18.486 -3.186 1.00 0.00 C ATOM 1287 OG1 THR A 422 -9.910 -19.630 -2.675 1.00 0.00 O ATOM 1288 CG2 THR A 422 -10.172 -18.331 -4.654 1.00 0.00 C ATOM 0 H THR A 422 -8.257 -17.983 -2.154 1.00 0.00 H new ATOM 0 HA THR A 422 -10.583 -16.348 -2.829 1.00 0.00 H new ATOM 0 HB THR A 422 -11.653 -18.596 -3.124 1.00 0.00 H new ATOM 0 HG1 THR A 422 -10.151 -20.414 -3.212 1.00 0.00 H new ATOM 0 HG21 THR A 422 -10.452 -19.229 -5.204 1.00 0.00 H new ATOM 0 HG22 THR A 422 -10.685 -17.469 -5.081 1.00 0.00 H new ATOM 0 HG23 THR A 422 -9.094 -18.183 -4.725 1.00 0.00 H new ATOM 1296 N ARG A 423 -10.032 -17.532 0.101 1.00 0.00 N ATOM 1297 CA ARG A 423 -10.465 -17.665 1.500 1.00 0.00 C ATOM 1298 C ARG A 423 -11.296 -16.448 1.914 1.00 0.00 C ATOM 1299 O ARG A 423 -10.805 -15.322 1.955 1.00 0.00 O ATOM 1300 CB ARG A 423 -9.234 -17.874 2.405 1.00 0.00 C ATOM 1301 CG ARG A 423 -9.545 -18.078 3.900 1.00 0.00 C ATOM 1302 CD ARG A 423 -10.386 -19.324 4.220 1.00 0.00 C ATOM 1303 NE ARG A 423 -9.678 -20.577 3.878 1.00 0.00 N ATOM 1304 CZ ARG A 423 -8.967 -21.342 4.690 1.00 0.00 C ATOM 1305 NH1 ARG A 423 -8.812 -21.065 5.955 1.00 0.00 N ATOM 1306 NH2 ARG A 423 -8.387 -22.418 4.239 1.00 0.00 N ATOM 0 H ARG A 423 -9.017 -17.556 0.002 1.00 0.00 H new ATOM 0 HA ARG A 423 -11.106 -18.540 1.610 1.00 0.00 H new ATOM 0 HB2 ARG A 423 -8.681 -18.741 2.044 1.00 0.00 H new ATOM 0 HB3 ARG A 423 -8.577 -17.011 2.302 1.00 0.00 H new ATOM 0 HG2 ARG A 423 -8.604 -18.142 4.447 1.00 0.00 H new ATOM 0 HG3 ARG A 423 -10.070 -17.198 4.271 1.00 0.00 H new ATOM 0 HD2 ARG A 423 -10.638 -19.328 5.281 1.00 0.00 H new ATOM 0 HD3 ARG A 423 -11.326 -19.277 3.670 1.00 0.00 H new ATOM 0 HE ARG A 423 -9.746 -20.885 2.908 1.00 0.00 H new ATOM 0 HH11 ARG A 423 -9.247 -20.232 6.352 1.00 0.00 H new ATOM 0 HH12 ARG A 423 -8.256 -21.681 6.548 1.00 0.00 H new ATOM 0 HH21 ARG A 423 -8.480 -22.674 3.256 1.00 0.00 H new ATOM 0 HH22 ARG A 423 -7.840 -23.005 4.869 1.00 0.00 H new ATOM 1320 N HIS A 424 -12.567 -16.701 2.212 1.00 0.00 N ATOM 1321 CA HIS A 424 -13.599 -15.741 2.607 1.00 0.00 C ATOM 1322 C HIS A 424 -13.297 -14.914 3.879 1.00 0.00 C ATOM 1323 O HIS A 424 -14.063 -14.007 4.202 1.00 0.00 O ATOM 1324 CB HIS A 424 -14.943 -16.481 2.710 1.00 0.00 C ATOM 1325 CG HIS A 424 -15.511 -16.980 1.394 1.00 0.00 C ATOM 1326 ND1 HIS A 424 -14.841 -17.211 0.206 1.00 0.00 N ATOM 1327 CD2 HIS A 424 -16.830 -17.274 1.163 1.00 0.00 C ATOM 1328 CE1 HIS A 424 -15.731 -17.634 -0.708 1.00 0.00 C ATOM 1329 NE2 HIS A 424 -16.963 -17.688 -0.170 1.00 0.00 N ATOM 0 H HIS A 424 -12.932 -17.653 2.182 1.00 0.00 H new ATOM 0 HA HIS A 424 -13.632 -14.981 1.826 1.00 0.00 H new ATOM 0 HB2 HIS A 424 -14.820 -17.332 3.380 1.00 0.00 H new ATOM 0 HB3 HIS A 424 -15.671 -15.815 3.172 1.00 0.00 H new ATOM 0 HD1 HIS A 424 -13.841 -17.082 0.050 1.00 0.00 H new ATOM 0 HD2 HIS A 424 -17.630 -17.199 1.885 1.00 0.00 H new ATOM 0 HE1 HIS A 424 -15.491 -17.894 -1.729 1.00 0.00 H new ATOM 1337 N ASP A 425 -12.248 -15.249 4.638 1.00 0.00 N ATOM 1338 CA ASP A 425 -11.880 -14.636 5.920 1.00 0.00 C ATOM 1339 C ASP A 425 -10.367 -14.709 6.222 1.00 0.00 C ATOM 1340 O ASP A 425 -9.965 -15.106 7.320 1.00 0.00 O ATOM 1341 CB ASP A 425 -12.758 -15.229 7.037 1.00 0.00 C ATOM 1342 CG ASP A 425 -12.479 -16.707 7.394 1.00 0.00 C ATOM 1343 OD1 ASP A 425 -12.237 -17.541 6.488 1.00 0.00 O ATOM 1344 OD2 ASP A 425 -12.553 -17.054 8.600 1.00 0.00 O ATOM 0 H ASP A 425 -11.602 -15.989 4.363 1.00 0.00 H new ATOM 0 HA ASP A 425 -12.080 -13.566 5.860 1.00 0.00 H new ATOM 0 HB2 ASP A 425 -12.627 -14.626 7.936 1.00 0.00 H new ATOM 0 HB3 ASP A 425 -13.803 -15.137 6.741 1.00 0.00 H new ATOM 1349 N CYS A 426 -9.504 -14.311 5.271 1.00 0.00 N ATOM 1350 CA CYS A 426 -8.057 -14.297 5.500 1.00 0.00 C ATOM 1351 C CYS A 426 -7.735 -13.070 6.415 1.00 0.00 C ATOM 1352 O CYS A 426 -8.398 -12.033 6.289 1.00 0.00 O ATOM 1353 CB CYS A 426 -7.420 -14.454 4.118 1.00 0.00 C ATOM 1354 SG CYS A 426 -5.613 -14.353 4.113 1.00 0.00 S ATOM 0 H CYS A 426 -9.786 -13.997 4.342 1.00 0.00 H new ATOM 0 HA CYS A 426 -7.615 -15.111 6.075 1.00 0.00 H new ATOM 0 HB2 CYS A 426 -7.719 -15.415 3.700 1.00 0.00 H new ATOM 0 HB3 CYS A 426 -7.817 -13.682 3.458 1.00 0.00 H new ATOM 0 HG CYS A 426 -5.131 -15.238 3.292 1.00 0.00 H new ATOM 1359 N PRO A 427 -6.800 -13.183 7.388 1.00 0.00 N ATOM 1360 CA PRO A 427 -6.535 -12.198 8.456 1.00 0.00 C ATOM 1361 C PRO A 427 -6.231 -10.751 8.064 1.00 0.00 C ATOM 1362 O PRO A 427 -6.297 -9.859 8.912 1.00 0.00 O ATOM 1363 CB PRO A 427 -5.340 -12.745 9.250 1.00 0.00 C ATOM 1364 CG PRO A 427 -5.368 -14.242 8.985 1.00 0.00 C ATOM 1365 CD PRO A 427 -5.924 -14.326 7.569 1.00 0.00 C ATOM 0 HA PRO A 427 -7.475 -12.107 9.001 1.00 0.00 H new ATOM 0 HB2 PRO A 427 -4.403 -12.299 8.916 1.00 0.00 H new ATOM 0 HB3 PRO A 427 -5.436 -12.527 10.314 1.00 0.00 H new ATOM 0 HG2 PRO A 427 -4.374 -14.684 9.056 1.00 0.00 H new ATOM 0 HG3 PRO A 427 -6.002 -14.767 9.700 1.00 0.00 H new ATOM 0 HD2 PRO A 427 -5.117 -14.313 6.837 1.00 0.00 H new ATOM 0 HD3 PRO A 427 -6.471 -15.258 7.424 1.00 0.00 H new ATOM 1373 N VAL A 428 -5.851 -10.521 6.809 1.00 0.00 N ATOM 1374 CA VAL A 428 -5.417 -9.213 6.293 1.00 0.00 C ATOM 1375 C VAL A 428 -6.082 -8.892 4.939 1.00 0.00 C ATOM 1376 O VAL A 428 -6.529 -7.758 4.719 1.00 0.00 O ATOM 1377 CB VAL A 428 -3.883 -9.230 6.171 1.00 0.00 C ATOM 1378 CG1 VAL A 428 -3.378 -7.791 5.994 1.00 0.00 C ATOM 1379 CG2 VAL A 428 -3.103 -9.794 7.359 1.00 0.00 C ATOM 0 H VAL A 428 -5.834 -11.254 6.100 1.00 0.00 H new ATOM 0 HA VAL A 428 -5.725 -8.427 6.982 1.00 0.00 H new ATOM 0 HB VAL A 428 -3.703 -9.892 5.324 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -2.291 -7.795 5.907 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -3.813 -7.361 5.092 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -3.671 -7.194 6.858 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -2.035 -9.749 7.147 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -3.321 -9.205 8.250 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -3.396 -10.830 7.528 1.00 0.00 H new ATOM 1389 N CYS A 429 -6.223 -9.939 4.109 1.00 0.00 N ATOM 1390 CA CYS A 429 -6.915 -10.035 2.818 1.00 0.00 C ATOM 1391 C CYS A 429 -8.263 -9.322 2.935 1.00 0.00 C ATOM 1392 O CYS A 429 -8.431 -8.233 2.400 1.00 0.00 O ATOM 1393 CB CYS A 429 -7.092 -11.548 2.584 1.00 0.00 C ATOM 1394 SG CYS A 429 -6.210 -12.121 1.108 1.00 0.00 S ATOM 0 H CYS A 429 -5.808 -10.837 4.357 1.00 0.00 H new ATOM 0 HA CYS A 429 -6.376 -9.572 1.991 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -6.730 -12.093 3.456 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -8.153 -11.776 2.483 1.00 0.00 H new ATOM 0 HG CYS A 429 -5.380 -11.201 0.714 1.00 0.00 H new ATOM 1399 N LEU A 430 -9.202 -9.897 3.695 1.00 0.00 N ATOM 1400 CA LEU A 430 -10.538 -9.372 3.905 1.00 0.00 C ATOM 1401 C LEU A 430 -10.582 -7.937 4.446 1.00 0.00 C ATOM 1402 O LEU A 430 -11.198 -7.104 3.773 1.00 0.00 O ATOM 1403 CB LEU A 430 -11.308 -10.389 4.748 1.00 0.00 C ATOM 1404 CG LEU A 430 -12.105 -11.383 3.908 1.00 0.00 C ATOM 1405 CD1 LEU A 430 -13.352 -10.774 3.277 1.00 0.00 C ATOM 1406 CD2 LEU A 430 -11.311 -12.143 2.849 1.00 0.00 C ATOM 0 H LEU A 430 -9.038 -10.771 4.194 1.00 0.00 H new ATOM 0 HA LEU A 430 -11.032 -9.255 2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 430 -10.606 -10.936 5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 430 -11.988 -9.859 5.415 1.00 0.00 H new ATOM 0 HG LEU A 430 -12.405 -12.121 4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 430 -13.872 -11.533 2.694 1.00 0.00 H new ATOM 0 HD12 LEU A 430 -14.012 -10.403 4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 430 -13.064 -9.950 2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 430 -11.975 -12.820 2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 430 -10.871 -11.435 2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 430 -10.519 -12.717 3.330 1.00 0.00 H new ATOM 1418 N PRO A 431 -9.942 -7.597 5.587 1.00 0.00 N ATOM 1419 CA PRO A 431 -9.901 -6.225 6.084 1.00 0.00 C ATOM 1420 C PRO A 431 -9.549 -5.174 5.035 1.00 0.00 C ATOM 1421 O PRO A 431 -10.323 -4.242 4.820 1.00 0.00 O ATOM 1422 CB PRO A 431 -8.836 -6.224 7.179 1.00 0.00 C ATOM 1423 CG PRO A 431 -8.957 -7.625 7.763 1.00 0.00 C ATOM 1424 CD PRO A 431 -9.218 -8.466 6.512 1.00 0.00 C ATOM 0 HA PRO A 431 -10.897 -5.948 6.428 1.00 0.00 H new ATOM 0 HB2 PRO A 431 -7.841 -6.038 6.776 1.00 0.00 H new ATOM 0 HB3 PRO A 431 -9.026 -5.455 7.928 1.00 0.00 H new ATOM 0 HG2 PRO A 431 -8.048 -7.932 8.279 1.00 0.00 H new ATOM 0 HG3 PRO A 431 -9.773 -7.699 8.482 1.00 0.00 H new ATOM 0 HD2 PRO A 431 -8.283 -8.811 6.072 1.00 0.00 H new ATOM 0 HD3 PRO A 431 -9.803 -9.353 6.753 1.00 0.00 H new ATOM 1432 N LEU A 432 -8.399 -5.315 4.369 1.00 0.00 N ATOM 1433 CA LEU A 432 -7.963 -4.328 3.374 1.00 0.00 C ATOM 1434 C LEU A 432 -8.761 -4.412 2.071 1.00 0.00 C ATOM 1435 O LEU A 432 -8.918 -3.397 1.391 1.00 0.00 O ATOM 1436 CB LEU A 432 -6.478 -4.524 3.089 1.00 0.00 C ATOM 1437 CG LEU A 432 -5.615 -3.675 4.045 1.00 0.00 C ATOM 1438 CD1 LEU A 432 -4.247 -4.300 4.314 1.00 0.00 C ATOM 1439 CD2 LEU A 432 -5.397 -2.265 3.495 1.00 0.00 C ATOM 0 H LEU A 432 -7.757 -6.097 4.499 1.00 0.00 H new ATOM 0 HA LEU A 432 -8.143 -3.337 3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 432 -6.219 -5.577 3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 432 -6.263 -4.248 2.057 1.00 0.00 H new ATOM 0 HG LEU A 432 -6.172 -3.632 4.981 1.00 0.00 H new ATOM 0 HD11 LEU A 432 -3.682 -3.661 4.993 1.00 0.00 H new ATOM 0 HD12 LEU A 432 -4.379 -5.283 4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 432 -3.703 -4.403 3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 432 -4.785 -1.693 4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 432 -4.890 -2.324 2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 432 -6.360 -1.771 3.368 1.00 0.00 H new