USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=19 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 : no HD1:sc= -0.757 K(o=-2.5,f=-3.2) USER MOD Set 1.2: A 421 CYS SG : rot -141:sc= 0.727 USER MOD Set 1.3: A 426 CYS SG : rot 151:sc= -1.4 USER MOD Set 1.4: A 429 CYS SG : rot -144:sc= -1.03 USER MOD Set 2.1: A 401 LYS NZ :NH3+ 180:sc= 0.662 (180deg=0) USER MOD Set 2.2: A 416 SER OG : rot 115:sc= 0.595 USER MOD Set 3.1: A 393 HIS :FLIP no HE2:sc= -0.441 F(o=-1.1,f=-0.37) USER MOD Set 3.2: A 397 CYS SG : rot 170:sc= 0.151 USER MOD Set 3.3: A 403 CYS SG : rot 130:sc= -0.297 USER MOD Set 3.4: A 408 CYS SG : rot -70:sc= 0.214 USER MOD Set 4.1: A 394 MET CE :methyl 170:sc= -0.641 (180deg=-0.243) USER MOD Set 4.2: A 411 SER OG : rot -49:sc= 0.0693 USER MOD Set 5.1: A 367 GLN : amide:sc= 0.917 K(o=3.1,f=1.5) USER MOD Set 5.2: A 392 ASN : amide:sc= 2.16 K(o=3.1,f=1.5) USER MOD Set 6.1: A 362 HIS :FLIP no HD1:sc= 0.428 F(o=-2.1,f=0.74) USER MOD Set 6.2: A 366 CYS SG : rot -154:sc= -0.532 USER MOD Set 6.3: A 384 CYS SG : rot 97:sc= 0.376 USER MOD Set 6.4: A 388 LYS NZ :NH3+ 179:sc= 0.471 (180deg=0.451) USER MOD Single : A 349 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 351 LYS NZ :NH3+ 175:sc= 1.14 (180deg=1.03) USER MOD Single : A 354 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 355 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 356 GLN : amide:sc= 1.03 K(o=1,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 371 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 383 HIS : no HD1:sc= -0.0205 X(o=-0.02,f=-0.02) USER MOD Single : A 386 THR OG1 : rot 180:sc= 0 USER MOD Single : A 387 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 389 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 395 THR OG1 : rot 180:sc= 0 USER MOD Single : A 396 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 398 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 404 GLN : amide:sc= -0.0895 X(o=-0.09,f=-0.36) USER MOD Single : A 407 HIS : no HD1:sc= -0.134 K(o=-0.13,f=-0.95) USER MOD Single : A 410 SER OG : rot 89:sc= 0.0152 USER MOD Single : A 413 GLN : amide:sc= 0.0262 X(o=0.026,f=0) USER MOD Single : A 419 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 420 ASN : amide:sc= 0.865 K(o=0.87,f=0) USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 424 HIS : no HD1:sc= -0.123 X(o=-0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 84 N PRO A 347 3.064 -15.783 15.477 1.00 0.00 N ATOM 85 CA PRO A 347 2.329 -14.522 15.592 1.00 0.00 C ATOM 86 C PRO A 347 3.098 -13.254 15.217 1.00 0.00 C ATOM 87 O PRO A 347 2.487 -12.330 14.689 1.00 0.00 O ATOM 88 CB PRO A 347 1.848 -14.443 17.043 1.00 0.00 C ATOM 89 CG PRO A 347 1.746 -15.905 17.461 1.00 0.00 C ATOM 90 CD PRO A 347 2.903 -16.553 16.704 1.00 0.00 C ATOM 0 HA PRO A 347 1.521 -14.545 14.861 1.00 0.00 H new ATOM 0 HB2 PRO A 347 2.551 -13.894 17.670 1.00 0.00 H new ATOM 0 HB3 PRO A 347 0.887 -13.935 17.121 1.00 0.00 H new ATOM 0 HG2 PRO A 347 1.850 -16.026 18.539 1.00 0.00 H new ATOM 0 HG3 PRO A 347 0.786 -16.340 17.182 1.00 0.00 H new ATOM 0 HD2 PRO A 347 3.817 -16.535 17.298 1.00 0.00 H new ATOM 0 HD3 PRO A 347 2.687 -17.598 16.483 1.00 0.00 H new ATOM 98 N GLU A 348 4.416 -13.184 15.424 1.00 0.00 N ATOM 99 CA GLU A 348 5.212 -12.006 15.043 1.00 0.00 C ATOM 100 C GLU A 348 5.298 -11.886 13.518 1.00 0.00 C ATOM 101 O GLU A 348 5.236 -10.789 12.963 1.00 0.00 O ATOM 102 CB GLU A 348 6.635 -12.062 15.618 1.00 0.00 C ATOM 103 CG GLU A 348 6.716 -12.273 17.139 1.00 0.00 C ATOM 104 CD GLU A 348 5.932 -11.214 17.937 1.00 0.00 C ATOM 105 OE1 GLU A 348 6.086 -9.997 17.675 1.00 0.00 O ATOM 106 OE2 GLU A 348 5.132 -11.581 18.828 1.00 0.00 O ATOM 0 H GLU A 348 4.960 -13.932 15.855 1.00 0.00 H new ATOM 0 HA GLU A 348 4.705 -11.135 15.459 1.00 0.00 H new ATOM 0 HB2 GLU A 348 7.178 -12.869 15.125 1.00 0.00 H new ATOM 0 HB3 GLU A 348 7.148 -11.133 15.368 1.00 0.00 H new ATOM 0 HG2 GLU A 348 6.331 -13.263 17.384 1.00 0.00 H new ATOM 0 HG3 GLU A 348 7.761 -12.252 17.448 1.00 0.00 H new ATOM 113 N LYS A 349 5.359 -13.030 12.832 1.00 0.00 N ATOM 114 CA LYS A 349 5.362 -13.141 11.382 1.00 0.00 C ATOM 115 C LYS A 349 4.003 -12.728 10.844 1.00 0.00 C ATOM 116 O LYS A 349 3.976 -11.990 9.878 1.00 0.00 O ATOM 117 CB LYS A 349 5.775 -14.554 10.947 1.00 0.00 C ATOM 118 CG LYS A 349 6.261 -14.521 9.488 1.00 0.00 C ATOM 119 CD LYS A 349 6.840 -15.864 9.035 1.00 0.00 C ATOM 120 CE LYS A 349 7.323 -15.750 7.582 1.00 0.00 C ATOM 121 NZ LYS A 349 7.973 -17.003 7.115 1.00 0.00 N ATOM 0 H LYS A 349 5.409 -13.937 13.296 1.00 0.00 H new ATOM 0 HA LYS A 349 6.104 -12.465 10.957 1.00 0.00 H new ATOM 0 HB2 LYS A 349 6.566 -14.929 11.596 1.00 0.00 H new ATOM 0 HB3 LYS A 349 4.931 -15.237 11.045 1.00 0.00 H new ATOM 0 HG2 LYS A 349 5.430 -14.249 8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 349 7.019 -13.746 9.378 1.00 0.00 H new ATOM 0 HD2 LYS A 349 7.668 -16.152 9.683 1.00 0.00 H new ATOM 0 HD3 LYS A 349 6.084 -16.645 9.118 1.00 0.00 H new ATOM 0 HE2 LYS A 349 6.477 -15.517 6.935 1.00 0.00 H new ATOM 0 HE3 LYS A 349 8.027 -14.922 7.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 8.285 -16.886 6.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 8.795 -17.212 7.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 7.294 -17.788 7.172 1.00 0.00 H new ATOM 135 N ARG A 350 2.887 -13.113 11.480 1.00 0.00 N ATOM 136 CA ARG A 350 1.525 -12.678 11.093 1.00 0.00 C ATOM 137 C ARG A 350 1.440 -11.156 10.956 1.00 0.00 C ATOM 138 O ARG A 350 1.181 -10.660 9.858 1.00 0.00 O ATOM 139 CB ARG A 350 0.456 -13.233 12.059 1.00 0.00 C ATOM 140 CG ARG A 350 0.422 -14.759 12.260 1.00 0.00 C ATOM 141 CD ARG A 350 0.231 -15.589 10.985 1.00 0.00 C ATOM 142 NE ARG A 350 1.519 -16.000 10.383 1.00 0.00 N ATOM 143 CZ ARG A 350 1.812 -16.078 9.098 1.00 0.00 C ATOM 144 NH1 ARG A 350 1.016 -15.626 8.172 1.00 0.00 N ATOM 145 NH2 ARG A 350 2.922 -16.634 8.709 1.00 0.00 N ATOM 0 H ARG A 350 2.898 -13.740 12.285 1.00 0.00 H new ATOM 0 HA ARG A 350 1.313 -13.099 10.110 1.00 0.00 H new ATOM 0 HB2 ARG A 350 0.604 -12.766 13.033 1.00 0.00 H new ATOM 0 HB3 ARG A 350 -0.523 -12.917 11.699 1.00 0.00 H new ATOM 0 HG2 ARG A 350 1.353 -15.066 12.736 1.00 0.00 H new ATOM 0 HG3 ARG A 350 -0.385 -14.999 12.953 1.00 0.00 H new ATOM 0 HD2 ARG A 350 -0.358 -16.476 11.217 1.00 0.00 H new ATOM 0 HD3 ARG A 350 -0.338 -15.009 10.259 1.00 0.00 H new ATOM 0 HE ARG A 350 2.263 -16.251 11.033 1.00 0.00 H new ATOM 0 HH11 ARG A 350 0.129 -15.192 8.429 1.00 0.00 H new ATOM 0 HH12 ARG A 350 1.279 -15.705 7.190 1.00 0.00 H new ATOM 0 HH21 ARG A 350 3.572 -17.013 9.398 1.00 0.00 H new ATOM 0 HH22 ARG A 350 3.143 -16.691 7.715 1.00 0.00 H new ATOM 159 N LYS A 351 1.732 -10.422 12.037 1.00 0.00 N ATOM 160 CA LYS A 351 1.764 -8.940 12.055 1.00 0.00 C ATOM 161 C LYS A 351 2.764 -8.374 11.048 1.00 0.00 C ATOM 162 O LYS A 351 2.439 -7.429 10.330 1.00 0.00 O ATOM 163 CB LYS A 351 2.036 -8.330 13.448 1.00 0.00 C ATOM 164 CG LYS A 351 2.464 -9.326 14.522 1.00 0.00 C ATOM 165 CD LYS A 351 3.037 -8.635 15.761 1.00 0.00 C ATOM 166 CE LYS A 351 2.773 -9.502 16.998 1.00 0.00 C ATOM 167 NZ LYS A 351 3.523 -9.016 18.182 1.00 0.00 N ATOM 0 H LYS A 351 1.957 -10.839 12.940 1.00 0.00 H new ATOM 0 HA LYS A 351 0.754 -8.647 11.767 1.00 0.00 H new ATOM 0 HB2 LYS A 351 2.812 -7.571 13.349 1.00 0.00 H new ATOM 0 HB3 LYS A 351 1.134 -7.821 13.786 1.00 0.00 H new ATOM 0 HG2 LYS A 351 1.607 -9.934 14.812 1.00 0.00 H new ATOM 0 HG3 LYS A 351 3.211 -10.004 14.109 1.00 0.00 H new ATOM 0 HD2 LYS A 351 4.108 -8.474 15.638 1.00 0.00 H new ATOM 0 HD3 LYS A 351 2.580 -7.654 15.887 1.00 0.00 H new ATOM 0 HE2 LYS A 351 1.706 -9.504 17.219 1.00 0.00 H new ATOM 0 HE3 LYS A 351 3.056 -10.533 16.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 3.254 -9.575 19.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 4.544 -9.117 18.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 3.298 -8.014 18.349 1.00 0.00 H new ATOM 181 N LEU A 352 3.973 -8.938 10.991 1.00 0.00 N ATOM 182 CA LEU A 352 5.025 -8.448 10.102 1.00 0.00 C ATOM 183 C LEU A 352 4.581 -8.594 8.630 1.00 0.00 C ATOM 184 O LEU A 352 4.661 -7.633 7.867 1.00 0.00 O ATOM 185 CB LEU A 352 6.304 -9.277 10.349 1.00 0.00 C ATOM 186 CG LEU A 352 7.306 -8.791 11.427 1.00 0.00 C ATOM 187 CD1 LEU A 352 8.740 -8.845 10.903 1.00 0.00 C ATOM 188 CD2 LEU A 352 7.031 -7.423 12.057 1.00 0.00 C ATOM 0 H LEU A 352 4.247 -9.742 11.556 1.00 0.00 H new ATOM 0 HA LEU A 352 5.220 -7.395 10.304 1.00 0.00 H new ATOM 0 HB2 LEU A 352 5.997 -10.289 10.615 1.00 0.00 H new ATOM 0 HB3 LEU A 352 6.842 -9.345 9.404 1.00 0.00 H new ATOM 0 HG LEU A 352 7.160 -9.499 12.242 1.00 0.00 H new ATOM 0 HD11 LEU A 352 9.424 -8.499 11.678 1.00 0.00 H new ATOM 0 HD12 LEU A 352 8.989 -9.870 10.630 1.00 0.00 H new ATOM 0 HD13 LEU A 352 8.831 -8.204 10.026 1.00 0.00 H new ATOM 0 HD21 LEU A 352 7.803 -7.200 12.794 1.00 0.00 H new ATOM 0 HD22 LEU A 352 7.038 -6.657 11.281 1.00 0.00 H new ATOM 0 HD23 LEU A 352 6.056 -7.436 12.545 1.00 0.00 H new ATOM 200 N ILE A 353 4.096 -9.776 8.231 1.00 0.00 N ATOM 201 CA ILE A 353 3.666 -10.093 6.856 1.00 0.00 C ATOM 202 C ILE A 353 2.488 -9.221 6.411 1.00 0.00 C ATOM 203 O ILE A 353 2.527 -8.657 5.307 1.00 0.00 O ATOM 204 CB ILE A 353 3.440 -11.620 6.688 1.00 0.00 C ATOM 205 CG1 ILE A 353 4.237 -12.153 5.483 1.00 0.00 C ATOM 206 CG2 ILE A 353 1.971 -12.079 6.641 1.00 0.00 C ATOM 207 CD1 ILE A 353 4.383 -13.682 5.505 1.00 0.00 C ATOM 0 H ILE A 353 3.987 -10.563 8.871 1.00 0.00 H new ATOM 0 HA ILE A 353 4.471 -9.836 6.167 1.00 0.00 H new ATOM 0 HB ILE A 353 3.820 -12.063 7.609 1.00 0.00 H new ATOM 0 HG12 ILE A 353 3.740 -11.852 4.561 1.00 0.00 H new ATOM 0 HG13 ILE A 353 5.227 -11.697 5.475 1.00 0.00 H new ATOM 0 HG21 ILE A 353 1.932 -13.162 6.522 1.00 0.00 H new ATOM 0 HG22 ILE A 353 1.472 -11.798 7.568 1.00 0.00 H new ATOM 0 HG23 ILE A 353 1.468 -11.603 5.800 1.00 0.00 H new ATOM 0 HD11 ILE A 353 4.953 -14.006 4.634 1.00 0.00 H new ATOM 0 HD12 ILE A 353 4.905 -13.985 6.413 1.00 0.00 H new ATOM 0 HD13 ILE A 353 3.395 -14.142 5.484 1.00 0.00 H new ATOM 219 N GLN A 354 1.486 -9.039 7.289 1.00 0.00 N ATOM 220 CA GLN A 354 0.385 -8.119 6.964 1.00 0.00 C ATOM 221 C GLN A 354 0.928 -6.700 6.781 1.00 0.00 C ATOM 222 O GLN A 354 0.550 -6.042 5.818 1.00 0.00 O ATOM 223 CB GLN A 354 -0.812 -8.153 7.938 1.00 0.00 C ATOM 224 CG GLN A 354 -0.510 -7.768 9.387 1.00 0.00 C ATOM 225 CD GLN A 354 -1.750 -7.631 10.271 1.00 0.00 C ATOM 226 OE1 GLN A 354 -2.829 -8.136 9.997 1.00 0.00 O ATOM 227 NE2 GLN A 354 -1.648 -6.922 11.376 1.00 0.00 N ATOM 0 H GLN A 354 1.416 -9.499 8.197 1.00 0.00 H new ATOM 0 HA GLN A 354 -0.035 -8.478 6.025 1.00 0.00 H new ATOM 0 HB2 GLN A 354 -1.583 -7.482 7.558 1.00 0.00 H new ATOM 0 HB3 GLN A 354 -1.232 -9.159 7.930 1.00 0.00 H new ATOM 0 HG2 GLN A 354 0.150 -8.519 9.821 1.00 0.00 H new ATOM 0 HG3 GLN A 354 0.034 -6.823 9.394 1.00 0.00 H new ATOM 0 HE21 GLN A 354 -0.758 -6.491 11.625 1.00 0.00 H new ATOM 0 HE22 GLN A 354 -2.459 -6.804 11.983 1.00 0.00 H new ATOM 236 N GLN A 355 1.853 -6.241 7.635 1.00 0.00 N ATOM 237 CA GLN A 355 2.463 -4.920 7.486 1.00 0.00 C ATOM 238 C GLN A 355 3.158 -4.771 6.122 1.00 0.00 C ATOM 239 O GLN A 355 2.953 -3.746 5.477 1.00 0.00 O ATOM 240 CB GLN A 355 3.373 -4.609 8.669 1.00 0.00 C ATOM 241 CG GLN A 355 3.897 -3.163 8.674 1.00 0.00 C ATOM 242 CD GLN A 355 4.797 -2.878 9.877 1.00 0.00 C ATOM 243 OE1 GLN A 355 5.675 -3.652 10.239 1.00 0.00 O ATOM 244 NE2 GLN A 355 4.625 -1.759 10.549 1.00 0.00 N ATOM 0 H GLN A 355 2.194 -6.770 8.438 1.00 0.00 H new ATOM 0 HA GLN A 355 1.674 -4.168 7.497 1.00 0.00 H new ATOM 0 HB2 GLN A 355 2.828 -4.793 9.595 1.00 0.00 H new ATOM 0 HB3 GLN A 355 4.220 -5.294 8.656 1.00 0.00 H new ATOM 0 HG2 GLN A 355 4.452 -2.977 7.755 1.00 0.00 H new ATOM 0 HG3 GLN A 355 3.053 -2.473 8.682 1.00 0.00 H new ATOM 0 HE21 GLN A 355 3.900 -1.100 10.265 1.00 0.00 H new ATOM 0 HE22 GLN A 355 5.217 -1.551 11.353 1.00 0.00 H new ATOM 253 N GLN A 356 3.893 -5.782 5.622 1.00 0.00 N ATOM 254 CA GLN A 356 4.437 -5.721 4.258 1.00 0.00 C ATOM 255 C GLN A 356 3.369 -5.569 3.177 1.00 0.00 C ATOM 256 O GLN A 356 3.430 -4.612 2.412 1.00 0.00 O ATOM 257 CB GLN A 356 5.355 -6.893 3.896 1.00 0.00 C ATOM 258 CG GLN A 356 6.188 -7.578 4.981 1.00 0.00 C ATOM 259 CD GLN A 356 7.165 -6.617 5.660 1.00 0.00 C ATOM 260 OE1 GLN A 356 8.110 -6.121 5.060 1.00 0.00 O ATOM 261 NE2 GLN A 356 6.981 -6.312 6.926 1.00 0.00 N ATOM 0 H GLN A 356 4.119 -6.635 6.133 1.00 0.00 H new ATOM 0 HA GLN A 356 5.041 -4.814 4.279 1.00 0.00 H new ATOM 0 HB2 GLN A 356 4.734 -7.659 3.432 1.00 0.00 H new ATOM 0 HB3 GLN A 356 6.047 -6.538 3.132 1.00 0.00 H new ATOM 0 HG2 GLN A 356 5.522 -8.005 5.731 1.00 0.00 H new ATOM 0 HG3 GLN A 356 6.744 -8.406 4.540 1.00 0.00 H new ATOM 0 HE21 GLN A 356 6.198 -6.717 7.440 1.00 0.00 H new ATOM 0 HE22 GLN A 356 7.621 -5.670 7.394 1.00 0.00 H new ATOM 270 N LEU A 357 2.401 -6.490 3.110 1.00 0.00 N ATOM 271 CA LEU A 357 1.322 -6.439 2.103 1.00 0.00 C ATOM 272 C LEU A 357 0.572 -5.085 2.174 1.00 0.00 C ATOM 273 O LEU A 357 0.436 -4.382 1.176 1.00 0.00 O ATOM 274 CB LEU A 357 0.376 -7.640 2.329 1.00 0.00 C ATOM 275 CG LEU A 357 -0.319 -8.174 1.059 1.00 0.00 C ATOM 276 CD1 LEU A 357 -1.388 -9.198 1.430 1.00 0.00 C ATOM 277 CD2 LEU A 357 -0.959 -7.073 0.231 1.00 0.00 C ATOM 0 H LEU A 357 2.338 -7.287 3.744 1.00 0.00 H new ATOM 0 HA LEU A 357 1.742 -6.510 1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 357 0.946 -8.452 2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 357 -0.390 -7.349 3.048 1.00 0.00 H new ATOM 0 HG LEU A 357 0.460 -8.638 0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 357 -1.870 -9.566 0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 357 -0.926 -10.031 1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 357 -2.133 -8.729 2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 357 -1.432 -7.508 -0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 357 -1.710 -6.558 0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 357 -0.194 -6.362 -0.082 1.00 0.00 H new ATOM 289 N VAL A 358 0.133 -4.665 3.361 1.00 0.00 N ATOM 290 CA VAL A 358 -0.565 -3.385 3.582 1.00 0.00 C ATOM 291 C VAL A 358 0.292 -2.175 3.156 1.00 0.00 C ATOM 292 O VAL A 358 -0.221 -1.236 2.542 1.00 0.00 O ATOM 293 CB VAL A 358 -0.991 -3.288 5.063 1.00 0.00 C ATOM 294 CG1 VAL A 358 -1.628 -1.937 5.412 1.00 0.00 C ATOM 295 CG2 VAL A 358 -2.011 -4.380 5.453 1.00 0.00 C ATOM 0 H VAL A 358 0.252 -5.210 4.215 1.00 0.00 H new ATOM 0 HA VAL A 358 -1.454 -3.360 2.952 1.00 0.00 H new ATOM 0 HB VAL A 358 -0.062 -3.417 5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 358 -1.907 -1.928 6.466 1.00 0.00 H new ATOM 0 HG12 VAL A 358 -0.913 -1.137 5.219 1.00 0.00 H new ATOM 0 HG13 VAL A 358 -2.517 -1.785 4.800 1.00 0.00 H new ATOM 0 HG21 VAL A 358 -2.279 -4.269 6.504 1.00 0.00 H new ATOM 0 HG22 VAL A 358 -2.905 -4.279 4.838 1.00 0.00 H new ATOM 0 HG23 VAL A 358 -1.570 -5.364 5.293 1.00 0.00 H new ATOM 305 N LEU A 359 1.604 -2.197 3.419 1.00 0.00 N ATOM 306 CA LEU A 359 2.538 -1.122 3.053 1.00 0.00 C ATOM 307 C LEU A 359 2.867 -1.135 1.551 1.00 0.00 C ATOM 308 O LEU A 359 3.093 -0.083 0.964 1.00 0.00 O ATOM 309 CB LEU A 359 3.796 -1.208 3.938 1.00 0.00 C ATOM 310 CG LEU A 359 4.798 -0.053 3.765 1.00 0.00 C ATOM 311 CD1 LEU A 359 4.179 1.320 4.019 1.00 0.00 C ATOM 312 CD2 LEU A 359 5.967 -0.235 4.736 1.00 0.00 C ATOM 0 H LEU A 359 2.055 -2.975 3.900 1.00 0.00 H new ATOM 0 HA LEU A 359 2.060 -0.160 3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 359 3.485 -1.245 4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 359 4.307 -2.147 3.725 1.00 0.00 H new ATOM 0 HG LEU A 359 5.130 -0.086 2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 359 4.936 2.092 3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 359 3.361 1.485 3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 359 3.798 1.364 5.039 1.00 0.00 H new ATOM 0 HD21 LEU A 359 6.675 0.584 4.611 1.00 0.00 H new ATOM 0 HD22 LEU A 359 5.593 -0.238 5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 359 6.467 -1.181 4.530 1.00 0.00 H new ATOM 324 N LEU A 360 2.826 -2.303 0.909 1.00 0.00 N ATOM 325 CA LEU A 360 2.966 -2.491 -0.539 1.00 0.00 C ATOM 326 C LEU A 360 1.793 -1.829 -1.263 1.00 0.00 C ATOM 327 O LEU A 360 1.967 -1.080 -2.226 1.00 0.00 O ATOM 328 CB LEU A 360 2.954 -4.010 -0.821 1.00 0.00 C ATOM 329 CG LEU A 360 4.281 -4.670 -1.241 1.00 0.00 C ATOM 330 CD1 LEU A 360 5.533 -4.021 -0.655 1.00 0.00 C ATOM 331 CD2 LEU A 360 4.285 -6.135 -0.796 1.00 0.00 C ATOM 0 H LEU A 360 2.688 -3.184 1.404 1.00 0.00 H new ATOM 0 HA LEU A 360 3.894 -2.041 -0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 360 2.597 -4.515 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 360 2.222 -4.200 -1.606 1.00 0.00 H new ATOM 0 HG LEU A 360 4.326 -4.552 -2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 360 6.417 -4.553 -1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 360 5.586 -2.980 -0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 360 5.491 -4.066 0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 360 5.224 -6.603 -1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 360 4.181 -6.186 0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 360 3.453 -6.660 -1.266 1.00 0.00 H new ATOM 343 N LEU A 361 0.585 -2.086 -0.762 1.00 0.00 N ATOM 344 CA LEU A 361 -0.633 -1.483 -1.281 1.00 0.00 C ATOM 345 C LEU A 361 -0.601 0.035 -1.051 1.00 0.00 C ATOM 346 O LEU A 361 -0.922 0.786 -1.975 1.00 0.00 O ATOM 347 CB LEU A 361 -1.842 -2.176 -0.646 1.00 0.00 C ATOM 348 CG LEU A 361 -1.924 -3.682 -0.987 1.00 0.00 C ATOM 349 CD1 LEU A 361 -3.076 -4.297 -0.190 1.00 0.00 C ATOM 350 CD2 LEU A 361 -2.186 -3.945 -2.471 1.00 0.00 C ATOM 0 H LEU A 361 0.428 -2.722 0.019 1.00 0.00 H new ATOM 0 HA LEU A 361 -0.713 -1.625 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 361 -1.795 -2.056 0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 361 -2.754 -1.683 -0.982 1.00 0.00 H new ATOM 0 HG LEU A 361 -0.960 -4.124 -0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 361 -3.149 -5.360 -0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 361 -2.891 -4.166 0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 361 -4.009 -3.803 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 361 -2.233 -5.020 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 361 -3.133 -3.488 -2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 361 -1.379 -3.515 -3.065 1.00 0.00 H new ATOM 362 N HIS A 362 -0.131 0.497 0.121 1.00 0.00 N ATOM 363 CA HIS A 362 0.082 1.928 0.363 1.00 0.00 C ATOM 364 C HIS A 362 1.110 2.492 -0.630 1.00 0.00 C ATOM 365 O HIS A 362 0.882 3.556 -1.189 1.00 0.00 O ATOM 366 CB HIS A 362 0.513 2.220 1.809 1.00 0.00 C ATOM 367 CG HIS A 362 0.642 3.705 2.099 1.00 0.00 C ATOM 368 ND1 HIS A 362 1.615 4.551 1.627 1.00 0.00 N flip ATOM 369 CD2 HIS A 362 -0.198 4.471 2.875 1.00 0.00 C flip ATOM 370 CE1 HIS A 362 1.359 5.841 2.106 1.00 0.00 C flip ATOM 371 NE2 HIS A 362 0.259 5.738 2.869 1.00 0.00 N flip ATOM 0 H HIS A 362 0.107 -0.102 0.912 1.00 0.00 H new ATOM 0 HA HIS A 362 -0.875 2.426 0.209 1.00 0.00 H new ATOM 0 HB2 HIS A 362 -0.213 1.783 2.494 1.00 0.00 H new ATOM 0 HB3 HIS A 362 1.468 1.733 2.003 1.00 0.00 H new ATOM 0 HD2 HIS A 362 -1.073 4.117 3.399 1.00 0.00 H new ATOM 0 HE1 HIS A 362 1.929 6.736 1.903 1.00 0.00 H new ATOM 0 HE2 HIS A 362 -0.171 6.512 3.374 1.00 0.00 H new ATOM 379 N ALA A 363 2.223 1.801 -0.892 1.00 0.00 N ATOM 380 CA ALA A 363 3.238 2.239 -1.847 1.00 0.00 C ATOM 381 C ALA A 363 2.649 2.425 -3.260 1.00 0.00 C ATOM 382 O ALA A 363 2.932 3.437 -3.898 1.00 0.00 O ATOM 383 CB ALA A 363 4.422 1.265 -1.804 1.00 0.00 C ATOM 0 H ALA A 363 2.444 0.913 -0.441 1.00 0.00 H new ATOM 0 HA ALA A 363 3.607 3.225 -1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 363 5.183 1.586 -2.515 1.00 0.00 H new ATOM 0 HB2 ALA A 363 4.846 1.251 -0.800 1.00 0.00 H new ATOM 0 HB3 ALA A 363 4.080 0.264 -2.067 1.00 0.00 H new ATOM 389 N HIS A 364 1.789 1.512 -3.735 1.00 0.00 N ATOM 390 CA HIS A 364 1.092 1.642 -5.021 1.00 0.00 C ATOM 391 C HIS A 364 0.190 2.894 -5.040 1.00 0.00 C ATOM 392 O HIS A 364 0.330 3.786 -5.885 1.00 0.00 O ATOM 393 CB HIS A 364 0.275 0.365 -5.278 1.00 0.00 C ATOM 394 CG HIS A 364 -0.237 0.269 -6.692 1.00 0.00 C ATOM 395 ND1 HIS A 364 -1.496 0.614 -7.135 1.00 0.00 N ATOM 396 CD2 HIS A 364 0.467 -0.169 -7.782 1.00 0.00 C ATOM 397 CE1 HIS A 364 -1.550 0.390 -8.460 1.00 0.00 C ATOM 398 NE2 HIS A 364 -0.373 -0.089 -8.903 1.00 0.00 N ATOM 0 H HIS A 364 1.556 0.656 -3.232 1.00 0.00 H new ATOM 0 HA HIS A 364 1.826 1.765 -5.818 1.00 0.00 H new ATOM 0 HB2 HIS A 364 0.894 -0.506 -5.062 1.00 0.00 H new ATOM 0 HB3 HIS A 364 -0.569 0.335 -4.589 1.00 0.00 H new ATOM 0 HD2 HIS A 364 1.490 -0.515 -7.779 1.00 0.00 H new ATOM 0 HE1 HIS A 364 -2.415 0.569 -9.081 1.00 0.00 H new ATOM 0 HE2 HIS A 364 -0.138 -0.343 -9.863 1.00 0.00 H new ATOM 406 N LYS A 365 -0.686 2.984 -4.030 1.00 0.00 N ATOM 407 CA LYS A 365 -1.582 4.116 -3.723 1.00 0.00 C ATOM 408 C LYS A 365 -0.877 5.468 -3.760 1.00 0.00 C ATOM 409 O LYS A 365 -1.290 6.394 -4.455 1.00 0.00 O ATOM 410 CB LYS A 365 -2.191 3.828 -2.331 1.00 0.00 C ATOM 411 CG LYS A 365 -2.556 5.040 -1.457 1.00 0.00 C ATOM 412 CD LYS A 365 -3.204 4.546 -0.152 1.00 0.00 C ATOM 413 CE LYS A 365 -3.899 5.703 0.576 1.00 0.00 C ATOM 414 NZ LYS A 365 -4.670 5.227 1.755 1.00 0.00 N ATOM 0 H LYS A 365 -0.798 2.222 -3.361 1.00 0.00 H new ATOM 0 HA LYS A 365 -2.355 4.192 -4.487 1.00 0.00 H new ATOM 0 HB2 LYS A 365 -3.092 3.231 -2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 365 -1.485 3.211 -1.775 1.00 0.00 H new ATOM 0 HG2 LYS A 365 -1.664 5.625 -1.235 1.00 0.00 H new ATOM 0 HG3 LYS A 365 -3.242 5.696 -1.992 1.00 0.00 H new ATOM 0 HD2 LYS A 365 -3.927 3.761 -0.373 1.00 0.00 H new ATOM 0 HD3 LYS A 365 -2.444 4.106 0.494 1.00 0.00 H new ATOM 0 HE2 LYS A 365 -3.154 6.430 0.898 1.00 0.00 H new ATOM 0 HE3 LYS A 365 -4.569 6.217 -0.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 -5.126 6.037 2.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 -5.398 4.552 1.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 -4.027 4.759 2.425 1.00 0.00 H new ATOM 428 N CYS A 366 0.185 5.568 -2.974 1.00 0.00 N ATOM 429 CA CYS A 366 0.968 6.760 -2.754 1.00 0.00 C ATOM 430 C CYS A 366 1.891 7.051 -3.948 1.00 0.00 C ATOM 431 O CYS A 366 2.224 8.205 -4.187 1.00 0.00 O ATOM 432 CB CYS A 366 1.610 6.553 -1.378 1.00 0.00 C ATOM 433 SG CYS A 366 2.481 7.991 -0.698 1.00 0.00 S ATOM 0 H CYS A 366 0.538 4.770 -2.446 1.00 0.00 H new ATOM 0 HA CYS A 366 0.395 7.687 -2.716 1.00 0.00 H new ATOM 0 HB2 CYS A 366 0.832 6.255 -0.675 1.00 0.00 H new ATOM 0 HB3 CYS A 366 2.313 5.723 -1.446 1.00 0.00 H new ATOM 0 HG CYS A 366 3.403 7.590 0.126 1.00 0.00 H new ATOM 438 N GLN A 367 2.272 6.066 -4.770 1.00 0.00 N ATOM 439 CA GLN A 367 2.981 6.330 -6.032 1.00 0.00 C ATOM 440 C GLN A 367 2.014 7.011 -7.013 1.00 0.00 C ATOM 441 O GLN A 367 2.375 8.019 -7.631 1.00 0.00 O ATOM 442 CB GLN A 367 3.609 5.037 -6.574 1.00 0.00 C ATOM 443 CG GLN A 367 4.329 5.258 -7.911 1.00 0.00 C ATOM 444 CD GLN A 367 5.368 4.176 -8.177 1.00 0.00 C ATOM 445 OE1 GLN A 367 6.556 4.366 -7.963 1.00 0.00 O ATOM 446 NE2 GLN A 367 4.973 3.005 -8.631 1.00 0.00 N ATOM 0 H GLN A 367 2.102 5.077 -4.585 1.00 0.00 H new ATOM 0 HA GLN A 367 3.814 7.015 -5.874 1.00 0.00 H new ATOM 0 HB2 GLN A 367 4.316 4.644 -5.843 1.00 0.00 H new ATOM 0 HB3 GLN A 367 2.832 4.284 -6.702 1.00 0.00 H new ATOM 0 HG2 GLN A 367 3.599 5.268 -8.720 1.00 0.00 H new ATOM 0 HG3 GLN A 367 4.813 6.234 -7.906 1.00 0.00 H new ATOM 0 HE21 GLN A 367 3.984 2.836 -8.813 1.00 0.00 H new ATOM 0 HE22 GLN A 367 5.656 2.267 -8.801 1.00 0.00 H new ATOM 455 N ARG A 368 0.759 6.533 -7.105 1.00 0.00 N ATOM 456 CA ARG A 368 -0.278 7.209 -7.891 1.00 0.00 C ATOM 457 C ARG A 368 -0.545 8.606 -7.361 1.00 0.00 C ATOM 458 O ARG A 368 -0.555 9.540 -8.155 1.00 0.00 O ATOM 459 CB ARG A 368 -1.549 6.347 -7.971 1.00 0.00 C ATOM 460 CG ARG A 368 -2.641 6.986 -8.846 1.00 0.00 C ATOM 461 CD ARG A 368 -3.657 7.834 -8.065 1.00 0.00 C ATOM 462 NE ARG A 368 -4.678 8.411 -8.962 1.00 0.00 N ATOM 463 CZ ARG A 368 -5.633 9.263 -8.626 1.00 0.00 C ATOM 464 NH1 ARG A 368 -5.791 9.679 -7.401 1.00 0.00 N ATOM 465 NH2 ARG A 368 -6.457 9.719 -9.525 1.00 0.00 N ATOM 0 H ARG A 368 0.443 5.680 -6.643 1.00 0.00 H new ATOM 0 HA ARG A 368 0.084 7.333 -8.912 1.00 0.00 H new ATOM 0 HB2 ARG A 368 -1.294 5.366 -8.373 1.00 0.00 H new ATOM 0 HB3 ARG A 368 -1.940 6.188 -6.966 1.00 0.00 H new ATOM 0 HG2 ARG A 368 -2.166 7.612 -9.601 1.00 0.00 H new ATOM 0 HG3 ARG A 368 -3.174 6.197 -9.376 1.00 0.00 H new ATOM 0 HD2 ARG A 368 -4.142 7.218 -7.308 1.00 0.00 H new ATOM 0 HD3 ARG A 368 -3.137 8.635 -7.539 1.00 0.00 H new ATOM 0 HE ARG A 368 -4.644 8.124 -9.940 1.00 0.00 H new ATOM 0 HH11 ARG A 368 -5.167 9.347 -6.665 1.00 0.00 H new ATOM 0 HH12 ARG A 368 -6.538 10.336 -7.178 1.00 0.00 H new ATOM 0 HH21 ARG A 368 -6.369 9.420 -10.496 1.00 0.00 H new ATOM 0 HH22 ARG A 368 -7.191 10.376 -9.258 1.00 0.00 H new ATOM 479 N ARG A 369 -0.731 8.776 -6.048 1.00 0.00 N ATOM 480 CA ARG A 369 -0.997 10.103 -5.466 1.00 0.00 C ATOM 481 C ARG A 369 0.146 11.076 -5.729 1.00 0.00 C ATOM 482 O ARG A 369 -0.092 12.241 -6.032 1.00 0.00 O ATOM 483 CB ARG A 369 -1.359 10.025 -3.960 1.00 0.00 C ATOM 484 CG ARG A 369 -0.210 10.415 -3.001 1.00 0.00 C ATOM 485 CD ARG A 369 -0.463 10.078 -1.540 1.00 0.00 C ATOM 486 NE ARG A 369 -1.420 11.009 -0.909 1.00 0.00 N ATOM 487 CZ ARG A 369 -1.247 11.651 0.234 1.00 0.00 C ATOM 488 NH1 ARG A 369 -0.236 11.410 1.016 1.00 0.00 N ATOM 489 NH2 ARG A 369 -2.090 12.565 0.617 1.00 0.00 N ATOM 0 H ARG A 369 -0.703 8.017 -5.367 1.00 0.00 H new ATOM 0 HA ARG A 369 -1.877 10.497 -5.975 1.00 0.00 H new ATOM 0 HB2 ARG A 369 -2.211 10.678 -3.770 1.00 0.00 H new ATOM 0 HB3 ARG A 369 -1.679 9.009 -3.729 1.00 0.00 H new ATOM 0 HG2 ARG A 369 0.702 9.912 -3.324 1.00 0.00 H new ATOM 0 HG3 ARG A 369 -0.030 11.487 -3.087 1.00 0.00 H new ATOM 0 HD2 ARG A 369 -0.846 9.060 -1.465 1.00 0.00 H new ATOM 0 HD3 ARG A 369 0.480 10.105 -0.994 1.00 0.00 H new ATOM 0 HE ARG A 369 -2.298 11.172 -1.402 1.00 0.00 H new ATOM 0 HH11 ARG A 369 0.455 10.707 0.754 1.00 0.00 H new ATOM 0 HH12 ARG A 369 -0.134 11.924 1.891 1.00 0.00 H new ATOM 0 HH21 ARG A 369 -2.895 12.793 0.033 1.00 0.00 H new ATOM 0 HH22 ARG A 369 -1.946 13.053 1.501 1.00 0.00 H new ATOM 503 N GLU A 370 1.380 10.594 -5.600 1.00 0.00 N ATOM 504 CA GLU A 370 2.585 11.401 -5.753 1.00 0.00 C ATOM 505 C GLU A 370 2.670 11.947 -7.182 1.00 0.00 C ATOM 506 O GLU A 370 2.766 13.153 -7.405 1.00 0.00 O ATOM 507 CB GLU A 370 3.816 10.547 -5.428 1.00 0.00 C ATOM 508 CG GLU A 370 5.137 11.320 -5.458 1.00 0.00 C ATOM 509 CD GLU A 370 6.320 10.409 -5.078 1.00 0.00 C ATOM 510 OE1 GLU A 370 6.279 9.790 -3.984 1.00 0.00 O ATOM 511 OE2 GLU A 370 7.290 10.301 -5.865 1.00 0.00 O ATOM 0 H GLU A 370 1.572 9.616 -5.383 1.00 0.00 H new ATOM 0 HA GLU A 370 2.549 12.245 -5.064 1.00 0.00 H new ATOM 0 HB2 GLU A 370 3.688 10.105 -4.440 1.00 0.00 H new ATOM 0 HB3 GLU A 370 3.873 9.724 -6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 370 5.298 11.734 -6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 370 5.085 12.162 -4.767 1.00 0.00 H new ATOM 518 N GLN A 371 2.576 11.033 -8.152 1.00 0.00 N ATOM 519 CA GLN A 371 2.563 11.377 -9.579 1.00 0.00 C ATOM 520 C GLN A 371 1.339 12.231 -9.973 1.00 0.00 C ATOM 521 O GLN A 371 1.436 13.058 -10.884 1.00 0.00 O ATOM 522 CB GLN A 371 2.598 10.096 -10.422 1.00 0.00 C ATOM 523 CG GLN A 371 3.942 9.356 -10.323 1.00 0.00 C ATOM 524 CD GLN A 371 3.923 8.081 -11.158 1.00 0.00 C ATOM 525 OE1 GLN A 371 4.529 7.978 -12.217 1.00 0.00 O ATOM 526 NE2 GLN A 371 3.208 7.066 -10.721 1.00 0.00 N ATOM 0 H GLN A 371 2.507 10.032 -7.971 1.00 0.00 H new ATOM 0 HA GLN A 371 3.451 11.979 -9.774 1.00 0.00 H new ATOM 0 HB2 GLN A 371 1.797 9.431 -10.098 1.00 0.00 H new ATOM 0 HB3 GLN A 371 2.402 10.347 -11.465 1.00 0.00 H new ATOM 0 HG2 GLN A 371 4.746 10.007 -10.665 1.00 0.00 H new ATOM 0 HG3 GLN A 371 4.151 9.111 -9.282 1.00 0.00 H new ATOM 0 HE21 GLN A 371 2.700 7.142 -9.840 1.00 0.00 H new ATOM 0 HE22 GLN A 371 3.162 6.203 -11.263 1.00 0.00 H new ATOM 535 N ALA A 372 0.194 12.042 -9.305 1.00 0.00 N ATOM 536 CA ALA A 372 -1.047 12.774 -9.575 1.00 0.00 C ATOM 537 C ALA A 372 -0.983 14.245 -9.106 1.00 0.00 C ATOM 538 O ALA A 372 -1.242 15.148 -9.906 1.00 0.00 O ATOM 539 CB ALA A 372 -2.229 12.020 -8.939 1.00 0.00 C ATOM 0 H ALA A 372 0.104 11.364 -8.549 1.00 0.00 H new ATOM 0 HA ALA A 372 -1.191 12.819 -10.655 1.00 0.00 H new ATOM 0 HB1 ALA A 372 -3.154 12.561 -9.137 1.00 0.00 H new ATOM 0 HB2 ALA A 372 -2.295 11.019 -9.366 1.00 0.00 H new ATOM 0 HB3 ALA A 372 -2.076 11.945 -7.862 1.00 0.00 H new ATOM 652 N LEU A 381 3.955 8.143 6.828 1.00 0.00 N ATOM 653 CA LEU A 381 4.674 6.915 7.191 1.00 0.00 C ATOM 654 C LEU A 381 6.061 6.840 6.512 1.00 0.00 C ATOM 655 O LEU A 381 6.135 6.464 5.345 1.00 0.00 O ATOM 656 CB LEU A 381 3.758 5.730 6.816 1.00 0.00 C ATOM 657 CG LEU A 381 4.326 4.322 7.069 1.00 0.00 C ATOM 658 CD1 LEU A 381 4.892 4.142 8.480 1.00 0.00 C ATOM 659 CD2 LEU A 381 3.199 3.308 6.878 1.00 0.00 C ATOM 0 HA LEU A 381 4.888 6.892 8.260 1.00 0.00 H new ATOM 0 HB2 LEU A 381 2.826 5.828 7.373 1.00 0.00 H new ATOM 0 HB3 LEU A 381 3.507 5.813 5.758 1.00 0.00 H new ATOM 0 HG LEU A 381 5.145 4.173 6.366 1.00 0.00 H new ATOM 0 HD11 LEU A 381 5.276 3.128 8.591 1.00 0.00 H new ATOM 0 HD12 LEU A 381 5.700 4.856 8.642 1.00 0.00 H new ATOM 0 HD13 LEU A 381 4.104 4.314 9.213 1.00 0.00 H new ATOM 0 HD21 LEU A 381 3.581 2.302 7.053 1.00 0.00 H new ATOM 0 HD22 LEU A 381 2.396 3.519 7.584 1.00 0.00 H new ATOM 0 HD23 LEU A 381 2.815 3.378 5.860 1.00 0.00 H new ATOM 671 N PRO A 382 7.171 7.186 7.198 1.00 0.00 N ATOM 672 CA PRO A 382 8.535 7.168 6.643 1.00 0.00 C ATOM 673 C PRO A 382 8.950 5.905 5.859 1.00 0.00 C ATOM 674 O PRO A 382 9.682 6.010 4.872 1.00 0.00 O ATOM 675 CB PRO A 382 9.457 7.408 7.842 1.00 0.00 C ATOM 676 CG PRO A 382 8.597 8.265 8.768 1.00 0.00 C ATOM 677 CD PRO A 382 7.202 7.678 8.570 1.00 0.00 C ATOM 0 HA PRO A 382 8.600 7.936 5.872 1.00 0.00 H new ATOM 0 HB2 PRO A 382 9.754 6.473 8.317 1.00 0.00 H new ATOM 0 HB3 PRO A 382 10.373 7.922 7.551 1.00 0.00 H new ATOM 0 HG2 PRO A 382 8.923 8.192 9.806 1.00 0.00 H new ATOM 0 HG3 PRO A 382 8.635 9.320 8.495 1.00 0.00 H new ATOM 0 HD2 PRO A 382 7.012 6.872 9.279 1.00 0.00 H new ATOM 0 HD3 PRO A 382 6.433 8.433 8.732 1.00 0.00 H new ATOM 685 N HIS A 383 8.481 4.716 6.260 1.00 0.00 N ATOM 686 CA HIS A 383 8.779 3.435 5.592 1.00 0.00 C ATOM 687 C HIS A 383 8.210 3.325 4.159 1.00 0.00 C ATOM 688 O HIS A 383 8.657 2.487 3.366 1.00 0.00 O ATOM 689 CB HIS A 383 8.246 2.280 6.457 1.00 0.00 C ATOM 690 CG HIS A 383 8.713 2.288 7.895 1.00 0.00 C ATOM 691 ND1 HIS A 383 7.969 1.902 8.989 1.00 0.00 N ATOM 692 CD2 HIS A 383 9.946 2.662 8.364 1.00 0.00 C ATOM 693 CE1 HIS A 383 8.727 2.046 10.089 1.00 0.00 C ATOM 694 NE2 HIS A 383 9.947 2.511 9.758 1.00 0.00 N ATOM 0 H HIS A 383 7.873 4.612 7.072 1.00 0.00 H new ATOM 0 HA HIS A 383 9.863 3.380 5.488 1.00 0.00 H new ATOM 0 HB2 HIS A 383 7.156 2.310 6.445 1.00 0.00 H new ATOM 0 HB3 HIS A 383 8.544 1.337 6.000 1.00 0.00 H new ATOM 0 HD2 HIS A 383 10.773 3.012 7.764 1.00 0.00 H new ATOM 0 HE1 HIS A 383 8.404 1.821 11.095 1.00 0.00 H new ATOM 0 HE2 HIS A 383 10.718 2.713 10.395 1.00 0.00 H new ATOM 702 N CYS A 384 7.237 4.176 3.814 1.00 0.00 N ATOM 703 CA CYS A 384 6.579 4.238 2.516 1.00 0.00 C ATOM 704 C CYS A 384 7.570 4.365 1.348 1.00 0.00 C ATOM 705 O CYS A 384 7.476 3.606 0.387 1.00 0.00 O ATOM 706 CB CYS A 384 5.598 5.415 2.586 1.00 0.00 C ATOM 707 SG CYS A 384 4.718 5.649 1.029 1.00 0.00 S ATOM 0 H CYS A 384 6.874 4.870 4.467 1.00 0.00 H new ATOM 0 HA CYS A 384 6.052 3.306 2.312 1.00 0.00 H new ATOM 0 HB2 CYS A 384 4.879 5.242 3.387 1.00 0.00 H new ATOM 0 HB3 CYS A 384 6.141 6.326 2.837 1.00 0.00 H new ATOM 0 HG CYS A 384 3.554 5.075 1.098 1.00 0.00 H new ATOM 712 N ARG A 385 8.553 5.278 1.424 1.00 0.00 N ATOM 713 CA ARG A 385 9.550 5.482 0.346 1.00 0.00 C ATOM 714 C ARG A 385 10.456 4.264 0.137 1.00 0.00 C ATOM 715 O ARG A 385 10.796 3.935 -1.001 1.00 0.00 O ATOM 716 CB ARG A 385 10.326 6.801 0.548 1.00 0.00 C ATOM 717 CG ARG A 385 9.654 7.980 -0.188 1.00 0.00 C ATOM 718 CD ARG A 385 8.245 8.303 0.332 1.00 0.00 C ATOM 719 NE ARG A 385 7.465 9.140 -0.602 1.00 0.00 N ATOM 720 CZ ARG A 385 6.175 9.393 -0.482 1.00 0.00 C ATOM 721 NH1 ARG A 385 5.485 8.936 0.514 1.00 0.00 N ATOM 722 NH2 ARG A 385 5.529 10.069 -1.379 1.00 0.00 N ATOM 0 H ARG A 385 8.683 5.894 2.226 1.00 0.00 H new ATOM 0 HA ARG A 385 9.003 5.583 -0.591 1.00 0.00 H new ATOM 0 HB2 ARG A 385 10.390 7.026 1.613 1.00 0.00 H new ATOM 0 HB3 ARG A 385 11.347 6.681 0.186 1.00 0.00 H new ATOM 0 HG2 ARG A 385 10.282 8.866 -0.088 1.00 0.00 H new ATOM 0 HG3 ARG A 385 9.596 7.749 -1.252 1.00 0.00 H new ATOM 0 HD2 ARG A 385 7.708 7.372 0.513 1.00 0.00 H new ATOM 0 HD3 ARG A 385 8.326 8.816 1.290 1.00 0.00 H new ATOM 0 HE ARG A 385 7.957 9.551 -1.395 1.00 0.00 H new ATOM 0 HH11 ARG A 385 5.937 8.366 1.229 1.00 0.00 H new ATOM 0 HH12 ARG A 385 4.489 9.146 0.584 1.00 0.00 H new ATOM 0 HH21 ARG A 385 6.017 10.420 -2.203 1.00 0.00 H new ATOM 0 HH22 ARG A 385 4.532 10.250 -1.261 1.00 0.00 H new ATOM 736 N THR A 386 10.766 3.535 1.207 1.00 0.00 N ATOM 737 CA THR A 386 11.518 2.274 1.142 1.00 0.00 C ATOM 738 C THR A 386 10.678 1.228 0.417 1.00 0.00 C ATOM 739 O THR A 386 11.154 0.617 -0.538 1.00 0.00 O ATOM 740 CB THR A 386 11.907 1.768 2.542 1.00 0.00 C ATOM 741 OG1 THR A 386 12.631 2.775 3.220 1.00 0.00 O ATOM 742 CG2 THR A 386 12.790 0.521 2.482 1.00 0.00 C ATOM 0 H THR A 386 10.502 3.802 2.155 1.00 0.00 H new ATOM 0 HA THR A 386 12.444 2.453 0.595 1.00 0.00 H new ATOM 0 HB THR A 386 10.982 1.518 3.061 1.00 0.00 H new ATOM 0 HG1 THR A 386 12.878 2.455 4.113 1.00 0.00 H new ATOM 0 HG21 THR A 386 13.038 0.202 3.494 1.00 0.00 H new ATOM 0 HG22 THR A 386 12.255 -0.279 1.970 1.00 0.00 H new ATOM 0 HG23 THR A 386 13.707 0.750 1.939 1.00 0.00 H new ATOM 750 N MET A 387 9.407 1.048 0.799 1.00 0.00 N ATOM 751 CA MET A 387 8.540 0.096 0.094 1.00 0.00 C ATOM 752 C MET A 387 8.201 0.517 -1.340 1.00 0.00 C ATOM 753 O MET A 387 8.127 -0.338 -2.215 1.00 0.00 O ATOM 754 CB MET A 387 7.291 -0.235 0.908 1.00 0.00 C ATOM 755 CG MET A 387 7.583 -1.428 1.837 1.00 0.00 C ATOM 756 SD MET A 387 8.143 -2.943 1.002 1.00 0.00 S ATOM 757 CE MET A 387 8.903 -3.853 2.366 1.00 0.00 C ATOM 0 H MET A 387 8.963 1.538 1.576 1.00 0.00 H new ATOM 0 HA MET A 387 9.122 -0.820 -0.007 1.00 0.00 H new ATOM 0 HB2 MET A 387 6.987 0.631 1.496 1.00 0.00 H new ATOM 0 HB3 MET A 387 6.463 -0.474 0.241 1.00 0.00 H new ATOM 0 HG2 MET A 387 8.343 -1.128 2.558 1.00 0.00 H new ATOM 0 HG3 MET A 387 6.680 -1.657 2.402 1.00 0.00 H new ATOM 0 HE1 MET A 387 9.290 -4.803 1.998 1.00 0.00 H new ATOM 0 HE2 MET A 387 9.721 -3.266 2.784 1.00 0.00 H new ATOM 0 HE3 MET A 387 8.158 -4.039 3.139 1.00 0.00 H new ATOM 767 N LYS A 388 8.082 1.814 -1.634 1.00 0.00 N ATOM 768 CA LYS A 388 7.958 2.343 -3.005 1.00 0.00 C ATOM 769 C LYS A 388 9.192 1.941 -3.820 1.00 0.00 C ATOM 770 O LYS A 388 9.047 1.525 -4.970 1.00 0.00 O ATOM 771 CB LYS A 388 7.821 3.871 -2.943 1.00 0.00 C ATOM 772 CG LYS A 388 6.392 4.386 -2.684 1.00 0.00 C ATOM 773 CD LYS A 388 6.444 5.816 -2.123 1.00 0.00 C ATOM 774 CE LYS A 388 5.105 6.572 -2.153 1.00 0.00 C ATOM 775 NZ LYS A 388 4.969 7.389 -3.386 1.00 0.00 N ATOM 0 H LYS A 388 8.068 2.542 -0.919 1.00 0.00 H new ATOM 0 HA LYS A 388 7.074 1.929 -3.489 1.00 0.00 H new ATOM 0 HB2 LYS A 388 8.475 4.248 -2.157 1.00 0.00 H new ATOM 0 HB3 LYS A 388 8.178 4.291 -3.883 1.00 0.00 H new ATOM 0 HG2 LYS A 388 5.817 4.370 -3.610 1.00 0.00 H new ATOM 0 HG3 LYS A 388 5.881 3.729 -1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 388 6.798 5.774 -1.093 1.00 0.00 H new ATOM 0 HD3 LYS A 388 7.180 6.387 -2.690 1.00 0.00 H new ATOM 0 HE2 LYS A 388 4.282 5.859 -2.095 1.00 0.00 H new ATOM 0 HE3 LYS A 388 5.030 7.217 -1.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 4.048 7.872 -3.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 5.731 8.096 -3.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 5.033 6.771 -4.220 1.00 0.00 H new ATOM 789 N ASN A 389 10.395 1.992 -3.232 1.00 0.00 N ATOM 790 CA ASN A 389 11.617 1.536 -3.912 1.00 0.00 C ATOM 791 C ASN A 389 11.583 0.011 -4.160 1.00 0.00 C ATOM 792 O ASN A 389 11.891 -0.444 -5.260 1.00 0.00 O ATOM 793 CB ASN A 389 12.858 1.975 -3.116 1.00 0.00 C ATOM 794 CG ASN A 389 14.147 1.579 -3.821 1.00 0.00 C ATOM 795 OD1 ASN A 389 14.445 2.028 -4.918 1.00 0.00 O ATOM 796 ND2 ASN A 389 14.947 0.723 -3.224 1.00 0.00 N ATOM 0 H ASN A 389 10.549 2.344 -2.287 1.00 0.00 H new ATOM 0 HA ASN A 389 11.672 2.005 -4.894 1.00 0.00 H new ATOM 0 HB2 ASN A 389 12.837 3.056 -2.976 1.00 0.00 H new ATOM 0 HB3 ASN A 389 12.832 1.524 -2.124 1.00 0.00 H new ATOM 0 HD21 ASN A 389 15.815 0.435 -3.676 1.00 0.00 H new ATOM 0 HD22 ASN A 389 14.700 0.347 -2.308 1.00 0.00 H new ATOM 803 N VAL A 390 11.140 -0.775 -3.171 1.00 0.00 N ATOM 804 CA VAL A 390 10.944 -2.239 -3.271 1.00 0.00 C ATOM 805 C VAL A 390 9.907 -2.584 -4.350 1.00 0.00 C ATOM 806 O VAL A 390 10.092 -3.545 -5.094 1.00 0.00 O ATOM 807 CB VAL A 390 10.508 -2.789 -1.896 1.00 0.00 C ATOM 808 CG1 VAL A 390 10.009 -4.238 -1.908 1.00 0.00 C ATOM 809 CG2 VAL A 390 11.649 -2.724 -0.876 1.00 0.00 C ATOM 0 H VAL A 390 10.899 -0.406 -2.251 1.00 0.00 H new ATOM 0 HA VAL A 390 11.885 -2.704 -3.563 1.00 0.00 H new ATOM 0 HB VAL A 390 9.676 -2.141 -1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 390 9.726 -4.534 -0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 390 9.144 -4.319 -2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 390 10.802 -4.893 -2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 390 11.305 -3.119 0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 390 12.490 -3.318 -1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 390 11.964 -1.688 -0.748 1.00 0.00 H new ATOM 819 N LEU A 391 8.833 -1.797 -4.477 1.00 0.00 N ATOM 820 CA LEU A 391 7.790 -1.983 -5.489 1.00 0.00 C ATOM 821 C LEU A 391 8.355 -1.694 -6.893 1.00 0.00 C ATOM 822 O LEU A 391 8.210 -2.515 -7.796 1.00 0.00 O ATOM 823 CB LEU A 391 6.564 -1.116 -5.129 1.00 0.00 C ATOM 824 CG LEU A 391 5.212 -1.643 -5.652 1.00 0.00 C ATOM 825 CD1 LEU A 391 4.083 -0.758 -5.124 1.00 0.00 C ATOM 826 CD2 LEU A 391 5.092 -1.672 -7.175 1.00 0.00 C ATOM 0 H LEU A 391 8.662 -0.998 -3.867 1.00 0.00 H new ATOM 0 HA LEU A 391 7.453 -3.020 -5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 391 6.507 -1.028 -4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 391 6.721 -0.112 -5.522 1.00 0.00 H new ATOM 0 HG LEU A 391 5.144 -2.671 -5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 391 3.127 -1.129 -5.493 1.00 0.00 H new ATOM 0 HD12 LEU A 391 4.084 -0.778 -4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 391 4.232 0.266 -5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 391 4.111 -2.056 -7.455 1.00 0.00 H new ATOM 0 HD22 LEU A 391 5.213 -0.663 -7.569 1.00 0.00 H new ATOM 0 HD23 LEU A 391 5.866 -2.318 -7.589 1.00 0.00 H new ATOM 838 N ASN A 392 9.082 -0.585 -7.072 1.00 0.00 N ATOM 839 CA ASN A 392 9.763 -0.283 -8.342 1.00 0.00 C ATOM 840 C ASN A 392 10.765 -1.396 -8.690 1.00 0.00 C ATOM 841 O ASN A 392 10.830 -1.826 -9.844 1.00 0.00 O ATOM 842 CB ASN A 392 10.450 1.092 -8.279 1.00 0.00 C ATOM 843 CG ASN A 392 9.471 2.222 -8.545 1.00 0.00 C ATOM 844 OD1 ASN A 392 9.298 2.672 -9.668 1.00 0.00 O ATOM 845 ND2 ASN A 392 8.790 2.703 -7.535 1.00 0.00 N ATOM 0 H ASN A 392 9.216 0.123 -6.350 1.00 0.00 H new ATOM 0 HA ASN A 392 9.017 -0.242 -9.136 1.00 0.00 H new ATOM 0 HB2 ASN A 392 10.904 1.227 -7.297 1.00 0.00 H new ATOM 0 HB3 ASN A 392 11.257 1.130 -9.011 1.00 0.00 H new ATOM 0 HD21 ASN A 392 8.115 3.453 -7.686 1.00 0.00 H new ATOM 0 HD22 ASN A 392 8.934 2.328 -6.598 1.00 0.00 H new ATOM 852 N HIS A 393 11.483 -1.931 -7.694 1.00 0.00 N ATOM 853 CA HIS A 393 12.370 -3.066 -7.918 1.00 0.00 C ATOM 854 C HIS A 393 11.548 -4.262 -8.403 1.00 0.00 C ATOM 855 O HIS A 393 11.880 -4.807 -9.447 1.00 0.00 O ATOM 856 CB HIS A 393 13.197 -3.417 -6.677 1.00 0.00 C ATOM 857 CG HIS A 393 14.019 -4.664 -6.911 1.00 0.00 C ATOM 858 ND1 HIS A 393 13.546 -5.944 -6.804 1.00 0.00 N flip ATOM 859 CD2 HIS A 393 15.258 -4.747 -7.508 1.00 0.00 C flip ATOM 860 CE1 HIS A 393 14.485 -6.813 -7.375 1.00 0.00 C flip ATOM 861 NE2 HIS A 393 15.513 -6.043 -7.770 1.00 0.00 N flip ATOM 0 H HIS A 393 11.463 -1.594 -6.732 1.00 0.00 H new ATOM 0 HA HIS A 393 13.091 -2.790 -8.687 1.00 0.00 H new ATOM 0 HB2 HIS A 393 13.855 -2.585 -6.426 1.00 0.00 H new ATOM 0 HB3 HIS A 393 12.535 -3.568 -5.825 1.00 0.00 H new ATOM 0 HD1 HIS A 393 12.660 -6.219 -6.380 1.00 0.00 H new ATOM 0 HD2 HIS A 393 15.912 -3.916 -7.728 1.00 0.00 H new ATOM 0 HE1 HIS A 393 14.400 -7.885 -7.477 1.00 0.00 H new ATOM 869 N MET A 394 10.458 -4.639 -7.717 1.00 0.00 N ATOM 870 CA MET A 394 9.608 -5.759 -8.158 1.00 0.00 C ATOM 871 C MET A 394 9.039 -5.541 -9.569 1.00 0.00 C ATOM 872 O MET A 394 8.760 -6.509 -10.275 1.00 0.00 O ATOM 873 CB MET A 394 8.495 -6.118 -7.147 1.00 0.00 C ATOM 874 CG MET A 394 7.135 -5.406 -7.292 1.00 0.00 C ATOM 875 SD MET A 394 5.673 -6.424 -6.946 1.00 0.00 S ATOM 876 CE MET A 394 5.971 -6.822 -5.209 1.00 0.00 C ATOM 0 H MET A 394 10.144 -4.188 -6.858 1.00 0.00 H new ATOM 0 HA MET A 394 10.271 -6.623 -8.203 1.00 0.00 H new ATOM 0 HB2 MET A 394 8.319 -7.192 -7.210 1.00 0.00 H new ATOM 0 HB3 MET A 394 8.874 -5.915 -6.145 1.00 0.00 H new ATOM 0 HG2 MET A 394 7.123 -4.546 -6.623 1.00 0.00 H new ATOM 0 HG3 MET A 394 7.054 -5.020 -8.308 1.00 0.00 H new ATOM 0 HE1 MET A 394 5.084 -7.293 -4.786 1.00 0.00 H new ATOM 0 HE2 MET A 394 6.816 -7.506 -5.132 1.00 0.00 H new ATOM 0 HE3 MET A 394 6.193 -5.907 -4.659 1.00 0.00 H new ATOM 886 N THR A 395 8.874 -4.278 -9.977 1.00 0.00 N ATOM 887 CA THR A 395 8.383 -3.880 -11.305 1.00 0.00 C ATOM 888 C THR A 395 9.451 -4.135 -12.378 1.00 0.00 C ATOM 889 O THR A 395 9.131 -4.641 -13.457 1.00 0.00 O ATOM 890 CB THR A 395 7.869 -2.420 -11.264 1.00 0.00 C ATOM 891 OG1 THR A 395 6.475 -2.412 -11.492 1.00 0.00 O ATOM 892 CG2 THR A 395 8.476 -1.419 -12.249 1.00 0.00 C ATOM 0 H THR A 395 9.084 -3.480 -9.377 1.00 0.00 H new ATOM 0 HA THR A 395 7.531 -4.498 -11.587 1.00 0.00 H new ATOM 0 HB THR A 395 8.176 -2.083 -10.274 1.00 0.00 H new ATOM 0 HG1 THR A 395 6.144 -1.490 -11.465 1.00 0.00 H new ATOM 0 HG21 THR A 395 8.018 -0.441 -12.102 1.00 0.00 H new ATOM 0 HG22 THR A 395 9.550 -1.346 -12.078 1.00 0.00 H new ATOM 0 HG23 THR A 395 8.293 -1.756 -13.269 1.00 0.00 H new ATOM 900 N HIS A 396 10.723 -3.841 -12.085 1.00 0.00 N ATOM 901 CA HIS A 396 11.857 -4.118 -12.980 1.00 0.00 C ATOM 902 C HIS A 396 12.338 -5.588 -12.936 1.00 0.00 C ATOM 903 O HIS A 396 12.894 -6.090 -13.918 1.00 0.00 O ATOM 904 CB HIS A 396 13.011 -3.165 -12.631 1.00 0.00 C ATOM 905 CG HIS A 396 12.677 -1.708 -12.855 1.00 0.00 C ATOM 906 ND1 HIS A 396 12.183 -1.151 -14.015 1.00 0.00 N ATOM 907 CD2 HIS A 396 12.805 -0.691 -11.947 1.00 0.00 C ATOM 908 CE1 HIS A 396 12.010 0.165 -13.810 1.00 0.00 C ATOM 909 NE2 HIS A 396 12.380 0.498 -12.559 1.00 0.00 N ATOM 0 H HIS A 396 10.999 -3.398 -11.209 1.00 0.00 H new ATOM 0 HA HIS A 396 11.513 -3.951 -14.001 1.00 0.00 H new ATOM 0 HB2 HIS A 396 13.288 -3.310 -11.587 1.00 0.00 H new ATOM 0 HB3 HIS A 396 13.882 -3.427 -13.232 1.00 0.00 H new ATOM 0 HD2 HIS A 396 13.170 -0.787 -10.935 1.00 0.00 H new ATOM 0 HE1 HIS A 396 11.628 0.858 -14.545 1.00 0.00 H new ATOM 0 HE2 HIS A 396 12.356 1.428 -12.140 1.00 0.00 H new ATOM 917 N CYS A 397 12.146 -6.268 -11.800 1.00 0.00 N ATOM 918 CA CYS A 397 12.544 -7.646 -11.510 1.00 0.00 C ATOM 919 C CYS A 397 11.912 -8.686 -12.458 1.00 0.00 C ATOM 920 O CYS A 397 10.803 -8.503 -12.973 1.00 0.00 O ATOM 921 CB CYS A 397 12.175 -7.905 -10.040 1.00 0.00 C ATOM 922 SG CYS A 397 12.922 -9.415 -9.382 1.00 0.00 S ATOM 0 H CYS A 397 11.675 -5.837 -11.004 1.00 0.00 H new ATOM 0 HA CYS A 397 13.615 -7.761 -11.677 1.00 0.00 H new ATOM 0 HB2 CYS A 397 12.493 -7.055 -9.436 1.00 0.00 H new ATOM 0 HB3 CYS A 397 11.091 -7.973 -9.949 1.00 0.00 H new ATOM 0 HG CYS A 397 12.745 -9.461 -8.095 1.00 0.00 H new ATOM 927 N GLN A 398 12.622 -9.802 -12.652 1.00 0.00 N ATOM 928 CA GLN A 398 12.205 -10.924 -13.507 1.00 0.00 C ATOM 929 C GLN A 398 12.168 -12.274 -12.776 1.00 0.00 C ATOM 930 O GLN A 398 11.387 -13.147 -13.160 1.00 0.00 O ATOM 931 CB GLN A 398 13.110 -11.006 -14.750 1.00 0.00 C ATOM 932 CG GLN A 398 13.031 -9.755 -15.642 1.00 0.00 C ATOM 933 CD GLN A 398 13.886 -9.891 -16.904 1.00 0.00 C ATOM 934 OE1 GLN A 398 15.067 -10.215 -16.865 1.00 0.00 O ATOM 935 NE2 GLN A 398 13.334 -9.652 -18.076 1.00 0.00 N ATOM 0 H GLN A 398 13.527 -9.956 -12.208 1.00 0.00 H new ATOM 0 HA GLN A 398 11.178 -10.718 -13.810 1.00 0.00 H new ATOM 0 HB2 GLN A 398 14.142 -11.152 -14.431 1.00 0.00 H new ATOM 0 HB3 GLN A 398 12.831 -11.881 -15.337 1.00 0.00 H new ATOM 0 HG2 GLN A 398 11.994 -9.578 -15.925 1.00 0.00 H new ATOM 0 HG3 GLN A 398 13.360 -8.885 -15.074 1.00 0.00 H new ATOM 0 HE21 GLN A 398 12.352 -9.381 -18.132 1.00 0.00 H new ATOM 0 HE22 GLN A 398 13.888 -9.738 -18.928 1.00 0.00 H new ATOM 944 N ALA A 399 12.949 -12.448 -11.704 1.00 0.00 N ATOM 945 CA ALA A 399 12.903 -13.663 -10.893 1.00 0.00 C ATOM 946 C ALA A 399 11.712 -13.644 -9.929 1.00 0.00 C ATOM 947 O ALA A 399 11.009 -14.646 -9.802 1.00 0.00 O ATOM 948 CB ALA A 399 14.187 -13.800 -10.066 1.00 0.00 C ATOM 0 H ALA A 399 13.624 -11.756 -11.379 1.00 0.00 H new ATOM 0 HA ALA A 399 12.801 -14.505 -11.578 1.00 0.00 H new ATOM 0 HB1 ALA A 399 14.139 -14.709 -9.467 1.00 0.00 H new ATOM 0 HB2 ALA A 399 15.047 -13.851 -10.734 1.00 0.00 H new ATOM 0 HB3 ALA A 399 14.290 -12.937 -9.408 1.00 0.00 H new ATOM 954 N PRO A 400 11.524 -12.512 -9.242 1.00 0.00 N ATOM 955 CA PRO A 400 10.528 -12.234 -8.200 1.00 0.00 C ATOM 956 C PRO A 400 10.569 -13.170 -6.979 1.00 0.00 C ATOM 957 O PRO A 400 10.873 -12.747 -5.867 1.00 0.00 O ATOM 961 N LYS A 401 10.298 -14.461 -7.195 1.00 0.00 N ATOM 962 CA LYS A 401 10.336 -15.550 -6.195 1.00 0.00 C ATOM 963 C LYS A 401 11.766 -16.035 -5.951 1.00 0.00 C ATOM 964 O LYS A 401 12.197 -16.200 -4.812 1.00 0.00 O ATOM 965 CB LYS A 401 9.420 -16.711 -6.635 1.00 0.00 C ATOM 966 CG LYS A 401 7.937 -16.330 -6.814 1.00 0.00 C ATOM 967 CD LYS A 401 7.258 -15.848 -5.520 1.00 0.00 C ATOM 968 CE LYS A 401 5.795 -15.436 -5.754 1.00 0.00 C ATOM 969 NZ LYS A 401 4.897 -16.597 -6.005 1.00 0.00 N ATOM 0 H LYS A 401 10.031 -14.800 -8.119 1.00 0.00 H new ATOM 0 HA LYS A 401 9.964 -15.157 -5.249 1.00 0.00 H new ATOM 0 HB2 LYS A 401 9.794 -17.114 -7.576 1.00 0.00 H new ATOM 0 HB3 LYS A 401 9.489 -17.510 -5.897 1.00 0.00 H new ATOM 0 HG2 LYS A 401 7.862 -15.545 -7.567 1.00 0.00 H new ATOM 0 HG3 LYS A 401 7.394 -17.193 -7.198 1.00 0.00 H new ATOM 0 HD2 LYS A 401 7.296 -16.642 -4.774 1.00 0.00 H new ATOM 0 HD3 LYS A 401 7.812 -15.002 -5.114 1.00 0.00 H new ATOM 0 HE2 LYS A 401 5.435 -14.886 -4.885 1.00 0.00 H new ATOM 0 HE3 LYS A 401 5.746 -14.756 -6.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 3.925 -16.258 -6.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 5.220 -17.109 -6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 4.918 -17.236 -5.184 1.00 0.00 H new ATOM 983 N ALA A 402 12.507 -16.205 -7.048 1.00 0.00 N ATOM 984 CA ALA A 402 13.922 -16.579 -7.080 1.00 0.00 C ATOM 985 C ALA A 402 14.840 -15.382 -6.748 1.00 0.00 C ATOM 986 O ALA A 402 16.039 -15.566 -6.539 1.00 0.00 O ATOM 987 CB ALA A 402 14.243 -17.278 -8.410 1.00 0.00 C ATOM 0 H ALA A 402 12.118 -16.080 -7.982 1.00 0.00 H new ATOM 0 HA ALA A 402 14.127 -17.302 -6.290 1.00 0.00 H new ATOM 0 HB1 ALA A 402 15.297 -17.555 -8.430 1.00 0.00 H new ATOM 0 HB2 ALA A 402 13.630 -18.174 -8.507 1.00 0.00 H new ATOM 0 HB3 ALA A 402 14.030 -16.601 -9.237 1.00 0.00 H new ATOM 993 N CYS A 403 14.281 -14.161 -6.679 1.00 0.00 N ATOM 994 CA CYS A 403 14.925 -12.902 -6.320 1.00 0.00 C ATOM 995 C CYS A 403 15.039 -12.813 -4.799 1.00 0.00 C ATOM 996 O CYS A 403 14.529 -11.909 -4.140 1.00 0.00 O ATOM 997 CB CYS A 403 14.198 -11.678 -6.859 1.00 0.00 C ATOM 998 SG CYS A 403 15.300 -10.231 -6.743 1.00 0.00 S ATOM 0 H CYS A 403 13.292 -14.027 -6.890 1.00 0.00 H new ATOM 0 HA CYS A 403 15.912 -12.901 -6.782 1.00 0.00 H new ATOM 0 HB2 CYS A 403 13.901 -11.843 -7.895 1.00 0.00 H new ATOM 0 HB3 CYS A 403 13.285 -11.502 -6.290 1.00 0.00 H new ATOM 0 HG CYS A 403 15.331 -9.616 -7.888 1.00 0.00 H new ATOM 1003 N GLN A 404 15.670 -13.852 -4.274 1.00 0.00 N ATOM 1004 CA GLN A 404 16.045 -14.160 -2.893 1.00 0.00 C ATOM 1005 C GLN A 404 16.489 -12.959 -2.028 1.00 0.00 C ATOM 1006 O GLN A 404 16.612 -13.121 -0.811 1.00 0.00 O ATOM 1007 CB GLN A 404 17.066 -15.315 -2.875 1.00 0.00 C ATOM 1008 CG GLN A 404 18.535 -14.928 -3.130 1.00 0.00 C ATOM 1009 CD GLN A 404 18.788 -14.272 -4.486 1.00 0.00 C ATOM 1010 OE1 GLN A 404 18.796 -13.057 -4.629 1.00 0.00 O ATOM 1011 NE2 GLN A 404 19.010 -15.037 -5.532 1.00 0.00 N ATOM 0 H GLN A 404 15.975 -14.606 -4.890 1.00 0.00 H new ATOM 0 HA GLN A 404 15.126 -14.476 -2.400 1.00 0.00 H new ATOM 0 HB2 GLN A 404 17.006 -15.811 -1.906 1.00 0.00 H new ATOM 0 HB3 GLN A 404 16.769 -16.047 -3.626 1.00 0.00 H new ATOM 0 HG2 GLN A 404 18.860 -14.247 -2.344 1.00 0.00 H new ATOM 0 HG3 GLN A 404 19.153 -15.823 -3.052 1.00 0.00 H new ATOM 0 HE21 GLN A 404 19.007 -16.052 -5.431 1.00 0.00 H new ATOM 0 HE22 GLN A 404 19.185 -14.615 -6.444 1.00 0.00 H new ATOM 1020 N VAL A 405 16.701 -11.768 -2.615 1.00 0.00 N ATOM 1021 CA VAL A 405 16.961 -10.523 -1.870 1.00 0.00 C ATOM 1022 C VAL A 405 15.789 -10.341 -0.901 1.00 0.00 C ATOM 1023 O VAL A 405 14.643 -10.264 -1.344 1.00 0.00 O ATOM 1024 CB VAL A 405 17.049 -9.289 -2.794 1.00 0.00 C ATOM 1025 CG1 VAL A 405 17.545 -8.074 -1.999 1.00 0.00 C ATOM 1026 CG2 VAL A 405 18.003 -9.494 -3.972 1.00 0.00 C ATOM 0 H VAL A 405 16.697 -11.641 -3.627 1.00 0.00 H new ATOM 0 HA VAL A 405 17.920 -10.603 -1.359 1.00 0.00 H new ATOM 0 HB VAL A 405 16.044 -9.129 -3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 405 17.604 -7.208 -2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 405 16.851 -7.864 -1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 405 18.532 -8.286 -1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 405 18.023 -8.593 -4.585 1.00 0.00 H new ATOM 0 HG22 VAL A 405 19.006 -9.699 -3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 405 17.662 -10.336 -4.575 1.00 0.00 H new ATOM 1036 N ALA A 406 16.058 -10.334 0.407 1.00 0.00 N ATOM 1037 CA ALA A 406 15.053 -10.319 1.476 1.00 0.00 C ATOM 1038 C ALA A 406 13.775 -9.517 1.172 1.00 0.00 C ATOM 1039 O ALA A 406 12.672 -10.071 1.144 1.00 0.00 O ATOM 1040 CB ALA A 406 15.736 -9.825 2.754 1.00 0.00 C ATOM 0 H ALA A 406 17.013 -10.339 0.764 1.00 0.00 H new ATOM 0 HA ALA A 406 14.685 -11.339 1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 406 15.012 -9.803 3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 406 16.553 -10.498 3.013 1.00 0.00 H new ATOM 0 HB3 ALA A 406 16.130 -8.822 2.592 1.00 0.00 H new ATOM 1046 N HIS A 407 13.934 -8.215 0.919 1.00 0.00 N ATOM 1047 CA HIS A 407 12.814 -7.320 0.641 1.00 0.00 C ATOM 1048 C HIS A 407 11.990 -7.719 -0.592 1.00 0.00 C ATOM 1049 O HIS A 407 10.767 -7.746 -0.488 1.00 0.00 O ATOM 1050 CB HIS A 407 13.288 -5.859 0.576 1.00 0.00 C ATOM 1051 CG HIS A 407 14.316 -5.524 -0.484 1.00 0.00 C ATOM 1052 ND1 HIS A 407 14.111 -5.460 -1.847 1.00 0.00 N ATOM 1053 CD2 HIS A 407 15.604 -5.116 -0.260 1.00 0.00 C ATOM 1054 CE1 HIS A 407 15.249 -5.044 -2.429 1.00 0.00 C ATOM 1055 NE2 HIS A 407 16.191 -4.818 -1.497 1.00 0.00 N ATOM 0 H HIS A 407 14.844 -7.754 0.902 1.00 0.00 H new ATOM 0 HA HIS A 407 12.124 -7.419 1.479 1.00 0.00 H new ATOM 0 HB2 HIS A 407 12.416 -5.225 0.416 1.00 0.00 H new ATOM 0 HB3 HIS A 407 13.702 -5.592 1.548 1.00 0.00 H new ATOM 0 HD2 HIS A 407 16.085 -5.037 0.704 1.00 0.00 H new ATOM 0 HE1 HIS A 407 15.387 -4.911 -3.492 1.00 0.00 H new ATOM 0 HE2 HIS A 407 17.145 -4.494 -1.658 1.00 0.00 H new ATOM 1063 N CYS A 408 12.617 -8.049 -1.729 1.00 0.00 N ATOM 1064 CA CYS A 408 11.898 -8.409 -2.959 1.00 0.00 C ATOM 1065 C CYS A 408 11.266 -9.809 -2.881 1.00 0.00 C ATOM 1066 O CYS A 408 10.083 -9.964 -3.193 1.00 0.00 O ATOM 1067 CB CYS A 408 12.867 -8.309 -4.151 1.00 0.00 C ATOM 1068 SG CYS A 408 12.032 -8.739 -5.715 1.00 0.00 S ATOM 0 H CYS A 408 13.632 -8.074 -1.822 1.00 0.00 H new ATOM 0 HA CYS A 408 11.073 -7.709 -3.091 1.00 0.00 H new ATOM 0 HB2 CYS A 408 13.266 -7.297 -4.215 1.00 0.00 H new ATOM 0 HB3 CYS A 408 13.714 -8.976 -3.992 1.00 0.00 H new ATOM 0 HG CYS A 408 11.772 -10.013 -5.732 1.00 0.00 H new ATOM 1073 N ALA A 409 12.010 -10.821 -2.414 1.00 0.00 N ATOM 1074 CA ALA A 409 11.468 -12.168 -2.233 1.00 0.00 C ATOM 1075 C ALA A 409 10.217 -12.105 -1.333 1.00 0.00 C ATOM 1076 O ALA A 409 9.177 -12.682 -1.674 1.00 0.00 O ATOM 1077 CB ALA A 409 12.549 -13.113 -1.692 1.00 0.00 C ATOM 0 H ALA A 409 12.992 -10.728 -2.155 1.00 0.00 H new ATOM 0 HA ALA A 409 11.156 -12.577 -3.194 1.00 0.00 H new ATOM 0 HB1 ALA A 409 12.129 -14.111 -1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 409 13.379 -13.157 -2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 409 12.908 -12.744 -0.731 1.00 0.00 H new ATOM 1083 N SER A 410 10.278 -11.360 -0.218 1.00 0.00 N ATOM 1084 CA SER A 410 9.104 -11.153 0.636 1.00 0.00 C ATOM 1085 C SER A 410 8.004 -10.388 -0.109 1.00 0.00 C ATOM 1086 O SER A 410 6.890 -10.897 -0.199 1.00 0.00 O ATOM 1087 CB SER A 410 9.464 -10.415 1.930 1.00 0.00 C ATOM 1088 OG SER A 410 10.225 -11.264 2.774 1.00 0.00 O ATOM 0 H SER A 410 11.124 -10.894 0.110 1.00 0.00 H new ATOM 0 HA SER A 410 8.729 -12.142 0.900 1.00 0.00 H new ATOM 0 HB2 SER A 410 10.032 -9.514 1.699 1.00 0.00 H new ATOM 0 HB3 SER A 410 8.556 -10.097 2.442 1.00 0.00 H new ATOM 0 HG SER A 410 11.177 -11.165 2.565 1.00 0.00 H new ATOM 1094 N SER A 411 8.290 -9.207 -0.678 1.00 0.00 N ATOM 1095 CA SER A 411 7.304 -8.375 -1.392 1.00 0.00 C ATOM 1096 C SER A 411 6.503 -9.154 -2.436 1.00 0.00 C ATOM 1097 O SER A 411 5.272 -9.122 -2.433 1.00 0.00 O ATOM 1098 CB SER A 411 7.974 -7.131 -2.014 1.00 0.00 C ATOM 1099 OG SER A 411 8.461 -7.318 -3.326 1.00 0.00 O ATOM 0 H SER A 411 9.223 -8.796 -0.656 1.00 0.00 H new ATOM 0 HA SER A 411 6.584 -8.042 -0.644 1.00 0.00 H new ATOM 0 HB2 SER A 411 7.254 -6.313 -2.021 1.00 0.00 H new ATOM 0 HB3 SER A 411 8.801 -6.822 -1.374 1.00 0.00 H new ATOM 0 HG SER A 411 9.003 -8.133 -3.360 1.00 0.00 H new ATOM 1105 N ARG A 412 7.191 -9.908 -3.296 1.00 0.00 N ATOM 1106 CA ARG A 412 6.578 -10.746 -4.327 1.00 0.00 C ATOM 1107 C ARG A 412 5.801 -11.901 -3.710 1.00 0.00 C ATOM 1108 O ARG A 412 4.714 -12.187 -4.200 1.00 0.00 O ATOM 1109 CB ARG A 412 7.642 -11.243 -5.319 1.00 0.00 C ATOM 1110 CG ARG A 412 7.931 -10.212 -6.425 1.00 0.00 C ATOM 1111 CD ARG A 412 7.020 -10.389 -7.651 1.00 0.00 C ATOM 1112 NE ARG A 412 7.498 -9.593 -8.806 1.00 0.00 N ATOM 1113 CZ ARG A 412 7.788 -10.019 -10.025 1.00 0.00 C ATOM 1114 NH1 ARG A 412 7.617 -11.256 -10.400 1.00 0.00 N ATOM 1115 NH2 ARG A 412 8.265 -9.198 -10.913 1.00 0.00 N ATOM 0 H ARG A 412 8.210 -9.954 -3.295 1.00 0.00 H new ATOM 0 HA ARG A 412 5.862 -10.139 -4.881 1.00 0.00 H new ATOM 0 HB2 ARG A 412 8.564 -11.464 -4.781 1.00 0.00 H new ATOM 0 HB3 ARG A 412 7.306 -12.176 -5.772 1.00 0.00 H new ATOM 0 HG2 ARG A 412 7.801 -9.207 -6.023 1.00 0.00 H new ATOM 0 HG3 ARG A 412 8.972 -10.299 -6.735 1.00 0.00 H new ATOM 0 HD2 ARG A 412 6.980 -11.443 -7.926 1.00 0.00 H new ATOM 0 HD3 ARG A 412 6.004 -10.088 -7.396 1.00 0.00 H new ATOM 0 HE ARG A 412 7.618 -8.594 -8.641 1.00 0.00 H new ATOM 0 HH11 ARG A 412 7.245 -11.941 -9.743 1.00 0.00 H new ATOM 0 HH12 ARG A 412 7.855 -11.538 -11.351 1.00 0.00 H new ATOM 0 HH21 ARG A 412 8.418 -8.219 -10.672 1.00 0.00 H new ATOM 0 HH22 ARG A 412 8.486 -9.533 -11.851 1.00 0.00 H new ATOM 1129 N GLN A 413 6.282 -12.540 -2.637 1.00 0.00 N ATOM 1130 CA GLN A 413 5.500 -13.593 -1.960 1.00 0.00 C ATOM 1131 C GLN A 413 4.155 -13.055 -1.427 1.00 0.00 C ATOM 1132 O GLN A 413 3.111 -13.638 -1.732 1.00 0.00 O ATOM 1133 CB GLN A 413 6.318 -14.264 -0.845 1.00 0.00 C ATOM 1134 CG GLN A 413 7.285 -15.316 -1.410 1.00 0.00 C ATOM 1135 CD GLN A 413 8.237 -15.834 -0.334 1.00 0.00 C ATOM 1136 OE1 GLN A 413 8.067 -16.904 0.235 1.00 0.00 O ATOM 1137 NE2 GLN A 413 9.266 -15.081 -0.013 1.00 0.00 N ATOM 0 H GLN A 413 7.194 -12.354 -2.220 1.00 0.00 H new ATOM 0 HA GLN A 413 5.268 -14.354 -2.705 1.00 0.00 H new ATOM 0 HB2 GLN A 413 6.881 -13.507 -0.300 1.00 0.00 H new ATOM 0 HB3 GLN A 413 5.643 -14.735 -0.131 1.00 0.00 H new ATOM 0 HG2 GLN A 413 6.717 -16.148 -1.826 1.00 0.00 H new ATOM 0 HG3 GLN A 413 7.860 -14.882 -2.228 1.00 0.00 H new ATOM 0 HE21 GLN A 413 9.412 -14.188 -0.485 1.00 0.00 H new ATOM 0 HE22 GLN A 413 9.919 -15.389 0.708 1.00 0.00 H new ATOM 1146 N ILE A 414 4.138 -11.921 -0.710 1.00 0.00 N ATOM 1147 CA ILE A 414 2.884 -11.297 -0.252 1.00 0.00 C ATOM 1148 C ILE A 414 1.952 -10.790 -1.350 1.00 0.00 C ATOM 1149 O ILE A 414 0.744 -11.014 -1.278 1.00 0.00 O ATOM 1150 CB ILE A 414 3.040 -10.275 0.900 1.00 0.00 C ATOM 1151 CG1 ILE A 414 4.335 -9.458 1.056 1.00 0.00 C ATOM 1152 CG2 ILE A 414 2.454 -10.843 2.202 1.00 0.00 C ATOM 1153 CD1 ILE A 414 5.292 -10.022 2.121 1.00 0.00 C ATOM 0 H ILE A 414 4.980 -11.415 -0.434 1.00 0.00 H new ATOM 0 HA ILE A 414 2.369 -12.155 0.179 1.00 0.00 H new ATOM 0 HB ILE A 414 2.436 -9.436 0.556 1.00 0.00 H new ATOM 0 HG12 ILE A 414 4.851 -9.424 0.097 1.00 0.00 H new ATOM 0 HG13 ILE A 414 4.078 -8.431 1.317 1.00 0.00 H new ATOM 0 HG21 ILE A 414 2.571 -10.113 3.003 1.00 0.00 H new ATOM 0 HG22 ILE A 414 1.395 -11.059 2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 414 2.979 -11.760 2.468 1.00 0.00 H new ATOM 0 HD11 ILE A 414 6.183 -9.397 2.177 1.00 0.00 H new ATOM 0 HD12 ILE A 414 4.793 -10.031 3.090 1.00 0.00 H new ATOM 0 HD13 ILE A 414 5.578 -11.038 1.851 1.00 0.00 H new ATOM 1165 N ILE A 415 2.482 -10.136 -2.376 1.00 0.00 N ATOM 1166 CA ILE A 415 1.649 -9.641 -3.485 1.00 0.00 C ATOM 1167 C ILE A 415 1.149 -10.784 -4.386 1.00 0.00 C ATOM 1168 O ILE A 415 0.014 -10.741 -4.850 1.00 0.00 O ATOM 1169 CB ILE A 415 2.371 -8.475 -4.181 1.00 0.00 C ATOM 1170 CG1 ILE A 415 1.893 -7.155 -3.527 1.00 0.00 C ATOM 1171 CG2 ILE A 415 2.211 -8.499 -5.707 1.00 0.00 C ATOM 1172 CD1 ILE A 415 2.403 -5.875 -4.198 1.00 0.00 C ATOM 0 H ILE A 415 3.477 -9.933 -2.471 1.00 0.00 H new ATOM 0 HA ILE A 415 0.716 -9.220 -3.111 1.00 0.00 H new ATOM 0 HB ILE A 415 3.447 -8.571 -4.035 1.00 0.00 H new ATOM 0 HG12 ILE A 415 0.803 -7.139 -3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 415 2.208 -7.150 -2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 415 2.742 -7.652 -6.142 1.00 0.00 H new ATOM 0 HG22 ILE A 415 2.624 -9.427 -6.102 1.00 0.00 H new ATOM 0 HG23 ILE A 415 1.153 -8.434 -5.963 1.00 0.00 H new ATOM 0 HD11 ILE A 415 2.014 -5.006 -3.667 1.00 0.00 H new ATOM 0 HD12 ILE A 415 3.493 -5.859 -4.170 1.00 0.00 H new ATOM 0 HD13 ILE A 415 2.066 -5.848 -5.234 1.00 0.00 H new ATOM 1184 N SER A 416 1.931 -11.847 -4.579 1.00 0.00 N ATOM 1185 CA SER A 416 1.503 -13.047 -5.308 1.00 0.00 C ATOM 1186 C SER A 416 0.404 -13.768 -4.519 1.00 0.00 C ATOM 1187 O SER A 416 -0.591 -14.196 -5.110 1.00 0.00 O ATOM 1188 CB SER A 416 2.692 -13.953 -5.582 1.00 0.00 C ATOM 1189 OG SER A 416 2.347 -15.119 -6.312 1.00 0.00 O ATOM 0 H SER A 416 2.888 -11.902 -4.231 1.00 0.00 H new ATOM 0 HA SER A 416 1.088 -12.758 -6.274 1.00 0.00 H new ATOM 0 HB2 SER A 416 3.446 -13.395 -6.136 1.00 0.00 H new ATOM 0 HB3 SER A 416 3.144 -14.246 -4.634 1.00 0.00 H new ATOM 0 HG SER A 416 2.783 -15.097 -7.189 1.00 0.00 H new ATOM 1195 N HIS A 417 0.519 -13.826 -3.181 1.00 0.00 N ATOM 1196 CA HIS A 417 -0.555 -14.333 -2.323 1.00 0.00 C ATOM 1197 C HIS A 417 -1.816 -13.475 -2.536 1.00 0.00 C ATOM 1198 O HIS A 417 -2.871 -14.019 -2.847 1.00 0.00 O ATOM 1199 CB HIS A 417 -0.137 -14.351 -0.838 1.00 0.00 C ATOM 1200 CG HIS A 417 -1.311 -14.636 0.071 1.00 0.00 C ATOM 1201 ND1 HIS A 417 -1.876 -15.873 0.299 1.00 0.00 N ATOM 1202 CD2 HIS A 417 -2.189 -13.700 0.559 1.00 0.00 C ATOM 1203 CE1 HIS A 417 -3.081 -15.686 0.865 1.00 0.00 C ATOM 1204 NE2 HIS A 417 -3.321 -14.374 1.025 1.00 0.00 N ATOM 0 H HIS A 417 1.351 -13.525 -2.673 1.00 0.00 H new ATOM 0 HA HIS A 417 -0.769 -15.365 -2.599 1.00 0.00 H new ATOM 0 HB2 HIS A 417 0.633 -15.108 -0.686 1.00 0.00 H new ATOM 0 HB3 HIS A 417 0.304 -13.390 -0.573 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -2.032 -12.632 0.579 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -3.759 -16.477 1.150 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -4.165 -13.952 1.411 1.00 0.00 H new ATOM 1212 N TRP A 418 -1.707 -12.144 -2.431 1.00 0.00 N ATOM 1213 CA TRP A 418 -2.820 -11.206 -2.638 1.00 0.00 C ATOM 1214 C TRP A 418 -3.509 -11.385 -4.001 1.00 0.00 C ATOM 1215 O TRP A 418 -4.738 -11.325 -4.089 1.00 0.00 O ATOM 1216 CB TRP A 418 -2.304 -9.771 -2.487 1.00 0.00 C ATOM 1217 CG TRP A 418 -3.354 -8.712 -2.339 1.00 0.00 C ATOM 1218 CD1 TRP A 418 -4.147 -8.530 -1.257 1.00 0.00 C ATOM 1219 CD2 TRP A 418 -3.721 -7.657 -3.282 1.00 0.00 C ATOM 1220 NE1 TRP A 418 -4.966 -7.437 -1.458 1.00 0.00 N ATOM 1221 CE2 TRP A 418 -4.742 -6.854 -2.688 1.00 0.00 C ATOM 1222 CE3 TRP A 418 -3.290 -7.292 -4.578 1.00 0.00 C ATOM 1223 CZ2 TRP A 418 -5.299 -5.742 -3.338 1.00 0.00 C ATOM 1224 CZ3 TRP A 418 -3.846 -6.180 -5.242 1.00 0.00 C ATOM 1225 CH2 TRP A 418 -4.845 -5.404 -4.624 1.00 0.00 C ATOM 0 H TRP A 418 -0.829 -11.681 -2.196 1.00 0.00 H new ATOM 0 HA TRP A 418 -3.575 -11.419 -1.881 1.00 0.00 H new ATOM 0 HB2 TRP A 418 -1.649 -9.730 -1.617 1.00 0.00 H new ATOM 0 HB3 TRP A 418 -1.693 -9.531 -3.357 1.00 0.00 H new ATOM 0 HD1 TRP A 418 -4.140 -9.147 -0.370 1.00 0.00 H new ATOM 0 HE1 TRP A 418 -5.652 -7.102 -0.781 1.00 0.00 H new ATOM 0 HE3 TRP A 418 -2.523 -7.874 -5.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 418 -6.066 -5.154 -2.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 418 -3.503 -5.921 -6.233 1.00 0.00 H new ATOM 0 HH2 TRP A 418 -5.262 -4.550 -5.138 1.00 0.00 H new ATOM 1236 N LYS A 419 -2.727 -11.637 -5.064 1.00 0.00 N ATOM 1237 CA LYS A 419 -3.238 -11.880 -6.425 1.00 0.00 C ATOM 1238 C LYS A 419 -3.994 -13.213 -6.545 1.00 0.00 C ATOM 1239 O LYS A 419 -5.041 -13.264 -7.192 1.00 0.00 O ATOM 1240 CB LYS A 419 -2.066 -11.850 -7.422 1.00 0.00 C ATOM 1241 CG LYS A 419 -1.573 -10.424 -7.716 1.00 0.00 C ATOM 1242 CD LYS A 419 -0.212 -10.463 -8.432 1.00 0.00 C ATOM 1243 CE LYS A 419 0.336 -9.071 -8.760 1.00 0.00 C ATOM 1244 NZ LYS A 419 -0.477 -8.350 -9.777 1.00 0.00 N ATOM 0 H LYS A 419 -1.710 -11.678 -5.002 1.00 0.00 H new ATOM 0 HA LYS A 419 -3.952 -11.089 -6.654 1.00 0.00 H new ATOM 0 HB2 LYS A 419 -1.241 -12.440 -7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 419 -2.375 -12.322 -8.354 1.00 0.00 H new ATOM 0 HG2 LYS A 419 -2.302 -9.901 -8.335 1.00 0.00 H new ATOM 0 HG3 LYS A 419 -1.485 -9.864 -6.785 1.00 0.00 H new ATOM 0 HD2 LYS A 419 0.506 -10.991 -7.805 1.00 0.00 H new ATOM 0 HD3 LYS A 419 -0.310 -11.035 -9.355 1.00 0.00 H new ATOM 0 HE2 LYS A 419 0.375 -8.477 -7.847 1.00 0.00 H new ATOM 0 HE3 LYS A 419 1.360 -9.166 -9.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 419 -0.058 -7.416 -9.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 419 -0.494 -8.899 -10.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 419 -1.448 -8.231 -9.425 1.00 0.00 H new ATOM 1258 N ASN A 420 -3.466 -14.288 -5.952 1.00 0.00 N ATOM 1259 CA ASN A 420 -4.057 -15.634 -6.017 1.00 0.00 C ATOM 1260 C ASN A 420 -5.232 -15.885 -5.049 1.00 0.00 C ATOM 1261 O ASN A 420 -6.176 -16.596 -5.403 1.00 0.00 O ATOM 1262 CB ASN A 420 -2.941 -16.672 -5.792 1.00 0.00 C ATOM 1263 CG ASN A 420 -2.084 -16.868 -7.031 1.00 0.00 C ATOM 1264 OD1 ASN A 420 -2.435 -17.601 -7.946 1.00 0.00 O ATOM 1265 ND2 ASN A 420 -0.946 -16.219 -7.118 1.00 0.00 N ATOM 0 H ASN A 420 -2.605 -14.251 -5.406 1.00 0.00 H new ATOM 0 HA ASN A 420 -4.499 -15.729 -7.009 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -2.310 -16.352 -4.963 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -3.385 -17.625 -5.505 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -0.359 -16.327 -7.945 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -0.649 -15.607 -6.358 1.00 0.00 H new ATOM 1272 N CYS A 421 -5.164 -15.350 -3.830 1.00 0.00 N ATOM 1273 CA CYS A 421 -6.135 -15.553 -2.762 1.00 0.00 C ATOM 1274 C CYS A 421 -7.520 -14.930 -3.024 1.00 0.00 C ATOM 1275 O CYS A 421 -7.658 -13.827 -3.563 1.00 0.00 O ATOM 1276 CB CYS A 421 -5.524 -15.013 -1.463 1.00 0.00 C ATOM 1277 SG CYS A 421 -6.449 -15.585 -0.006 1.00 0.00 S ATOM 0 H CYS A 421 -4.397 -14.738 -3.551 1.00 0.00 H new ATOM 0 HA CYS A 421 -6.333 -16.623 -2.695 1.00 0.00 H new ATOM 0 HB2 CYS A 421 -4.486 -15.335 -1.386 1.00 0.00 H new ATOM 0 HB3 CYS A 421 -5.518 -13.923 -1.487 1.00 0.00 H new ATOM 0 HG CYS A 421 -6.532 -14.620 0.861 1.00 0.00 H new ATOM 1282 N THR A 422 -8.547 -15.661 -2.593 1.00 0.00 N ATOM 1283 CA THR A 422 -9.981 -15.320 -2.658 1.00 0.00 C ATOM 1284 C THR A 422 -10.683 -15.533 -1.303 1.00 0.00 C ATOM 1285 O THR A 422 -11.900 -15.351 -1.186 1.00 0.00 O ATOM 1286 CB THR A 422 -10.678 -16.184 -3.726 1.00 0.00 C ATOM 1287 OG1 THR A 422 -10.636 -17.549 -3.352 1.00 0.00 O ATOM 1288 CG2 THR A 422 -9.994 -16.080 -5.090 1.00 0.00 C ATOM 0 H THR A 422 -8.397 -16.571 -2.158 1.00 0.00 H new ATOM 0 HA THR A 422 -10.053 -14.264 -2.919 1.00 0.00 H new ATOM 0 HB THR A 422 -11.701 -15.815 -3.798 1.00 0.00 H new ATOM 0 HG1 THR A 422 -11.083 -18.090 -4.036 1.00 0.00 H new ATOM 0 HG21 THR A 422 -10.521 -16.706 -5.810 1.00 0.00 H new ATOM 0 HG22 THR A 422 -10.012 -15.044 -5.428 1.00 0.00 H new ATOM 0 HG23 THR A 422 -8.960 -16.416 -5.005 1.00 0.00 H new ATOM 1296 N ARG A 423 -9.925 -15.936 -0.272 1.00 0.00 N ATOM 1297 CA ARG A 423 -10.392 -16.274 1.078 1.00 0.00 C ATOM 1298 C ARG A 423 -11.014 -15.086 1.832 1.00 0.00 C ATOM 1299 O ARG A 423 -10.454 -13.988 1.894 1.00 0.00 O ATOM 1300 CB ARG A 423 -9.209 -16.916 1.830 1.00 0.00 C ATOM 1301 CG ARG A 423 -9.626 -17.514 3.174 1.00 0.00 C ATOM 1302 CD ARG A 423 -8.480 -18.220 3.900 1.00 0.00 C ATOM 1303 NE ARG A 423 -8.951 -18.671 5.219 1.00 0.00 N ATOM 1304 CZ ARG A 423 -8.265 -19.252 6.180 1.00 0.00 C ATOM 1305 NH1 ARG A 423 -7.006 -19.569 6.042 1.00 0.00 N ATOM 1306 NH2 ARG A 423 -8.851 -19.535 7.306 1.00 0.00 N ATOM 0 H ARG A 423 -8.915 -16.040 -0.365 1.00 0.00 H new ATOM 0 HA ARG A 423 -11.216 -16.983 1.008 1.00 0.00 H new ATOM 0 HB2 ARG A 423 -8.769 -17.696 1.210 1.00 0.00 H new ATOM 0 HB3 ARG A 423 -8.436 -16.165 1.994 1.00 0.00 H new ATOM 0 HG2 ARG A 423 -10.018 -16.721 3.811 1.00 0.00 H new ATOM 0 HG3 ARG A 423 -10.437 -18.224 3.013 1.00 0.00 H new ATOM 0 HD2 ARG A 423 -8.131 -19.070 3.314 1.00 0.00 H new ATOM 0 HD3 ARG A 423 -7.633 -17.543 4.014 1.00 0.00 H new ATOM 0 HE ARG A 423 -9.940 -18.512 5.414 1.00 0.00 H new ATOM 0 HH11 ARG A 423 -6.522 -19.367 5.167 1.00 0.00 H new ATOM 0 HH12 ARG A 423 -6.506 -20.019 6.809 1.00 0.00 H new ATOM 0 HH21 ARG A 423 -9.836 -19.307 7.440 1.00 0.00 H new ATOM 0 HH22 ARG A 423 -8.326 -19.985 8.055 1.00 0.00 H new ATOM 1320 N HIS A 424 -12.186 -15.325 2.420 1.00 0.00 N ATOM 1321 CA HIS A 424 -12.965 -14.377 3.216 1.00 0.00 C ATOM 1322 C HIS A 424 -12.490 -14.200 4.677 1.00 0.00 C ATOM 1323 O HIS A 424 -13.010 -13.336 5.379 1.00 0.00 O ATOM 1324 CB HIS A 424 -14.451 -14.767 3.159 1.00 0.00 C ATOM 1325 CG HIS A 424 -14.809 -16.000 3.956 1.00 0.00 C ATOM 1326 ND1 HIS A 424 -14.907 -17.291 3.482 1.00 0.00 N ATOM 1327 CD2 HIS A 424 -15.128 -16.039 5.289 1.00 0.00 C ATOM 1328 CE1 HIS A 424 -15.262 -18.088 4.505 1.00 0.00 C ATOM 1329 NE2 HIS A 424 -15.413 -17.368 5.632 1.00 0.00 N ATOM 0 H HIS A 424 -12.642 -16.235 2.350 1.00 0.00 H new ATOM 0 HA HIS A 424 -12.807 -13.398 2.764 1.00 0.00 H new ATOM 0 HB2 HIS A 424 -15.047 -13.930 3.522 1.00 0.00 H new ATOM 0 HB3 HIS A 424 -14.731 -14.929 2.118 1.00 0.00 H new ATOM 0 HD2 HIS A 424 -15.155 -15.192 5.959 1.00 0.00 H new ATOM 0 HE1 HIS A 424 -15.406 -19.156 4.433 1.00 0.00 H new ATOM 0 HE2 HIS A 424 -15.681 -17.719 6.551 1.00 0.00 H new ATOM 1337 N ASP A 425 -11.569 -15.045 5.155 1.00 0.00 N ATOM 1338 CA ASP A 425 -11.073 -15.138 6.541 1.00 0.00 C ATOM 1339 C ASP A 425 -9.554 -15.402 6.639 1.00 0.00 C ATOM 1340 O ASP A 425 -9.094 -16.224 7.434 1.00 0.00 O ATOM 1341 CB ASP A 425 -11.919 -16.158 7.328 1.00 0.00 C ATOM 1342 CG ASP A 425 -11.660 -17.624 6.923 1.00 0.00 C ATOM 1343 OD1 ASP A 425 -11.621 -17.940 5.711 1.00 0.00 O ATOM 1344 OD2 ASP A 425 -11.426 -18.478 7.812 1.00 0.00 O ATOM 0 H ASP A 425 -11.118 -15.729 4.547 1.00 0.00 H new ATOM 0 HA ASP A 425 -11.198 -14.160 7.006 1.00 0.00 H new ATOM 0 HB2 ASP A 425 -11.713 -16.043 8.392 1.00 0.00 H new ATOM 0 HB3 ASP A 425 -12.975 -15.931 7.181 1.00 0.00 H new ATOM 1349 N CYS A 426 -8.762 -14.714 5.809 1.00 0.00 N ATOM 1350 CA CYS A 426 -7.306 -14.908 5.723 1.00 0.00 C ATOM 1351 C CYS A 426 -6.550 -14.024 6.753 1.00 0.00 C ATOM 1352 O CYS A 426 -7.041 -12.942 7.083 1.00 0.00 O ATOM 1353 CB CYS A 426 -6.935 -14.582 4.274 1.00 0.00 C ATOM 1354 SG CYS A 426 -5.495 -15.517 3.678 1.00 0.00 S ATOM 0 H CYS A 426 -9.115 -14.000 5.172 1.00 0.00 H new ATOM 0 HA CYS A 426 -7.015 -15.928 5.974 1.00 0.00 H new ATOM 0 HB2 CYS A 426 -7.789 -14.793 3.630 1.00 0.00 H new ATOM 0 HB3 CYS A 426 -6.728 -13.515 4.190 1.00 0.00 H new ATOM 0 HG CYS A 426 -5.587 -15.683 2.392 1.00 0.00 H new ATOM 1359 N PRO A 427 -5.358 -14.422 7.250 1.00 0.00 N ATOM 1360 CA PRO A 427 -4.538 -13.670 8.216 1.00 0.00 C ATOM 1361 C PRO A 427 -4.195 -12.221 7.831 1.00 0.00 C ATOM 1362 O PRO A 427 -3.763 -11.448 8.688 1.00 0.00 O ATOM 1363 CB PRO A 427 -3.239 -14.471 8.380 1.00 0.00 C ATOM 1364 CG PRO A 427 -3.618 -15.887 7.965 1.00 0.00 C ATOM 1365 CD PRO A 427 -4.673 -15.647 6.890 1.00 0.00 C ATOM 0 HA PRO A 427 -5.124 -13.567 9.129 1.00 0.00 H new ATOM 0 HB2 PRO A 427 -2.443 -14.072 7.752 1.00 0.00 H new ATOM 0 HB3 PRO A 427 -2.879 -14.440 9.408 1.00 0.00 H new ATOM 0 HG2 PRO A 427 -2.762 -16.439 7.577 1.00 0.00 H new ATOM 0 HG3 PRO A 427 -4.015 -16.462 8.801 1.00 0.00 H new ATOM 0 HD2 PRO A 427 -4.211 -15.558 5.907 1.00 0.00 H new ATOM 0 HD3 PRO A 427 -5.372 -16.482 6.840 1.00 0.00 H new ATOM 1373 N VAL A 428 -4.363 -11.858 6.554 1.00 0.00 N ATOM 1374 CA VAL A 428 -4.068 -10.530 5.990 1.00 0.00 C ATOM 1375 C VAL A 428 -5.260 -9.977 5.191 1.00 0.00 C ATOM 1376 O VAL A 428 -5.610 -8.797 5.329 1.00 0.00 O ATOM 1377 CB VAL A 428 -2.818 -10.606 5.101 1.00 0.00 C ATOM 1378 CG1 VAL A 428 -2.405 -9.175 4.716 1.00 0.00 C ATOM 1379 CG2 VAL A 428 -1.630 -11.322 5.756 1.00 0.00 C ATOM 0 H VAL A 428 -4.723 -12.507 5.854 1.00 0.00 H new ATOM 0 HA VAL A 428 -3.881 -9.846 6.818 1.00 0.00 H new ATOM 0 HB VAL A 428 -3.083 -11.200 4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -1.518 -9.210 4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -3.219 -8.695 4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -2.185 -8.605 5.618 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -0.787 -11.334 5.065 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -1.345 -10.796 6.667 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -1.913 -12.346 6.002 1.00 0.00 H new ATOM 1389 N CYS A 429 -5.935 -10.831 4.409 1.00 0.00 N ATOM 1390 CA CYS A 429 -7.159 -10.461 3.706 1.00 0.00 C ATOM 1391 C CYS A 429 -8.295 -10.028 4.635 1.00 0.00 C ATOM 1392 O CYS A 429 -8.883 -8.994 4.351 1.00 0.00 O ATOM 1393 CB CYS A 429 -7.603 -11.499 2.663 1.00 0.00 C ATOM 1394 SG CYS A 429 -6.197 -12.401 1.930 1.00 0.00 S ATOM 0 H CYS A 429 -5.644 -11.795 4.250 1.00 0.00 H new ATOM 0 HA CYS A 429 -6.893 -9.569 3.139 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -8.283 -12.211 3.131 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -8.161 -10.998 1.872 1.00 0.00 H new ATOM 0 HG CYS A 429 -6.441 -12.640 0.676 1.00 0.00 H new ATOM 1399 N LEU A 430 -8.601 -10.730 5.739 1.00 0.00 N ATOM 1400 CA LEU A 430 -9.632 -10.276 6.676 1.00 0.00 C ATOM 1401 C LEU A 430 -9.350 -8.845 7.189 1.00 0.00 C ATOM 1402 O LEU A 430 -10.205 -7.976 6.990 1.00 0.00 O ATOM 1403 CB LEU A 430 -9.874 -11.298 7.790 1.00 0.00 C ATOM 1404 CG LEU A 430 -11.335 -11.724 7.904 1.00 0.00 C ATOM 1405 CD1 LEU A 430 -11.507 -12.667 9.100 1.00 0.00 C ATOM 1406 CD2 LEU A 430 -12.373 -10.616 8.023 1.00 0.00 C ATOM 0 H LEU A 430 -8.151 -11.607 6.000 1.00 0.00 H new ATOM 0 HA LEU A 430 -10.574 -10.209 6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 430 -9.258 -12.179 7.607 1.00 0.00 H new ATOM 0 HB3 LEU A 430 -9.550 -10.874 8.741 1.00 0.00 H new ATOM 0 HG LEU A 430 -11.535 -12.203 6.945 1.00 0.00 H new ATOM 0 HD11 LEU A 430 -12.551 -12.969 9.178 1.00 0.00 H new ATOM 0 HD12 LEU A 430 -10.884 -13.550 8.960 1.00 0.00 H new ATOM 0 HD13 LEU A 430 -11.208 -12.154 10.014 1.00 0.00 H new ATOM 0 HD21 LEU A 430 -13.368 -11.056 8.097 1.00 0.00 H new ATOM 0 HD22 LEU A 430 -12.172 -10.023 8.915 1.00 0.00 H new ATOM 0 HD23 LEU A 430 -12.324 -9.975 7.143 1.00 0.00 H new ATOM 1418 N PRO A 431 -8.159 -8.554 7.760 1.00 0.00 N ATOM 1419 CA PRO A 431 -7.741 -7.192 8.095 1.00 0.00 C ATOM 1420 C PRO A 431 -8.007 -6.167 6.984 1.00 0.00 C ATOM 1421 O PRO A 431 -8.681 -5.169 7.230 1.00 0.00 O ATOM 1422 CB PRO A 431 -6.237 -7.292 8.340 1.00 0.00 C ATOM 1423 CG PRO A 431 -6.063 -8.693 8.908 1.00 0.00 C ATOM 1424 CD PRO A 431 -7.099 -9.494 8.124 1.00 0.00 C ATOM 0 HA PRO A 431 -8.311 -6.836 8.953 1.00 0.00 H new ATOM 0 HB2 PRO A 431 -5.670 -7.159 7.418 1.00 0.00 H new ATOM 0 HB3 PRO A 431 -5.892 -6.530 9.039 1.00 0.00 H new ATOM 0 HG2 PRO A 431 -5.053 -9.072 8.752 1.00 0.00 H new ATOM 0 HG3 PRO A 431 -6.253 -8.723 9.981 1.00 0.00 H new ATOM 0 HD2 PRO A 431 -6.653 -9.940 7.235 1.00 0.00 H new ATOM 0 HD3 PRO A 431 -7.495 -10.312 8.726 1.00 0.00 H new ATOM 1432 N LEU A 432 -7.501 -6.399 5.764 1.00 0.00 N ATOM 1433 CA LEU A 432 -7.700 -5.473 4.633 1.00 0.00 C ATOM 1434 C LEU A 432 -9.152 -5.351 4.176 1.00 0.00 C ATOM 1435 O LEU A 432 -9.575 -4.282 3.730 1.00 0.00 O ATOM 1436 CB LEU A 432 -6.832 -5.896 3.438 1.00 0.00 C ATOM 1437 CG LEU A 432 -5.459 -5.205 3.532 1.00 0.00 C ATOM 1438 CD1 LEU A 432 -4.388 -6.031 2.824 1.00 0.00 C ATOM 1439 CD2 LEU A 432 -5.492 -3.814 2.893 1.00 0.00 C ATOM 0 H LEU A 432 -6.948 -7.224 5.532 1.00 0.00 H new ATOM 0 HA LEU A 432 -7.401 -4.492 5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 432 -6.707 -6.979 3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 432 -7.324 -5.626 2.504 1.00 0.00 H new ATOM 0 HG LEU A 432 -5.221 -5.114 4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 432 -3.426 -5.524 2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 432 -4.319 -7.014 3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 432 -4.653 -6.146 1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 432 -4.508 -3.352 2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 432 -5.764 -3.903 1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 432 -6.228 -3.195 3.407 1.00 0.00 H new