USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=22 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= -1.53 K(o=-1,f=-0.057) USER MOD Set 1.2: A 421 CYS SG : rot -100:sc= 0.362 USER MOD Set 1.3: A 426 CYS SG : rot -120:sc= -0.708 USER MOD Set 1.4: A 429 CYS SG : rot 159:sc= 0.884 USER MOD Set 2.1: A 401 LYS NZ :NH3+ 175:sc= 1.1 (180deg=0) USER MOD Set 2.2: A 413 GLN : amide:sc= 0.917 K(o=2,f=-4.8!) USER MOD Set 3.1: A 393 HIS : no HE2:sc= -1.38 K(o=-1.3,f=-0.45) USER MOD Set 3.2: A 397 CYS SG : rot 125:sc= 0.00418 USER MOD Set 3.3: A 403 CYS SG : rot 120:sc= 0.341 USER MOD Set 3.4: A 408 CYS SG : rot -148:sc= -0.271 USER MOD Set 4.1: A 394 MET CE :methyl 170:sc= -1.22 (180deg=-0.88) USER MOD Set 4.2: A 411 SER OG : rot -49:sc= 1.17 USER MOD Set 5.1: A 362 HIS : no HD1:sc= -0.712 X(o=-0.69,f=-0.7) USER MOD Set 5.2: A 366 CYS SG : rot -155:sc= -0.411 USER MOD Set 5.3: A 384 CYS SG : rot -9:sc= -1.41 USER MOD Set 5.4: A 388 LYS NZ :NH3+ 171:sc= 1.84 (180deg=1.06) USER MOD Set 6.1: A 356 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.31) USER MOD Set 6.2: A 387 MET CE :methyl -155:sc= 0 (180deg=-0.144) USER MOD Single : A 349 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.03) USER MOD Single : A 351 LYS NZ :NH3+ 173:sc= 1.01 (180deg=0.814) USER MOD Single : A 354 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 355 GLN : amide:sc= 0.53 K(o=0.53,f=-0.023) 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 K(o=0,f=-0.7) USER MOD Single : A 371 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 383 HIS : no HD1:sc= -0.0411 X(o=-0.041,f=-0.041) 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 392 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=-0.45) USER MOD Single : A 404 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 407 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.035) USER MOD Single : A 410 SER OG : rot 84:sc= 0.653 USER MOD Single : A 416 SER OG : rot 88:sc= 0.00385 USER MOD Single : A 419 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00498) USER MOD Single : A 420 ASN : amide:sc= 0.975 K(o=0.98,f=0) USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 424 HIS : no HD1:sc= -0.0569 X(o=-0.057,f=-0.099) USER MOD ----------------------------------------------------------------- ATOM 84 N PRO A 347 3.667 -16.182 15.459 1.00 0.00 N ATOM 85 CA PRO A 347 3.041 -14.862 15.518 1.00 0.00 C ATOM 86 C PRO A 347 3.877 -13.705 14.972 1.00 0.00 C ATOM 87 O PRO A 347 3.307 -12.771 14.420 1.00 0.00 O ATOM 88 CB PRO A 347 2.671 -14.636 16.988 1.00 0.00 C ATOM 89 CG PRO A 347 2.519 -16.053 17.535 1.00 0.00 C ATOM 90 CD PRO A 347 3.585 -16.824 16.760 1.00 0.00 C ATOM 0 HA PRO A 347 2.175 -14.864 14.856 1.00 0.00 H new ATOM 0 HB2 PRO A 347 3.446 -14.082 17.517 1.00 0.00 H new ATOM 0 HB3 PRO A 347 1.747 -14.066 17.087 1.00 0.00 H new ATOM 0 HG2 PRO A 347 2.691 -16.093 18.611 1.00 0.00 H new ATOM 0 HG3 PRO A 347 1.520 -16.452 17.357 1.00 0.00 H new ATOM 0 HD2 PRO A 347 4.545 -16.789 17.275 1.00 0.00 H new ATOM 0 HD3 PRO A 347 3.314 -17.875 16.661 1.00 0.00 H new ATOM 98 N GLU A 348 5.210 -13.754 15.062 1.00 0.00 N ATOM 99 CA GLU A 348 6.093 -12.700 14.537 1.00 0.00 C ATOM 100 C GLU A 348 5.968 -12.591 13.014 1.00 0.00 C ATOM 101 O GLU A 348 5.903 -11.492 12.460 1.00 0.00 O ATOM 102 CB GLU A 348 7.563 -12.949 14.907 1.00 0.00 C ATOM 103 CG GLU A 348 7.823 -13.238 16.395 1.00 0.00 C ATOM 104 CD GLU A 348 7.245 -12.161 17.331 1.00 0.00 C ATOM 105 OE1 GLU A 348 7.446 -10.946 17.088 1.00 0.00 O ATOM 106 OE2 GLU A 348 6.556 -12.512 18.317 1.00 0.00 O ATOM 0 H GLU A 348 5.711 -14.526 15.501 1.00 0.00 H new ATOM 0 HA GLU A 348 5.774 -11.765 14.997 1.00 0.00 H new ATOM 0 HB2 GLU A 348 7.931 -13.790 14.320 1.00 0.00 H new ATOM 0 HB3 GLU A 348 8.147 -12.076 14.615 1.00 0.00 H new ATOM 0 HG2 GLU A 348 7.389 -14.204 16.652 1.00 0.00 H new ATOM 0 HG3 GLU A 348 8.897 -13.316 16.561 1.00 0.00 H new ATOM 113 N LYS A 349 5.838 -13.736 12.337 1.00 0.00 N ATOM 114 CA LYS A 349 5.600 -13.778 10.894 1.00 0.00 C ATOM 115 C LYS A 349 4.241 -13.153 10.616 1.00 0.00 C ATOM 116 O LYS A 349 4.172 -12.264 9.783 1.00 0.00 O ATOM 117 CB LYS A 349 5.713 -15.209 10.351 1.00 0.00 C ATOM 118 CG LYS A 349 7.182 -15.602 10.136 1.00 0.00 C ATOM 119 CD LYS A 349 7.284 -17.041 9.606 1.00 0.00 C ATOM 120 CE LYS A 349 8.726 -17.496 9.333 1.00 0.00 C ATOM 121 NZ LYS A 349 9.582 -17.426 10.545 1.00 0.00 N ATOM 0 H LYS A 349 5.895 -14.656 12.774 1.00 0.00 H new ATOM 0 HA LYS A 349 6.365 -13.204 10.370 1.00 0.00 H new ATOM 0 HB2 LYS A 349 5.245 -15.904 11.048 1.00 0.00 H new ATOM 0 HB3 LYS A 349 5.170 -15.288 9.409 1.00 0.00 H new ATOM 0 HG2 LYS A 349 7.649 -14.915 9.430 1.00 0.00 H new ATOM 0 HG3 LYS A 349 7.729 -15.515 11.075 1.00 0.00 H new ATOM 0 HD2 LYS A 349 6.829 -17.718 10.329 1.00 0.00 H new ATOM 0 HD3 LYS A 349 6.706 -17.122 8.685 1.00 0.00 H new ATOM 0 HE2 LYS A 349 8.716 -18.519 8.957 1.00 0.00 H new ATOM 0 HE3 LYS A 349 9.158 -16.873 8.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 10.525 -17.806 10.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 9.670 -16.436 10.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 9.151 -17.987 11.307 1.00 0.00 H new ATOM 135 N ARG A 350 3.181 -13.533 11.342 1.00 0.00 N ATOM 136 CA ARG A 350 1.835 -12.940 11.190 1.00 0.00 C ATOM 137 C ARG A 350 1.877 -11.412 11.135 1.00 0.00 C ATOM 138 O ARG A 350 1.542 -10.857 10.090 1.00 0.00 O ATOM 139 CB ARG A 350 0.838 -13.465 12.246 1.00 0.00 C ATOM 140 CG ARG A 350 0.726 -14.998 12.362 1.00 0.00 C ATOM 141 CD ARG A 350 0.572 -15.743 11.031 1.00 0.00 C ATOM 142 NE ARG A 350 -0.573 -15.249 10.238 1.00 0.00 N ATOM 143 CZ ARG A 350 -0.747 -15.378 8.935 1.00 0.00 C ATOM 144 NH1 ARG A 350 0.094 -16.030 8.184 1.00 0.00 N ATOM 145 NH2 ARG A 350 -1.783 -14.845 8.355 1.00 0.00 N ATOM 0 H ARG A 350 3.227 -14.262 12.054 1.00 0.00 H new ATOM 0 HA ARG A 350 1.459 -13.272 10.223 1.00 0.00 H new ATOM 0 HB2 ARG A 350 1.126 -13.066 13.219 1.00 0.00 H new ATOM 0 HB3 ARG A 350 -0.149 -13.064 12.016 1.00 0.00 H new ATOM 0 HG2 ARG A 350 1.614 -15.374 12.870 1.00 0.00 H new ATOM 0 HG3 ARG A 350 -0.128 -15.237 12.995 1.00 0.00 H new ATOM 0 HD2 ARG A 350 1.487 -15.635 10.449 1.00 0.00 H new ATOM 0 HD3 ARG A 350 0.443 -16.808 11.226 1.00 0.00 H new ATOM 0 HE ARG A 350 -1.305 -14.757 10.750 1.00 0.00 H new ATOM 0 HH11 ARG A 350 0.920 -16.462 8.599 1.00 0.00 H new ATOM 0 HH12 ARG A 350 -0.073 -16.109 7.181 1.00 0.00 H new ATOM 0 HH21 ARG A 350 -2.465 -14.325 8.907 1.00 0.00 H new ATOM 0 HH22 ARG A 350 -1.913 -14.947 7.348 1.00 0.00 H new ATOM 159 N LYS A 351 2.347 -10.751 12.199 1.00 0.00 N ATOM 160 CA LYS A 351 2.473 -9.274 12.281 1.00 0.00 C ATOM 161 C LYS A 351 3.389 -8.670 11.214 1.00 0.00 C ATOM 162 O LYS A 351 2.922 -7.844 10.427 1.00 0.00 O ATOM 163 CB LYS A 351 2.881 -8.758 13.684 1.00 0.00 C ATOM 164 CG LYS A 351 3.464 -9.820 14.617 1.00 0.00 C ATOM 165 CD LYS A 351 4.161 -9.243 15.851 1.00 0.00 C ATOM 166 CE LYS A 351 4.117 -10.263 16.997 1.00 0.00 C ATOM 167 NZ LYS A 351 5.047 -9.899 18.094 1.00 0.00 N ATOM 0 H LYS A 351 2.658 -11.226 13.046 1.00 0.00 H new ATOM 0 HA LYS A 351 1.460 -8.925 12.081 1.00 0.00 H new ATOM 0 HB2 LYS A 351 3.614 -7.960 13.563 1.00 0.00 H new ATOM 0 HB3 LYS A 351 2.006 -8.317 14.161 1.00 0.00 H new ATOM 0 HG2 LYS A 351 2.663 -10.485 14.941 1.00 0.00 H new ATOM 0 HG3 LYS A 351 4.177 -10.428 14.060 1.00 0.00 H new ATOM 0 HD2 LYS A 351 5.195 -8.994 15.613 1.00 0.00 H new ATOM 0 HD3 LYS A 351 3.673 -8.318 16.156 1.00 0.00 H new ATOM 0 HE2 LYS A 351 3.101 -10.327 17.388 1.00 0.00 H new ATOM 0 HE3 LYS A 351 4.375 -11.251 16.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 4.904 -10.543 18.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 6.028 -9.978 17.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 4.862 -8.921 18.396 1.00 0.00 H new ATOM 181 N LEU A 352 4.671 -9.051 11.150 1.00 0.00 N ATOM 182 CA LEU A 352 5.568 -8.465 10.151 1.00 0.00 C ATOM 183 C LEU A 352 5.197 -8.742 8.685 1.00 0.00 C ATOM 184 O LEU A 352 5.241 -7.817 7.874 1.00 0.00 O ATOM 185 CB LEU A 352 7.061 -8.631 10.496 1.00 0.00 C ATOM 186 CG LEU A 352 7.471 -8.675 11.985 1.00 0.00 C ATOM 187 CD1 LEU A 352 8.916 -9.151 12.131 1.00 0.00 C ATOM 188 CD2 LEU A 352 7.358 -7.281 12.602 1.00 0.00 C ATOM 0 H LEU A 352 5.101 -9.745 11.762 1.00 0.00 H new ATOM 0 HA LEU A 352 5.389 -7.392 10.226 1.00 0.00 H new ATOM 0 HB2 LEU A 352 7.409 -9.552 10.029 1.00 0.00 H new ATOM 0 HB3 LEU A 352 7.603 -7.810 10.026 1.00 0.00 H new ATOM 0 HG LEU A 352 6.803 -9.368 12.497 1.00 0.00 H new ATOM 0 HD11 LEU A 352 9.186 -9.175 13.187 1.00 0.00 H new ATOM 0 HD12 LEU A 352 9.014 -10.151 11.708 1.00 0.00 H new ATOM 0 HD13 LEU A 352 9.580 -8.467 11.602 1.00 0.00 H new ATOM 0 HD21 LEU A 352 7.649 -7.323 13.652 1.00 0.00 H new ATOM 0 HD22 LEU A 352 8.016 -6.593 12.070 1.00 0.00 H new ATOM 0 HD23 LEU A 352 6.329 -6.931 12.525 1.00 0.00 H new ATOM 200 N ILE A 353 4.764 -9.954 8.325 1.00 0.00 N ATOM 201 CA ILE A 353 4.353 -10.276 6.944 1.00 0.00 C ATOM 202 C ILE A 353 3.056 -9.547 6.562 1.00 0.00 C ATOM 203 O ILE A 353 2.980 -8.934 5.493 1.00 0.00 O ATOM 204 CB ILE A 353 4.323 -11.813 6.739 1.00 0.00 C ATOM 205 CG1 ILE A 353 5.148 -12.230 5.510 1.00 0.00 C ATOM 206 CG2 ILE A 353 2.920 -12.452 6.747 1.00 0.00 C ATOM 207 CD1 ILE A 353 5.487 -13.728 5.512 1.00 0.00 C ATOM 0 H ILE A 353 4.687 -10.738 8.973 1.00 0.00 H new ATOM 0 HA ILE A 353 5.095 -9.898 6.241 1.00 0.00 H new ATOM 0 HB ILE A 353 4.799 -12.224 7.629 1.00 0.00 H new ATOM 0 HG12 ILE A 353 4.593 -11.987 4.604 1.00 0.00 H new ATOM 0 HG13 ILE A 353 6.071 -11.652 5.483 1.00 0.00 H new ATOM 0 HG21 ILE A 353 3.009 -13.528 6.596 1.00 0.00 H new ATOM 0 HG22 ILE A 353 2.438 -12.259 7.705 1.00 0.00 H new ATOM 0 HG23 ILE A 353 2.320 -12.022 5.945 1.00 0.00 H new ATOM 0 HD11 ILE A 353 6.070 -13.970 4.623 1.00 0.00 H new ATOM 0 HD12 ILE A 353 6.067 -13.969 6.403 1.00 0.00 H new ATOM 0 HD13 ILE A 353 4.565 -14.310 5.511 1.00 0.00 H new ATOM 219 N GLN A 354 2.046 -9.518 7.443 1.00 0.00 N ATOM 220 CA GLN A 354 0.829 -8.750 7.140 1.00 0.00 C ATOM 221 C GLN A 354 1.129 -7.249 7.032 1.00 0.00 C ATOM 222 O GLN A 354 0.523 -6.557 6.213 1.00 0.00 O ATOM 223 CB GLN A 354 -0.329 -9.031 8.113 1.00 0.00 C ATOM 224 CG GLN A 354 -0.272 -8.342 9.485 1.00 0.00 C ATOM 225 CD GLN A 354 -1.514 -8.664 10.315 1.00 0.00 C ATOM 226 OE1 GLN A 354 -1.539 -9.579 11.128 1.00 0.00 O ATOM 227 NE2 GLN A 354 -2.597 -7.930 10.148 1.00 0.00 N ATOM 0 H GLN A 354 2.043 -10.000 8.342 1.00 0.00 H new ATOM 0 HA GLN A 354 0.486 -9.097 6.165 1.00 0.00 H new ATOM 0 HB2 GLN A 354 -1.259 -8.738 7.626 1.00 0.00 H new ATOM 0 HB3 GLN A 354 -0.380 -10.107 8.277 1.00 0.00 H new ATOM 0 HG2 GLN A 354 0.621 -8.665 10.021 1.00 0.00 H new ATOM 0 HG3 GLN A 354 -0.190 -7.263 9.351 1.00 0.00 H new ATOM 0 HE21 GLN A 354 -2.595 -7.163 9.475 1.00 0.00 H new ATOM 0 HE22 GLN A 354 -3.437 -8.129 10.692 1.00 0.00 H new ATOM 236 N GLN A 355 2.098 -6.741 7.806 1.00 0.00 N ATOM 237 CA GLN A 355 2.469 -5.335 7.746 1.00 0.00 C ATOM 238 C GLN A 355 3.212 -5.033 6.442 1.00 0.00 C ATOM 239 O GLN A 355 3.000 -3.964 5.879 1.00 0.00 O ATOM 240 CB GLN A 355 3.253 -4.952 8.997 1.00 0.00 C ATOM 241 CG GLN A 355 3.758 -3.499 9.032 1.00 0.00 C ATOM 242 CD GLN A 355 2.621 -2.477 9.068 1.00 0.00 C ATOM 243 OE1 GLN A 355 2.205 -2.004 10.117 1.00 0.00 O ATOM 244 NE2 GLN A 355 2.066 -2.106 7.934 1.00 0.00 N ATOM 0 H GLN A 355 2.634 -7.289 8.478 1.00 0.00 H new ATOM 0 HA GLN A 355 1.574 -4.713 7.734 1.00 0.00 H new ATOM 0 HB2 GLN A 355 2.621 -5.122 9.869 1.00 0.00 H new ATOM 0 HB3 GLN A 355 4.109 -5.620 9.089 1.00 0.00 H new ATOM 0 HG2 GLN A 355 4.392 -3.361 9.907 1.00 0.00 H new ATOM 0 HG3 GLN A 355 4.379 -3.314 8.156 1.00 0.00 H new ATOM 0 HE21 GLN A 355 2.402 -2.492 7.052 1.00 0.00 H new ATOM 0 HE22 GLN A 355 1.300 -1.433 7.937 1.00 0.00 H new ATOM 253 N GLN A 356 4.036 -5.964 5.947 1.00 0.00 N ATOM 254 CA GLN A 356 4.805 -5.809 4.708 1.00 0.00 C ATOM 255 C GLN A 356 3.795 -5.654 3.570 1.00 0.00 C ATOM 256 O GLN A 356 3.870 -4.699 2.803 1.00 0.00 O ATOM 257 CB GLN A 356 5.565 -7.106 4.405 1.00 0.00 C ATOM 258 CG GLN A 356 6.954 -7.132 5.048 1.00 0.00 C ATOM 259 CD GLN A 356 7.884 -6.021 4.565 1.00 0.00 C ATOM 260 OE1 GLN A 356 8.175 -5.064 5.269 1.00 0.00 O ATOM 261 NE2 GLN A 356 8.385 -6.097 3.349 1.00 0.00 N ATOM 0 H GLN A 356 4.189 -6.862 6.405 1.00 0.00 H new ATOM 0 HA GLN A 356 5.489 -4.966 4.804 1.00 0.00 H new ATOM 0 HB2 GLN A 356 4.985 -7.956 4.764 1.00 0.00 H new ATOM 0 HB3 GLN A 356 5.665 -7.222 3.326 1.00 0.00 H new ATOM 0 HG2 GLN A 356 6.844 -7.055 6.130 1.00 0.00 H new ATOM 0 HG3 GLN A 356 7.420 -8.096 4.843 1.00 0.00 H new ATOM 0 HE21 GLN A 356 8.152 -6.889 2.750 1.00 0.00 H new ATOM 0 HE22 GLN A 356 9.006 -5.364 3.007 1.00 0.00 H new ATOM 270 N LEU A 357 2.830 -6.586 3.501 1.00 0.00 N ATOM 271 CA LEU A 357 1.739 -6.583 2.523 1.00 0.00 C ATOM 272 C LEU A 357 0.985 -5.232 2.568 1.00 0.00 C ATOM 273 O LEU A 357 0.864 -4.547 1.553 1.00 0.00 O ATOM 274 CB LEU A 357 0.821 -7.786 2.855 1.00 0.00 C ATOM 275 CG LEU A 357 0.080 -8.409 1.661 1.00 0.00 C ATOM 276 CD1 LEU A 357 -1.037 -9.333 2.138 1.00 0.00 C ATOM 277 CD2 LEU A 357 -0.494 -7.349 0.748 1.00 0.00 C ATOM 0 H LEU A 357 2.790 -7.379 4.141 1.00 0.00 H new ATOM 0 HA LEU A 357 2.114 -6.688 1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 357 1.425 -8.560 3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 357 0.083 -7.464 3.589 1.00 0.00 H new ATOM 0 HG LEU A 357 0.810 -8.990 1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 357 -1.547 -9.762 1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 357 -0.613 -10.133 2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 357 -1.750 -8.764 2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 357 -1.010 -7.827 -0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 357 -1.198 -6.731 1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 357 0.312 -6.724 0.364 1.00 0.00 H new ATOM 289 N VAL A 358 0.524 -4.805 3.748 1.00 0.00 N ATOM 290 CA VAL A 358 -0.174 -3.516 3.925 1.00 0.00 C ATOM 291 C VAL A 358 0.685 -2.309 3.494 1.00 0.00 C ATOM 292 O VAL A 358 0.156 -1.364 2.910 1.00 0.00 O ATOM 293 CB VAL A 358 -0.670 -3.389 5.384 1.00 0.00 C ATOM 294 CG1 VAL A 358 -1.182 -1.988 5.745 1.00 0.00 C ATOM 295 CG2 VAL A 358 -1.826 -4.367 5.659 1.00 0.00 C ATOM 0 H VAL A 358 0.622 -5.340 4.611 1.00 0.00 H new ATOM 0 HA VAL A 358 -1.038 -3.506 3.261 1.00 0.00 H new ATOM 0 HB VAL A 358 0.207 -3.613 5.992 1.00 0.00 H new ATOM 0 HG11 VAL A 358 -1.512 -1.978 6.784 1.00 0.00 H new ATOM 0 HG12 VAL A 358 -0.380 -1.262 5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 358 -2.018 -1.728 5.096 1.00 0.00 H new ATOM 0 HG21 VAL A 358 -2.157 -4.258 6.692 1.00 0.00 H new ATOM 0 HG22 VAL A 358 -2.656 -4.148 4.987 1.00 0.00 H new ATOM 0 HG23 VAL A 358 -1.485 -5.389 5.493 1.00 0.00 H new ATOM 305 N LEU A 359 2.006 -2.335 3.717 1.00 0.00 N ATOM 306 CA LEU A 359 2.922 -1.246 3.332 1.00 0.00 C ATOM 307 C LEU A 359 3.198 -1.242 1.818 1.00 0.00 C ATOM 308 O LEU A 359 3.315 -0.183 1.210 1.00 0.00 O ATOM 309 CB LEU A 359 4.242 -1.330 4.131 1.00 0.00 C ATOM 310 CG LEU A 359 4.707 -0.026 4.815 1.00 0.00 C ATOM 311 CD1 LEU A 359 4.677 1.212 3.917 1.00 0.00 C ATOM 312 CD2 LEU A 359 3.879 0.274 6.063 1.00 0.00 C ATOM 0 H LEU A 359 2.475 -3.117 4.173 1.00 0.00 H new ATOM 0 HA LEU A 359 2.431 -0.304 3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.131 -2.098 4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 359 5.031 -1.664 3.456 1.00 0.00 H new ATOM 0 HG LEU A 359 5.748 -0.221 5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 359 5.020 2.079 4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 359 5.331 1.055 3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 359 3.658 1.385 3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 359 4.232 1.198 6.520 1.00 0.00 H new ATOM 0 HD22 LEU A 359 2.830 0.384 5.786 1.00 0.00 H new ATOM 0 HD23 LEU A 359 3.983 -0.545 6.774 1.00 0.00 H new ATOM 324 N LEU A 360 3.248 -2.419 1.195 1.00 0.00 N ATOM 325 CA LEU A 360 3.380 -2.627 -0.253 1.00 0.00 C ATOM 326 C LEU A 360 2.174 -2.028 -0.982 1.00 0.00 C ATOM 327 O LEU A 360 2.301 -1.306 -1.975 1.00 0.00 O ATOM 328 CB LEU A 360 3.437 -4.151 -0.489 1.00 0.00 C ATOM 329 CG LEU A 360 4.789 -4.734 -0.926 1.00 0.00 C ATOM 330 CD1 LEU A 360 6.013 -4.128 -0.233 1.00 0.00 C ATOM 331 CD2 LEU A 360 4.776 -6.237 -0.634 1.00 0.00 C ATOM 0 H LEU A 360 3.195 -3.299 1.709 1.00 0.00 H new ATOM 0 HA LEU A 360 4.278 -2.141 -0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 360 3.134 -4.649 0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 360 2.696 -4.405 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 360 4.891 -4.498 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 360 6.918 -4.605 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 360 6.055 -3.058 -0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 360 5.939 -4.288 0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 360 5.727 -6.675 -0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 360 4.625 -6.399 0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 360 3.966 -6.709 -1.191 1.00 0.00 H new ATOM 343 N LEU A 361 0.985 -2.310 -0.456 1.00 0.00 N ATOM 344 CA LEU A 361 -0.256 -1.776 -0.996 1.00 0.00 C ATOM 345 C LEU A 361 -0.370 -0.277 -0.698 1.00 0.00 C ATOM 346 O LEU A 361 -0.818 0.459 -1.578 1.00 0.00 O ATOM 347 CB LEU A 361 -1.422 -2.635 -0.504 1.00 0.00 C ATOM 348 CG LEU A 361 -1.278 -4.097 -0.988 1.00 0.00 C ATOM 349 CD1 LEU A 361 -2.475 -4.887 -0.495 1.00 0.00 C ATOM 350 CD2 LEU A 361 -1.216 -4.264 -2.511 1.00 0.00 C ATOM 0 H LEU A 361 0.858 -2.915 0.356 1.00 0.00 H new ATOM 0 HA LEU A 361 -0.276 -1.837 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 361 -1.461 -2.611 0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 361 -2.362 -2.219 -0.866 1.00 0.00 H new ATOM 0 HG LEU A 361 -0.329 -4.453 -0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 361 -2.390 -5.922 -0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 361 -2.507 -4.857 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 361 -3.389 -4.451 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 361 -1.115 -5.321 -2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 361 -2.130 -3.873 -2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 361 -0.358 -3.717 -2.902 1.00 0.00 H new ATOM 362 N HIS A 362 0.128 0.203 0.453 1.00 0.00 N ATOM 363 CA HIS A 362 0.244 1.644 0.694 1.00 0.00 C ATOM 364 C HIS A 362 1.180 2.255 -0.359 1.00 0.00 C ATOM 365 O HIS A 362 0.838 3.281 -0.927 1.00 0.00 O ATOM 366 CB HIS A 362 0.735 1.992 2.109 1.00 0.00 C ATOM 367 CG HIS A 362 0.793 3.492 2.328 1.00 0.00 C ATOM 368 ND1 HIS A 362 -0.183 4.267 2.916 1.00 0.00 N ATOM 369 CD2 HIS A 362 1.752 4.356 1.861 1.00 0.00 C ATOM 370 CE1 HIS A 362 0.173 5.558 2.790 1.00 0.00 C ATOM 371 NE2 HIS A 362 1.342 5.667 2.138 1.00 0.00 N ATOM 0 H HIS A 362 0.453 -0.382 1.223 1.00 0.00 H new ATOM 0 HA HIS A 362 -0.757 2.067 0.611 1.00 0.00 H new ATOM 0 HB2 HIS A 362 0.070 1.542 2.846 1.00 0.00 H new ATOM 0 HB3 HIS A 362 1.724 1.562 2.267 1.00 0.00 H new ATOM 0 HD2 HIS A 362 2.668 4.073 1.364 1.00 0.00 H new ATOM 0 HE1 HIS A 362 -0.402 6.393 3.162 1.00 0.00 H new ATOM 0 HE2 HIS A 362 1.831 6.528 1.894 1.00 0.00 H new ATOM 379 N ALA A 363 2.326 1.641 -0.672 1.00 0.00 N ATOM 380 CA ALA A 363 3.246 2.130 -1.698 1.00 0.00 C ATOM 381 C ALA A 363 2.562 2.255 -3.069 1.00 0.00 C ATOM 382 O ALA A 363 2.696 3.297 -3.706 1.00 0.00 O ATOM 383 CB ALA A 363 4.492 1.241 -1.756 1.00 0.00 C ATOM 0 H ALA A 363 2.641 0.785 -0.216 1.00 0.00 H new ATOM 0 HA ALA A 363 3.561 3.137 -1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 363 5.170 1.614 -2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 363 4.995 1.256 -0.789 1.00 0.00 H new ATOM 0 HB3 ALA A 363 4.199 0.219 -1.997 1.00 0.00 H new ATOM 389 N HIS A 364 1.795 1.254 -3.518 1.00 0.00 N ATOM 390 CA HIS A 364 1.041 1.330 -4.777 1.00 0.00 C ATOM 391 C HIS A 364 0.025 2.496 -4.756 1.00 0.00 C ATOM 392 O HIS A 364 0.055 3.407 -5.595 1.00 0.00 O ATOM 393 CB HIS A 364 0.341 -0.015 -5.014 1.00 0.00 C ATOM 394 CG HIS A 364 -0.314 -0.114 -6.370 1.00 0.00 C ATOM 395 ND1 HIS A 364 0.299 -0.467 -7.552 1.00 0.00 N ATOM 396 CD2 HIS A 364 -1.630 0.136 -6.659 1.00 0.00 C ATOM 397 CE1 HIS A 364 -0.622 -0.433 -8.530 1.00 0.00 C ATOM 398 NE2 HIS A 364 -1.819 -0.067 -8.034 1.00 0.00 N ATOM 0 H HIS A 364 1.679 0.371 -3.021 1.00 0.00 H new ATOM 0 HA HIS A 364 1.729 1.530 -5.598 1.00 0.00 H new ATOM 0 HB2 HIS A 364 1.069 -0.819 -4.910 1.00 0.00 H new ATOM 0 HB3 HIS A 364 -0.413 -0.166 -4.242 1.00 0.00 H new ATOM 0 HD2 HIS A 364 -2.389 0.437 -5.952 1.00 0.00 H new ATOM 0 HE1 HIS A 364 -0.429 -0.666 -9.567 1.00 0.00 H new ATOM 0 HE2 HIS A 364 -2.690 0.041 -8.554 1.00 0.00 H new ATOM 406 N LYS A 365 -0.834 2.486 -3.725 1.00 0.00 N ATOM 407 CA LYS A 365 -1.847 3.515 -3.412 1.00 0.00 C ATOM 408 C LYS A 365 -1.254 4.916 -3.411 1.00 0.00 C ATOM 409 O LYS A 365 -1.869 5.844 -3.934 1.00 0.00 O ATOM 410 CB LYS A 365 -2.439 3.189 -2.027 1.00 0.00 C ATOM 411 CG LYS A 365 -3.256 4.301 -1.345 1.00 0.00 C ATOM 412 CD LYS A 365 -3.734 3.809 0.030 1.00 0.00 C ATOM 413 CE LYS A 365 -4.531 4.909 0.744 1.00 0.00 C ATOM 414 NZ LYS A 365 -5.116 4.426 2.024 1.00 0.00 N ATOM 0 H LYS A 365 -0.844 1.722 -3.050 1.00 0.00 H new ATOM 0 HA LYS A 365 -2.620 3.501 -4.181 1.00 0.00 H new ATOM 0 HB2 LYS A 365 -3.077 2.311 -2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 365 -1.620 2.913 -1.363 1.00 0.00 H new ATOM 0 HG2 LYS A 365 -2.647 5.198 -1.232 1.00 0.00 H new ATOM 0 HG3 LYS A 365 -4.111 4.572 -1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 365 -4.355 2.921 -0.090 1.00 0.00 H new ATOM 0 HD3 LYS A 365 -2.877 3.519 0.638 1.00 0.00 H new ATOM 0 HE2 LYS A 365 -3.879 5.760 0.941 1.00 0.00 H new ATOM 0 HE3 LYS A 365 -5.329 5.262 0.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 -5.647 5.198 2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 -5.757 3.630 1.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 -4.353 4.112 2.658 1.00 0.00 H new ATOM 428 N CYS A 366 -0.087 5.058 -2.794 1.00 0.00 N ATOM 429 CA CYS A 366 0.644 6.294 -2.628 1.00 0.00 C ATOM 430 C CYS A 366 1.440 6.704 -3.872 1.00 0.00 C ATOM 431 O CYS A 366 1.529 7.895 -4.129 1.00 0.00 O ATOM 432 CB CYS A 366 1.383 6.217 -1.295 1.00 0.00 C ATOM 433 SG CYS A 366 2.259 7.705 -0.755 1.00 0.00 S ATOM 0 H CYS A 366 0.396 4.264 -2.374 1.00 0.00 H new ATOM 0 HA CYS A 366 -0.025 7.151 -2.557 1.00 0.00 H new ATOM 0 HB2 CYS A 366 0.662 5.949 -0.523 1.00 0.00 H new ATOM 0 HB3 CYS A 366 2.104 5.402 -1.354 1.00 0.00 H new ATOM 0 HG CYS A 366 3.231 7.371 0.042 1.00 0.00 H new ATOM 438 N GLN A 367 1.948 5.792 -4.714 1.00 0.00 N ATOM 439 CA GLN A 367 2.517 6.188 -6.018 1.00 0.00 C ATOM 440 C GLN A 367 1.393 6.838 -6.844 1.00 0.00 C ATOM 441 O GLN A 367 1.577 7.921 -7.408 1.00 0.00 O ATOM 442 CB GLN A 367 3.151 5.004 -6.770 1.00 0.00 C ATOM 443 CG GLN A 367 4.561 4.676 -6.255 1.00 0.00 C ATOM 444 CD GLN A 367 5.313 3.730 -7.192 1.00 0.00 C ATOM 445 OE1 GLN A 367 5.391 2.528 -6.984 1.00 0.00 O ATOM 446 NE2 GLN A 367 5.900 4.231 -8.261 1.00 0.00 N ATOM 0 H GLN A 367 1.979 4.790 -4.524 1.00 0.00 H new ATOM 0 HA GLN A 367 3.328 6.897 -5.854 1.00 0.00 H new ATOM 0 HB2 GLN A 367 2.514 4.126 -6.664 1.00 0.00 H new ATOM 0 HB3 GLN A 367 3.200 5.236 -7.834 1.00 0.00 H new ATOM 0 HG2 GLN A 367 5.129 5.600 -6.142 1.00 0.00 H new ATOM 0 HG3 GLN A 367 4.489 4.223 -5.266 1.00 0.00 H new ATOM 0 HE21 GLN A 367 5.846 5.232 -8.451 1.00 0.00 H new ATOM 0 HE22 GLN A 367 6.408 3.618 -8.898 1.00 0.00 H new ATOM 455 N ARG A 368 0.194 6.232 -6.817 1.00 0.00 N ATOM 456 CA ARG A 368 -1.031 6.800 -7.398 1.00 0.00 C ATOM 457 C ARG A 368 -1.392 8.142 -6.756 1.00 0.00 C ATOM 458 O ARG A 368 -1.586 9.120 -7.479 1.00 0.00 O ATOM 459 CB ARG A 368 -2.129 5.727 -7.303 1.00 0.00 C ATOM 460 CG ARG A 368 -3.547 6.196 -7.676 1.00 0.00 C ATOM 461 CD ARG A 368 -4.612 5.525 -6.799 1.00 0.00 C ATOM 462 NE ARG A 368 -4.474 5.947 -5.386 1.00 0.00 N ATOM 463 CZ ARG A 368 -5.438 6.253 -4.541 1.00 0.00 C ATOM 464 NH1 ARG A 368 -6.701 6.132 -4.813 1.00 0.00 N ATOM 465 NH2 ARG A 368 -5.162 6.704 -3.356 1.00 0.00 N ATOM 0 H ARG A 368 0.048 5.320 -6.384 1.00 0.00 H new ATOM 0 HA ARG A 368 -0.891 7.049 -8.450 1.00 0.00 H new ATOM 0 HB2 ARG A 368 -1.857 4.895 -7.953 1.00 0.00 H new ATOM 0 HB3 ARG A 368 -2.149 5.341 -6.284 1.00 0.00 H new ATOM 0 HG2 ARG A 368 -3.614 7.278 -7.566 1.00 0.00 H new ATOM 0 HG3 ARG A 368 -3.742 5.969 -8.724 1.00 0.00 H new ATOM 0 HD2 ARG A 368 -5.606 5.783 -7.165 1.00 0.00 H new ATOM 0 HD3 ARG A 368 -4.518 4.441 -6.870 1.00 0.00 H new ATOM 0 HE ARG A 368 -3.522 6.008 -5.025 1.00 0.00 H new ATOM 0 HH11 ARG A 368 -6.995 5.783 -5.725 1.00 0.00 H new ATOM 0 HH12 ARG A 368 -7.400 6.386 -4.115 1.00 0.00 H new ATOM 0 HH21 ARG A 368 -4.190 6.825 -3.070 1.00 0.00 H new ATOM 0 HH22 ARG A 368 -5.917 6.937 -2.711 1.00 0.00 H new ATOM 479 N ARG A 369 -1.455 8.223 -5.421 1.00 0.00 N ATOM 480 CA ARG A 369 -1.805 9.469 -4.705 1.00 0.00 C ATOM 481 C ARG A 369 -0.836 10.610 -5.026 1.00 0.00 C ATOM 482 O ARG A 369 -1.242 11.763 -5.150 1.00 0.00 O ATOM 483 CB ARG A 369 -1.967 9.236 -3.172 1.00 0.00 C ATOM 484 CG ARG A 369 -0.809 9.760 -2.289 1.00 0.00 C ATOM 485 CD ARG A 369 -0.687 9.183 -0.876 1.00 0.00 C ATOM 486 NE ARG A 369 -1.839 9.460 0.000 1.00 0.00 N ATOM 487 CZ ARG A 369 -1.820 9.379 1.321 1.00 0.00 C ATOM 488 NH1 ARG A 369 -0.756 9.009 1.977 1.00 0.00 N ATOM 489 NH2 ARG A 369 -2.880 9.675 2.016 1.00 0.00 N ATOM 0 H ARG A 369 -1.267 7.433 -4.803 1.00 0.00 H new ATOM 0 HA ARG A 369 -2.781 9.783 -5.074 1.00 0.00 H new ATOM 0 HB2 ARG A 369 -2.892 9.712 -2.846 1.00 0.00 H new ATOM 0 HB3 ARG A 369 -2.079 8.166 -2.995 1.00 0.00 H new ATOM 0 HG2 ARG A 369 0.128 9.570 -2.813 1.00 0.00 H new ATOM 0 HG3 ARG A 369 -0.913 10.842 -2.204 1.00 0.00 H new ATOM 0 HD2 ARG A 369 -0.553 8.104 -0.949 1.00 0.00 H new ATOM 0 HD3 ARG A 369 0.213 9.585 -0.410 1.00 0.00 H new ATOM 0 HE ARG A 369 -2.715 9.734 -0.444 1.00 0.00 H new ATOM 0 HH11 ARG A 369 0.097 8.771 1.472 1.00 0.00 H new ATOM 0 HH12 ARG A 369 -0.777 8.958 2.995 1.00 0.00 H new ATOM 0 HH21 ARG A 369 -3.733 9.972 1.543 1.00 0.00 H new ATOM 0 HH22 ARG A 369 -2.857 9.610 3.034 1.00 0.00 H new ATOM 503 N GLU A 370 0.444 10.268 -5.146 1.00 0.00 N ATOM 504 CA GLU A 370 1.545 11.185 -5.399 1.00 0.00 C ATOM 505 C GLU A 370 1.426 11.781 -6.802 1.00 0.00 C ATOM 506 O GLU A 370 1.306 12.997 -6.956 1.00 0.00 O ATOM 507 CB GLU A 370 2.870 10.425 -5.231 1.00 0.00 C ATOM 508 CG GLU A 370 4.127 11.294 -5.303 1.00 0.00 C ATOM 509 CD GLU A 370 5.412 10.445 -5.175 1.00 0.00 C ATOM 510 OE1 GLU A 370 5.439 9.463 -4.389 1.00 0.00 O ATOM 511 OE2 GLU A 370 6.413 10.759 -5.864 1.00 0.00 O ATOM 0 H GLU A 370 0.753 9.299 -5.065 1.00 0.00 H new ATOM 0 HA GLU A 370 1.514 12.010 -4.687 1.00 0.00 H new ATOM 0 HB2 GLU A 370 2.857 9.910 -4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 370 2.932 9.658 -6.003 1.00 0.00 H new ATOM 0 HG2 GLU A 370 4.141 11.837 -6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 370 4.101 12.039 -4.508 1.00 0.00 H new ATOM 518 N GLN A 371 1.415 10.920 -7.828 1.00 0.00 N ATOM 519 CA GLN A 371 1.291 11.350 -9.229 1.00 0.00 C ATOM 520 C GLN A 371 -0.049 12.048 -9.537 1.00 0.00 C ATOM 521 O GLN A 371 -0.108 12.889 -10.436 1.00 0.00 O ATOM 522 CB GLN A 371 1.593 10.188 -10.194 1.00 0.00 C ATOM 523 CG GLN A 371 0.458 9.162 -10.343 1.00 0.00 C ATOM 524 CD GLN A 371 0.837 7.951 -11.200 1.00 0.00 C ATOM 525 OE1 GLN A 371 1.978 7.514 -11.275 1.00 0.00 O ATOM 526 NE2 GLN A 371 -0.112 7.353 -11.894 1.00 0.00 N ATOM 0 H GLN A 371 1.491 9.909 -7.712 1.00 0.00 H new ATOM 0 HA GLN A 371 2.050 12.116 -9.392 1.00 0.00 H new ATOM 0 HB2 GLN A 371 1.822 10.601 -11.177 1.00 0.00 H new ATOM 0 HB3 GLN A 371 2.488 9.671 -9.849 1.00 0.00 H new ATOM 0 HG2 GLN A 371 0.159 8.817 -9.353 1.00 0.00 H new ATOM 0 HG3 GLN A 371 -0.409 9.653 -10.785 1.00 0.00 H new ATOM 0 HE21 GLN A 371 -1.071 7.698 -11.849 1.00 0.00 H new ATOM 0 HE22 GLN A 371 0.113 6.546 -12.476 1.00 0.00 H new ATOM 535 N ALA A 372 -1.117 11.741 -8.786 1.00 0.00 N ATOM 536 CA ALA A 372 -2.433 12.376 -8.942 1.00 0.00 C ATOM 537 C ALA A 372 -2.472 13.873 -8.540 1.00 0.00 C ATOM 538 O ALA A 372 -3.462 14.549 -8.838 1.00 0.00 O ATOM 539 CB ALA A 372 -3.473 11.562 -8.160 1.00 0.00 C ATOM 0 H ALA A 372 -1.091 11.039 -8.047 1.00 0.00 H new ATOM 0 HA ALA A 372 -2.668 12.372 -10.006 1.00 0.00 H new ATOM 0 HB1 ALA A 372 -4.454 12.025 -8.269 1.00 0.00 H new ATOM 0 HB2 ALA A 372 -3.506 10.544 -8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 372 -3.198 11.538 -7.105 1.00 0.00 H new ATOM 652 N LEU A 381 4.593 8.703 7.145 1.00 0.00 N ATOM 653 CA LEU A 381 4.996 7.294 7.285 1.00 0.00 C ATOM 654 C LEU A 381 6.453 7.087 6.790 1.00 0.00 C ATOM 655 O LEU A 381 6.696 7.241 5.590 1.00 0.00 O ATOM 656 CB LEU A 381 3.968 6.458 6.490 1.00 0.00 C ATOM 657 CG LEU A 381 4.170 4.930 6.503 1.00 0.00 C ATOM 658 CD1 LEU A 381 4.064 4.335 7.908 1.00 0.00 C ATOM 659 CD2 LEU A 381 3.093 4.274 5.638 1.00 0.00 C ATOM 0 HA LEU A 381 4.997 6.976 8.328 1.00 0.00 H new ATOM 0 HB2 LEU A 381 2.975 6.675 6.883 1.00 0.00 H new ATOM 0 HB3 LEU A 381 3.981 6.796 5.454 1.00 0.00 H new ATOM 0 HG LEU A 381 5.173 4.738 6.121 1.00 0.00 H new ATOM 0 HD11 LEU A 381 4.214 3.257 7.859 1.00 0.00 H new ATOM 0 HD12 LEU A 381 4.826 4.779 8.549 1.00 0.00 H new ATOM 0 HD13 LEU A 381 3.076 4.545 8.319 1.00 0.00 H new ATOM 0 HD21 LEU A 381 3.231 3.193 5.643 1.00 0.00 H new ATOM 0 HD22 LEU A 381 2.108 4.516 6.037 1.00 0.00 H new ATOM 0 HD23 LEU A 381 3.171 4.645 4.616 1.00 0.00 H new ATOM 671 N PRO A 382 7.439 6.755 7.652 1.00 0.00 N ATOM 672 CA PRO A 382 8.844 6.633 7.234 1.00 0.00 C ATOM 673 C PRO A 382 9.128 5.439 6.310 1.00 0.00 C ATOM 674 O PRO A 382 9.928 5.552 5.379 1.00 0.00 O ATOM 675 CB PRO A 382 9.647 6.540 8.538 1.00 0.00 C ATOM 676 CG PRO A 382 8.656 5.941 9.534 1.00 0.00 C ATOM 677 CD PRO A 382 7.324 6.540 9.090 1.00 0.00 C ATOM 0 HA PRO A 382 9.125 7.493 6.627 1.00 0.00 H new ATOM 0 HB2 PRO A 382 10.528 5.909 8.421 1.00 0.00 H new ATOM 0 HB3 PRO A 382 9.998 7.520 8.863 1.00 0.00 H new ATOM 0 HG2 PRO A 382 8.645 4.852 9.488 1.00 0.00 H new ATOM 0 HG3 PRO A 382 8.900 6.214 10.561 1.00 0.00 H new ATOM 0 HD2 PRO A 382 6.498 5.867 9.319 1.00 0.00 H new ATOM 0 HD3 PRO A 382 7.125 7.477 9.610 1.00 0.00 H new ATOM 685 N HIS A 383 8.475 4.296 6.545 1.00 0.00 N ATOM 686 CA HIS A 383 8.651 3.065 5.758 1.00 0.00 C ATOM 687 C HIS A 383 8.160 3.180 4.302 1.00 0.00 C ATOM 688 O HIS A 383 8.580 2.400 3.445 1.00 0.00 O ATOM 689 CB HIS A 383 7.910 1.920 6.468 1.00 0.00 C ATOM 690 CG HIS A 383 8.275 1.761 7.927 1.00 0.00 C ATOM 691 ND1 HIS A 383 7.413 1.853 8.999 1.00 0.00 N ATOM 692 CD2 HIS A 383 9.525 1.525 8.435 1.00 0.00 C ATOM 693 CE1 HIS A 383 8.124 1.674 10.125 1.00 0.00 C ATOM 694 NE2 HIS A 383 9.422 1.472 9.832 1.00 0.00 N ATOM 0 H HIS A 383 7.797 4.196 7.300 1.00 0.00 H new ATOM 0 HA HIS A 383 9.722 2.871 5.698 1.00 0.00 H new ATOM 0 HB2 HIS A 383 6.837 2.092 6.390 1.00 0.00 H new ATOM 0 HB3 HIS A 383 8.122 0.986 5.947 1.00 0.00 H new ATOM 0 HD2 HIS A 383 10.431 1.401 7.860 1.00 0.00 H new ATOM 0 HE1 HIS A 383 7.712 1.690 11.123 1.00 0.00 H new ATOM 0 HE2 HIS A 383 10.180 1.312 10.495 1.00 0.00 H new ATOM 702 N CYS A 384 7.276 4.145 4.027 1.00 0.00 N ATOM 703 CA CYS A 384 6.646 4.391 2.735 1.00 0.00 C ATOM 704 C CYS A 384 7.636 4.493 1.561 1.00 0.00 C ATOM 705 O CYS A 384 7.476 3.784 0.570 1.00 0.00 O ATOM 706 CB CYS A 384 5.785 5.647 2.905 1.00 0.00 C ATOM 707 SG CYS A 384 4.813 5.987 1.417 1.00 0.00 S ATOM 0 H CYS A 384 6.968 4.807 4.739 1.00 0.00 H new ATOM 0 HA CYS A 384 6.033 3.534 2.455 1.00 0.00 H new ATOM 0 HB2 CYS A 384 5.117 5.519 3.757 1.00 0.00 H new ATOM 0 HB3 CYS A 384 6.425 6.501 3.127 1.00 0.00 H new ATOM 0 HG CYS A 384 5.205 5.205 0.455 1.00 0.00 H new ATOM 712 N ARG A 385 8.679 5.331 1.653 1.00 0.00 N ATOM 713 CA ARG A 385 9.666 5.515 0.564 1.00 0.00 C ATOM 714 C ARG A 385 10.537 4.282 0.299 1.00 0.00 C ATOM 715 O ARG A 385 10.807 3.955 -0.859 1.00 0.00 O ATOM 716 CB ARG A 385 10.483 6.802 0.787 1.00 0.00 C ATOM 717 CG ARG A 385 9.792 8.032 0.161 1.00 0.00 C ATOM 718 CD ARG A 385 8.401 8.372 0.724 1.00 0.00 C ATOM 719 NE ARG A 385 8.482 8.903 2.098 1.00 0.00 N ATOM 720 CZ ARG A 385 7.462 9.259 2.858 1.00 0.00 C ATOM 721 NH1 ARG A 385 6.223 9.048 2.524 1.00 0.00 N ATOM 722 NH2 ARG A 385 7.656 9.860 3.991 1.00 0.00 N ATOM 0 H ARG A 385 8.867 5.901 2.478 1.00 0.00 H new ATOM 0 HA ARG A 385 9.101 5.637 -0.360 1.00 0.00 H new ATOM 0 HB2 ARG A 385 10.619 6.966 1.856 1.00 0.00 H new ATOM 0 HB3 ARG A 385 11.476 6.682 0.354 1.00 0.00 H new ATOM 0 HG2 ARG A 385 10.440 8.898 0.296 1.00 0.00 H new ATOM 0 HG3 ARG A 385 9.699 7.867 -0.912 1.00 0.00 H new ATOM 0 HD2 ARG A 385 7.917 9.105 0.079 1.00 0.00 H new ATOM 0 HD3 ARG A 385 7.777 7.478 0.716 1.00 0.00 H new ATOM 0 HE ARG A 385 9.414 9.005 2.499 1.00 0.00 H new ATOM 0 HH11 ARG A 385 6.004 8.588 1.640 1.00 0.00 H new ATOM 0 HH12 ARG A 385 5.470 9.342 3.146 1.00 0.00 H new ATOM 0 HH21 ARG A 385 8.605 10.063 4.305 1.00 0.00 H new ATOM 0 HH22 ARG A 385 6.859 10.130 4.568 1.00 0.00 H new ATOM 736 N THR A 386 10.906 3.545 1.342 1.00 0.00 N ATOM 737 CA THR A 386 11.656 2.282 1.231 1.00 0.00 C ATOM 738 C THR A 386 10.789 1.240 0.526 1.00 0.00 C ATOM 739 O THR A 386 11.222 0.591 -0.424 1.00 0.00 O ATOM 740 CB THR A 386 12.070 1.763 2.620 1.00 0.00 C ATOM 741 OG1 THR A 386 12.742 2.784 3.330 1.00 0.00 O ATOM 742 CG2 THR A 386 13.017 0.565 2.537 1.00 0.00 C ATOM 0 H THR A 386 10.693 3.805 2.305 1.00 0.00 H new ATOM 0 HA THR A 386 12.562 2.463 0.652 1.00 0.00 H new ATOM 0 HB THR A 386 11.153 1.457 3.124 1.00 0.00 H new ATOM 0 HG1 THR A 386 13.002 2.451 4.214 1.00 0.00 H new ATOM 0 HG21 THR A 386 13.279 0.238 3.543 1.00 0.00 H new ATOM 0 HG22 THR A 386 12.526 -0.251 2.006 1.00 0.00 H new ATOM 0 HG23 THR A 386 13.922 0.853 2.002 1.00 0.00 H new ATOM 750 N MET A 387 9.529 1.119 0.943 1.00 0.00 N ATOM 751 CA MET A 387 8.557 0.208 0.339 1.00 0.00 C ATOM 752 C MET A 387 8.177 0.619 -1.086 1.00 0.00 C ATOM 753 O MET A 387 8.058 -0.248 -1.941 1.00 0.00 O ATOM 754 CB MET A 387 7.325 0.159 1.236 1.00 0.00 C ATOM 755 CG MET A 387 7.625 -0.666 2.496 1.00 0.00 C ATOM 756 SD MET A 387 7.789 -2.453 2.231 1.00 0.00 S ATOM 757 CE MET A 387 9.576 -2.673 2.450 1.00 0.00 C ATOM 0 H MET A 387 9.149 1.659 1.721 1.00 0.00 H new ATOM 0 HA MET A 387 9.008 -0.781 0.258 1.00 0.00 H new ATOM 0 HB2 MET A 387 7.028 1.170 1.515 1.00 0.00 H new ATOM 0 HB3 MET A 387 6.488 -0.281 0.694 1.00 0.00 H new ATOM 0 HG2 MET A 387 8.548 -0.295 2.942 1.00 0.00 H new ATOM 0 HG3 MET A 387 6.829 -0.494 3.221 1.00 0.00 H new ATOM 0 HE1 MET A 387 9.902 -3.561 1.909 1.00 0.00 H new ATOM 0 HE2 MET A 387 10.100 -1.799 2.063 1.00 0.00 H new ATOM 0 HE3 MET A 387 9.801 -2.791 3.510 1.00 0.00 H new ATOM 767 N LYS A 388 8.056 1.916 -1.391 1.00 0.00 N ATOM 768 CA LYS A 388 7.875 2.433 -2.760 1.00 0.00 C ATOM 769 C LYS A 388 9.055 2.007 -3.627 1.00 0.00 C ATOM 770 O LYS A 388 8.839 1.582 -4.758 1.00 0.00 O ATOM 771 CB LYS A 388 7.790 3.964 -2.732 1.00 0.00 C ATOM 772 CG LYS A 388 6.402 4.558 -2.440 1.00 0.00 C ATOM 773 CD LYS A 388 6.599 6.035 -2.060 1.00 0.00 C ATOM 774 CE LYS A 388 5.313 6.806 -1.756 1.00 0.00 C ATOM 775 NZ LYS A 388 4.577 7.242 -2.966 1.00 0.00 N ATOM 0 H LYS A 388 8.081 2.651 -0.685 1.00 0.00 H new ATOM 0 HA LYS A 388 6.952 2.029 -3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 388 8.487 4.333 -1.979 1.00 0.00 H new ATOM 0 HB3 LYS A 388 8.131 4.344 -3.695 1.00 0.00 H new ATOM 0 HG2 LYS A 388 5.756 4.470 -3.314 1.00 0.00 H new ATOM 0 HG3 LYS A 388 5.916 4.015 -1.629 1.00 0.00 H new ATOM 0 HD2 LYS A 388 7.249 6.085 -1.187 1.00 0.00 H new ATOM 0 HD3 LYS A 388 7.121 6.537 -2.875 1.00 0.00 H new ATOM 0 HE2 LYS A 388 4.659 6.179 -1.151 1.00 0.00 H new ATOM 0 HE3 LYS A 388 5.559 7.682 -1.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 3.648 7.620 -2.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 5.121 7.981 -3.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 4.445 6.431 -3.603 1.00 0.00 H new ATOM 789 N ASN A 389 10.287 2.057 -3.105 1.00 0.00 N ATOM 790 CA ASN A 389 11.459 1.593 -3.861 1.00 0.00 C ATOM 791 C ASN A 389 11.387 0.069 -4.110 1.00 0.00 C ATOM 792 O ASN A 389 11.611 -0.381 -5.233 1.00 0.00 O ATOM 793 CB ASN A 389 12.745 2.031 -3.142 1.00 0.00 C ATOM 794 CG ASN A 389 13.991 1.628 -3.916 1.00 0.00 C ATOM 795 OD1 ASN A 389 14.582 0.582 -3.687 1.00 0.00 O ATOM 796 ND2 ASN A 389 14.428 2.434 -4.858 1.00 0.00 N ATOM 0 H ASN A 389 10.498 2.410 -2.172 1.00 0.00 H new ATOM 0 HA ASN A 389 11.468 2.056 -4.848 1.00 0.00 H new ATOM 0 HB2 ASN A 389 12.735 3.113 -3.007 1.00 0.00 H new ATOM 0 HB3 ASN A 389 12.775 1.586 -2.148 1.00 0.00 H new ATOM 0 HD21 ASN A 389 15.258 2.187 -5.396 1.00 0.00 H new ATOM 0 HD22 ASN A 389 13.937 3.307 -5.051 1.00 0.00 H new ATOM 803 N VAL A 390 11.004 -0.714 -3.095 1.00 0.00 N ATOM 804 CA VAL A 390 10.805 -2.177 -3.176 1.00 0.00 C ATOM 805 C VAL A 390 9.693 -2.549 -4.156 1.00 0.00 C ATOM 806 O VAL A 390 9.840 -3.495 -4.917 1.00 0.00 O ATOM 807 CB VAL A 390 10.440 -2.724 -1.780 1.00 0.00 C ATOM 808 CG1 VAL A 390 9.877 -4.156 -1.751 1.00 0.00 C ATOM 809 CG2 VAL A 390 11.652 -2.691 -0.851 1.00 0.00 C ATOM 0 H VAL A 390 10.817 -0.342 -2.164 1.00 0.00 H new ATOM 0 HA VAL A 390 11.736 -2.616 -3.533 1.00 0.00 H new ATOM 0 HB VAL A 390 9.643 -2.059 -1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 390 9.655 -4.439 -0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 390 8.964 -4.200 -2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 390 10.613 -4.845 -2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 390 11.371 -3.081 0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 390 12.449 -3.304 -1.271 1.00 0.00 H new ATOM 0 HG23 VAL A 390 12.002 -1.664 -0.745 1.00 0.00 H new ATOM 819 N LEU A 391 8.578 -1.823 -4.145 1.00 0.00 N ATOM 820 CA LEU A 391 7.409 -2.061 -4.994 1.00 0.00 C ATOM 821 C LEU A 391 7.677 -1.611 -6.444 1.00 0.00 C ATOM 822 O LEU A 391 7.329 -2.319 -7.390 1.00 0.00 O ATOM 823 CB LEU A 391 6.207 -1.406 -4.279 1.00 0.00 C ATOM 824 CG LEU A 391 4.781 -1.585 -4.833 1.00 0.00 C ATOM 825 CD1 LEU A 391 4.439 -0.524 -5.873 1.00 0.00 C ATOM 826 CD2 LEU A 391 4.501 -2.981 -5.387 1.00 0.00 C ATOM 0 H LEU A 391 8.457 -1.024 -3.523 1.00 0.00 H new ATOM 0 HA LEU A 391 7.176 -3.119 -5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 391 6.203 -1.773 -3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 391 6.403 -0.335 -4.233 1.00 0.00 H new ATOM 0 HG LEU A 391 4.128 -1.457 -3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 391 3.425 -0.686 -6.238 1.00 0.00 H new ATOM 0 HD12 LEU A 391 4.508 0.465 -5.420 1.00 0.00 H new ATOM 0 HD13 LEU A 391 5.140 -0.591 -6.705 1.00 0.00 H new ATOM 0 HD21 LEU A 391 3.477 -3.027 -5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 391 5.192 -3.194 -6.203 1.00 0.00 H new ATOM 0 HD23 LEU A 391 4.634 -3.720 -4.596 1.00 0.00 H new ATOM 838 N ASN A 392 8.390 -0.500 -6.648 1.00 0.00 N ATOM 839 CA ASN A 392 8.844 -0.081 -7.977 1.00 0.00 C ATOM 840 C ASN A 392 9.826 -1.132 -8.550 1.00 0.00 C ATOM 841 O ASN A 392 9.724 -1.543 -9.712 1.00 0.00 O ATOM 842 CB ASN A 392 9.482 1.313 -7.864 1.00 0.00 C ATOM 843 CG ASN A 392 9.866 1.873 -9.223 1.00 0.00 C ATOM 844 OD1 ASN A 392 9.020 2.207 -10.041 1.00 0.00 O ATOM 845 ND2 ASN A 392 11.142 1.996 -9.511 1.00 0.00 N ATOM 0 H ASN A 392 8.668 0.133 -5.898 1.00 0.00 H new ATOM 0 HA ASN A 392 8.005 -0.015 -8.669 1.00 0.00 H new ATOM 0 HB2 ASN A 392 8.784 1.993 -7.375 1.00 0.00 H new ATOM 0 HB3 ASN A 392 10.368 1.256 -7.231 1.00 0.00 H new ATOM 0 HD21 ASN A 392 11.427 2.370 -10.416 1.00 0.00 H new ATOM 0 HD22 ASN A 392 11.848 1.718 -8.829 1.00 0.00 H new ATOM 852 N HIS A 393 10.735 -1.630 -7.701 1.00 0.00 N ATOM 853 CA HIS A 393 11.669 -2.684 -8.065 1.00 0.00 C ATOM 854 C HIS A 393 10.901 -3.948 -8.426 1.00 0.00 C ATOM 855 O HIS A 393 11.028 -4.421 -9.543 1.00 0.00 O ATOM 856 CB HIS A 393 12.649 -2.984 -6.921 1.00 0.00 C ATOM 857 CG HIS A 393 13.561 -4.146 -7.249 1.00 0.00 C ATOM 858 ND1 HIS A 393 14.759 -4.104 -7.928 1.00 0.00 N ATOM 859 CD2 HIS A 393 13.226 -5.468 -7.121 1.00 0.00 C ATOM 860 CE1 HIS A 393 15.118 -5.369 -8.221 1.00 0.00 C ATOM 861 NE2 HIS A 393 14.196 -6.239 -7.772 1.00 0.00 N ATOM 0 H HIS A 393 10.837 -1.306 -6.739 1.00 0.00 H new ATOM 0 HA HIS A 393 12.246 -2.343 -8.925 1.00 0.00 H new ATOM 0 HB2 HIS A 393 13.250 -2.098 -6.716 1.00 0.00 H new ATOM 0 HB3 HIS A 393 12.089 -3.207 -6.013 1.00 0.00 H new ATOM 0 HD1 HIS A 393 15.283 -3.262 -8.167 1.00 0.00 H new ATOM 0 HD2 HIS A 393 12.359 -5.851 -6.604 1.00 0.00 H new ATOM 0 HE1 HIS A 393 16.021 -5.646 -8.744 1.00 0.00 H new ATOM 869 N MET A 394 10.099 -4.484 -7.505 1.00 0.00 N ATOM 870 CA MET A 394 9.357 -5.733 -7.697 1.00 0.00 C ATOM 871 C MET A 394 8.376 -5.687 -8.872 1.00 0.00 C ATOM 872 O MET A 394 8.104 -6.739 -9.452 1.00 0.00 O ATOM 873 CB MET A 394 8.681 -6.192 -6.396 1.00 0.00 C ATOM 874 CG MET A 394 7.396 -5.444 -6.068 1.00 0.00 C ATOM 875 SD MET A 394 5.855 -6.333 -6.369 1.00 0.00 S ATOM 876 CE MET A 394 5.757 -7.072 -4.727 1.00 0.00 C ATOM 0 H MET A 394 9.944 -4.058 -6.592 1.00 0.00 H new ATOM 0 HA MET A 394 10.097 -6.485 -7.968 1.00 0.00 H new ATOM 0 HB2 MET A 394 8.461 -7.257 -6.469 1.00 0.00 H new ATOM 0 HB3 MET A 394 9.382 -6.068 -5.571 1.00 0.00 H new ATOM 0 HG2 MET A 394 7.426 -5.157 -5.017 1.00 0.00 H new ATOM 0 HG3 MET A 394 7.379 -4.522 -6.650 1.00 0.00 H new ATOM 0 HE1 MET A 394 4.782 -7.541 -4.597 1.00 0.00 H new ATOM 0 HE2 MET A 394 6.538 -7.824 -4.619 1.00 0.00 H new ATOM 0 HE3 MET A 394 5.892 -6.298 -3.971 1.00 0.00 H new ATOM 886 N THR A 395 7.875 -4.504 -9.260 1.00 0.00 N ATOM 887 CA THR A 395 7.006 -4.403 -10.450 1.00 0.00 C ATOM 888 C THR A 395 7.853 -4.410 -11.732 1.00 0.00 C ATOM 889 O THR A 395 7.473 -5.047 -12.718 1.00 0.00 O ATOM 890 CB THR A 395 5.991 -3.246 -10.375 1.00 0.00 C ATOM 891 OG1 THR A 395 4.940 -3.493 -11.285 1.00 0.00 O ATOM 892 CG2 THR A 395 6.525 -1.852 -10.693 1.00 0.00 C ATOM 0 H THR A 395 8.049 -3.620 -8.782 1.00 0.00 H new ATOM 0 HA THR A 395 6.376 -5.292 -10.476 1.00 0.00 H new ATOM 0 HB THR A 395 5.684 -3.232 -9.329 1.00 0.00 H new ATOM 0 HG1 THR A 395 4.290 -2.761 -11.241 1.00 0.00 H new ATOM 0 HG21 THR A 395 5.718 -1.125 -10.607 1.00 0.00 H new ATOM 0 HG22 THR A 395 7.319 -1.598 -9.991 1.00 0.00 H new ATOM 0 HG23 THR A 395 6.920 -1.837 -11.709 1.00 0.00 H new ATOM 900 N HIS A 396 9.042 -3.785 -11.717 1.00 0.00 N ATOM 901 CA HIS A 396 9.992 -3.837 -12.841 1.00 0.00 C ATOM 902 C HIS A 396 10.732 -5.199 -12.963 1.00 0.00 C ATOM 903 O HIS A 396 11.115 -5.611 -14.062 1.00 0.00 O ATOM 904 CB HIS A 396 11.003 -2.693 -12.654 1.00 0.00 C ATOM 905 CG HIS A 396 12.028 -2.601 -13.756 1.00 0.00 C ATOM 906 ND1 HIS A 396 13.360 -2.947 -13.667 1.00 0.00 N ATOM 907 CD2 HIS A 396 11.807 -2.185 -15.043 1.00 0.00 C ATOM 908 CE1 HIS A 396 13.928 -2.747 -14.868 1.00 0.00 C ATOM 909 NE2 HIS A 396 13.019 -2.279 -15.744 1.00 0.00 N ATOM 0 H HIS A 396 9.371 -3.230 -10.927 1.00 0.00 H new ATOM 0 HA HIS A 396 9.431 -3.726 -13.769 1.00 0.00 H new ATOM 0 HB2 HIS A 396 10.462 -1.749 -12.594 1.00 0.00 H new ATOM 0 HB3 HIS A 396 11.517 -2.827 -11.702 1.00 0.00 H new ATOM 0 HD2 HIS A 396 10.865 -1.844 -15.447 1.00 0.00 H new ATOM 0 HE1 HIS A 396 14.966 -2.935 -15.098 1.00 0.00 H new ATOM 0 HE2 HIS A 396 13.179 -2.040 -16.723 1.00 0.00 H new ATOM 917 N CYS A 397 10.947 -5.881 -11.833 1.00 0.00 N ATOM 918 CA CYS A 397 11.672 -7.137 -11.638 1.00 0.00 C ATOM 919 C CYS A 397 11.224 -8.267 -12.580 1.00 0.00 C ATOM 920 O CYS A 397 10.061 -8.685 -12.575 1.00 0.00 O ATOM 921 CB CYS A 397 11.522 -7.510 -10.155 1.00 0.00 C ATOM 922 SG CYS A 397 12.613 -8.864 -9.670 1.00 0.00 S ATOM 0 H CYS A 397 10.581 -5.532 -10.947 1.00 0.00 H new ATOM 0 HA CYS A 397 12.721 -6.996 -11.898 1.00 0.00 H new ATOM 0 HB2 CYS A 397 11.737 -6.636 -9.540 1.00 0.00 H new ATOM 0 HB3 CYS A 397 10.488 -7.792 -9.957 1.00 0.00 H new ATOM 0 HG CYS A 397 13.337 -8.496 -8.655 1.00 0.00 H new ATOM 927 N GLN A 398 12.168 -8.769 -13.381 1.00 0.00 N ATOM 928 CA GLN A 398 11.927 -9.862 -14.330 1.00 0.00 C ATOM 929 C GLN A 398 12.097 -11.252 -13.697 1.00 0.00 C ATOM 930 O GLN A 398 11.505 -12.218 -14.186 1.00 0.00 O ATOM 931 CB GLN A 398 12.818 -9.698 -15.575 1.00 0.00 C ATOM 932 CG GLN A 398 12.533 -8.386 -16.330 1.00 0.00 C ATOM 933 CD GLN A 398 13.322 -8.232 -17.633 1.00 0.00 C ATOM 934 OE1 GLN A 398 13.951 -9.148 -18.151 1.00 0.00 O ATOM 935 NE2 GLN A 398 13.322 -7.054 -18.224 1.00 0.00 N ATOM 0 H GLN A 398 13.129 -8.426 -13.390 1.00 0.00 H new ATOM 0 HA GLN A 398 10.883 -9.797 -14.636 1.00 0.00 H new ATOM 0 HB2 GLN A 398 13.866 -9.721 -15.275 1.00 0.00 H new ATOM 0 HB3 GLN A 398 12.660 -10.542 -16.246 1.00 0.00 H new ATOM 0 HG2 GLN A 398 11.468 -8.332 -16.554 1.00 0.00 H new ATOM 0 HG3 GLN A 398 12.764 -7.545 -15.676 1.00 0.00 H new ATOM 0 HE21 GLN A 398 12.806 -6.277 -17.812 1.00 0.00 H new ATOM 0 HE22 GLN A 398 13.838 -6.920 -19.093 1.00 0.00 H new ATOM 944 N ALA A 399 12.847 -11.367 -12.593 1.00 0.00 N ATOM 945 CA ALA A 399 12.976 -12.624 -11.859 1.00 0.00 C ATOM 946 C ALA A 399 11.726 -12.900 -11.020 1.00 0.00 C ATOM 947 O ALA A 399 11.179 -14.001 -11.080 1.00 0.00 O ATOM 948 CB ALA A 399 14.184 -12.582 -10.911 1.00 0.00 C ATOM 0 H ALA A 399 13.377 -10.594 -12.189 1.00 0.00 H new ATOM 0 HA ALA A 399 13.108 -13.413 -12.599 1.00 0.00 H new ATOM 0 HB1 ALA A 399 14.259 -13.528 -10.376 1.00 0.00 H new ATOM 0 HB2 ALA A 399 15.094 -12.418 -11.488 1.00 0.00 H new ATOM 0 HB3 ALA A 399 14.057 -11.770 -10.195 1.00 0.00 H new ATOM 954 N PRO A 400 11.316 -11.901 -10.229 1.00 0.00 N ATOM 955 CA PRO A 400 10.219 -11.901 -9.251 1.00 0.00 C ATOM 956 C PRO A 400 10.337 -12.967 -8.144 1.00 0.00 C ATOM 957 O PRO A 400 10.488 -12.648 -6.965 1.00 0.00 O ATOM 961 N LYS A 401 10.299 -14.242 -8.540 1.00 0.00 N ATOM 962 CA LYS A 401 10.443 -15.452 -7.706 1.00 0.00 C ATOM 963 C LYS A 401 11.910 -15.759 -7.392 1.00 0.00 C ATOM 964 O LYS A 401 12.279 -16.041 -6.254 1.00 0.00 O ATOM 965 CB LYS A 401 9.770 -16.630 -8.441 1.00 0.00 C ATOM 966 CG LYS A 401 9.463 -17.844 -7.547 1.00 0.00 C ATOM 967 CD LYS A 401 8.275 -17.593 -6.602 1.00 0.00 C ATOM 968 CE LYS A 401 7.895 -18.890 -5.877 1.00 0.00 C ATOM 969 NZ LYS A 401 6.644 -18.727 -5.094 1.00 0.00 N ATOM 0 H LYS A 401 10.157 -14.480 -9.522 1.00 0.00 H new ATOM 0 HA LYS A 401 9.955 -15.286 -6.745 1.00 0.00 H new ATOM 0 HB2 LYS A 401 8.840 -16.279 -8.889 1.00 0.00 H new ATOM 0 HB3 LYS A 401 10.417 -16.950 -9.258 1.00 0.00 H new ATOM 0 HG2 LYS A 401 9.248 -18.709 -8.175 1.00 0.00 H new ATOM 0 HG3 LYS A 401 10.346 -18.090 -6.958 1.00 0.00 H new ATOM 0 HD2 LYS A 401 8.535 -16.824 -5.875 1.00 0.00 H new ATOM 0 HD3 LYS A 401 7.422 -17.221 -7.169 1.00 0.00 H new ATOM 0 HE2 LYS A 401 7.769 -19.692 -6.605 1.00 0.00 H new ATOM 0 HE3 LYS A 401 8.706 -19.188 -5.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 6.369 -19.643 -4.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 6.800 -18.039 -4.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 5.886 -18.385 -5.718 1.00 0.00 H new ATOM 983 N ALA A 402 12.744 -15.671 -8.431 1.00 0.00 N ATOM 984 CA ALA A 402 14.191 -15.893 -8.416 1.00 0.00 C ATOM 985 C ALA A 402 14.976 -14.707 -7.817 1.00 0.00 C ATOM 986 O ALA A 402 16.181 -14.820 -7.587 1.00 0.00 O ATOM 987 CB ALA A 402 14.654 -16.277 -9.830 1.00 0.00 C ATOM 0 H ALA A 402 12.406 -15.428 -9.362 1.00 0.00 H new ATOM 0 HA ALA A 402 14.412 -16.723 -7.745 1.00 0.00 H new ATOM 0 HB1 ALA A 402 15.731 -16.444 -9.827 1.00 0.00 H new ATOM 0 HB2 ALA A 402 14.146 -17.189 -10.144 1.00 0.00 H new ATOM 0 HB3 ALA A 402 14.414 -15.471 -10.523 1.00 0.00 H new ATOM 993 N CYS A 403 14.309 -13.567 -7.574 1.00 0.00 N ATOM 994 CA CYS A 403 14.854 -12.339 -7.008 1.00 0.00 C ATOM 995 C CYS A 403 14.978 -12.443 -5.487 1.00 0.00 C ATOM 996 O CYS A 403 14.485 -11.615 -4.725 1.00 0.00 O ATOM 997 CB CYS A 403 14.075 -11.094 -7.398 1.00 0.00 C ATOM 998 SG CYS A 403 15.172 -9.648 -7.216 1.00 0.00 S ATOM 0 H CYS A 403 13.314 -13.481 -7.783 1.00 0.00 H new ATOM 0 HA CYS A 403 15.849 -12.227 -7.440 1.00 0.00 H new ATOM 0 HB2 CYS A 403 13.721 -11.175 -8.426 1.00 0.00 H new ATOM 0 HB3 CYS A 403 13.194 -10.984 -6.765 1.00 0.00 H new ATOM 0 HG CYS A 403 15.300 -9.053 -8.365 1.00 0.00 H new ATOM 1003 N GLN A 404 15.623 -13.529 -5.085 1.00 0.00 N ATOM 1004 CA GLN A 404 16.037 -13.959 -3.742 1.00 0.00 C ATOM 1005 C GLN A 404 16.540 -12.829 -2.815 1.00 0.00 C ATOM 1006 O GLN A 404 16.701 -13.074 -1.616 1.00 0.00 O ATOM 1007 CB GLN A 404 17.075 -15.090 -3.853 1.00 0.00 C ATOM 1008 CG GLN A 404 16.457 -16.404 -4.363 1.00 0.00 C ATOM 1009 CD GLN A 404 17.446 -17.571 -4.375 1.00 0.00 C ATOM 1010 OE1 GLN A 404 18.660 -17.420 -4.443 1.00 0.00 O ATOM 1011 NE2 GLN A 404 16.966 -18.797 -4.302 1.00 0.00 N ATOM 0 H GLN A 404 15.908 -14.223 -5.777 1.00 0.00 H new ATOM 0 HA GLN A 404 15.132 -14.323 -3.255 1.00 0.00 H new ATOM 0 HB2 GLN A 404 17.874 -14.782 -4.527 1.00 0.00 H new ATOM 0 HB3 GLN A 404 17.529 -15.260 -2.877 1.00 0.00 H new ATOM 0 HG2 GLN A 404 15.605 -16.665 -3.735 1.00 0.00 H new ATOM 0 HG3 GLN A 404 16.074 -16.250 -5.372 1.00 0.00 H new ATOM 0 HE21 GLN A 404 15.959 -18.948 -4.245 1.00 0.00 H new ATOM 0 HE22 GLN A 404 17.602 -19.595 -4.303 1.00 0.00 H new ATOM 1020 N VAL A 405 16.759 -11.605 -3.327 1.00 0.00 N ATOM 1021 CA VAL A 405 17.066 -10.411 -2.516 1.00 0.00 C ATOM 1022 C VAL A 405 15.969 -10.299 -1.451 1.00 0.00 C ATOM 1023 O VAL A 405 14.794 -10.198 -1.801 1.00 0.00 O ATOM 1024 CB VAL A 405 17.077 -9.128 -3.373 1.00 0.00 C ATOM 1025 CG1 VAL A 405 17.548 -7.931 -2.539 1.00 0.00 C ATOM 1026 CG2 VAL A 405 18.000 -9.245 -4.588 1.00 0.00 C ATOM 0 H VAL A 405 16.728 -11.414 -4.328 1.00 0.00 H new ATOM 0 HA VAL A 405 18.056 -10.514 -2.073 1.00 0.00 H new ATOM 0 HB VAL A 405 16.054 -8.984 -3.719 1.00 0.00 H new ATOM 0 HG11 VAL A 405 17.550 -7.034 -3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 405 16.873 -7.788 -1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 405 18.556 -8.119 -2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 405 17.971 -8.316 -5.157 1.00 0.00 H new ATOM 0 HG22 VAL A 405 19.020 -9.434 -4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 405 17.667 -10.068 -5.220 1.00 0.00 H new ATOM 1036 N ALA A 406 16.332 -10.375 -0.168 1.00 0.00 N ATOM 1037 CA ALA A 406 15.405 -10.438 0.969 1.00 0.00 C ATOM 1038 C ALA A 406 14.116 -9.611 0.826 1.00 0.00 C ATOM 1039 O ALA A 406 13.008 -10.160 0.871 1.00 0.00 O ATOM 1040 CB ALA A 406 16.179 -10.049 2.232 1.00 0.00 C ATOM 0 H ALA A 406 17.311 -10.395 0.119 1.00 0.00 H new ATOM 0 HA ALA A 406 15.038 -11.463 1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 406 15.512 -10.088 3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 406 17.005 -10.744 2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 406 16.571 -9.038 2.122 1.00 0.00 H new ATOM 1046 N HIS A 407 14.267 -8.299 0.634 1.00 0.00 N ATOM 1047 CA HIS A 407 13.142 -7.378 0.499 1.00 0.00 C ATOM 1048 C HIS A 407 12.243 -7.679 -0.710 1.00 0.00 C ATOM 1049 O HIS A 407 11.025 -7.707 -0.540 1.00 0.00 O ATOM 1050 CB HIS A 407 13.635 -5.919 0.524 1.00 0.00 C ATOM 1051 CG HIS A 407 14.663 -5.527 -0.516 1.00 0.00 C ATOM 1052 ND1 HIS A 407 15.995 -5.263 -0.274 1.00 0.00 N ATOM 1053 CD2 HIS A 407 14.435 -5.239 -1.836 1.00 0.00 C ATOM 1054 CE1 HIS A 407 16.554 -4.834 -1.419 1.00 0.00 C ATOM 1055 NE2 HIS A 407 15.641 -4.811 -2.405 1.00 0.00 N ATOM 0 H HIS A 407 15.178 -7.846 0.568 1.00 0.00 H new ATOM 0 HA HIS A 407 12.497 -7.532 1.364 1.00 0.00 H new ATOM 0 HB2 HIS A 407 12.770 -5.266 0.409 1.00 0.00 H new ATOM 0 HB3 HIS A 407 14.056 -5.720 1.509 1.00 0.00 H new ATOM 0 HD2 HIS A 407 13.489 -5.327 -2.349 1.00 0.00 H new ATOM 0 HE1 HIS A 407 17.590 -4.548 -1.531 1.00 0.00 H new ATOM 0 HE2 HIS A 407 15.796 -4.536 -3.375 1.00 0.00 H new ATOM 1063 N CYS A 408 12.802 -7.942 -1.899 1.00 0.00 N ATOM 1064 CA CYS A 408 12.009 -8.219 -3.105 1.00 0.00 C ATOM 1065 C CYS A 408 11.361 -9.614 -3.073 1.00 0.00 C ATOM 1066 O CYS A 408 10.149 -9.716 -3.284 1.00 0.00 O ATOM 1067 CB CYS A 408 12.905 -8.042 -4.343 1.00 0.00 C ATOM 1068 SG CYS A 408 11.981 -8.339 -5.890 1.00 0.00 S ATOM 0 H CYS A 408 13.810 -7.969 -2.052 1.00 0.00 H new ATOM 0 HA CYS A 408 11.184 -7.508 -3.148 1.00 0.00 H new ATOM 0 HB2 CYS A 408 13.318 -7.033 -4.353 1.00 0.00 H new ATOM 0 HB3 CYS A 408 13.748 -8.731 -4.284 1.00 0.00 H new ATOM 0 HG CYS A 408 12.781 -8.839 -6.784 1.00 0.00 H new ATOM 1073 N ALA A 409 12.115 -10.672 -2.754 1.00 0.00 N ATOM 1074 CA ALA A 409 11.570 -12.026 -2.638 1.00 0.00 C ATOM 1075 C ALA A 409 10.419 -12.061 -1.616 1.00 0.00 C ATOM 1076 O ALA A 409 9.347 -12.602 -1.914 1.00 0.00 O ATOM 1077 CB ALA A 409 12.687 -13.024 -2.300 1.00 0.00 C ATOM 0 H ALA A 409 13.116 -10.613 -2.570 1.00 0.00 H new ATOM 0 HA ALA A 409 11.150 -12.327 -3.598 1.00 0.00 H new ATOM 0 HB1 ALA A 409 12.267 -14.026 -2.217 1.00 0.00 H new ATOM 0 HB2 ALA A 409 13.439 -13.010 -3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 409 13.150 -12.745 -1.353 1.00 0.00 H new ATOM 1083 N SER A 410 10.591 -11.421 -0.446 1.00 0.00 N ATOM 1084 CA SER A 410 9.504 -11.315 0.537 1.00 0.00 C ATOM 1085 C SER A 410 8.327 -10.534 -0.052 1.00 0.00 C ATOM 1086 O SER A 410 7.203 -11.032 -0.025 1.00 0.00 O ATOM 1087 CB SER A 410 9.959 -10.655 1.845 1.00 0.00 C ATOM 1088 OG SER A 410 10.983 -11.413 2.464 1.00 0.00 O ATOM 0 H SER A 410 11.463 -10.975 -0.162 1.00 0.00 H new ATOM 0 HA SER A 410 9.191 -12.332 0.773 1.00 0.00 H new ATOM 0 HB2 SER A 410 10.320 -9.647 1.642 1.00 0.00 H new ATOM 0 HB3 SER A 410 9.111 -10.560 2.523 1.00 0.00 H new ATOM 0 HG SER A 410 11.848 -11.180 2.067 1.00 0.00 H new ATOM 1094 N SER A 411 8.569 -9.350 -0.635 1.00 0.00 N ATOM 1095 CA SER A 411 7.526 -8.513 -1.250 1.00 0.00 C ATOM 1096 C SER A 411 6.653 -9.293 -2.236 1.00 0.00 C ATOM 1097 O SER A 411 5.423 -9.251 -2.157 1.00 0.00 O ATOM 1098 CB SER A 411 8.140 -7.260 -1.919 1.00 0.00 C ATOM 1099 OG SER A 411 8.591 -7.461 -3.241 1.00 0.00 O ATOM 0 H SER A 411 9.502 -8.943 -0.694 1.00 0.00 H new ATOM 0 HA SER A 411 6.871 -8.184 -0.443 1.00 0.00 H new ATOM 0 HB2 SER A 411 7.396 -6.464 -1.920 1.00 0.00 H new ATOM 0 HB3 SER A 411 8.977 -6.914 -1.312 1.00 0.00 H new ATOM 0 HG SER A 411 9.152 -8.264 -3.277 1.00 0.00 H new ATOM 1105 N ARG A 412 7.279 -10.054 -3.142 1.00 0.00 N ATOM 1106 CA ARG A 412 6.578 -10.860 -4.137 1.00 0.00 C ATOM 1107 C ARG A 412 5.832 -12.020 -3.492 1.00 0.00 C ATOM 1108 O ARG A 412 4.717 -12.286 -3.922 1.00 0.00 O ATOM 1109 CB ARG A 412 7.559 -11.322 -5.224 1.00 0.00 C ATOM 1110 CG ARG A 412 7.751 -10.245 -6.310 1.00 0.00 C ATOM 1111 CD ARG A 412 6.657 -10.309 -7.388 1.00 0.00 C ATOM 1112 NE ARG A 412 7.025 -9.514 -8.580 1.00 0.00 N ATOM 1113 CZ ARG A 412 7.068 -9.918 -9.839 1.00 0.00 C ATOM 1114 NH1 ARG A 412 6.678 -11.101 -10.221 1.00 0.00 N ATOM 1115 NH2 ARG A 412 7.524 -9.119 -10.754 1.00 0.00 N ATOM 0 H ARG A 412 8.295 -10.125 -3.202 1.00 0.00 H new ATOM 0 HA ARG A 412 5.818 -10.243 -4.617 1.00 0.00 H new ATOM 0 HB2 ARG A 412 8.522 -11.557 -4.770 1.00 0.00 H new ATOM 0 HB3 ARG A 412 7.190 -12.240 -5.682 1.00 0.00 H new ATOM 0 HG2 ARG A 412 7.745 -9.258 -5.847 1.00 0.00 H new ATOM 0 HG3 ARG A 412 8.728 -10.372 -6.777 1.00 0.00 H new ATOM 0 HD2 ARG A 412 6.491 -11.346 -7.678 1.00 0.00 H new ATOM 0 HD3 ARG A 412 5.718 -9.938 -6.978 1.00 0.00 H new ATOM 0 HE ARG A 412 7.275 -8.540 -8.411 1.00 0.00 H new ATOM 0 HH11 ARG A 412 6.318 -11.765 -9.536 1.00 0.00 H new ATOM 0 HH12 ARG A 412 6.732 -11.363 -11.205 1.00 0.00 H new ATOM 0 HH21 ARG A 412 7.847 -8.185 -10.501 1.00 0.00 H new ATOM 0 HH22 ARG A 412 7.560 -9.425 -11.726 1.00 0.00 H new ATOM 1129 N GLN A 413 6.372 -12.670 -2.455 1.00 0.00 N ATOM 1130 CA GLN A 413 5.656 -13.735 -1.731 1.00 0.00 C ATOM 1131 C GLN A 413 4.356 -13.211 -1.080 1.00 0.00 C ATOM 1132 O GLN A 413 3.290 -13.800 -1.286 1.00 0.00 O ATOM 1133 CB GLN A 413 6.580 -14.393 -0.689 1.00 0.00 C ATOM 1134 CG GLN A 413 7.614 -15.347 -1.313 1.00 0.00 C ATOM 1135 CD GLN A 413 6.998 -16.661 -1.787 1.00 0.00 C ATOM 1136 OE1 GLN A 413 6.699 -16.857 -2.958 1.00 0.00 O ATOM 1137 NE2 GLN A 413 6.784 -17.616 -0.907 1.00 0.00 N ATOM 0 H GLN A 413 7.307 -12.478 -2.094 1.00 0.00 H new ATOM 0 HA GLN A 413 5.363 -14.494 -2.456 1.00 0.00 H new ATOM 0 HB2 GLN A 413 7.102 -13.615 -0.133 1.00 0.00 H new ATOM 0 HB3 GLN A 413 5.973 -14.945 0.029 1.00 0.00 H new ATOM 0 HG2 GLN A 413 8.095 -14.852 -2.156 1.00 0.00 H new ATOM 0 HG3 GLN A 413 8.393 -15.560 -0.581 1.00 0.00 H new ATOM 0 HE21 GLN A 413 7.027 -17.470 0.073 1.00 0.00 H new ATOM 0 HE22 GLN A 413 6.375 -18.502 -1.205 1.00 0.00 H new ATOM 1146 N ILE A 414 4.396 -12.077 -0.362 1.00 0.00 N ATOM 1147 CA ILE A 414 3.175 -11.466 0.199 1.00 0.00 C ATOM 1148 C ILE A 414 2.149 -10.981 -0.819 1.00 0.00 C ATOM 1149 O ILE A 414 0.952 -11.260 -0.695 1.00 0.00 O ATOM 1150 CB ILE A 414 3.419 -10.431 1.321 1.00 0.00 C ATOM 1151 CG1 ILE A 414 4.708 -9.589 1.369 1.00 0.00 C ATOM 1152 CG2 ILE A 414 2.898 -10.992 2.648 1.00 0.00 C ATOM 1153 CD1 ILE A 414 5.741 -10.105 2.381 1.00 0.00 C ATOM 0 H ILE A 414 5.254 -11.565 -0.156 1.00 0.00 H new ATOM 0 HA ILE A 414 2.708 -12.325 0.681 1.00 0.00 H new ATOM 0 HB ILE A 414 2.823 -9.570 1.019 1.00 0.00 H new ATOM 0 HG12 ILE A 414 5.159 -9.574 0.377 1.00 0.00 H new ATOM 0 HG13 ILE A 414 4.451 -8.559 1.618 1.00 0.00 H new ATOM 0 HG21 ILE A 414 3.068 -10.265 3.442 1.00 0.00 H new ATOM 0 HG22 ILE A 414 1.830 -11.194 2.563 1.00 0.00 H new ATOM 0 HG23 ILE A 414 3.424 -11.917 2.884 1.00 0.00 H new ATOM 0 HD11 ILE A 414 6.622 -9.464 2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 414 5.308 -10.094 3.381 1.00 0.00 H new ATOM 0 HD13 ILE A 414 6.027 -11.124 2.121 1.00 0.00 H new ATOM 1165 N ILE A 415 2.602 -10.289 -1.855 1.00 0.00 N ATOM 1166 CA ILE A 415 1.691 -9.844 -2.914 1.00 0.00 C ATOM 1167 C ILE A 415 1.156 -11.037 -3.727 1.00 0.00 C ATOM 1168 O ILE A 415 0.009 -11.007 -4.165 1.00 0.00 O ATOM 1169 CB ILE A 415 2.357 -8.692 -3.681 1.00 0.00 C ATOM 1170 CG1 ILE A 415 1.898 -7.367 -3.015 1.00 0.00 C ATOM 1171 CG2 ILE A 415 2.108 -8.758 -5.191 1.00 0.00 C ATOM 1172 CD1 ILE A 415 2.349 -6.079 -3.710 1.00 0.00 C ATOM 0 H ILE A 415 3.578 -10.024 -1.989 1.00 0.00 H new ATOM 0 HA ILE A 415 0.770 -9.417 -2.517 1.00 0.00 H new ATOM 0 HB ILE A 415 3.442 -8.765 -3.611 1.00 0.00 H new ATOM 0 HG12 ILE A 415 0.809 -7.367 -2.963 1.00 0.00 H new ATOM 0 HG13 ILE A 415 2.266 -7.352 -1.989 1.00 0.00 H new ATOM 0 HG21 ILE A 415 2.603 -7.918 -5.678 1.00 0.00 H new ATOM 0 HG22 ILE A 415 2.507 -9.693 -5.585 1.00 0.00 H new ATOM 0 HG23 ILE A 415 1.037 -8.710 -5.386 1.00 0.00 H new ATOM 0 HD11 ILE A 415 1.972 -5.217 -3.159 1.00 0.00 H new ATOM 0 HD12 ILE A 415 3.438 -6.043 -3.739 1.00 0.00 H new ATOM 0 HD13 ILE A 415 1.958 -6.059 -4.727 1.00 0.00 H new ATOM 1184 N SER A 416 1.917 -12.129 -3.850 1.00 0.00 N ATOM 1185 CA SER A 416 1.466 -13.375 -4.482 1.00 0.00 C ATOM 1186 C SER A 416 0.365 -14.003 -3.624 1.00 0.00 C ATOM 1187 O SER A 416 -0.621 -14.474 -4.192 1.00 0.00 O ATOM 1188 CB SER A 416 2.607 -14.385 -4.641 1.00 0.00 C ATOM 1189 OG SER A 416 3.249 -14.194 -5.888 1.00 0.00 O ATOM 0 H SER A 416 2.877 -12.174 -3.509 1.00 0.00 H new ATOM 0 HA SER A 416 1.093 -13.128 -5.476 1.00 0.00 H new ATOM 0 HB2 SER A 416 3.326 -14.266 -3.830 1.00 0.00 H new ATOM 0 HB3 SER A 416 2.217 -15.401 -4.575 1.00 0.00 H new ATOM 0 HG SER A 416 3.961 -13.528 -5.791 1.00 0.00 H new ATOM 1195 N HIS A 417 0.467 -13.964 -2.282 1.00 0.00 N ATOM 1196 CA HIS A 417 -0.644 -14.391 -1.420 1.00 0.00 C ATOM 1197 C HIS A 417 -1.878 -13.541 -1.762 1.00 0.00 C ATOM 1198 O HIS A 417 -2.930 -14.098 -2.074 1.00 0.00 O ATOM 1199 CB HIS A 417 -0.324 -14.296 0.093 1.00 0.00 C ATOM 1200 CG HIS A 417 -1.585 -14.331 0.942 1.00 0.00 C ATOM 1201 ND1 HIS A 417 -2.323 -15.456 1.239 1.00 0.00 N ATOM 1202 CD2 HIS A 417 -2.390 -13.251 1.219 1.00 0.00 C ATOM 1203 CE1 HIS A 417 -3.554 -15.068 1.616 1.00 0.00 C ATOM 1204 NE2 HIS A 417 -3.655 -13.728 1.585 1.00 0.00 N ATOM 0 H HIS A 417 1.296 -13.646 -1.780 1.00 0.00 H new ATOM 0 HA HIS A 417 -0.830 -15.447 -1.615 1.00 0.00 H new ATOM 0 HB2 HIS A 417 0.329 -15.121 0.379 1.00 0.00 H new ATOM 0 HB3 HIS A 417 0.222 -13.374 0.292 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -2.097 -12.213 1.164 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -4.350 -15.739 1.903 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -4.485 -13.171 1.787 1.00 0.00 H new ATOM 1212 N TRP A 418 -1.754 -12.206 -1.744 1.00 0.00 N ATOM 1213 CA TRP A 418 -2.882 -11.307 -2.036 1.00 0.00 C ATOM 1214 C TRP A 418 -3.520 -11.559 -3.415 1.00 0.00 C ATOM 1215 O TRP A 418 -4.742 -11.459 -3.559 1.00 0.00 O ATOM 1216 CB TRP A 418 -2.453 -9.846 -1.856 1.00 0.00 C ATOM 1217 CG TRP A 418 -3.556 -8.902 -1.466 1.00 0.00 C ATOM 1218 CD1 TRP A 418 -4.281 -8.982 -0.326 1.00 0.00 C ATOM 1219 CD2 TRP A 418 -4.056 -7.718 -2.167 1.00 0.00 C ATOM 1220 NE1 TRP A 418 -5.186 -7.940 -0.269 1.00 0.00 N ATOM 1221 CE2 TRP A 418 -5.073 -7.112 -1.365 1.00 0.00 C ATOM 1222 CE3 TRP A 418 -3.736 -7.076 -3.385 1.00 0.00 C ATOM 1223 CZ2 TRP A 418 -5.717 -5.922 -1.734 1.00 0.00 C ATOM 1224 CZ3 TRP A 418 -4.377 -5.880 -3.765 1.00 0.00 C ATOM 1225 CH2 TRP A 418 -5.354 -5.295 -2.940 1.00 0.00 C ATOM 0 H TRP A 418 -0.882 -11.723 -1.530 1.00 0.00 H new ATOM 0 HA TRP A 418 -3.669 -11.529 -1.315 1.00 0.00 H new ATOM 0 HB2 TRP A 418 -1.673 -9.803 -1.096 1.00 0.00 H new ATOM 0 HB3 TRP A 418 -2.009 -9.496 -2.788 1.00 0.00 H new ATOM 0 HD1 TRP A 418 -4.169 -9.747 0.428 1.00 0.00 H new ATOM 0 HE1 TRP A 418 -5.854 -7.801 0.489 1.00 0.00 H new ATOM 0 HE3 TRP A 418 -2.989 -7.509 -4.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 418 -6.480 -5.493 -1.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 418 -4.115 -5.407 -4.700 1.00 0.00 H new ATOM 0 HH2 TRP A 418 -5.824 -4.367 -3.231 1.00 0.00 H new ATOM 1236 N LYS A 419 -2.714 -11.930 -4.423 1.00 0.00 N ATOM 1237 CA LYS A 419 -3.189 -12.284 -5.774 1.00 0.00 C ATOM 1238 C LYS A 419 -3.934 -13.631 -5.810 1.00 0.00 C ATOM 1239 O LYS A 419 -4.970 -13.739 -6.467 1.00 0.00 O ATOM 1240 CB LYS A 419 -1.991 -12.329 -6.741 1.00 0.00 C ATOM 1241 CG LYS A 419 -1.472 -10.932 -7.120 1.00 0.00 C ATOM 1242 CD LYS A 419 -0.101 -11.036 -7.810 1.00 0.00 C ATOM 1243 CE LYS A 419 0.458 -9.677 -8.249 1.00 0.00 C ATOM 1244 NZ LYS A 419 -0.351 -9.039 -9.323 1.00 0.00 N ATOM 0 H LYS A 419 -1.701 -11.994 -4.323 1.00 0.00 H new ATOM 0 HA LYS A 419 -3.900 -11.517 -6.080 1.00 0.00 H new ATOM 0 HB2 LYS A 419 -1.183 -12.899 -6.283 1.00 0.00 H new ATOM 0 HB3 LYS A 419 -2.282 -12.861 -7.647 1.00 0.00 H new ATOM 0 HG2 LYS A 419 -2.184 -10.441 -7.784 1.00 0.00 H new ATOM 0 HG3 LYS A 419 -1.390 -10.313 -6.226 1.00 0.00 H new ATOM 0 HD2 LYS A 419 0.606 -11.510 -7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 419 -0.188 -11.685 -8.682 1.00 0.00 H new ATOM 0 HE2 LYS A 419 0.499 -9.011 -7.387 1.00 0.00 H new ATOM 0 HE3 LYS A 419 1.482 -9.807 -8.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 419 0.091 -8.141 -9.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 419 -0.398 -9.674 -10.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 419 -1.313 -8.856 -8.971 1.00 0.00 H new ATOM 1258 N ASN A 420 -3.405 -14.659 -5.139 1.00 0.00 N ATOM 1259 CA ASN A 420 -3.961 -16.020 -5.115 1.00 0.00 C ATOM 1260 C ASN A 420 -5.147 -16.249 -4.154 1.00 0.00 C ATOM 1261 O ASN A 420 -5.965 -17.134 -4.416 1.00 0.00 O ATOM 1262 CB ASN A 420 -2.829 -17.019 -4.805 1.00 0.00 C ATOM 1263 CG ASN A 420 -1.936 -17.273 -6.009 1.00 0.00 C ATOM 1264 OD1 ASN A 420 -2.202 -18.131 -6.840 1.00 0.00 O ATOM 1265 ND2 ASN A 420 -0.860 -16.536 -6.154 1.00 0.00 N ATOM 0 H ASN A 420 -2.555 -14.567 -4.582 1.00 0.00 H new ATOM 0 HA ASN A 420 -4.384 -16.179 -6.107 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -2.225 -16.636 -3.982 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -3.261 -17.962 -4.471 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -0.248 -16.679 -6.958 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -0.635 -15.820 -5.463 1.00 0.00 H new ATOM 1272 N CYS A 421 -5.226 -15.516 -3.039 1.00 0.00 N ATOM 1273 CA CYS A 421 -6.236 -15.675 -1.991 1.00 0.00 C ATOM 1274 C CYS A 421 -7.687 -15.567 -2.508 1.00 0.00 C ATOM 1275 O CYS A 421 -8.166 -14.490 -2.875 1.00 0.00 O ATOM 1276 CB CYS A 421 -5.930 -14.682 -0.862 1.00 0.00 C ATOM 1277 SG CYS A 421 -6.784 -15.154 0.674 1.00 0.00 S ATOM 0 H CYS A 421 -4.563 -14.768 -2.835 1.00 0.00 H new ATOM 0 HA CYS A 421 -6.174 -16.692 -1.603 1.00 0.00 H new ATOM 0 HB2 CYS A 421 -4.855 -14.645 -0.687 1.00 0.00 H new ATOM 0 HB3 CYS A 421 -6.239 -13.680 -1.161 1.00 0.00 H new ATOM 0 HG CYS A 421 -7.856 -14.432 0.814 1.00 0.00 H new ATOM 1282 N THR A 422 -8.385 -16.705 -2.542 1.00 0.00 N ATOM 1283 CA THR A 422 -9.787 -16.817 -2.982 1.00 0.00 C ATOM 1284 C THR A 422 -10.788 -16.361 -1.914 1.00 0.00 C ATOM 1285 O THR A 422 -11.931 -16.028 -2.244 1.00 0.00 O ATOM 1286 CB THR A 422 -10.128 -18.269 -3.363 1.00 0.00 C ATOM 1287 OG1 THR A 422 -9.803 -19.143 -2.299 1.00 0.00 O ATOM 1288 CG2 THR A 422 -9.360 -18.739 -4.601 1.00 0.00 C ATOM 0 H THR A 422 -7.985 -17.599 -2.258 1.00 0.00 H new ATOM 0 HA THR A 422 -9.876 -16.159 -3.846 1.00 0.00 H new ATOM 0 HB THR A 422 -11.197 -18.290 -3.577 1.00 0.00 H new ATOM 0 HG1 THR A 422 -10.026 -20.063 -2.552 1.00 0.00 H new ATOM 0 HG21 THR A 422 -9.634 -19.769 -4.830 1.00 0.00 H new ATOM 0 HG22 THR A 422 -9.609 -18.100 -5.448 1.00 0.00 H new ATOM 0 HG23 THR A 422 -8.289 -18.683 -4.407 1.00 0.00 H new ATOM 1296 N ARG A 423 -10.384 -16.334 -0.634 1.00 0.00 N ATOM 1297 CA ARG A 423 -11.232 -15.928 0.498 1.00 0.00 C ATOM 1298 C ARG A 423 -11.479 -14.420 0.543 1.00 0.00 C ATOM 1299 O ARG A 423 -10.552 -13.610 0.575 1.00 0.00 O ATOM 1300 CB ARG A 423 -10.616 -16.375 1.835 1.00 0.00 C ATOM 1301 CG ARG A 423 -10.738 -17.891 2.056 1.00 0.00 C ATOM 1302 CD ARG A 423 -10.428 -18.284 3.506 1.00 0.00 C ATOM 1303 NE ARG A 423 -11.485 -17.836 4.440 1.00 0.00 N ATOM 1304 CZ ARG A 423 -11.819 -18.378 5.595 1.00 0.00 C ATOM 1305 NH1 ARG A 423 -11.197 -19.409 6.096 1.00 0.00 N ATOM 1306 NH2 ARG A 423 -12.809 -17.881 6.276 1.00 0.00 N ATOM 0 H ARG A 423 -9.440 -16.599 -0.352 1.00 0.00 H new ATOM 0 HA ARG A 423 -12.191 -16.422 0.346 1.00 0.00 H new ATOM 0 HB2 ARG A 423 -9.564 -16.090 1.861 1.00 0.00 H new ATOM 0 HB3 ARG A 423 -11.109 -15.850 2.653 1.00 0.00 H new ATOM 0 HG2 ARG A 423 -11.747 -18.215 1.800 1.00 0.00 H new ATOM 0 HG3 ARG A 423 -10.055 -18.412 1.385 1.00 0.00 H new ATOM 0 HD2 ARG A 423 -10.320 -19.367 3.573 1.00 0.00 H new ATOM 0 HD3 ARG A 423 -9.474 -17.849 3.803 1.00 0.00 H new ATOM 0 HE ARG A 423 -12.017 -17.013 4.158 1.00 0.00 H new ATOM 0 HH11 ARG A 423 -10.417 -19.829 5.590 1.00 0.00 H new ATOM 0 HH12 ARG A 423 -11.490 -19.795 6.993 1.00 0.00 H new ATOM 0 HH21 ARG A 423 -13.322 -17.076 5.916 1.00 0.00 H new ATOM 0 HH22 ARG A 423 -13.072 -18.296 7.170 1.00 0.00 H new ATOM 1320 N HIS A 424 -12.755 -14.055 0.624 1.00 0.00 N ATOM 1321 CA HIS A 424 -13.232 -12.687 0.800 1.00 0.00 C ATOM 1322 C HIS A 424 -13.048 -12.170 2.246 1.00 0.00 C ATOM 1323 O HIS A 424 -13.297 -10.996 2.512 1.00 0.00 O ATOM 1324 CB HIS A 424 -14.704 -12.604 0.359 1.00 0.00 C ATOM 1325 CG HIS A 424 -15.664 -13.359 1.249 1.00 0.00 C ATOM 1326 ND1 HIS A 424 -16.275 -12.870 2.383 1.00 0.00 N ATOM 1327 CD2 HIS A 424 -16.100 -14.647 1.083 1.00 0.00 C ATOM 1328 CE1 HIS A 424 -17.049 -13.841 2.898 1.00 0.00 C ATOM 1329 NE2 HIS A 424 -16.978 -14.948 2.134 1.00 0.00 N ATOM 0 H HIS A 424 -13.516 -14.732 0.566 1.00 0.00 H new ATOM 0 HA HIS A 424 -12.625 -12.034 0.173 1.00 0.00 H new ATOM 0 HB2 HIS A 424 -15.003 -11.556 0.328 1.00 0.00 H new ATOM 0 HB3 HIS A 424 -14.789 -12.990 -0.657 1.00 0.00 H new ATOM 0 HD2 HIS A 424 -15.817 -15.314 0.282 1.00 0.00 H new ATOM 0 HE1 HIS A 424 -17.642 -13.747 3.795 1.00 0.00 H new ATOM 0 HE2 HIS A 424 -17.466 -15.830 2.289 1.00 0.00 H new ATOM 1337 N ASP A 425 -12.687 -13.054 3.186 1.00 0.00 N ATOM 1338 CA ASP A 425 -12.614 -12.853 4.637 1.00 0.00 C ATOM 1339 C ASP A 425 -11.323 -13.395 5.289 1.00 0.00 C ATOM 1340 O ASP A 425 -11.343 -13.954 6.390 1.00 0.00 O ATOM 1341 CB ASP A 425 -13.879 -13.464 5.268 1.00 0.00 C ATOM 1342 CG ASP A 425 -13.924 -15.006 5.202 1.00 0.00 C ATOM 1343 OD1 ASP A 425 -13.267 -15.636 4.338 1.00 0.00 O ATOM 1344 OD2 ASP A 425 -14.596 -15.630 6.055 1.00 0.00 O ATOM 0 H ASP A 425 -12.417 -14.004 2.929 1.00 0.00 H new ATOM 0 HA ASP A 425 -12.571 -11.781 4.828 1.00 0.00 H new ATOM 0 HB2 ASP A 425 -13.941 -13.152 6.311 1.00 0.00 H new ATOM 0 HB3 ASP A 425 -14.757 -13.062 4.762 1.00 0.00 H new ATOM 1349 N CYS A 426 -10.185 -13.203 4.618 1.00 0.00 N ATOM 1350 CA CYS A 426 -8.866 -13.628 5.115 1.00 0.00 C ATOM 1351 C CYS A 426 -8.334 -12.612 6.167 1.00 0.00 C ATOM 1352 O CYS A 426 -8.645 -11.421 6.057 1.00 0.00 O ATOM 1353 CB CYS A 426 -7.987 -13.978 3.897 1.00 0.00 C ATOM 1354 SG CYS A 426 -6.207 -13.694 4.143 1.00 0.00 S ATOM 0 H CYS A 426 -10.148 -12.745 3.707 1.00 0.00 H new ATOM 0 HA CYS A 426 -8.886 -14.549 5.697 1.00 0.00 H new ATOM 0 HB2 CYS A 426 -8.143 -15.026 3.642 1.00 0.00 H new ATOM 0 HB3 CYS A 426 -8.321 -13.389 3.043 1.00 0.00 H new ATOM 0 HG CYS A 426 -5.779 -12.836 3.265 1.00 0.00 H new ATOM 1359 N PRO A 427 -7.570 -13.045 7.198 1.00 0.00 N ATOM 1360 CA PRO A 427 -7.059 -12.223 8.314 1.00 0.00 C ATOM 1361 C PRO A 427 -6.301 -10.937 7.957 1.00 0.00 C ATOM 1362 O PRO A 427 -6.050 -10.109 8.834 1.00 0.00 O ATOM 1363 CB PRO A 427 -6.131 -13.140 9.121 1.00 0.00 C ATOM 1364 CG PRO A 427 -6.638 -14.542 8.815 1.00 0.00 C ATOM 1365 CD PRO A 427 -7.135 -14.420 7.379 1.00 0.00 C ATOM 0 HA PRO A 427 -7.934 -11.855 8.851 1.00 0.00 H new ATOM 0 HB2 PRO A 427 -5.090 -13.018 8.821 1.00 0.00 H new ATOM 0 HB3 PRO A 427 -6.183 -12.921 10.188 1.00 0.00 H new ATOM 0 HG2 PRO A 427 -5.847 -15.286 8.907 1.00 0.00 H new ATOM 0 HG3 PRO A 427 -7.436 -14.840 9.495 1.00 0.00 H new ATOM 0 HD2 PRO A 427 -6.343 -14.670 6.674 1.00 0.00 H new ATOM 0 HD3 PRO A 427 -7.956 -15.112 7.195 1.00 0.00 H new ATOM 1373 N VAL A 428 -5.917 -10.780 6.691 1.00 0.00 N ATOM 1374 CA VAL A 428 -5.158 -9.648 6.140 1.00 0.00 C ATOM 1375 C VAL A 428 -5.893 -9.032 4.937 1.00 0.00 C ATOM 1376 O VAL A 428 -6.003 -7.805 4.806 1.00 0.00 O ATOM 1377 CB VAL A 428 -3.767 -10.158 5.733 1.00 0.00 C ATOM 1378 CG1 VAL A 428 -2.926 -8.977 5.238 1.00 0.00 C ATOM 1379 CG2 VAL A 428 -3.026 -10.844 6.886 1.00 0.00 C ATOM 0 H VAL A 428 -6.137 -11.476 5.979 1.00 0.00 H new ATOM 0 HA VAL A 428 -5.059 -8.864 6.891 1.00 0.00 H new ATOM 0 HB VAL A 428 -3.911 -10.900 4.947 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -1.937 -9.331 4.947 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -3.414 -8.518 4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -2.828 -8.241 6.036 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -2.050 -11.184 6.540 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -2.895 -10.138 7.706 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -3.606 -11.699 7.233 1.00 0.00 H new ATOM 1389 N CYS A 429 -6.468 -9.903 4.107 1.00 0.00 N ATOM 1390 CA CYS A 429 -7.294 -9.590 2.951 1.00 0.00 C ATOM 1391 C CYS A 429 -8.494 -8.719 3.344 1.00 0.00 C ATOM 1392 O CYS A 429 -8.634 -7.622 2.816 1.00 0.00 O ATOM 1393 CB CYS A 429 -7.744 -10.930 2.391 1.00 0.00 C ATOM 1394 SG CYS A 429 -6.539 -11.525 1.164 1.00 0.00 S ATOM 0 H CYS A 429 -6.359 -10.909 4.237 1.00 0.00 H new ATOM 0 HA CYS A 429 -6.739 -9.015 2.209 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -7.843 -11.656 3.198 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -8.726 -10.830 1.930 1.00 0.00 H new ATOM 0 HG CYS A 429 -6.660 -12.812 1.025 1.00 0.00 H new ATOM 1399 N LEU A 430 -9.340 -9.176 4.276 1.00 0.00 N ATOM 1400 CA LEU A 430 -10.493 -8.441 4.781 1.00 0.00 C ATOM 1401 C LEU A 430 -10.127 -7.027 5.287 1.00 0.00 C ATOM 1402 O LEU A 430 -10.689 -6.059 4.762 1.00 0.00 O ATOM 1403 CB LEU A 430 -11.229 -9.320 5.792 1.00 0.00 C ATOM 1404 CG LEU A 430 -12.744 -9.328 5.611 1.00 0.00 C ATOM 1405 CD1 LEU A 430 -13.403 -10.067 6.777 1.00 0.00 C ATOM 1406 CD2 LEU A 430 -13.418 -7.974 5.465 1.00 0.00 C ATOM 0 H LEU A 430 -9.233 -10.094 4.708 1.00 0.00 H new ATOM 0 HA LEU A 430 -11.186 -8.232 3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 430 -10.857 -10.341 5.710 1.00 0.00 H new ATOM 0 HB3 LEU A 430 -10.994 -8.975 6.799 1.00 0.00 H new ATOM 0 HG LEU A 430 -12.888 -9.831 4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 430 -14.485 -10.069 6.642 1.00 0.00 H new ATOM 0 HD12 LEU A 430 -13.039 -11.094 6.809 1.00 0.00 H new ATOM 0 HD13 LEU A 430 -13.155 -9.565 7.712 1.00 0.00 H new ATOM 0 HD21 LEU A 430 -14.492 -8.114 5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 430 -13.229 -7.375 6.356 1.00 0.00 H new ATOM 0 HD23 LEU A 430 -13.017 -7.460 4.591 1.00 0.00 H new ATOM 1418 N PRO A 431 -9.156 -6.861 6.217 1.00 0.00 N ATOM 1419 CA PRO A 431 -8.633 -5.545 6.591 1.00 0.00 C ATOM 1420 C PRO A 431 -8.332 -4.647 5.386 1.00 0.00 C ATOM 1421 O PRO A 431 -8.828 -3.524 5.309 1.00 0.00 O ATOM 1422 CB PRO A 431 -7.325 -5.831 7.327 1.00 0.00 C ATOM 1423 CG PRO A 431 -7.581 -7.170 7.997 1.00 0.00 C ATOM 1424 CD PRO A 431 -8.447 -7.897 6.970 1.00 0.00 C ATOM 0 HA PRO A 431 -9.374 -5.013 7.187 1.00 0.00 H new ATOM 0 HB2 PRO A 431 -6.480 -5.881 6.640 1.00 0.00 H new ATOM 0 HB3 PRO A 431 -7.097 -5.054 8.057 1.00 0.00 H new ATOM 0 HG2 PRO A 431 -6.654 -7.707 8.198 1.00 0.00 H new ATOM 0 HG3 PRO A 431 -8.095 -7.054 8.951 1.00 0.00 H new ATOM 0 HD2 PRO A 431 -7.833 -8.507 6.307 1.00 0.00 H new ATOM 0 HD3 PRO A 431 -9.150 -8.569 7.462 1.00 0.00 H new ATOM 1432 N LEU A 432 -7.534 -5.139 4.431 1.00 0.00 N ATOM 1433 CA LEU A 432 -7.155 -4.382 3.230 1.00 0.00 C ATOM 1434 C LEU A 432 -8.324 -4.080 2.290 1.00 0.00 C ATOM 1435 O LEU A 432 -8.345 -3.044 1.622 1.00 0.00 O ATOM 1436 CB LEU A 432 -6.080 -5.166 2.474 1.00 0.00 C ATOM 1437 CG LEU A 432 -4.701 -4.733 2.993 1.00 0.00 C ATOM 1438 CD1 LEU A 432 -3.703 -5.871 2.801 1.00 0.00 C ATOM 1439 CD2 LEU A 432 -4.225 -3.456 2.293 1.00 0.00 C ATOM 0 H LEU A 432 -7.131 -6.075 4.469 1.00 0.00 H new ATOM 0 HA LEU A 432 -6.783 -3.415 3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 432 -6.220 -6.237 2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 432 -6.157 -4.978 1.403 1.00 0.00 H new ATOM 0 HG LEU A 432 -4.778 -4.508 4.057 1.00 0.00 H new ATOM 0 HD11 LEU A 432 -2.725 -5.563 3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 432 -4.040 -6.748 3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 432 -3.631 -6.117 1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 432 -3.246 -3.172 2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 432 -4.153 -3.634 1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 432 -4.936 -2.652 2.480 1.00 0.00 H new