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 :FLIP no HD1:sc= -0.275 F(o=-4,f=-3.1) USER MOD Set 1.2: A 421 CYS SG : rot 60:sc= 0.00542 USER MOD Set 1.3: A 422 THR OG1 : rot 180:sc= 0.0271 USER MOD Set 1.4: A 426 CYS SG : rot 150:sc= -1.2 USER MOD Set 1.5: A 429 CYS SG : rot 162:sc= -1.66! USER MOD Set 2.1: A 393 HIS :FLIP no HD1:sc= -0.192 F(o=-1.2,f=0.32) USER MOD Set 2.2: A 397 CYS SG : rot 145:sc= 0.158 USER MOD Set 2.3: A 403 CYS SG : rot -59:sc= -0.319 USER MOD Set 2.4: A 408 CYS SG : rot 123:sc= 0.675 USER MOD Set 3.1: A 394 MET CE :methyl 174:sc= -0.403 (180deg=-0.0163) USER MOD Set 3.2: A 411 SER OG : rot -46:sc= 0.915 USER MOD Set 4.1: A 367 GLN : amide:sc= -1.12 X(o=-0.66,f=-0.26) USER MOD Set 4.2: A 371 GLN : amide:sc= 0.458 K(o=-0.66,f=-4.3!) USER MOD Set 5.1: A 362 HIS :FLIP no HD1:sc= -0.125 F(o=-1.1,f=-0.01) USER MOD Set 5.2: A 366 CYS SG : rot -146:sc= 1.2 USER MOD Set 5.3: A 384 CYS SG : rot 11:sc= -2.78! USER MOD Set 5.4: A 388 LYS NZ :NH3+ -171:sc= 1.69 (180deg=-0.00986) USER MOD Single : A 349 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 351 LYS NZ :NH3+ 176:sc= 1.02 (180deg=1) USER MOD Single : A 354 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 355 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 356 GLN : amide:sc= 1.01 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 383 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 386 THR OG1 : rot 180:sc= 0 USER MOD Single : A 387 MET CE :methyl 159:sc= -0.241 (180deg=-0.934) 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=-0.18) USER MOD Single : A 401 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 404 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 407 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.071) USER MOD Single : A 410 SER OG : rot 87:sc= 0.0292 USER MOD Single : A 413 GLN : amide:sc= -0.0948 K(o=-0.095,f=-0.82) USER MOD Single : A 416 SER OG : rot 89:sc= 0.00719 USER MOD Single : A 419 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 420 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 424 HIS : no HE2:sc= 1.16 K(o=1.2,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 84 N PRO A 347 4.014 -16.166 15.397 1.00 0.00 N ATOM 85 CA PRO A 347 3.095 -15.020 15.404 1.00 0.00 C ATOM 86 C PRO A 347 3.704 -13.635 15.140 1.00 0.00 C ATOM 87 O PRO A 347 3.046 -12.813 14.511 1.00 0.00 O ATOM 88 CB PRO A 347 2.385 -15.060 16.760 1.00 0.00 C ATOM 89 CG PRO A 347 2.411 -16.541 17.120 1.00 0.00 C ATOM 90 CD PRO A 347 3.754 -17.002 16.561 1.00 0.00 C ATOM 0 HA PRO A 347 2.424 -15.135 14.552 1.00 0.00 H new ATOM 0 HB2 PRO A 347 2.903 -14.455 17.504 1.00 0.00 H new ATOM 0 HB3 PRO A 347 1.366 -14.679 16.693 1.00 0.00 H new ATOM 0 HG2 PRO A 347 2.346 -16.697 18.197 1.00 0.00 H new ATOM 0 HG3 PRO A 347 1.578 -17.081 16.669 1.00 0.00 H new ATOM 0 HD2 PRO A 347 4.544 -16.892 17.304 1.00 0.00 H new ATOM 0 HD3 PRO A 347 3.720 -18.056 16.285 1.00 0.00 H new ATOM 98 N GLU A 348 4.946 -13.351 15.545 1.00 0.00 N ATOM 99 CA GLU A 348 5.601 -12.063 15.239 1.00 0.00 C ATOM 100 C GLU A 348 5.842 -11.908 13.727 1.00 0.00 C ATOM 101 O GLU A 348 5.702 -10.819 13.171 1.00 0.00 O ATOM 102 CB GLU A 348 6.947 -11.917 15.966 1.00 0.00 C ATOM 103 CG GLU A 348 6.896 -12.046 17.499 1.00 0.00 C ATOM 104 CD GLU A 348 5.917 -11.064 18.161 1.00 0.00 C ATOM 105 OE1 GLU A 348 5.937 -9.850 17.843 1.00 0.00 O ATOM 106 OE2 GLU A 348 5.091 -11.491 19.003 1.00 0.00 O ATOM 0 H GLU A 348 5.524 -13.993 16.087 1.00 0.00 H new ATOM 0 HA GLU A 348 4.923 -11.284 15.587 1.00 0.00 H new ATOM 0 HB2 GLU A 348 7.632 -12.672 15.579 1.00 0.00 H new ATOM 0 HB3 GLU A 348 7.370 -10.944 15.716 1.00 0.00 H new ATOM 0 HG2 GLU A 348 6.610 -13.065 17.761 1.00 0.00 H new ATOM 0 HG3 GLU A 348 7.894 -11.881 17.904 1.00 0.00 H new ATOM 113 N LYS A 349 6.130 -13.020 13.043 1.00 0.00 N ATOM 114 CA LYS A 349 6.327 -13.140 11.600 1.00 0.00 C ATOM 115 C LYS A 349 5.002 -12.898 10.890 1.00 0.00 C ATOM 116 O LYS A 349 4.992 -12.182 9.904 1.00 0.00 O ATOM 117 CB LYS A 349 6.918 -14.528 11.288 1.00 0.00 C ATOM 118 CG LYS A 349 7.688 -14.572 9.961 1.00 0.00 C ATOM 119 CD LYS A 349 8.290 -15.972 9.775 1.00 0.00 C ATOM 120 CE LYS A 349 9.086 -16.082 8.470 1.00 0.00 C ATOM 121 NZ LYS A 349 9.775 -17.393 8.392 1.00 0.00 N ATOM 0 H LYS A 349 6.238 -13.917 13.516 1.00 0.00 H new ATOM 0 HA LYS A 349 7.032 -12.391 11.239 1.00 0.00 H new ATOM 0 HB2 LYS A 349 7.585 -14.822 12.098 1.00 0.00 H new ATOM 0 HB3 LYS A 349 6.112 -15.261 11.257 1.00 0.00 H new ATOM 0 HG2 LYS A 349 7.021 -14.336 9.132 1.00 0.00 H new ATOM 0 HG3 LYS A 349 8.477 -13.820 9.959 1.00 0.00 H new ATOM 0 HD2 LYS A 349 8.941 -16.202 10.618 1.00 0.00 H new ATOM 0 HD3 LYS A 349 7.491 -16.714 9.777 1.00 0.00 H new ATOM 0 HE2 LYS A 349 8.417 -15.965 7.618 1.00 0.00 H new ATOM 0 HE3 LYS A 349 9.818 -15.276 8.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 10.310 -17.452 7.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 10.428 -17.490 9.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 9.071 -18.158 8.424 1.00 0.00 H new ATOM 135 N ARG A 350 3.881 -13.415 11.415 1.00 0.00 N ATOM 136 CA ARG A 350 2.510 -13.185 10.900 1.00 0.00 C ATOM 137 C ARG A 350 2.226 -11.693 10.747 1.00 0.00 C ATOM 138 O ARG A 350 2.006 -11.224 9.629 1.00 0.00 O ATOM 139 CB ARG A 350 1.449 -13.880 11.787 1.00 0.00 C ATOM 140 CG ARG A 350 1.686 -15.371 12.065 1.00 0.00 C ATOM 141 CD ARG A 350 1.499 -16.274 10.851 1.00 0.00 C ATOM 142 NE ARG A 350 1.830 -17.665 11.213 1.00 0.00 N ATOM 143 CZ ARG A 350 1.112 -18.757 11.038 1.00 0.00 C ATOM 144 NH1 ARG A 350 -0.029 -18.766 10.409 1.00 0.00 N ATOM 145 NH2 ARG A 350 1.556 -19.880 11.519 1.00 0.00 N ATOM 0 H ARG A 350 3.897 -14.023 12.234 1.00 0.00 H new ATOM 0 HA ARG A 350 2.446 -13.636 9.910 1.00 0.00 H new ATOM 0 HB2 ARG A 350 1.399 -13.355 12.741 1.00 0.00 H new ATOM 0 HB3 ARG A 350 0.475 -13.769 11.311 1.00 0.00 H new ATOM 0 HG2 ARG A 350 2.699 -15.501 12.447 1.00 0.00 H new ATOM 0 HG3 ARG A 350 1.005 -15.694 12.852 1.00 0.00 H new ATOM 0 HD2 ARG A 350 0.470 -16.215 10.496 1.00 0.00 H new ATOM 0 HD3 ARG A 350 2.138 -15.938 10.034 1.00 0.00 H new ATOM 0 HE ARG A 350 2.737 -17.801 11.659 1.00 0.00 H new ATOM 0 HH11 ARG A 350 -0.406 -17.900 10.024 1.00 0.00 H new ATOM 0 HH12 ARG A 350 -0.545 -19.639 10.301 1.00 0.00 H new ATOM 0 HH21 ARG A 350 2.444 -19.904 12.020 1.00 0.00 H new ATOM 0 HH22 ARG A 350 1.016 -20.737 11.395 1.00 0.00 H new ATOM 159 N LYS A 351 2.302 -10.943 11.851 1.00 0.00 N ATOM 160 CA LYS A 351 2.124 -9.473 11.869 1.00 0.00 C ATOM 161 C LYS A 351 3.143 -8.770 10.978 1.00 0.00 C ATOM 162 O LYS A 351 2.761 -7.888 10.215 1.00 0.00 O ATOM 163 CB LYS A 351 2.150 -8.852 13.280 1.00 0.00 C ATOM 164 CG LYS A 351 2.576 -9.796 14.402 1.00 0.00 C ATOM 165 CD LYS A 351 2.902 -9.033 15.687 1.00 0.00 C ATOM 166 CE LYS A 351 2.667 -9.930 16.906 1.00 0.00 C ATOM 167 NZ LYS A 351 3.208 -9.314 18.141 1.00 0.00 N ATOM 0 H LYS A 351 2.491 -11.337 12.773 1.00 0.00 H new ATOM 0 HA LYS A 351 1.122 -9.312 11.472 1.00 0.00 H new ATOM 0 HB2 LYS A 351 2.827 -7.998 13.270 1.00 0.00 H new ATOM 0 HB3 LYS A 351 1.156 -8.469 13.508 1.00 0.00 H new ATOM 0 HG2 LYS A 351 1.779 -10.514 14.597 1.00 0.00 H new ATOM 0 HG3 LYS A 351 3.449 -10.367 14.086 1.00 0.00 H new ATOM 0 HD2 LYS A 351 3.939 -8.698 15.667 1.00 0.00 H new ATOM 0 HD3 LYS A 351 2.280 -8.141 15.757 1.00 0.00 H new ATOM 0 HE2 LYS A 351 1.599 -10.112 17.026 1.00 0.00 H new ATOM 0 HE3 LYS A 351 3.139 -10.899 16.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 2.974 -9.913 18.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 4.241 -9.225 18.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 2.789 -8.371 18.271 1.00 0.00 H new ATOM 181 N LEU A 352 4.421 -9.151 11.059 1.00 0.00 N ATOM 182 CA LEU A 352 5.486 -8.518 10.277 1.00 0.00 C ATOM 183 C LEU A 352 5.214 -8.686 8.765 1.00 0.00 C ATOM 184 O LEU A 352 5.277 -7.714 8.009 1.00 0.00 O ATOM 185 CB LEU A 352 6.830 -9.185 10.651 1.00 0.00 C ATOM 186 CG LEU A 352 7.650 -8.592 11.826 1.00 0.00 C ATOM 187 CD1 LEU A 352 9.118 -8.425 11.440 1.00 0.00 C ATOM 188 CD2 LEU A 352 7.124 -7.294 12.446 1.00 0.00 C ATOM 0 H LEU A 352 4.745 -9.904 11.666 1.00 0.00 H new ATOM 0 HA LEU A 352 5.523 -7.452 10.499 1.00 0.00 H new ATOM 0 HB2 LEU A 352 6.628 -10.231 10.883 1.00 0.00 H new ATOM 0 HB3 LEU A 352 7.464 -9.172 9.765 1.00 0.00 H new ATOM 0 HG LEU A 352 7.534 -9.338 12.612 1.00 0.00 H new ATOM 0 HD11 LEU A 352 9.670 -8.007 12.282 1.00 0.00 H new ATOM 0 HD12 LEU A 352 9.538 -9.396 11.176 1.00 0.00 H new ATOM 0 HD13 LEU A 352 9.195 -7.752 10.586 1.00 0.00 H new ATOM 0 HD21 LEU A 352 7.785 -6.984 13.256 1.00 0.00 H new ATOM 0 HD22 LEU A 352 7.092 -6.514 11.685 1.00 0.00 H new ATOM 0 HD23 LEU A 352 6.121 -7.459 12.839 1.00 0.00 H new ATOM 200 N ILE A 353 4.888 -9.904 8.316 1.00 0.00 N ATOM 201 CA ILE A 353 4.630 -10.214 6.897 1.00 0.00 C ATOM 202 C ILE A 353 3.401 -9.466 6.370 1.00 0.00 C ATOM 203 O ILE A 353 3.473 -8.797 5.329 1.00 0.00 O ATOM 204 CB ILE A 353 4.618 -11.751 6.668 1.00 0.00 C ATOM 205 CG1 ILE A 353 5.540 -12.151 5.499 1.00 0.00 C ATOM 206 CG2 ILE A 353 3.230 -12.401 6.522 1.00 0.00 C ATOM 207 CD1 ILE A 353 6.076 -13.581 5.666 1.00 0.00 C ATOM 0 H ILE A 353 4.794 -10.713 8.930 1.00 0.00 H new ATOM 0 HA ILE A 353 5.452 -9.838 6.288 1.00 0.00 H new ATOM 0 HB ILE A 353 5.009 -12.157 7.601 1.00 0.00 H new ATOM 0 HG12 ILE A 353 4.992 -12.074 4.560 1.00 0.00 H new ATOM 0 HG13 ILE A 353 6.375 -11.453 5.438 1.00 0.00 H new ATOM 0 HG21 ILE A 353 3.345 -13.474 6.367 1.00 0.00 H new ATOM 0 HG22 ILE A 353 2.649 -12.226 7.428 1.00 0.00 H new ATOM 0 HG23 ILE A 353 2.712 -11.964 5.668 1.00 0.00 H new ATOM 0 HD11 ILE A 353 6.722 -13.828 4.824 1.00 0.00 H new ATOM 0 HD12 ILE A 353 6.646 -13.650 6.593 1.00 0.00 H new ATOM 0 HD13 ILE A 353 5.241 -14.281 5.700 1.00 0.00 H new ATOM 219 N GLN A 354 2.293 -9.495 7.127 1.00 0.00 N ATOM 220 CA GLN A 354 1.112 -8.722 6.724 1.00 0.00 C ATOM 221 C GLN A 354 1.407 -7.215 6.741 1.00 0.00 C ATOM 222 O GLN A 354 0.901 -6.505 5.881 1.00 0.00 O ATOM 223 CB GLN A 354 -0.165 -9.090 7.491 1.00 0.00 C ATOM 224 CG GLN A 354 -0.175 -8.729 8.977 1.00 0.00 C ATOM 225 CD GLN A 354 -1.568 -8.879 9.583 1.00 0.00 C ATOM 226 OE1 GLN A 354 -2.338 -7.933 9.681 1.00 0.00 O ATOM 227 NE2 GLN A 354 -1.950 -10.066 10.008 1.00 0.00 N ATOM 0 H GLN A 354 2.191 -10.026 7.992 1.00 0.00 H new ATOM 0 HA GLN A 354 0.896 -9.004 5.693 1.00 0.00 H new ATOM 0 HB2 GLN A 354 -1.010 -8.597 7.011 1.00 0.00 H new ATOM 0 HB3 GLN A 354 -0.327 -10.164 7.396 1.00 0.00 H new ATOM 0 HG2 GLN A 354 0.526 -9.370 9.512 1.00 0.00 H new ATOM 0 HG3 GLN A 354 0.169 -7.703 9.105 1.00 0.00 H new ATOM 0 HE21 GLN A 354 -1.318 -10.863 9.932 1.00 0.00 H new ATOM 0 HE22 GLN A 354 -2.878 -10.188 10.413 1.00 0.00 H new ATOM 236 N GLN A 355 2.264 -6.723 7.646 1.00 0.00 N ATOM 237 CA GLN A 355 2.696 -5.324 7.661 1.00 0.00 C ATOM 238 C GLN A 355 3.437 -4.977 6.358 1.00 0.00 C ATOM 239 O GLN A 355 3.132 -3.935 5.782 1.00 0.00 O ATOM 240 CB GLN A 355 3.479 -5.009 8.933 1.00 0.00 C ATOM 241 CG GLN A 355 4.067 -3.591 8.977 1.00 0.00 C ATOM 242 CD GLN A 355 4.873 -3.364 10.253 1.00 0.00 C ATOM 243 OE1 GLN A 355 5.991 -3.839 10.407 1.00 0.00 O ATOM 244 NE2 GLN A 355 4.349 -2.637 11.219 1.00 0.00 N ATOM 0 H GLN A 355 2.676 -7.287 8.389 1.00 0.00 H new ATOM 0 HA GLN A 355 1.824 -4.671 7.691 1.00 0.00 H new ATOM 0 HB2 GLN A 355 2.823 -5.145 9.793 1.00 0.00 H new ATOM 0 HB3 GLN A 355 4.290 -5.730 9.034 1.00 0.00 H new ATOM 0 HG2 GLN A 355 4.706 -3.433 8.108 1.00 0.00 H new ATOM 0 HG3 GLN A 355 3.261 -2.859 8.918 1.00 0.00 H new ATOM 0 HE21 GLN A 355 3.419 -2.234 11.107 1.00 0.00 H new ATOM 0 HE22 GLN A 355 4.874 -2.477 12.079 1.00 0.00 H new ATOM 253 N GLN A 356 4.311 -5.849 5.819 1.00 0.00 N ATOM 254 CA GLN A 356 4.862 -5.622 4.474 1.00 0.00 C ATOM 255 C GLN A 356 3.779 -5.495 3.411 1.00 0.00 C ATOM 256 O GLN A 356 3.757 -4.514 2.679 1.00 0.00 O ATOM 257 CB GLN A 356 5.870 -6.679 4.017 1.00 0.00 C ATOM 258 CG GLN A 356 6.733 -7.382 5.066 1.00 0.00 C ATOM 259 CD GLN A 356 7.652 -6.397 5.791 1.00 0.00 C ATOM 260 OE1 GLN A 356 8.603 -5.865 5.233 1.00 0.00 O ATOM 261 NE2 GLN A 356 7.410 -6.110 7.051 1.00 0.00 N ATOM 0 H GLN A 356 4.642 -6.695 6.282 1.00 0.00 H new ATOM 0 HA GLN A 356 5.393 -4.675 4.576 1.00 0.00 H new ATOM 0 HB2 GLN A 356 5.318 -7.448 3.476 1.00 0.00 H new ATOM 0 HB3 GLN A 356 6.542 -6.205 3.301 1.00 0.00 H new ATOM 0 HG2 GLN A 356 6.091 -7.882 5.791 1.00 0.00 H new ATOM 0 HG3 GLN A 356 7.333 -8.155 4.586 1.00 0.00 H new ATOM 0 HE21 GLN A 356 6.622 -6.545 7.531 1.00 0.00 H new ATOM 0 HE22 GLN A 356 8.011 -5.453 7.549 1.00 0.00 H new ATOM 270 N LEU A 357 2.879 -6.478 3.341 1.00 0.00 N ATOM 271 CA LEU A 357 1.751 -6.461 2.393 1.00 0.00 C ATOM 272 C LEU A 357 0.930 -5.145 2.513 1.00 0.00 C ATOM 273 O LEU A 357 0.701 -4.447 1.524 1.00 0.00 O ATOM 274 CB LEU A 357 0.922 -7.735 2.642 1.00 0.00 C ATOM 275 CG LEU A 357 0.214 -8.257 1.383 1.00 0.00 C ATOM 276 CD1 LEU A 357 -0.511 -9.560 1.700 1.00 0.00 C ATOM 277 CD2 LEU A 357 -0.750 -7.233 0.810 1.00 0.00 C ATOM 0 H LEU A 357 2.907 -7.307 3.935 1.00 0.00 H new ATOM 0 HA LEU A 357 2.102 -6.469 1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 357 1.576 -8.515 3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 357 0.177 -7.530 3.411 1.00 0.00 H new ATOM 0 HG LEU A 357 0.973 -8.443 0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 357 -1.011 -9.925 0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 357 0.209 -10.303 2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 357 -1.250 -9.384 2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 357 -1.229 -7.642 -0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 357 -1.510 -6.993 1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 357 -0.204 -6.328 0.544 1.00 0.00 H new ATOM 289 N VAL A 358 0.553 -4.740 3.729 1.00 0.00 N ATOM 290 CA VAL A 358 -0.156 -3.476 4.020 1.00 0.00 C ATOM 291 C VAL A 358 0.643 -2.256 3.545 1.00 0.00 C ATOM 292 O VAL A 358 0.064 -1.314 3.005 1.00 0.00 O ATOM 293 CB VAL A 358 -0.425 -3.366 5.544 1.00 0.00 C ATOM 294 CG1 VAL A 358 -0.957 -1.991 5.976 1.00 0.00 C ATOM 295 CG2 VAL A 358 -1.405 -4.424 6.088 1.00 0.00 C ATOM 0 H VAL A 358 0.734 -5.293 4.567 1.00 0.00 H new ATOM 0 HA VAL A 358 -1.101 -3.489 3.477 1.00 0.00 H new ATOM 0 HB VAL A 358 0.564 -3.534 5.970 1.00 0.00 H new ATOM 0 HG11 VAL A 358 -1.122 -1.987 7.053 1.00 0.00 H new ATOM 0 HG12 VAL A 358 -0.229 -1.222 5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 358 -1.897 -1.787 5.464 1.00 0.00 H new ATOM 0 HG21 VAL A 358 -1.539 -4.279 7.160 1.00 0.00 H new ATOM 0 HG22 VAL A 358 -2.366 -4.322 5.585 1.00 0.00 H new ATOM 0 HG23 VAL A 358 -1.003 -5.421 5.905 1.00 0.00 H new ATOM 305 N LEU A 359 1.969 -2.270 3.697 1.00 0.00 N ATOM 306 CA LEU A 359 2.862 -1.179 3.285 1.00 0.00 C ATOM 307 C LEU A 359 3.097 -1.170 1.771 1.00 0.00 C ATOM 308 O LEU A 359 3.287 -0.105 1.197 1.00 0.00 O ATOM 309 CB LEU A 359 4.200 -1.244 4.045 1.00 0.00 C ATOM 310 CG LEU A 359 4.359 -0.289 5.242 1.00 0.00 C ATOM 311 CD1 LEU A 359 4.470 1.170 4.789 1.00 0.00 C ATOM 312 CD2 LEU A 359 3.229 -0.401 6.266 1.00 0.00 C ATOM 0 H LEU A 359 2.465 -3.056 4.119 1.00 0.00 H new ATOM 0 HA LEU A 359 2.365 -0.244 3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.340 -2.264 4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 359 5.004 -1.041 3.338 1.00 0.00 H new ATOM 0 HG LEU A 359 5.284 -0.600 5.727 1.00 0.00 H new ATOM 0 HD11 LEU A 359 4.581 1.814 5.661 1.00 0.00 H new ATOM 0 HD12 LEU A 359 5.338 1.285 4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 359 3.570 1.451 4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 359 3.406 0.300 7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 359 2.279 -0.167 5.786 1.00 0.00 H new ATOM 0 HD23 LEU A 359 3.195 -1.416 6.661 1.00 0.00 H new ATOM 324 N LEU A 360 3.035 -2.327 1.115 1.00 0.00 N ATOM 325 CA LEU A 360 3.111 -2.503 -0.336 1.00 0.00 C ATOM 326 C LEU A 360 1.879 -1.888 -0.999 1.00 0.00 C ATOM 327 O LEU A 360 1.968 -1.185 -2.003 1.00 0.00 O ATOM 328 CB LEU A 360 3.143 -4.017 -0.620 1.00 0.00 C ATOM 329 CG LEU A 360 4.467 -4.613 -1.122 1.00 0.00 C ATOM 330 CD1 LEU A 360 5.723 -4.066 -0.442 1.00 0.00 C ATOM 331 CD2 LEU A 360 4.411 -6.121 -0.872 1.00 0.00 C ATOM 0 H LEU A 360 2.925 -3.214 1.606 1.00 0.00 H new ATOM 0 HA LEU A 360 4.001 -2.014 -0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 360 2.865 -4.538 0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 360 2.372 -4.238 -1.359 1.00 0.00 H new ATOM 0 HG LEU A 360 4.554 -4.343 -2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 360 6.605 -4.548 -0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 360 5.785 -2.990 -0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 360 5.676 -4.270 0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 360 5.337 -6.582 -1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 360 4.287 -6.309 0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 360 3.569 -6.549 -1.416 1.00 0.00 H new ATOM 343 N LEU A 361 0.712 -2.142 -0.413 1.00 0.00 N ATOM 344 CA LEU A 361 -0.548 -1.592 -0.892 1.00 0.00 C ATOM 345 C LEU A 361 -0.659 -0.109 -0.549 1.00 0.00 C ATOM 346 O LEU A 361 -1.088 0.675 -1.399 1.00 0.00 O ATOM 347 CB LEU A 361 -1.683 -2.475 -0.370 1.00 0.00 C ATOM 348 CG LEU A 361 -1.561 -3.897 -0.975 1.00 0.00 C ATOM 349 CD1 LEU A 361 -2.765 -4.736 -0.587 1.00 0.00 C ATOM 350 CD2 LEU A 361 -1.499 -3.942 -2.507 1.00 0.00 C ATOM 0 H LEU A 361 0.616 -2.737 0.410 1.00 0.00 H new ATOM 0 HA LEU A 361 -0.610 -1.612 -1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 361 -1.644 -2.528 0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 361 -2.646 -2.039 -0.634 1.00 0.00 H new ATOM 0 HG LEU A 361 -0.620 -4.276 -0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 361 -2.668 -5.733 -1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 361 -2.820 -4.814 0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 361 -3.673 -4.265 -0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 361 -1.414 -4.977 -2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 361 -2.406 -3.502 -2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 361 -0.632 -3.379 -2.853 1.00 0.00 H new ATOM 362 N HIS A 362 -0.158 0.299 0.626 1.00 0.00 N ATOM 363 CA HIS A 362 -0.023 1.714 0.961 1.00 0.00 C ATOM 364 C HIS A 362 0.912 2.371 -0.061 1.00 0.00 C ATOM 365 O HIS A 362 0.608 3.447 -0.554 1.00 0.00 O ATOM 366 CB HIS A 362 0.496 1.917 2.393 1.00 0.00 C ATOM 367 CG HIS A 362 0.577 3.378 2.779 1.00 0.00 C ATOM 368 ND1 HIS A 362 1.491 4.293 2.325 1.00 0.00 N flip ATOM 369 CD2 HIS A 362 -0.290 4.056 3.608 1.00 0.00 C flip ATOM 370 CE1 HIS A 362 1.162 5.542 2.859 1.00 0.00 C flip ATOM 371 NE2 HIS A 362 0.087 5.347 3.638 1.00 0.00 N flip ATOM 0 H HIS A 362 0.159 -0.337 1.358 1.00 0.00 H new ATOM 0 HA HIS A 362 -1.006 2.183 0.920 1.00 0.00 H new ATOM 0 HB2 HIS A 362 -0.160 1.396 3.091 1.00 0.00 H new ATOM 0 HB3 HIS A 362 1.484 1.465 2.486 1.00 0.00 H new ATOM 0 HD2 HIS A 362 -1.126 3.626 4.140 1.00 0.00 H new ATOM 0 HE1 HIS A 362 1.671 6.477 2.680 1.00 0.00 H new ATOM 0 HE2 HIS A 362 -0.379 6.076 4.178 1.00 0.00 H new ATOM 379 N ALA A 363 2.021 1.722 -0.425 1.00 0.00 N ATOM 380 CA ALA A 363 2.956 2.205 -1.428 1.00 0.00 C ATOM 381 C ALA A 363 2.281 2.369 -2.798 1.00 0.00 C ATOM 382 O ALA A 363 2.474 3.408 -3.410 1.00 0.00 O ATOM 383 CB ALA A 363 4.186 1.294 -1.468 1.00 0.00 C ATOM 0 H ALA A 363 2.294 0.827 -0.018 1.00 0.00 H new ATOM 0 HA ALA A 363 3.296 3.203 -1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 363 4.885 1.659 -2.221 1.00 0.00 H new ATOM 0 HB2 ALA A 363 4.671 1.295 -0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 363 3.879 0.279 -1.720 1.00 0.00 H new ATOM 389 N HIS A 364 1.462 1.427 -3.283 1.00 0.00 N ATOM 390 CA HIS A 364 0.728 1.583 -4.547 1.00 0.00 C ATOM 391 C HIS A 364 -0.152 2.851 -4.520 1.00 0.00 C ATOM 392 O HIS A 364 -0.011 3.775 -5.336 1.00 0.00 O ATOM 393 CB HIS A 364 -0.129 0.329 -4.792 1.00 0.00 C ATOM 394 CG HIS A 364 -0.812 0.333 -6.136 1.00 0.00 C ATOM 395 ND1 HIS A 364 -0.232 0.034 -7.349 1.00 0.00 N ATOM 396 CD2 HIS A 364 -2.124 0.643 -6.383 1.00 0.00 C ATOM 397 CE1 HIS A 364 -1.168 0.160 -8.305 1.00 0.00 C ATOM 398 NE2 HIS A 364 -2.344 0.531 -7.763 1.00 0.00 N ATOM 0 H HIS A 364 1.289 0.538 -2.813 1.00 0.00 H new ATOM 0 HA HIS A 364 1.441 1.696 -5.363 1.00 0.00 H new ATOM 0 HB2 HIS A 364 0.502 -0.556 -4.715 1.00 0.00 H new ATOM 0 HB3 HIS A 364 -0.883 0.252 -4.008 1.00 0.00 H new ATOM 0 HD2 HIS A 364 -2.860 0.924 -5.644 1.00 0.00 H new ATOM 0 HE1 HIS A 364 -1.001 -0.012 -9.358 1.00 0.00 H new ATOM 0 HE2 HIS A 364 -3.220 0.697 -8.258 1.00 0.00 H new ATOM 406 N LYS A 365 -1.011 2.899 -3.491 1.00 0.00 N ATOM 407 CA LYS A 365 -1.914 4.002 -3.130 1.00 0.00 C ATOM 408 C LYS A 365 -1.208 5.354 -3.143 1.00 0.00 C ATOM 409 O LYS A 365 -1.579 6.263 -3.884 1.00 0.00 O ATOM 410 CB LYS A 365 -2.490 3.649 -1.737 1.00 0.00 C ATOM 411 CG LYS A 365 -2.868 4.800 -0.788 1.00 0.00 C ATOM 412 CD LYS A 365 -3.349 4.196 0.543 1.00 0.00 C ATOM 413 CE LYS A 365 -3.966 5.300 1.409 1.00 0.00 C ATOM 414 NZ LYS A 365 -4.620 4.759 2.630 1.00 0.00 N ATOM 0 H LYS A 365 -1.099 2.115 -2.845 1.00 0.00 H new ATOM 0 HA LYS A 365 -2.714 4.106 -3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 365 -3.381 3.040 -1.891 1.00 0.00 H new ATOM 0 HB3 LYS A 365 -1.760 3.023 -1.225 1.00 0.00 H new ATOM 0 HG2 LYS A 365 -2.010 5.451 -0.621 1.00 0.00 H new ATOM 0 HG3 LYS A 365 -3.652 5.414 -1.231 1.00 0.00 H new ATOM 0 HD2 LYS A 365 -4.083 3.413 0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 365 -2.514 3.731 1.067 1.00 0.00 H new ATOM 0 HE2 LYS A 365 -3.190 6.008 1.699 1.00 0.00 H new ATOM 0 HE3 LYS A 365 -4.699 5.853 0.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 -5.023 5.542 3.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 -5.379 4.103 2.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 -3.917 4.253 3.206 1.00 0.00 H new ATOM 428 N CYS A 366 -0.200 5.465 -2.290 1.00 0.00 N ATOM 429 CA CYS A 366 0.564 6.656 -2.008 1.00 0.00 C ATOM 430 C CYS A 366 1.532 7.002 -3.148 1.00 0.00 C ATOM 431 O CYS A 366 1.822 8.173 -3.340 1.00 0.00 O ATOM 432 CB CYS A 366 1.156 6.432 -0.614 1.00 0.00 C ATOM 433 SG CYS A 366 1.917 7.882 0.164 1.00 0.00 S ATOM 0 H CYS A 366 0.122 4.667 -1.743 1.00 0.00 H new ATOM 0 HA CYS A 366 -0.032 7.568 -1.974 1.00 0.00 H new ATOM 0 HB2 CYS A 366 0.366 6.065 0.041 1.00 0.00 H new ATOM 0 HB3 CYS A 366 1.906 5.644 -0.681 1.00 0.00 H new ATOM 0 HG CYS A 366 2.933 7.506 0.882 1.00 0.00 H new ATOM 438 N GLN A 367 2.007 6.049 -3.958 1.00 0.00 N ATOM 439 CA GLN A 367 2.822 6.353 -5.143 1.00 0.00 C ATOM 440 C GLN A 367 1.940 7.077 -6.160 1.00 0.00 C ATOM 441 O GLN A 367 2.330 8.148 -6.622 1.00 0.00 O ATOM 442 CB GLN A 367 3.468 5.086 -5.737 1.00 0.00 C ATOM 443 CG GLN A 367 4.455 5.350 -6.890 1.00 0.00 C ATOM 444 CD GLN A 367 3.807 5.662 -8.242 1.00 0.00 C ATOM 445 OE1 GLN A 367 2.778 5.121 -8.623 1.00 0.00 O ATOM 446 NE2 GLN A 367 4.387 6.545 -9.028 1.00 0.00 N ATOM 0 H GLN A 367 1.840 5.053 -3.814 1.00 0.00 H new ATOM 0 HA GLN A 367 3.652 7.000 -4.858 1.00 0.00 H new ATOM 0 HB2 GLN A 367 3.992 4.554 -4.942 1.00 0.00 H new ATOM 0 HB3 GLN A 367 2.679 4.426 -6.096 1.00 0.00 H new ATOM 0 HG2 GLN A 367 5.099 6.184 -6.612 1.00 0.00 H new ATOM 0 HG3 GLN A 367 5.097 4.477 -7.005 1.00 0.00 H new ATOM 0 HE21 GLN A 367 5.246 7.008 -8.729 1.00 0.00 H new ATOM 0 HE22 GLN A 367 3.978 6.767 -9.936 1.00 0.00 H new ATOM 455 N ARG A 368 0.740 6.554 -6.471 1.00 0.00 N ATOM 456 CA ARG A 368 -0.185 7.232 -7.396 1.00 0.00 C ATOM 457 C ARG A 368 -0.666 8.574 -6.858 1.00 0.00 C ATOM 458 O ARG A 368 -0.642 9.573 -7.575 1.00 0.00 O ATOM 459 CB ARG A 368 -1.331 6.276 -7.767 1.00 0.00 C ATOM 460 CG ARG A 368 -2.266 6.810 -8.865 1.00 0.00 C ATOM 461 CD ARG A 368 -1.523 7.182 -10.158 1.00 0.00 C ATOM 462 NE ARG A 368 -2.458 7.438 -11.270 1.00 0.00 N ATOM 463 CZ ARG A 368 -2.131 7.776 -12.504 1.00 0.00 C ATOM 464 NH1 ARG A 368 -0.896 7.969 -12.874 1.00 0.00 N ATOM 465 NH2 ARG A 368 -3.055 7.929 -13.410 1.00 0.00 N ATOM 0 H ARG A 368 0.391 5.671 -6.099 1.00 0.00 H new ATOM 0 HA ARG A 368 0.351 7.481 -8.312 1.00 0.00 H new ATOM 0 HB2 ARG A 368 -0.906 5.328 -8.097 1.00 0.00 H new ATOM 0 HB3 ARG A 368 -1.920 6.068 -6.873 1.00 0.00 H new ATOM 0 HG2 ARG A 368 -3.021 6.056 -9.090 1.00 0.00 H new ATOM 0 HG3 ARG A 368 -2.793 7.687 -8.490 1.00 0.00 H new ATOM 0 HD2 ARG A 368 -0.912 8.068 -9.985 1.00 0.00 H new ATOM 0 HD3 ARG A 368 -0.843 6.375 -10.432 1.00 0.00 H new ATOM 0 HE ARG A 368 -3.453 7.345 -11.066 1.00 0.00 H new ATOM 0 HH11 ARG A 368 -0.139 7.860 -12.200 1.00 0.00 H new ATOM 0 HH12 ARG A 368 -0.687 8.229 -13.838 1.00 0.00 H new ATOM 0 HH21 ARG A 368 -4.036 7.788 -13.167 1.00 0.00 H new ATOM 0 HH22 ARG A 368 -2.798 8.190 -14.362 1.00 0.00 H new ATOM 479 N ARG A 369 -1.043 8.613 -5.582 1.00 0.00 N ATOM 480 CA ARG A 369 -1.492 9.826 -4.892 1.00 0.00 C ATOM 481 C ARG A 369 -0.408 10.907 -4.861 1.00 0.00 C ATOM 482 O ARG A 369 -0.698 12.080 -5.083 1.00 0.00 O ATOM 483 CB ARG A 369 -1.957 9.394 -3.490 1.00 0.00 C ATOM 484 CG ARG A 369 -2.123 10.474 -2.410 1.00 0.00 C ATOM 485 CD ARG A 369 -2.352 9.802 -1.043 1.00 0.00 C ATOM 486 NE ARG A 369 -3.733 9.288 -0.893 1.00 0.00 N ATOM 487 CZ ARG A 369 -4.786 9.962 -0.455 1.00 0.00 C ATOM 488 NH1 ARG A 369 -4.721 11.224 -0.134 1.00 0.00 N ATOM 489 NH2 ARG A 369 -5.944 9.384 -0.332 1.00 0.00 N ATOM 0 H ARG A 369 -1.046 7.787 -4.984 1.00 0.00 H new ATOM 0 HA ARG A 369 -2.319 10.293 -5.427 1.00 0.00 H new ATOM 0 HB2 ARG A 369 -2.914 8.885 -3.600 1.00 0.00 H new ATOM 0 HB3 ARG A 369 -1.245 8.658 -3.116 1.00 0.00 H new ATOM 0 HG2 ARG A 369 -1.235 11.106 -2.373 1.00 0.00 H new ATOM 0 HG3 ARG A 369 -2.965 11.122 -2.655 1.00 0.00 H new ATOM 0 HD2 ARG A 369 -1.646 8.981 -0.922 1.00 0.00 H new ATOM 0 HD3 ARG A 369 -2.146 10.520 -0.249 1.00 0.00 H new ATOM 0 HE ARG A 369 -3.889 8.314 -1.154 1.00 0.00 H new ATOM 0 HH11 ARG A 369 -3.837 11.726 -0.217 1.00 0.00 H new ATOM 0 HH12 ARG A 369 -5.554 11.709 0.200 1.00 0.00 H new ATOM 0 HH21 ARG A 369 -6.051 8.399 -0.574 1.00 0.00 H new ATOM 0 HH22 ARG A 369 -6.746 9.916 0.007 1.00 0.00 H new ATOM 503 N GLU A 370 0.840 10.512 -4.618 1.00 0.00 N ATOM 504 CA GLU A 370 1.989 11.422 -4.594 1.00 0.00 C ATOM 505 C GLU A 370 2.321 11.928 -5.994 1.00 0.00 C ATOM 506 O GLU A 370 2.383 13.132 -6.222 1.00 0.00 O ATOM 507 CB GLU A 370 3.193 10.708 -3.972 1.00 0.00 C ATOM 508 CG GLU A 370 4.399 11.623 -3.778 1.00 0.00 C ATOM 509 CD GLU A 370 5.225 11.221 -2.533 1.00 0.00 C ATOM 510 OE1 GLU A 370 5.657 10.048 -2.403 1.00 0.00 O ATOM 511 OE2 GLU A 370 5.397 12.068 -1.624 1.00 0.00 O ATOM 0 H GLU A 370 1.087 9.541 -4.430 1.00 0.00 H new ATOM 0 HA GLU A 370 1.736 12.291 -3.986 1.00 0.00 H new ATOM 0 HB2 GLU A 370 2.902 10.291 -3.008 1.00 0.00 H new ATOM 0 HB3 GLU A 370 3.479 9.870 -4.608 1.00 0.00 H new ATOM 0 HG2 GLU A 370 5.033 11.583 -4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 370 4.061 12.654 -3.674 1.00 0.00 H new ATOM 518 N GLN A 371 2.464 11.009 -6.947 1.00 0.00 N ATOM 519 CA GLN A 371 2.667 11.293 -8.379 1.00 0.00 C ATOM 520 C GLN A 371 1.616 12.291 -8.916 1.00 0.00 C ATOM 521 O GLN A 371 1.925 13.141 -9.753 1.00 0.00 O ATOM 522 CB GLN A 371 2.608 9.955 -9.137 1.00 0.00 C ATOM 523 CG GLN A 371 2.770 10.045 -10.662 1.00 0.00 C ATOM 524 CD GLN A 371 2.590 8.674 -11.314 1.00 0.00 C ATOM 525 OE1 GLN A 371 1.505 8.108 -11.346 1.00 0.00 O ATOM 526 NE2 GLN A 371 3.633 8.077 -11.853 1.00 0.00 N ATOM 0 H GLN A 371 2.442 10.010 -6.743 1.00 0.00 H new ATOM 0 HA GLN A 371 3.638 11.765 -8.528 1.00 0.00 H new ATOM 0 HB2 GLN A 371 3.388 9.302 -8.745 1.00 0.00 H new ATOM 0 HB3 GLN A 371 1.653 9.477 -8.919 1.00 0.00 H new ATOM 0 HG2 GLN A 371 2.039 10.744 -11.068 1.00 0.00 H new ATOM 0 HG3 GLN A 371 3.757 10.440 -10.904 1.00 0.00 H new ATOM 0 HE21 GLN A 371 4.546 8.532 -11.837 1.00 0.00 H new ATOM 0 HE22 GLN A 371 3.528 7.160 -12.287 1.00 0.00 H new ATOM 535 N ALA A 372 0.381 12.201 -8.411 1.00 0.00 N ATOM 536 CA ALA A 372 -0.748 13.065 -8.780 1.00 0.00 C ATOM 537 C ALA A 372 -0.747 14.473 -8.130 1.00 0.00 C ATOM 538 O ALA A 372 -1.561 15.316 -8.518 1.00 0.00 O ATOM 539 CB ALA A 372 -2.049 12.313 -8.466 1.00 0.00 C ATOM 0 H ALA A 372 0.131 11.502 -7.711 1.00 0.00 H new ATOM 0 HA ALA A 372 -0.653 13.272 -9.846 1.00 0.00 H new ATOM 0 HB1 ALA A 372 -2.903 12.936 -8.732 1.00 0.00 H new ATOM 0 HB2 ALA A 372 -2.082 11.387 -9.041 1.00 0.00 H new ATOM 0 HB3 ALA A 372 -2.087 12.081 -7.402 1.00 0.00 H new ATOM 652 N LEU A 381 5.227 8.196 7.317 1.00 0.00 N ATOM 653 CA LEU A 381 5.701 6.816 7.483 1.00 0.00 C ATOM 654 C LEU A 381 7.131 6.691 6.899 1.00 0.00 C ATOM 655 O LEU A 381 7.313 6.958 5.705 1.00 0.00 O ATOM 656 CB LEU A 381 4.724 5.849 6.777 1.00 0.00 C ATOM 657 CG LEU A 381 3.567 5.326 7.650 1.00 0.00 C ATOM 658 CD1 LEU A 381 2.623 6.435 8.119 1.00 0.00 C ATOM 659 CD2 LEU A 381 2.740 4.310 6.859 1.00 0.00 C ATOM 0 HA LEU A 381 5.737 6.555 8.541 1.00 0.00 H new ATOM 0 HB2 LEU A 381 4.302 6.355 5.909 1.00 0.00 H new ATOM 0 HB3 LEU A 381 5.290 4.995 6.404 1.00 0.00 H new ATOM 0 HG LEU A 381 4.027 4.873 8.529 1.00 0.00 H new ATOM 0 HD11 LEU A 381 1.830 6.004 8.729 1.00 0.00 H new ATOM 0 HD12 LEU A 381 3.181 7.162 8.710 1.00 0.00 H new ATOM 0 HD13 LEU A 381 2.185 6.931 7.253 1.00 0.00 H new ATOM 0 HD21 LEU A 381 1.923 3.943 7.480 1.00 0.00 H new ATOM 0 HD22 LEU A 381 2.332 4.788 5.968 1.00 0.00 H new ATOM 0 HD23 LEU A 381 3.375 3.475 6.564 1.00 0.00 H new ATOM 671 N PRO A 382 8.155 6.297 7.685 1.00 0.00 N ATOM 672 CA PRO A 382 9.536 6.215 7.196 1.00 0.00 C ATOM 673 C PRO A 382 9.750 5.087 6.174 1.00 0.00 C ATOM 674 O PRO A 382 10.568 5.220 5.263 1.00 0.00 O ATOM 675 CB PRO A 382 10.397 6.023 8.450 1.00 0.00 C ATOM 676 CG PRO A 382 9.454 5.341 9.441 1.00 0.00 C ATOM 677 CD PRO A 382 8.092 5.944 9.098 1.00 0.00 C ATOM 0 HA PRO A 382 9.806 7.118 6.649 1.00 0.00 H new ATOM 0 HB2 PRO A 382 11.273 5.408 8.243 1.00 0.00 H new ATOM 0 HB3 PRO A 382 10.761 6.976 8.835 1.00 0.00 H new ATOM 0 HG2 PRO A 382 9.457 4.258 9.320 1.00 0.00 H new ATOM 0 HG3 PRO A 382 9.737 5.547 10.473 1.00 0.00 H new ATOM 0 HD2 PRO A 382 7.290 5.230 9.287 1.00 0.00 H new ATOM 0 HD3 PRO A 382 7.888 6.822 9.711 1.00 0.00 H new ATOM 685 N HIS A 383 9.009 3.983 6.307 1.00 0.00 N ATOM 686 CA HIS A 383 9.093 2.824 5.414 1.00 0.00 C ATOM 687 C HIS A 383 8.352 3.018 4.080 1.00 0.00 C ATOM 688 O HIS A 383 8.628 2.293 3.128 1.00 0.00 O ATOM 689 CB HIS A 383 8.530 1.594 6.148 1.00 0.00 C ATOM 690 CG HIS A 383 9.175 1.339 7.491 1.00 0.00 C ATOM 691 ND1 HIS A 383 10.523 1.201 7.740 1.00 0.00 N ATOM 692 CD2 HIS A 383 8.532 1.243 8.698 1.00 0.00 C ATOM 693 CE1 HIS A 383 10.691 1.029 9.063 1.00 0.00 C ATOM 694 NE2 HIS A 383 9.501 1.047 9.692 1.00 0.00 N ATOM 0 H HIS A 383 8.322 3.868 7.052 1.00 0.00 H new ATOM 0 HA HIS A 383 10.144 2.687 5.160 1.00 0.00 H new ATOM 0 HB2 HIS A 383 7.457 1.726 6.289 1.00 0.00 H new ATOM 0 HB3 HIS A 383 8.663 0.714 5.518 1.00 0.00 H new ATOM 0 HD2 HIS A 383 7.465 1.307 8.856 1.00 0.00 H new ATOM 0 HE1 HIS A 383 11.645 0.895 9.551 1.00 0.00 H new ATOM 0 HE2 HIS A 383 9.337 0.939 10.693 1.00 0.00 H new ATOM 702 N CYS A 384 7.418 3.973 3.996 1.00 0.00 N ATOM 703 CA CYS A 384 6.573 4.231 2.830 1.00 0.00 C ATOM 704 C CYS A 384 7.336 4.407 1.503 1.00 0.00 C ATOM 705 O CYS A 384 7.132 3.640 0.560 1.00 0.00 O ATOM 706 CB CYS A 384 5.697 5.440 3.182 1.00 0.00 C ATOM 707 SG CYS A 384 4.529 5.780 1.847 1.00 0.00 S ATOM 0 H CYS A 384 7.225 4.610 4.769 1.00 0.00 H new ATOM 0 HA CYS A 384 5.964 3.350 2.629 1.00 0.00 H new ATOM 0 HB2 CYS A 384 5.155 5.247 4.108 1.00 0.00 H new ATOM 0 HB3 CYS A 384 6.325 6.314 3.356 1.00 0.00 H new ATOM 0 HG CYS A 384 4.538 4.793 1.001 1.00 0.00 H new ATOM 712 N ARG A 385 8.248 5.386 1.409 1.00 0.00 N ATOM 713 CA ARG A 385 9.017 5.642 0.171 1.00 0.00 C ATOM 714 C ARG A 385 9.992 4.501 -0.167 1.00 0.00 C ATOM 715 O ARG A 385 10.194 4.185 -1.341 1.00 0.00 O ATOM 716 CB ARG A 385 9.674 7.036 0.214 1.00 0.00 C ATOM 717 CG ARG A 385 8.706 8.192 -0.142 1.00 0.00 C ATOM 718 CD ARG A 385 7.512 8.356 0.815 1.00 0.00 C ATOM 719 NE ARG A 385 6.711 9.571 0.529 1.00 0.00 N ATOM 720 CZ ARG A 385 6.016 10.272 1.412 1.00 0.00 C ATOM 721 NH1 ARG A 385 5.924 9.921 2.662 1.00 0.00 N ATOM 722 NH2 ARG A 385 5.393 11.356 1.056 1.00 0.00 N ATOM 0 H ARG A 385 8.475 6.019 2.176 1.00 0.00 H new ATOM 0 HA ARG A 385 8.317 5.656 -0.664 1.00 0.00 H new ATOM 0 HB2 ARG A 385 10.078 7.207 1.212 1.00 0.00 H new ATOM 0 HB3 ARG A 385 10.516 7.053 -0.478 1.00 0.00 H new ATOM 0 HG2 ARG A 385 9.269 9.125 -0.160 1.00 0.00 H new ATOM 0 HG3 ARG A 385 8.325 8.030 -1.150 1.00 0.00 H new ATOM 0 HD2 ARG A 385 6.871 7.478 0.743 1.00 0.00 H new ATOM 0 HD3 ARG A 385 7.877 8.400 1.841 1.00 0.00 H new ATOM 0 HE ARG A 385 6.694 9.897 -0.437 1.00 0.00 H new ATOM 0 HH11 ARG A 385 6.397 9.080 2.992 1.00 0.00 H new ATOM 0 HH12 ARG A 385 5.379 10.487 3.312 1.00 0.00 H new ATOM 0 HH21 ARG A 385 5.436 11.675 0.088 1.00 0.00 H new ATOM 0 HH22 ARG A 385 4.861 11.888 1.745 1.00 0.00 H new ATOM 736 N THR A 386 10.519 3.809 0.843 1.00 0.00 N ATOM 737 CA THR A 386 11.359 2.609 0.674 1.00 0.00 C ATOM 738 C THR A 386 10.518 1.479 0.075 1.00 0.00 C ATOM 739 O THR A 386 10.930 0.832 -0.883 1.00 0.00 O ATOM 740 CB THR A 386 11.972 2.169 2.015 1.00 0.00 C ATOM 741 OG1 THR A 386 12.702 3.245 2.568 1.00 0.00 O ATOM 742 CG2 THR A 386 12.939 0.993 1.869 1.00 0.00 C ATOM 0 H THR A 386 10.376 4.065 1.820 1.00 0.00 H new ATOM 0 HA THR A 386 12.179 2.848 -0.003 1.00 0.00 H new ATOM 0 HB THR A 386 11.142 1.861 2.651 1.00 0.00 H new ATOM 0 HG1 THR A 386 13.093 2.970 3.423 1.00 0.00 H new ATOM 0 HG21 THR A 386 13.339 0.728 2.847 1.00 0.00 H new ATOM 0 HG22 THR A 386 12.410 0.137 1.449 1.00 0.00 H new ATOM 0 HG23 THR A 386 13.757 1.275 1.206 1.00 0.00 H new ATOM 750 N MET A 387 9.299 1.273 0.577 1.00 0.00 N ATOM 751 CA MET A 387 8.351 0.285 0.057 1.00 0.00 C ATOM 752 C MET A 387 7.895 0.638 -1.363 1.00 0.00 C ATOM 753 O MET A 387 7.806 -0.254 -2.201 1.00 0.00 O ATOM 754 CB MET A 387 7.156 0.189 1.005 1.00 0.00 C ATOM 755 CG MET A 387 7.519 -0.541 2.311 1.00 0.00 C ATOM 756 SD MET A 387 7.211 -2.332 2.404 1.00 0.00 S ATOM 757 CE MET A 387 8.531 -3.007 1.367 1.00 0.00 C ATOM 0 H MET A 387 8.936 1.799 1.372 1.00 0.00 H new ATOM 0 HA MET A 387 8.848 -0.683 0.001 1.00 0.00 H new ATOM 0 HB2 MET A 387 6.795 1.191 1.237 1.00 0.00 H new ATOM 0 HB3 MET A 387 6.340 -0.337 0.509 1.00 0.00 H new ATOM 0 HG2 MET A 387 8.579 -0.374 2.503 1.00 0.00 H new ATOM 0 HG3 MET A 387 6.969 -0.065 3.123 1.00 0.00 H new ATOM 0 HE1 MET A 387 8.696 -4.053 1.624 1.00 0.00 H new ATOM 0 HE2 MET A 387 8.244 -2.932 0.318 1.00 0.00 H new ATOM 0 HE3 MET A 387 9.449 -2.443 1.533 1.00 0.00 H new ATOM 767 N LYS A 388 7.670 1.918 -1.691 1.00 0.00 N ATOM 768 CA LYS A 388 7.403 2.351 -3.072 1.00 0.00 C ATOM 769 C LYS A 388 8.587 2.013 -3.985 1.00 0.00 C ATOM 770 O LYS A 388 8.374 1.562 -5.109 1.00 0.00 O ATOM 771 CB LYS A 388 7.139 3.855 -3.060 1.00 0.00 C ATOM 772 CG LYS A 388 5.772 4.242 -2.474 1.00 0.00 C ATOM 773 CD LYS A 388 5.687 5.767 -2.397 1.00 0.00 C ATOM 774 CE LYS A 388 4.506 6.280 -1.563 1.00 0.00 C ATOM 775 NZ LYS A 388 4.293 7.739 -1.747 1.00 0.00 N ATOM 0 H LYS A 388 7.668 2.679 -1.012 1.00 0.00 H new ATOM 0 HA LYS A 388 6.531 1.826 -3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 388 7.923 4.347 -2.484 1.00 0.00 H new ATOM 0 HB3 LYS A 388 7.207 4.234 -4.080 1.00 0.00 H new ATOM 0 HG2 LYS A 388 4.969 3.850 -3.097 1.00 0.00 H new ATOM 0 HG3 LYS A 388 5.648 3.806 -1.483 1.00 0.00 H new ATOM 0 HD2 LYS A 388 6.614 6.152 -1.972 1.00 0.00 H new ATOM 0 HD3 LYS A 388 5.608 6.169 -3.407 1.00 0.00 H new ATOM 0 HE2 LYS A 388 3.601 5.742 -1.845 1.00 0.00 H new ATOM 0 HE3 LYS A 388 4.687 6.069 -0.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 3.591 8.077 -1.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 5.191 8.242 -1.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 3.947 7.921 -2.711 1.00 0.00 H new ATOM 789 N ASN A 389 9.826 2.158 -3.499 1.00 0.00 N ATOM 790 CA ASN A 389 11.022 1.764 -4.261 1.00 0.00 C ATOM 791 C ASN A 389 11.062 0.231 -4.474 1.00 0.00 C ATOM 792 O ASN A 389 11.321 -0.233 -5.584 1.00 0.00 O ATOM 793 CB ASN A 389 12.282 2.313 -3.569 1.00 0.00 C ATOM 794 CG ASN A 389 13.540 2.039 -4.375 1.00 0.00 C ATOM 795 OD1 ASN A 389 14.193 1.015 -4.225 1.00 0.00 O ATOM 796 ND2 ASN A 389 13.923 2.937 -5.254 1.00 0.00 N ATOM 0 H ASN A 389 10.029 2.547 -2.578 1.00 0.00 H new ATOM 0 HA ASN A 389 10.983 2.203 -5.258 1.00 0.00 H new ATOM 0 HB2 ASN A 389 12.174 3.387 -3.419 1.00 0.00 H new ATOM 0 HB3 ASN A 389 12.379 1.862 -2.582 1.00 0.00 H new ATOM 0 HD21 ASN A 389 14.763 2.780 -5.810 1.00 0.00 H new ATOM 0 HD22 ASN A 389 13.380 3.791 -5.380 1.00 0.00 H new ATOM 803 N VAL A 390 10.722 -0.556 -3.446 1.00 0.00 N ATOM 804 CA VAL A 390 10.583 -2.028 -3.506 1.00 0.00 C ATOM 805 C VAL A 390 9.487 -2.425 -4.502 1.00 0.00 C ATOM 806 O VAL A 390 9.657 -3.390 -5.241 1.00 0.00 O ATOM 807 CB VAL A 390 10.255 -2.578 -2.103 1.00 0.00 C ATOM 808 CG1 VAL A 390 9.789 -4.040 -2.074 1.00 0.00 C ATOM 809 CG2 VAL A 390 11.456 -2.473 -1.161 1.00 0.00 C ATOM 0 H VAL A 390 10.529 -0.180 -2.518 1.00 0.00 H new ATOM 0 HA VAL A 390 11.526 -2.457 -3.846 1.00 0.00 H new ATOM 0 HB VAL A 390 9.427 -1.949 -1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 390 9.583 -4.336 -1.045 1.00 0.00 H new ATOM 0 HG12 VAL A 390 8.883 -4.145 -2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 390 10.570 -4.679 -2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 390 11.187 -2.870 -0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 390 12.289 -3.046 -1.568 1.00 0.00 H new ATOM 0 HG23 VAL A 390 11.749 -1.428 -1.060 1.00 0.00 H new ATOM 819 N LEU A 391 8.376 -1.686 -4.563 1.00 0.00 N ATOM 820 CA LEU A 391 7.276 -1.935 -5.502 1.00 0.00 C ATOM 821 C LEU A 391 7.731 -1.656 -6.950 1.00 0.00 C ATOM 822 O LEU A 391 7.574 -2.500 -7.837 1.00 0.00 O ATOM 823 CB LEU A 391 6.059 -1.087 -5.081 1.00 0.00 C ATOM 824 CG LEU A 391 4.687 -1.655 -5.486 1.00 0.00 C ATOM 825 CD1 LEU A 391 3.605 -0.704 -4.984 1.00 0.00 C ATOM 826 CD2 LEU A 391 4.483 -1.829 -6.991 1.00 0.00 C ATOM 0 H LEU A 391 8.212 -0.885 -3.953 1.00 0.00 H new ATOM 0 HA LEU A 391 6.979 -2.983 -5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 391 6.078 -0.967 -3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 391 6.164 -0.092 -5.514 1.00 0.00 H new ATOM 0 HG LEU A 391 4.632 -2.649 -5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 391 2.624 -1.090 -5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 391 3.668 -0.621 -3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 391 3.748 0.279 -5.432 1.00 0.00 H new ATOM 0 HD21 LEU A 391 3.489 -2.234 -7.179 1.00 0.00 H new ATOM 0 HD22 LEU A 391 4.581 -0.863 -7.486 1.00 0.00 H new ATOM 0 HD23 LEU A 391 5.234 -2.515 -7.383 1.00 0.00 H new ATOM 838 N ASN A 392 8.376 -0.504 -7.177 1.00 0.00 N ATOM 839 CA ASN A 392 8.965 -0.135 -8.469 1.00 0.00 C ATOM 840 C ASN A 392 9.962 -1.220 -8.930 1.00 0.00 C ATOM 841 O ASN A 392 9.974 -1.629 -10.096 1.00 0.00 O ATOM 842 CB ASN A 392 9.615 1.252 -8.336 1.00 0.00 C ATOM 843 CG ASN A 392 10.271 1.702 -9.631 1.00 0.00 C ATOM 844 OD1 ASN A 392 11.467 1.549 -9.834 1.00 0.00 O ATOM 845 ND2 ASN A 392 9.517 2.263 -10.549 1.00 0.00 N ATOM 0 H ASN A 392 8.505 0.207 -6.457 1.00 0.00 H new ATOM 0 HA ASN A 392 8.196 -0.075 -9.239 1.00 0.00 H new ATOM 0 HB2 ASN A 392 8.859 1.980 -8.041 1.00 0.00 H new ATOM 0 HB3 ASN A 392 10.361 1.228 -7.542 1.00 0.00 H new ATOM 0 HD21 ASN A 392 9.929 2.570 -11.430 1.00 0.00 H new ATOM 0 HD22 ASN A 392 8.519 2.391 -10.381 1.00 0.00 H new ATOM 852 N HIS A 393 10.739 -1.758 -7.985 1.00 0.00 N ATOM 853 CA HIS A 393 11.631 -2.873 -8.255 1.00 0.00 C ATOM 854 C HIS A 393 10.828 -4.127 -8.595 1.00 0.00 C ATOM 855 O HIS A 393 11.108 -4.718 -9.627 1.00 0.00 O ATOM 856 CB HIS A 393 12.577 -3.122 -7.081 1.00 0.00 C ATOM 857 CG HIS A 393 13.480 -4.305 -7.337 1.00 0.00 C ATOM 858 ND1 HIS A 393 13.118 -5.615 -7.179 1.00 0.00 N flip ATOM 859 CD2 HIS A 393 14.707 -4.302 -7.963 1.00 0.00 C flip ATOM 860 CE1 HIS A 393 14.110 -6.422 -7.749 1.00 0.00 C flip ATOM 861 NE2 HIS A 393 15.062 -5.582 -8.191 1.00 0.00 N flip ATOM 0 H HIS A 393 10.763 -1.430 -7.019 1.00 0.00 H new ATOM 0 HA HIS A 393 12.245 -2.617 -9.118 1.00 0.00 H new ATOM 0 HB2 HIS A 393 13.182 -2.233 -6.906 1.00 0.00 H new ATOM 0 HB3 HIS A 393 11.996 -3.296 -6.175 1.00 0.00 H new ATOM 0 HD2 HIS A 393 15.284 -3.427 -8.225 1.00 0.00 H new ATOM 0 HE1 HIS A 393 14.110 -7.500 -7.819 1.00 0.00 H new ATOM 0 HE2 HIS A 393 15.932 -5.873 -8.637 1.00 0.00 H new ATOM 869 N MET A 394 9.828 -4.530 -7.795 1.00 0.00 N ATOM 870 CA MET A 394 9.030 -5.736 -8.079 1.00 0.00 C ATOM 871 C MET A 394 8.386 -5.709 -9.470 1.00 0.00 C ATOM 872 O MET A 394 8.211 -6.773 -10.067 1.00 0.00 O ATOM 873 CB MET A 394 8.002 -6.091 -6.977 1.00 0.00 C ATOM 874 CG MET A 394 6.599 -5.457 -7.081 1.00 0.00 C ATOM 875 SD MET A 394 5.204 -6.544 -6.664 1.00 0.00 S ATOM 876 CE MET A 394 5.520 -6.814 -4.904 1.00 0.00 C ATOM 0 H MET A 394 9.552 -4.038 -6.945 1.00 0.00 H new ATOM 0 HA MET A 394 9.757 -6.548 -8.075 1.00 0.00 H new ATOM 0 HB2 MET A 394 7.882 -7.174 -6.966 1.00 0.00 H new ATOM 0 HB3 MET A 394 8.429 -5.808 -6.015 1.00 0.00 H new ATOM 0 HG2 MET A 394 6.565 -4.587 -6.425 1.00 0.00 H new ATOM 0 HG3 MET A 394 6.460 -5.094 -8.099 1.00 0.00 H new ATOM 0 HE1 MET A 394 4.694 -7.376 -4.468 1.00 0.00 H new ATOM 0 HE2 MET A 394 6.446 -7.377 -4.783 1.00 0.00 H new ATOM 0 HE3 MET A 394 5.611 -5.852 -4.399 1.00 0.00 H new ATOM 886 N THR A 395 8.049 -4.522 -9.997 1.00 0.00 N ATOM 887 CA THR A 395 7.501 -4.415 -11.368 1.00 0.00 C ATOM 888 C THR A 395 8.612 -4.474 -12.430 1.00 0.00 C ATOM 889 O THR A 395 8.453 -5.139 -13.457 1.00 0.00 O ATOM 890 CB THR A 395 6.521 -3.241 -11.552 1.00 0.00 C ATOM 891 OG1 THR A 395 5.901 -3.332 -12.816 1.00 0.00 O ATOM 892 CG2 THR A 395 7.122 -1.847 -11.437 1.00 0.00 C ATOM 0 H THR A 395 8.142 -3.632 -9.507 1.00 0.00 H new ATOM 0 HA THR A 395 6.882 -5.298 -11.526 1.00 0.00 H new ATOM 0 HB THR A 395 5.821 -3.346 -10.723 1.00 0.00 H new ATOM 0 HG1 THR A 395 5.277 -2.585 -12.929 1.00 0.00 H new ATOM 0 HG21 THR A 395 6.341 -1.101 -11.584 1.00 0.00 H new ATOM 0 HG22 THR A 395 7.563 -1.721 -10.448 1.00 0.00 H new ATOM 0 HG23 THR A 395 7.893 -1.719 -12.197 1.00 0.00 H new ATOM 900 N HIS A 396 9.772 -3.849 -12.176 1.00 0.00 N ATOM 901 CA HIS A 396 10.947 -3.912 -13.064 1.00 0.00 C ATOM 902 C HIS A 396 11.666 -5.292 -13.050 1.00 0.00 C ATOM 903 O HIS A 396 12.415 -5.617 -13.977 1.00 0.00 O ATOM 904 CB HIS A 396 11.910 -2.789 -12.645 1.00 0.00 C ATOM 905 CG HIS A 396 13.082 -2.591 -13.577 1.00 0.00 C ATOM 906 ND1 HIS A 396 14.396 -2.920 -13.322 1.00 0.00 N ATOM 907 CD2 HIS A 396 13.043 -2.030 -14.825 1.00 0.00 C ATOM 908 CE1 HIS A 396 15.132 -2.570 -14.392 1.00 0.00 C ATOM 909 NE2 HIS A 396 14.349 -2.020 -15.339 1.00 0.00 N ATOM 0 H HIS A 396 9.924 -3.281 -11.343 1.00 0.00 H new ATOM 0 HA HIS A 396 10.608 -3.780 -14.092 1.00 0.00 H new ATOM 0 HB2 HIS A 396 11.352 -1.855 -12.579 1.00 0.00 H new ATOM 0 HB3 HIS A 396 12.289 -3.006 -11.646 1.00 0.00 H new ATOM 0 HD2 HIS A 396 12.161 -1.660 -15.327 1.00 0.00 H new ATOM 0 HE1 HIS A 396 16.199 -2.710 -14.479 1.00 0.00 H new ATOM 0 HE2 HIS A 396 14.646 -1.667 -16.249 1.00 0.00 H new ATOM 917 N CYS A 397 11.455 -6.084 -11.993 1.00 0.00 N ATOM 918 CA CYS A 397 12.045 -7.390 -11.698 1.00 0.00 C ATOM 919 C CYS A 397 11.899 -8.432 -12.827 1.00 0.00 C ATOM 920 O CYS A 397 10.962 -8.389 -13.632 1.00 0.00 O ATOM 921 CB CYS A 397 11.389 -7.887 -10.397 1.00 0.00 C ATOM 922 SG CYS A 397 12.426 -9.085 -9.525 1.00 0.00 S ATOM 0 H CYS A 397 10.808 -5.799 -11.257 1.00 0.00 H new ATOM 0 HA CYS A 397 13.123 -7.267 -11.595 1.00 0.00 H new ATOM 0 HB2 CYS A 397 11.191 -7.037 -9.744 1.00 0.00 H new ATOM 0 HB3 CYS A 397 10.426 -8.343 -10.628 1.00 0.00 H new ATOM 0 HG CYS A 397 12.282 -8.931 -8.242 1.00 0.00 H new ATOM 927 N GLN A 398 12.817 -9.404 -12.839 1.00 0.00 N ATOM 928 CA GLN A 398 12.859 -10.515 -13.805 1.00 0.00 C ATOM 929 C GLN A 398 12.960 -11.902 -13.138 1.00 0.00 C ATOM 930 O GLN A 398 13.379 -12.885 -13.755 1.00 0.00 O ATOM 931 CB GLN A 398 13.957 -10.268 -14.862 1.00 0.00 C ATOM 932 CG GLN A 398 13.724 -8.990 -15.691 1.00 0.00 C ATOM 933 CD GLN A 398 14.765 -8.795 -16.794 1.00 0.00 C ATOM 934 OE1 GLN A 398 15.205 -9.722 -17.466 1.00 0.00 O ATOM 935 NE2 GLN A 398 15.208 -7.577 -17.036 1.00 0.00 N ATOM 0 H GLN A 398 13.575 -9.444 -12.158 1.00 0.00 H new ATOM 0 HA GLN A 398 11.900 -10.534 -14.323 1.00 0.00 H new ATOM 0 HB2 GLN A 398 14.924 -10.199 -14.363 1.00 0.00 H new ATOM 0 HB3 GLN A 398 14.006 -11.125 -15.533 1.00 0.00 H new ATOM 0 HG2 GLN A 398 12.731 -9.030 -16.139 1.00 0.00 H new ATOM 0 HG3 GLN A 398 13.739 -8.125 -15.028 1.00 0.00 H new ATOM 0 HE21 GLN A 398 14.858 -6.789 -16.491 1.00 0.00 H new ATOM 0 HE22 GLN A 398 15.901 -7.422 -17.768 1.00 0.00 H new ATOM 944 N ALA A 399 12.529 -11.982 -11.878 1.00 0.00 N ATOM 945 CA ALA A 399 12.452 -13.214 -11.093 1.00 0.00 C ATOM 946 C ALA A 399 11.309 -13.200 -10.075 1.00 0.00 C ATOM 947 O ALA A 399 10.650 -14.220 -9.877 1.00 0.00 O ATOM 948 CB ALA A 399 13.758 -13.425 -10.318 1.00 0.00 C ATOM 0 H ALA A 399 12.213 -11.163 -11.359 1.00 0.00 H new ATOM 0 HA ALA A 399 12.274 -14.018 -11.807 1.00 0.00 H new ATOM 0 HB1 ALA A 399 13.691 -14.345 -9.736 1.00 0.00 H new ATOM 0 HB2 ALA A 399 14.589 -13.498 -11.019 1.00 0.00 H new ATOM 0 HB3 ALA A 399 13.923 -12.582 -9.647 1.00 0.00 H new ATOM 954 N PRO A 400 11.109 -12.055 -9.416 1.00 0.00 N ATOM 955 CA PRO A 400 10.148 -11.812 -8.333 1.00 0.00 C ATOM 956 C PRO A 400 10.315 -12.712 -7.093 1.00 0.00 C ATOM 957 O PRO A 400 10.725 -12.250 -6.031 1.00 0.00 O ATOM 961 N LYS A 401 10.031 -14.013 -7.232 1.00 0.00 N ATOM 962 CA LYS A 401 10.176 -15.053 -6.189 1.00 0.00 C ATOM 963 C LYS A 401 11.622 -15.530 -6.054 1.00 0.00 C ATOM 964 O LYS A 401 12.160 -15.626 -4.953 1.00 0.00 O ATOM 965 CB LYS A 401 9.230 -16.235 -6.469 1.00 0.00 C ATOM 966 CG LYS A 401 7.754 -15.836 -6.321 1.00 0.00 C ATOM 967 CD LYS A 401 6.844 -17.057 -6.507 1.00 0.00 C ATOM 968 CE LYS A 401 5.377 -16.653 -6.330 1.00 0.00 C ATOM 969 NZ LYS A 401 4.465 -17.808 -6.527 1.00 0.00 N ATOM 0 H LYS A 401 9.678 -14.393 -8.110 1.00 0.00 H new ATOM 0 HA LYS A 401 9.897 -14.603 -5.236 1.00 0.00 H new ATOM 0 HB2 LYS A 401 9.405 -16.609 -7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 401 9.456 -17.051 -5.783 1.00 0.00 H new ATOM 0 HG2 LYS A 401 7.587 -15.398 -5.337 1.00 0.00 H new ATOM 0 HG3 LYS A 401 7.502 -15.072 -7.057 1.00 0.00 H new ATOM 0 HD2 LYS A 401 6.994 -17.484 -7.498 1.00 0.00 H new ATOM 0 HD3 LYS A 401 7.106 -17.829 -5.784 1.00 0.00 H new ATOM 0 HE2 LYS A 401 5.231 -16.239 -5.332 1.00 0.00 H new ATOM 0 HE3 LYS A 401 5.127 -15.866 -7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 3.480 -17.498 -6.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 4.587 -18.187 -7.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 4.688 -18.549 -5.832 1.00 0.00 H new ATOM 983 N ALA A 402 12.258 -15.776 -7.202 1.00 0.00 N ATOM 984 CA ALA A 402 13.663 -16.164 -7.338 1.00 0.00 C ATOM 985 C ALA A 402 14.617 -14.974 -7.074 1.00 0.00 C ATOM 986 O ALA A 402 15.828 -15.164 -6.946 1.00 0.00 O ATOM 987 CB ALA A 402 13.886 -16.872 -8.683 1.00 0.00 C ATOM 0 H ALA A 402 11.785 -15.707 -8.103 1.00 0.00 H new ATOM 0 HA ALA A 402 13.914 -16.889 -6.564 1.00 0.00 H new ATOM 0 HB1 ALA A 402 14.934 -17.157 -8.775 1.00 0.00 H new ATOM 0 HB2 ALA A 402 13.262 -17.764 -8.732 1.00 0.00 H new ATOM 0 HB3 ALA A 402 13.620 -16.198 -9.497 1.00 0.00 H new ATOM 993 N CYS A 403 14.067 -13.754 -6.965 1.00 0.00 N ATOM 994 CA CYS A 403 14.730 -12.496 -6.640 1.00 0.00 C ATOM 995 C CYS A 403 14.932 -12.426 -5.127 1.00 0.00 C ATOM 996 O CYS A 403 14.453 -11.533 -4.430 1.00 0.00 O ATOM 997 CB CYS A 403 13.964 -11.275 -7.123 1.00 0.00 C ATOM 998 SG CYS A 403 15.071 -9.827 -7.122 1.00 0.00 S ATOM 0 H CYS A 403 13.067 -13.619 -7.115 1.00 0.00 H new ATOM 0 HA CYS A 403 15.687 -12.480 -7.161 1.00 0.00 H new ATOM 0 HB2 CYS A 403 13.576 -11.449 -8.126 1.00 0.00 H new ATOM 0 HB3 CYS A 403 13.106 -11.091 -6.477 1.00 0.00 H new ATOM 0 HG CYS A 403 15.526 -9.630 -5.920 1.00 0.00 H new ATOM 1003 N GLN A 404 15.612 -13.459 -4.661 1.00 0.00 N ATOM 1004 CA GLN A 404 16.096 -13.800 -3.320 1.00 0.00 C ATOM 1005 C GLN A 404 16.552 -12.617 -2.440 1.00 0.00 C ATOM 1006 O GLN A 404 16.762 -12.812 -1.240 1.00 0.00 O ATOM 1007 CB GLN A 404 17.188 -14.879 -3.446 1.00 0.00 C ATOM 1008 CG GLN A 404 18.447 -14.392 -4.186 1.00 0.00 C ATOM 1009 CD GLN A 404 19.502 -15.492 -4.320 1.00 0.00 C ATOM 1010 OE1 GLN A 404 19.269 -16.561 -4.872 1.00 0.00 O ATOM 1011 NE2 GLN A 404 20.706 -15.284 -3.828 1.00 0.00 N ATOM 0 H GLN A 404 15.882 -14.195 -5.313 1.00 0.00 H new ATOM 0 HA GLN A 404 15.233 -14.182 -2.774 1.00 0.00 H new ATOM 0 HB2 GLN A 404 17.470 -15.218 -2.449 1.00 0.00 H new ATOM 0 HB3 GLN A 404 16.777 -15.741 -3.972 1.00 0.00 H new ATOM 0 HG2 GLN A 404 18.168 -14.036 -5.178 1.00 0.00 H new ATOM 0 HG3 GLN A 404 18.875 -13.544 -3.652 1.00 0.00 H new ATOM 0 HE21 GLN A 404 20.922 -14.401 -3.364 1.00 0.00 H new ATOM 0 HE22 GLN A 404 21.422 -16.005 -3.911 1.00 0.00 H new ATOM 1020 N VAL A 405 16.673 -11.401 -2.995 1.00 0.00 N ATOM 1021 CA VAL A 405 16.922 -10.169 -2.225 1.00 0.00 C ATOM 1022 C VAL A 405 15.789 -10.056 -1.199 1.00 0.00 C ATOM 1023 O VAL A 405 14.623 -10.021 -1.588 1.00 0.00 O ATOM 1024 CB VAL A 405 16.923 -8.917 -3.124 1.00 0.00 C ATOM 1025 CG1 VAL A 405 17.351 -7.686 -2.318 1.00 0.00 C ATOM 1026 CG2 VAL A 405 17.874 -9.052 -4.314 1.00 0.00 C ATOM 0 H VAL A 405 16.600 -11.242 -4.000 1.00 0.00 H new ATOM 0 HA VAL A 405 17.903 -10.223 -1.753 1.00 0.00 H new ATOM 0 HB VAL A 405 15.905 -8.807 -3.498 1.00 0.00 H new ATOM 0 HG11 VAL A 405 17.348 -6.809 -2.965 1.00 0.00 H new ATOM 0 HG12 VAL A 405 16.656 -7.532 -1.493 1.00 0.00 H new ATOM 0 HG13 VAL A 405 18.355 -7.841 -1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 405 17.836 -8.143 -4.915 1.00 0.00 H new ATOM 0 HG22 VAL A 405 18.890 -9.206 -3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 405 17.574 -9.903 -4.925 1.00 0.00 H new ATOM 1036 N ALA A 406 16.115 -10.060 0.097 1.00 0.00 N ATOM 1037 CA ALA A 406 15.158 -10.113 1.209 1.00 0.00 C ATOM 1038 C ALA A 406 13.833 -9.361 0.986 1.00 0.00 C ATOM 1039 O ALA A 406 12.759 -9.969 0.964 1.00 0.00 O ATOM 1040 CB ALA A 406 15.875 -9.636 2.476 1.00 0.00 C ATOM 0 H ALA A 406 17.084 -10.025 0.413 1.00 0.00 H new ATOM 0 HA ALA A 406 14.836 -11.150 1.302 1.00 0.00 H new ATOM 0 HB1 ALA A 406 15.184 -9.666 3.318 1.00 0.00 H new ATOM 0 HB2 ALA A 406 16.725 -10.287 2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 406 16.227 -8.615 2.332 1.00 0.00 H new ATOM 1046 N HIS A 407 13.917 -8.043 0.794 1.00 0.00 N ATOM 1047 CA HIS A 407 12.745 -7.194 0.588 1.00 0.00 C ATOM 1048 C HIS A 407 11.916 -7.577 -0.647 1.00 0.00 C ATOM 1049 O HIS A 407 10.696 -7.671 -0.522 1.00 0.00 O ATOM 1050 CB HIS A 407 13.147 -5.708 0.581 1.00 0.00 C ATOM 1051 CG HIS A 407 14.263 -5.324 -0.364 1.00 0.00 C ATOM 1052 ND1 HIS A 407 15.565 -5.047 -0.005 1.00 0.00 N ATOM 1053 CD2 HIS A 407 14.163 -5.092 -1.711 1.00 0.00 C ATOM 1054 CE1 HIS A 407 16.231 -4.656 -1.105 1.00 0.00 C ATOM 1055 NE2 HIS A 407 15.416 -4.673 -2.176 1.00 0.00 N ATOM 0 H HIS A 407 14.801 -7.535 0.777 1.00 0.00 H new ATOM 0 HA HIS A 407 12.081 -7.365 1.435 1.00 0.00 H new ATOM 0 HB2 HIS A 407 12.267 -5.116 0.331 1.00 0.00 H new ATOM 0 HB3 HIS A 407 13.442 -5.428 1.592 1.00 0.00 H new ATOM 0 HD2 HIS A 407 13.272 -5.212 -2.310 1.00 0.00 H new ATOM 0 HE1 HIS A 407 17.272 -4.369 -1.126 1.00 0.00 H new ATOM 0 HE2 HIS A 407 15.662 -4.429 -3.135 1.00 0.00 H new ATOM 1063 N CYS A 408 12.534 -7.837 -1.808 1.00 0.00 N ATOM 1064 CA CYS A 408 11.797 -8.186 -3.027 1.00 0.00 C ATOM 1065 C CYS A 408 11.179 -9.594 -2.955 1.00 0.00 C ATOM 1066 O CYS A 408 9.972 -9.735 -3.182 1.00 0.00 O ATOM 1067 CB CYS A 408 12.746 -8.048 -4.231 1.00 0.00 C ATOM 1068 SG CYS A 408 11.888 -8.412 -5.797 1.00 0.00 S ATOM 0 H CYS A 408 13.547 -7.811 -1.927 1.00 0.00 H new ATOM 0 HA CYS A 408 10.958 -7.499 -3.139 1.00 0.00 H new ATOM 0 HB2 CYS A 408 13.152 -7.037 -4.263 1.00 0.00 H new ATOM 0 HB3 CYS A 408 13.591 -8.726 -4.111 1.00 0.00 H new ATOM 0 HG CYS A 408 11.982 -7.387 -6.591 1.00 0.00 H new ATOM 1073 N ALA A 409 11.965 -10.609 -2.576 1.00 0.00 N ATOM 1074 CA ALA A 409 11.486 -11.982 -2.406 1.00 0.00 C ATOM 1075 C ALA A 409 10.270 -12.014 -1.460 1.00 0.00 C ATOM 1076 O ALA A 409 9.231 -12.593 -1.799 1.00 0.00 O ATOM 1077 CB ALA A 409 12.632 -12.878 -1.915 1.00 0.00 C ATOM 0 H ALA A 409 12.959 -10.497 -2.378 1.00 0.00 H new ATOM 0 HA ALA A 409 11.152 -12.374 -3.367 1.00 0.00 H new ATOM 0 HB1 ALA A 409 12.269 -13.898 -1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 409 13.441 -12.867 -2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 409 13.001 -12.505 -0.960 1.00 0.00 H new ATOM 1083 N SER A 410 10.363 -11.329 -0.308 1.00 0.00 N ATOM 1084 CA SER A 410 9.235 -11.210 0.621 1.00 0.00 C ATOM 1085 C SER A 410 8.051 -10.503 -0.041 1.00 0.00 C ATOM 1086 O SER A 410 6.963 -11.073 -0.075 1.00 0.00 O ATOM 1087 CB SER A 410 9.638 -10.470 1.902 1.00 0.00 C ATOM 1088 OG SER A 410 10.486 -11.289 2.692 1.00 0.00 O ATOM 0 H SER A 410 11.210 -10.850 -0.001 1.00 0.00 H new ATOM 0 HA SER A 410 8.933 -12.222 0.892 1.00 0.00 H new ATOM 0 HB2 SER A 410 10.149 -9.541 1.649 1.00 0.00 H new ATOM 0 HB3 SER A 410 8.748 -10.200 2.470 1.00 0.00 H new ATOM 0 HG SER A 410 11.416 -11.163 2.411 1.00 0.00 H new ATOM 1094 N SER A 411 8.245 -9.301 -0.604 1.00 0.00 N ATOM 1095 CA SER A 411 7.196 -8.504 -1.267 1.00 0.00 C ATOM 1096 C SER A 411 6.347 -9.321 -2.246 1.00 0.00 C ATOM 1097 O SER A 411 5.111 -9.327 -2.174 1.00 0.00 O ATOM 1098 CB SER A 411 7.834 -7.278 -1.972 1.00 0.00 C ATOM 1099 OG SER A 411 8.325 -7.527 -3.273 1.00 0.00 O ATOM 0 H SER A 411 9.156 -8.843 -0.612 1.00 0.00 H new ATOM 0 HA SER A 411 6.511 -8.162 -0.491 1.00 0.00 H new ATOM 0 HB2 SER A 411 7.092 -6.482 -2.026 1.00 0.00 H new ATOM 0 HB3 SER A 411 8.653 -6.909 -1.355 1.00 0.00 H new ATOM 0 HG SER A 411 8.849 -8.355 -3.272 1.00 0.00 H new ATOM 1105 N ARG A 412 7.014 -10.064 -3.133 1.00 0.00 N ATOM 1106 CA ARG A 412 6.366 -10.909 -4.127 1.00 0.00 C ATOM 1107 C ARG A 412 5.689 -12.107 -3.482 1.00 0.00 C ATOM 1108 O ARG A 412 4.581 -12.421 -3.900 1.00 0.00 O ATOM 1109 CB ARG A 412 7.383 -11.296 -5.209 1.00 0.00 C ATOM 1110 CG ARG A 412 7.461 -10.205 -6.295 1.00 0.00 C ATOM 1111 CD ARG A 412 6.487 -10.496 -7.444 1.00 0.00 C ATOM 1112 NE ARG A 412 6.697 -9.589 -8.592 1.00 0.00 N ATOM 1113 CZ ARG A 412 6.156 -9.707 -9.792 1.00 0.00 C ATOM 1114 NH1 ARG A 412 5.322 -10.664 -10.089 1.00 0.00 N ATOM 1115 NH2 ARG A 412 6.452 -8.861 -10.733 1.00 0.00 N ATOM 0 H ARG A 412 8.033 -10.093 -3.178 1.00 0.00 H new ATOM 0 HA ARG A 412 5.565 -10.352 -4.613 1.00 0.00 H new ATOM 0 HB2 ARG A 412 8.365 -11.439 -4.758 1.00 0.00 H new ATOM 0 HB3 ARG A 412 7.098 -12.246 -5.660 1.00 0.00 H new ATOM 0 HG2 ARG A 412 7.230 -9.234 -5.856 1.00 0.00 H new ATOM 0 HG3 ARG A 412 8.478 -10.146 -6.683 1.00 0.00 H new ATOM 0 HD2 ARG A 412 6.610 -11.529 -7.771 1.00 0.00 H new ATOM 0 HD3 ARG A 412 5.463 -10.395 -7.085 1.00 0.00 H new ATOM 0 HE ARG A 412 7.320 -8.795 -8.444 1.00 0.00 H new ATOM 0 HH11 ARG A 412 5.066 -11.355 -9.384 1.00 0.00 H new ATOM 0 HH12 ARG A 412 4.925 -10.722 -11.027 1.00 0.00 H new ATOM 0 HH21 ARG A 412 7.106 -8.100 -10.548 1.00 0.00 H new ATOM 0 HH22 ARG A 412 6.031 -8.958 -11.657 1.00 0.00 H new ATOM 1129 N GLN A 413 6.272 -12.738 -2.457 1.00 0.00 N ATOM 1130 CA GLN A 413 5.611 -13.845 -1.745 1.00 0.00 C ATOM 1131 C GLN A 413 4.310 -13.407 -1.038 1.00 0.00 C ATOM 1132 O GLN A 413 3.298 -14.096 -1.179 1.00 0.00 O ATOM 1133 CB GLN A 413 6.582 -14.527 -0.768 1.00 0.00 C ATOM 1134 CG GLN A 413 7.599 -15.442 -1.474 1.00 0.00 C ATOM 1135 CD GLN A 413 6.968 -16.728 -2.013 1.00 0.00 C ATOM 1136 OE1 GLN A 413 6.373 -16.769 -3.081 1.00 0.00 O ATOM 1137 NE2 GLN A 413 7.068 -17.832 -1.301 1.00 0.00 N ATOM 0 H GLN A 413 7.198 -12.504 -2.100 1.00 0.00 H new ATOM 0 HA GLN A 413 5.317 -14.576 -2.499 1.00 0.00 H new ATOM 0 HB2 GLN A 413 7.118 -13.763 -0.204 1.00 0.00 H new ATOM 0 HB3 GLN A 413 6.012 -15.114 -0.048 1.00 0.00 H new ATOM 0 HG2 GLN A 413 8.061 -14.897 -2.297 1.00 0.00 H new ATOM 0 HG3 GLN A 413 8.395 -15.699 -0.776 1.00 0.00 H new ATOM 0 HE21 GLN A 413 7.560 -17.820 -0.408 1.00 0.00 H new ATOM 0 HE22 GLN A 413 6.653 -18.699 -1.643 1.00 0.00 H new ATOM 1146 N ILE A 414 4.274 -12.258 -0.345 1.00 0.00 N ATOM 1147 CA ILE A 414 3.025 -11.748 0.260 1.00 0.00 C ATOM 1148 C ILE A 414 1.946 -11.348 -0.749 1.00 0.00 C ATOM 1149 O ILE A 414 0.780 -11.754 -0.640 1.00 0.00 O ATOM 1150 CB ILE A 414 3.232 -10.661 1.343 1.00 0.00 C ATOM 1151 CG1 ILE A 414 4.439 -9.703 1.299 1.00 0.00 C ATOM 1152 CG2 ILE A 414 2.897 -11.252 2.720 1.00 0.00 C ATOM 1153 CD1 ILE A 414 5.551 -10.030 2.308 1.00 0.00 C ATOM 0 H ILE A 414 5.089 -11.665 -0.188 1.00 0.00 H new ATOM 0 HA ILE A 414 2.638 -12.623 0.782 1.00 0.00 H new ATOM 0 HB ILE A 414 2.516 -9.888 1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 414 4.862 -9.718 0.294 1.00 0.00 H new ATOM 0 HG13 ILE A 414 4.087 -8.688 1.482 1.00 0.00 H new ATOM 0 HG21 ILE A 414 3.041 -10.491 3.487 1.00 0.00 H new ATOM 0 HG22 ILE A 414 1.859 -11.586 2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 414 3.553 -12.099 2.922 1.00 0.00 H new ATOM 0 HD11 ILE A 414 6.359 -9.306 2.206 1.00 0.00 H new ATOM 0 HD12 ILE A 414 5.149 -9.985 3.320 1.00 0.00 H new ATOM 0 HD13 ILE A 414 5.935 -11.031 2.114 1.00 0.00 H new ATOM 1165 N ILE A 415 2.332 -10.582 -1.765 1.00 0.00 N ATOM 1166 CA ILE A 415 1.376 -10.206 -2.812 1.00 0.00 C ATOM 1167 C ILE A 415 0.915 -11.445 -3.609 1.00 0.00 C ATOM 1168 O ILE A 415 -0.251 -11.526 -3.997 1.00 0.00 O ATOM 1169 CB ILE A 415 1.954 -9.013 -3.594 1.00 0.00 C ATOM 1170 CG1 ILE A 415 1.464 -7.722 -2.887 1.00 0.00 C ATOM 1171 CG2 ILE A 415 1.626 -9.065 -5.090 1.00 0.00 C ATOM 1172 CD1 ILE A 415 1.868 -6.406 -3.562 1.00 0.00 C ATOM 0 H ILE A 415 3.275 -10.215 -1.889 1.00 0.00 H new ATOM 0 HA ILE A 415 0.432 -9.838 -2.410 1.00 0.00 H new ATOM 0 HB ILE A 415 3.044 -9.041 -3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 415 0.377 -7.756 -2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 415 1.847 -7.719 -1.867 1.00 0.00 H new ATOM 0 HG21 ILE A 415 2.060 -8.198 -5.588 1.00 0.00 H new ATOM 0 HG22 ILE A 415 2.040 -9.976 -5.522 1.00 0.00 H new ATOM 0 HG23 ILE A 415 0.545 -9.058 -5.226 1.00 0.00 H new ATOM 0 HD11 ILE A 415 1.475 -5.567 -2.988 1.00 0.00 H new ATOM 0 HD12 ILE A 415 2.955 -6.338 -3.606 1.00 0.00 H new ATOM 0 HD13 ILE A 415 1.461 -6.376 -4.573 1.00 0.00 H new ATOM 1184 N SER A 416 1.770 -12.463 -3.768 1.00 0.00 N ATOM 1185 CA SER A 416 1.422 -13.745 -4.394 1.00 0.00 C ATOM 1186 C SER A 416 0.439 -14.506 -3.503 1.00 0.00 C ATOM 1187 O SER A 416 -0.485 -15.117 -4.041 1.00 0.00 O ATOM 1188 CB SER A 416 2.646 -14.646 -4.591 1.00 0.00 C ATOM 1189 OG SER A 416 3.236 -14.398 -5.853 1.00 0.00 O ATOM 0 H SER A 416 2.741 -12.418 -3.459 1.00 0.00 H new ATOM 0 HA SER A 416 0.988 -13.510 -5.366 1.00 0.00 H new ATOM 0 HB2 SER A 416 3.373 -14.463 -3.799 1.00 0.00 H new ATOM 0 HB3 SER A 416 2.352 -15.693 -4.518 1.00 0.00 H new ATOM 0 HG SER A 416 3.897 -13.680 -5.769 1.00 0.00 H new ATOM 1195 N HIS A 417 0.589 -14.451 -2.166 1.00 0.00 N ATOM 1196 CA HIS A 417 -0.382 -15.048 -1.243 1.00 0.00 C ATOM 1197 C HIS A 417 -1.754 -14.449 -1.553 1.00 0.00 C ATOM 1198 O HIS A 417 -2.653 -15.197 -1.919 1.00 0.00 O ATOM 1199 CB HIS A 417 -0.026 -14.864 0.257 1.00 0.00 C ATOM 1200 CG HIS A 417 -1.256 -14.912 1.154 1.00 0.00 C ATOM 1201 ND1 HIS A 417 -2.032 -13.825 1.489 1.00 0.00 N flip ATOM 1202 CD2 HIS A 417 -2.025 -16.030 1.397 1.00 0.00 C flip ATOM 1203 CE1 HIS A 417 -3.313 -14.287 1.827 1.00 0.00 C flip ATOM 1204 NE2 HIS A 417 -3.249 -15.628 1.788 1.00 0.00 N flip ATOM 0 H HIS A 417 1.377 -13.997 -1.705 1.00 0.00 H new ATOM 0 HA HIS A 417 -0.375 -16.127 -1.401 1.00 0.00 H new ATOM 0 HB2 HIS A 417 0.673 -15.644 0.560 1.00 0.00 H new ATOM 0 HB3 HIS A 417 0.483 -13.910 0.393 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -1.701 -17.055 1.292 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -4.177 -13.685 2.070 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -4.020 -16.254 2.022 1.00 0.00 H new ATOM 1212 N TRP A 418 -1.912 -13.120 -1.460 1.00 0.00 N ATOM 1213 CA TRP A 418 -3.220 -12.482 -1.700 1.00 0.00 C ATOM 1214 C TRP A 418 -3.759 -12.764 -3.118 1.00 0.00 C ATOM 1215 O TRP A 418 -4.961 -12.995 -3.283 1.00 0.00 O ATOM 1216 CB TRP A 418 -3.098 -10.996 -1.341 1.00 0.00 C ATOM 1217 CG TRP A 418 -4.302 -10.087 -1.294 1.00 0.00 C ATOM 1218 CD1 TRP A 418 -5.374 -10.052 -2.114 1.00 0.00 C ATOM 1219 CD2 TRP A 418 -4.502 -8.946 -0.415 1.00 0.00 C ATOM 1220 NE1 TRP A 418 -6.070 -8.875 -1.961 1.00 0.00 N ATOM 1221 CE2 TRP A 418 -5.541 -8.130 -0.950 1.00 0.00 C ATOM 1222 CE3 TRP A 418 -3.868 -8.488 0.749 1.00 0.00 C ATOM 1223 CZ2 TRP A 418 -5.816 -6.847 -0.484 1.00 0.00 C ATOM 1224 CZ3 TRP A 418 -4.149 -7.212 1.253 1.00 0.00 C ATOM 1225 CH2 TRP A 418 -5.067 -6.378 0.596 1.00 0.00 C ATOM 0 H TRP A 418 -1.162 -12.471 -1.223 1.00 0.00 H new ATOM 0 HA TRP A 418 -3.982 -12.919 -1.055 1.00 0.00 H new ATOM 0 HB2 TRP A 418 -2.627 -10.947 -0.359 1.00 0.00 H new ATOM 0 HB3 TRP A 418 -2.399 -10.556 -2.052 1.00 0.00 H new ATOM 0 HD1 TRP A 418 -5.648 -10.842 -2.798 1.00 0.00 H new ATOM 0 HE1 TRP A 418 -6.872 -8.598 -2.527 1.00 0.00 H new ATOM 0 HE3 TRP A 418 -3.159 -9.123 1.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 418 -6.581 -6.237 -0.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 418 -3.657 -6.868 2.151 1.00 0.00 H new ATOM 0 HH2 TRP A 418 -5.195 -5.359 0.931 1.00 0.00 H new ATOM 1236 N LYS A 419 -2.892 -12.836 -4.144 1.00 0.00 N ATOM 1237 CA LYS A 419 -3.315 -13.192 -5.515 1.00 0.00 C ATOM 1238 C LYS A 419 -3.920 -14.602 -5.584 1.00 0.00 C ATOM 1239 O LYS A 419 -4.975 -14.785 -6.190 1.00 0.00 O ATOM 1240 CB LYS A 419 -2.128 -13.074 -6.489 1.00 0.00 C ATOM 1241 CG LYS A 419 -1.833 -11.620 -6.882 1.00 0.00 C ATOM 1242 CD LYS A 419 -0.499 -11.522 -7.640 1.00 0.00 C ATOM 1243 CE LYS A 419 -0.151 -10.083 -8.034 1.00 0.00 C ATOM 1244 NZ LYS A 419 -1.085 -9.518 -9.047 1.00 0.00 N ATOM 0 H LYS A 419 -1.893 -12.653 -4.052 1.00 0.00 H new ATOM 0 HA LYS A 419 -4.093 -12.487 -5.808 1.00 0.00 H new ATOM 0 HB2 LYS A 419 -1.241 -13.510 -6.030 1.00 0.00 H new ATOM 0 HB3 LYS A 419 -2.340 -13.654 -7.387 1.00 0.00 H new ATOM 0 HG2 LYS A 419 -2.640 -11.236 -7.505 1.00 0.00 H new ATOM 0 HG3 LYS A 419 -1.796 -10.997 -5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 419 0.299 -11.928 -7.018 1.00 0.00 H new ATOM 0 HD3 LYS A 419 -0.549 -12.139 -8.537 1.00 0.00 H new ATOM 0 HE2 LYS A 419 -0.165 -9.454 -7.144 1.00 0.00 H new ATOM 0 HE3 LYS A 419 0.865 -10.055 -8.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 419 -0.802 -8.544 -9.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 419 -1.055 -10.099 -9.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 419 -2.052 -9.516 -8.665 1.00 0.00 H new ATOM 1258 N ASN A 420 -3.277 -15.587 -4.959 1.00 0.00 N ATOM 1259 CA ASN A 420 -3.722 -16.992 -4.931 1.00 0.00 C ATOM 1260 C ASN A 420 -4.837 -17.299 -3.904 1.00 0.00 C ATOM 1261 O ASN A 420 -5.571 -18.277 -4.067 1.00 0.00 O ATOM 1262 CB ASN A 420 -2.497 -17.890 -4.682 1.00 0.00 C ATOM 1263 CG ASN A 420 -1.606 -17.999 -5.907 1.00 0.00 C ATOM 1264 OD1 ASN A 420 -1.790 -18.851 -6.766 1.00 0.00 O ATOM 1265 ND2 ASN A 420 -0.620 -17.142 -6.042 1.00 0.00 N ATOM 0 H ASN A 420 -2.410 -15.433 -4.444 1.00 0.00 H new ATOM 0 HA ASN A 420 -4.175 -17.198 -5.901 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -1.919 -17.490 -3.849 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -2.832 -18.885 -4.389 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -0.012 -17.189 -6.860 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -0.462 -16.430 -5.329 1.00 0.00 H new ATOM 1272 N CYS A 421 -4.941 -16.501 -2.839 1.00 0.00 N ATOM 1273 CA CYS A 421 -5.868 -16.639 -1.719 1.00 0.00 C ATOM 1274 C CYS A 421 -7.351 -16.703 -2.121 1.00 0.00 C ATOM 1275 O CYS A 421 -7.785 -16.133 -3.125 1.00 0.00 O ATOM 1276 CB CYS A 421 -5.603 -15.442 -0.785 1.00 0.00 C ATOM 1277 SG CYS A 421 -6.469 -15.552 0.803 1.00 0.00 S ATOM 0 H CYS A 421 -4.337 -15.686 -2.731 1.00 0.00 H new ATOM 0 HA CYS A 421 -5.686 -17.597 -1.231 1.00 0.00 H new ATOM 0 HB2 CYS A 421 -4.531 -15.367 -0.600 1.00 0.00 H new ATOM 0 HB3 CYS A 421 -5.904 -14.524 -1.290 1.00 0.00 H new ATOM 0 HG CYS A 421 -6.090 -16.626 1.431 1.00 0.00 H new ATOM 1282 N THR A 422 -8.156 -17.296 -1.237 1.00 0.00 N ATOM 1283 CA THR A 422 -9.630 -17.303 -1.282 1.00 0.00 C ATOM 1284 C THR A 422 -10.215 -15.943 -0.843 1.00 0.00 C ATOM 1285 O THR A 422 -11.413 -15.860 -0.593 1.00 0.00 O ATOM 1286 CB THR A 422 -10.195 -18.435 -0.398 1.00 0.00 C ATOM 1287 OG1 THR A 422 -9.555 -18.460 0.864 1.00 0.00 O ATOM 1288 CG2 THR A 422 -9.988 -19.804 -1.047 1.00 0.00 C ATOM 0 H THR A 422 -7.789 -17.807 -0.434 1.00 0.00 H new ATOM 0 HA THR A 422 -9.927 -17.480 -2.316 1.00 0.00 H new ATOM 0 HB THR A 422 -11.260 -18.235 -0.280 1.00 0.00 H new ATOM 0 HG1 THR A 422 -9.931 -19.184 1.407 1.00 0.00 H new ATOM 0 HG21 THR A 422 -10.397 -20.579 -0.399 1.00 0.00 H new ATOM 0 HG22 THR A 422 -10.497 -19.831 -2.011 1.00 0.00 H new ATOM 0 HG23 THR A 422 -8.922 -19.979 -1.195 1.00 0.00 H new ATOM 1296 N ARG A 423 -9.358 -14.904 -0.779 1.00 0.00 N ATOM 1297 CA ARG A 423 -9.388 -13.468 -0.399 1.00 0.00 C ATOM 1298 C ARG A 423 -10.660 -12.752 0.093 1.00 0.00 C ATOM 1299 O ARG A 423 -10.538 -11.708 0.729 1.00 0.00 O ATOM 1300 CB ARG A 423 -8.736 -12.701 -1.570 1.00 0.00 C ATOM 1301 CG ARG A 423 -9.595 -12.671 -2.848 1.00 0.00 C ATOM 1302 CD ARG A 423 -8.804 -12.152 -4.061 1.00 0.00 C ATOM 1303 NE ARG A 423 -8.059 -13.228 -4.753 1.00 0.00 N ATOM 1304 CZ ARG A 423 -8.549 -14.071 -5.650 1.00 0.00 C ATOM 1305 NH1 ARG A 423 -9.813 -14.093 -5.975 1.00 0.00 N ATOM 1306 NH2 ARG A 423 -7.775 -14.914 -6.268 1.00 0.00 N ATOM 0 H ARG A 423 -8.400 -15.109 -1.062 1.00 0.00 H new ATOM 0 HA ARG A 423 -8.861 -13.461 0.555 1.00 0.00 H new ATOM 0 HB2 ARG A 423 -8.535 -11.677 -1.254 1.00 0.00 H new ATOM 0 HB3 ARG A 423 -7.774 -13.158 -1.801 1.00 0.00 H new ATOM 0 HG2 ARG A 423 -9.966 -13.674 -3.059 1.00 0.00 H new ATOM 0 HG3 ARG A 423 -10.466 -12.037 -2.685 1.00 0.00 H new ATOM 0 HD2 ARG A 423 -9.491 -11.680 -4.764 1.00 0.00 H new ATOM 0 HD3 ARG A 423 -8.105 -11.383 -3.733 1.00 0.00 H new ATOM 0 HE ARG A 423 -7.072 -13.330 -4.516 1.00 0.00 H new ATOM 0 HH11 ARG A 423 -10.465 -13.445 -5.533 1.00 0.00 H new ATOM 0 HH12 ARG A 423 -10.149 -14.759 -6.671 1.00 0.00 H new ATOM 0 HH21 ARG A 423 -6.776 -14.932 -6.065 1.00 0.00 H new ATOM 0 HH22 ARG A 423 -8.167 -15.557 -6.956 1.00 0.00 H new ATOM 1320 N HIS A 424 -11.861 -13.279 -0.118 1.00 0.00 N ATOM 1321 CA HIS A 424 -13.116 -12.751 0.408 1.00 0.00 C ATOM 1322 C HIS A 424 -13.256 -12.918 1.941 1.00 0.00 C ATOM 1323 O HIS A 424 -14.206 -12.391 2.519 1.00 0.00 O ATOM 1324 CB HIS A 424 -14.313 -13.380 -0.333 1.00 0.00 C ATOM 1325 CG HIS A 424 -14.794 -14.707 0.214 1.00 0.00 C ATOM 1326 ND1 HIS A 424 -14.068 -15.869 0.330 1.00 0.00 N ATOM 1327 CD2 HIS A 424 -16.041 -14.970 0.718 1.00 0.00 C ATOM 1328 CE1 HIS A 424 -14.846 -16.807 0.892 1.00 0.00 C ATOM 1329 NE2 HIS A 424 -16.069 -16.307 1.144 1.00 0.00 N ATOM 0 H HIS A 424 -11.993 -14.119 -0.682 1.00 0.00 H new ATOM 0 HA HIS A 424 -13.108 -11.676 0.225 1.00 0.00 H new ATOM 0 HB2 HIS A 424 -15.144 -12.675 -0.310 1.00 0.00 H new ATOM 0 HB3 HIS A 424 -14.040 -13.516 -1.379 1.00 0.00 H new ATOM 0 HD1 HIS A 424 -13.099 -15.997 0.038 1.00 0.00 H new ATOM 0 HD2 HIS A 424 -16.861 -14.269 0.777 1.00 0.00 H new ATOM 0 HE1 HIS A 424 -14.535 -17.818 1.111 1.00 0.00 H new ATOM 1337 N ASP A 425 -12.362 -13.680 2.598 1.00 0.00 N ATOM 1338 CA ASP A 425 -12.413 -13.987 4.038 1.00 0.00 C ATOM 1339 C ASP A 425 -11.048 -14.275 4.720 1.00 0.00 C ATOM 1340 O ASP A 425 -10.945 -15.195 5.538 1.00 0.00 O ATOM 1341 CB ASP A 425 -13.463 -15.089 4.292 1.00 0.00 C ATOM 1342 CG ASP A 425 -13.049 -16.516 3.873 1.00 0.00 C ATOM 1343 OD1 ASP A 425 -12.213 -16.695 2.955 1.00 0.00 O ATOM 1344 OD2 ASP A 425 -13.595 -17.485 4.459 1.00 0.00 O ATOM 0 H ASP A 425 -11.564 -14.110 2.129 1.00 0.00 H new ATOM 0 HA ASP A 425 -12.723 -13.068 4.535 1.00 0.00 H new ATOM 0 HB2 ASP A 425 -13.704 -15.098 5.355 1.00 0.00 H new ATOM 0 HB3 ASP A 425 -14.377 -14.824 3.760 1.00 0.00 H new ATOM 1349 N CYS A 426 -10.001 -13.485 4.424 1.00 0.00 N ATOM 1350 CA CYS A 426 -8.651 -13.670 4.997 1.00 0.00 C ATOM 1351 C CYS A 426 -8.248 -12.483 5.913 1.00 0.00 C ATOM 1352 O CYS A 426 -8.602 -11.348 5.586 1.00 0.00 O ATOM 1353 CB CYS A 426 -7.716 -13.863 3.804 1.00 0.00 C ATOM 1354 SG CYS A 426 -6.021 -14.324 4.282 1.00 0.00 S ATOM 0 H CYS A 426 -10.065 -12.697 3.779 1.00 0.00 H new ATOM 0 HA CYS A 426 -8.603 -14.538 5.655 1.00 0.00 H new ATOM 0 HB2 CYS A 426 -8.125 -14.635 3.153 1.00 0.00 H new ATOM 0 HB3 CYS A 426 -7.684 -12.941 3.224 1.00 0.00 H new ATOM 0 HG CYS A 426 -5.491 -15.058 3.349 1.00 0.00 H new ATOM 1359 N PRO A 427 -7.522 -12.692 7.038 1.00 0.00 N ATOM 1360 CA PRO A 427 -7.092 -11.674 8.022 1.00 0.00 C ATOM 1361 C PRO A 427 -6.262 -10.479 7.514 1.00 0.00 C ATOM 1362 O PRO A 427 -5.778 -9.690 8.327 1.00 0.00 O ATOM 1363 CB PRO A 427 -6.272 -12.426 9.081 1.00 0.00 C ATOM 1364 CG PRO A 427 -6.724 -13.871 8.955 1.00 0.00 C ATOM 1365 CD PRO A 427 -7.027 -13.987 7.468 1.00 0.00 C ATOM 0 HA PRO A 427 -8.008 -11.203 8.379 1.00 0.00 H new ATOM 0 HB2 PRO A 427 -5.202 -12.327 8.898 1.00 0.00 H new ATOM 0 HB3 PRO A 427 -6.462 -12.036 10.081 1.00 0.00 H new ATOM 0 HG2 PRO A 427 -5.947 -14.569 9.267 1.00 0.00 H new ATOM 0 HG3 PRO A 427 -7.602 -14.077 9.566 1.00 0.00 H new ATOM 0 HD2 PRO A 427 -6.131 -14.263 6.911 1.00 0.00 H new ATOM 0 HD3 PRO A 427 -7.768 -14.765 7.284 1.00 0.00 H new ATOM 1373 N VAL A 428 -6.053 -10.354 6.202 1.00 0.00 N ATOM 1374 CA VAL A 428 -5.252 -9.306 5.555 1.00 0.00 C ATOM 1375 C VAL A 428 -5.987 -8.749 4.321 1.00 0.00 C ATOM 1376 O VAL A 428 -6.297 -7.546 4.272 1.00 0.00 O ATOM 1377 CB VAL A 428 -3.885 -9.899 5.188 1.00 0.00 C ATOM 1378 CG1 VAL A 428 -2.991 -8.756 4.705 1.00 0.00 C ATOM 1379 CG2 VAL A 428 -3.188 -10.596 6.359 1.00 0.00 C ATOM 0 H VAL A 428 -6.454 -11.008 5.530 1.00 0.00 H new ATOM 0 HA VAL A 428 -5.103 -8.468 6.236 1.00 0.00 H new ATOM 0 HB VAL A 428 -4.051 -10.655 4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -2.011 -9.149 4.437 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -3.443 -8.284 3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -2.881 -8.019 5.501 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -2.228 -10.991 6.028 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -3.027 -9.880 7.165 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -3.812 -11.414 6.719 1.00 0.00 H new ATOM 1389 N CYS A 429 -6.360 -9.657 3.405 1.00 0.00 N ATOM 1390 CA CYS A 429 -7.237 -9.420 2.262 1.00 0.00 C ATOM 1391 C CYS A 429 -8.521 -8.686 2.712 1.00 0.00 C ATOM 1392 O CYS A 429 -8.738 -7.560 2.280 1.00 0.00 O ATOM 1393 CB CYS A 429 -7.499 -10.729 1.501 1.00 0.00 C ATOM 1394 SG CYS A 429 -6.094 -11.905 1.599 1.00 0.00 S ATOM 0 H CYS A 429 -6.038 -10.624 3.450 1.00 0.00 H new ATOM 0 HA CYS A 429 -6.745 -8.757 1.551 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -8.393 -11.205 1.904 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -7.703 -10.501 0.455 1.00 0.00 H new ATOM 0 HG CYS A 429 -6.502 -13.096 1.275 1.00 0.00 H new ATOM 1399 N LEU A 430 -9.337 -9.262 3.616 1.00 0.00 N ATOM 1400 CA LEU A 430 -10.572 -8.632 4.108 1.00 0.00 C ATOM 1401 C LEU A 430 -10.373 -7.243 4.744 1.00 0.00 C ATOM 1402 O LEU A 430 -11.020 -6.302 4.278 1.00 0.00 O ATOM 1403 CB LEU A 430 -11.384 -9.538 5.058 1.00 0.00 C ATOM 1404 CG LEU A 430 -12.592 -10.273 4.463 1.00 0.00 C ATOM 1405 CD1 LEU A 430 -13.395 -10.866 5.628 1.00 0.00 C ATOM 1406 CD2 LEU A 430 -13.549 -9.393 3.653 1.00 0.00 C ATOM 0 H LEU A 430 -9.156 -10.179 4.025 1.00 0.00 H new ATOM 0 HA LEU A 430 -11.153 -8.483 3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 430 -10.707 -10.283 5.475 1.00 0.00 H new ATOM 0 HB3 LEU A 430 -11.736 -8.927 5.889 1.00 0.00 H new ATOM 0 HG LEU A 430 -12.190 -11.016 3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 430 -14.263 -11.397 5.238 1.00 0.00 H new ATOM 0 HD12 LEU A 430 -12.767 -11.559 6.187 1.00 0.00 H new ATOM 0 HD13 LEU A 430 -13.726 -10.064 6.287 1.00 0.00 H new ATOM 0 HD21 LEU A 430 -14.370 -10.002 3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 430 -13.947 -8.604 4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 430 -13.012 -8.946 2.816 1.00 0.00 H new ATOM 1418 N PRO A 431 -9.517 -7.064 5.774 1.00 0.00 N ATOM 1419 CA PRO A 431 -9.263 -5.754 6.370 1.00 0.00 C ATOM 1420 C PRO A 431 -8.965 -4.664 5.347 1.00 0.00 C ATOM 1421 O PRO A 431 -9.651 -3.640 5.318 1.00 0.00 O ATOM 1422 CB PRO A 431 -8.051 -5.959 7.272 1.00 0.00 C ATOM 1423 CG PRO A 431 -8.277 -7.376 7.774 1.00 0.00 C ATOM 1424 CD PRO A 431 -8.724 -8.062 6.484 1.00 0.00 C ATOM 0 HA PRO A 431 -10.151 -5.411 6.900 1.00 0.00 H new ATOM 0 HB2 PRO A 431 -7.113 -5.863 6.725 1.00 0.00 H new ATOM 0 HB3 PRO A 431 -8.020 -5.236 8.087 1.00 0.00 H new ATOM 0 HG2 PRO A 431 -7.370 -7.819 8.186 1.00 0.00 H new ATOM 0 HG3 PRO A 431 -9.038 -7.423 8.553 1.00 0.00 H new ATOM 0 HD2 PRO A 431 -7.867 -8.379 5.890 1.00 0.00 H new ATOM 0 HD3 PRO A 431 -9.313 -8.954 6.696 1.00 0.00 H new ATOM 1432 N LEU A 432 -7.970 -4.882 4.481 1.00 0.00 N ATOM 1433 CA LEU A 432 -7.631 -3.874 3.471 1.00 0.00 C ATOM 1434 C LEU A 432 -8.732 -3.703 2.418 1.00 0.00 C ATOM 1435 O LEU A 432 -8.916 -2.601 1.899 1.00 0.00 O ATOM 1436 CB LEU A 432 -6.327 -4.255 2.792 1.00 0.00 C ATOM 1437 CG LEU A 432 -5.113 -3.656 3.529 1.00 0.00 C ATOM 1438 CD1 LEU A 432 -3.884 -4.554 3.452 1.00 0.00 C ATOM 1439 CD2 LEU A 432 -4.737 -2.291 2.946 1.00 0.00 C ATOM 0 H LEU A 432 -7.397 -5.726 4.457 1.00 0.00 H new ATOM 0 HA LEU A 432 -7.526 -2.919 3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 432 -6.236 -5.341 2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 432 -6.337 -3.905 1.760 1.00 0.00 H new ATOM 0 HG LEU A 432 -5.416 -3.557 4.571 1.00 0.00 H new ATOM 0 HD11 LEU A 432 -3.057 -4.086 3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 432 -4.110 -5.519 3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 432 -3.605 -4.700 2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 432 -3.878 -1.890 3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 432 -4.485 -2.403 1.891 1.00 0.00 H new ATOM 0 HD23 LEU A 432 -5.580 -1.607 3.048 1.00 0.00 H new