USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 438 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 443 LYS NZ :NH3+ -120:sc= -0.85 (180deg=-4.88!) USER MOD Set 1.2: A 459 TYR OH : rot 180:sc= -0.197 USER MOD Set 2.1: A 434 CYS SG : rot -139:sc= -0.454 USER MOD Set 2.2: A 436 THR OG1 : rot 168:sc= -1.1 USER MOD Set 2.3: A 439 CYS SG : rot -69:sc= -0.541 USER MOD Set 2.4: A 463 HIS : no HD1:sc= -1.39 K(o=-13,f=-16) USER MOD Set 2.5: A 465 HIS : no HE2:sc= -9.22! C(o=-13!,f=-15!) USER MOD Set 3.1: A 419 GLN : amide:sc= 0 X(o=0,f=0.4) USER MOD Set 3.2: A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 412 TYR OH : rot 180:sc= 0 USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 417 TYR OH : rot 180:sc= 0 USER MOD Single : A 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 423 LYS NZ :NH3+ -160:sc= -0.0285 (180deg=-0.196) USER MOD Single : A 425 ASN : amide:sc= -8.12! C(o=-8.1!,f=-9.5!) USER MOD Single : A 427 TYR OH : rot 38:sc= -0.583 USER MOD Single : A 431 TYR OH : rot 180:sc= 0 USER MOD Single : A 432 TYR OH : rot 150:sc= -1.28 USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 435 THR OG1 : rot 180:sc= 0 USER MOD Single : A 444 HIS : no HE2:sc= 0.507 K(o=0.51,f=-4!) USER MOD Single : A 450 THR OG1 : rot 180:sc= 0.0346 USER MOD Single : A 453 LYS NZ :NH3+ -107:sc= -0.943 (180deg=-3.28!) USER MOD Single : A 457 THR OG1 : rot 180:sc= 0 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 462 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 464 ASN : amide:sc= -0.178 K(o=-0.18,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 70 N TYR A 412 8.069 9.065 -9.300 1.00 0.00 N ATOM 71 CA TYR A 412 6.835 8.707 -9.983 1.00 0.00 C ATOM 72 C TYR A 412 5.643 8.832 -9.040 1.00 0.00 C ATOM 73 O TYR A 412 5.814 8.974 -7.831 1.00 0.00 O ATOM 74 CB TYR A 412 6.934 7.277 -10.518 1.00 0.00 C ATOM 75 CG TYR A 412 8.104 7.067 -11.451 1.00 0.00 C ATOM 76 CD1 TYR A 412 8.299 7.899 -12.546 1.00 0.00 C ATOM 77 CD2 TYR A 412 9.016 6.039 -11.236 1.00 0.00 C ATOM 78 CE1 TYR A 412 9.367 7.713 -13.401 1.00 0.00 C ATOM 79 CE2 TYR A 412 10.086 5.848 -12.087 1.00 0.00 C ATOM 80 CZ TYR A 412 10.258 6.687 -13.169 1.00 0.00 C ATOM 81 OH TYR A 412 11.323 6.500 -14.020 1.00 0.00 O ATOM 0 HA TYR A 412 6.687 9.393 -10.817 1.00 0.00 H new ATOM 0 HB2 TYR A 412 7.020 6.588 -9.678 1.00 0.00 H new ATOM 0 HB3 TYR A 412 6.011 7.028 -11.042 1.00 0.00 H new ATOM 0 HD1 TYR A 412 7.604 8.704 -12.732 1.00 0.00 H new ATOM 0 HD2 TYR A 412 8.885 5.380 -10.390 1.00 0.00 H new ATOM 0 HE1 TYR A 412 9.504 8.369 -14.248 1.00 0.00 H new ATOM 0 HE2 TYR A 412 10.786 5.045 -11.907 1.00 0.00 H new ATOM 0 HH TYR A 412 11.855 5.736 -13.715 1.00 0.00 H new ATOM 91 N ARG A 413 4.438 8.793 -9.598 1.00 0.00 N ATOM 92 CA ARG A 413 3.221 8.911 -8.798 1.00 0.00 C ATOM 93 C ARG A 413 2.863 7.578 -8.145 1.00 0.00 C ATOM 94 O ARG A 413 2.651 6.577 -8.831 1.00 0.00 O ATOM 95 CB ARG A 413 2.059 9.399 -9.667 1.00 0.00 C ATOM 96 CG ARG A 413 1.036 10.231 -8.908 1.00 0.00 C ATOM 97 CD ARG A 413 1.449 11.693 -8.836 1.00 0.00 C ATOM 98 NE ARG A 413 1.092 12.426 -10.049 1.00 0.00 N ATOM 99 CZ ARG A 413 -0.138 12.861 -10.316 1.00 0.00 C ATOM 100 NH1 ARG A 413 -1.128 12.634 -9.463 1.00 0.00 N ATOM 101 NH2 ARG A 413 -0.378 13.528 -11.437 1.00 0.00 N ATOM 0 H ARG A 413 4.276 8.681 -10.599 1.00 0.00 H new ATOM 0 HA ARG A 413 3.405 9.640 -8.009 1.00 0.00 H new ATOM 0 HB2 ARG A 413 2.457 9.991 -10.491 1.00 0.00 H new ATOM 0 HB3 ARG A 413 1.559 8.536 -10.107 1.00 0.00 H new ATOM 0 HG2 ARG A 413 0.065 10.150 -9.397 1.00 0.00 H new ATOM 0 HG3 ARG A 413 0.919 9.835 -7.899 1.00 0.00 H new ATOM 0 HD2 ARG A 413 0.971 12.162 -7.976 1.00 0.00 H new ATOM 0 HD3 ARG A 413 2.525 11.758 -8.678 1.00 0.00 H new ATOM 0 HE ARG A 413 1.827 12.615 -10.730 1.00 0.00 H new ATOM 0 HH11 ARG A 413 -0.949 12.124 -8.598 1.00 0.00 H new ATOM 0 HH12 ARG A 413 -2.068 12.969 -9.672 1.00 0.00 H new ATOM 0 HH21 ARG A 413 0.380 13.708 -12.095 1.00 0.00 H new ATOM 0 HH22 ARG A 413 -1.320 13.861 -11.641 1.00 0.00 H new ATOM 115 N TRP A 414 2.798 7.574 -6.815 1.00 0.00 N ATOM 116 CA TRP A 414 2.465 6.364 -6.065 1.00 0.00 C ATOM 117 C TRP A 414 1.227 6.577 -5.202 1.00 0.00 C ATOM 118 O TRP A 414 1.031 7.653 -4.636 1.00 0.00 O ATOM 119 CB TRP A 414 3.646 5.940 -5.191 1.00 0.00 C ATOM 120 CG TRP A 414 4.919 5.808 -5.960 1.00 0.00 C ATOM 121 CD1 TRP A 414 5.787 6.807 -6.276 1.00 0.00 C ATOM 122 CD2 TRP A 414 5.460 4.609 -6.521 1.00 0.00 C ATOM 123 NE1 TRP A 414 6.837 6.307 -7.010 1.00 0.00 N ATOM 124 CE2 TRP A 414 6.659 4.956 -7.171 1.00 0.00 C ATOM 125 CE3 TRP A 414 5.045 3.276 -6.534 1.00 0.00 C ATOM 126 CZ2 TRP A 414 7.445 4.016 -7.831 1.00 0.00 C ATOM 127 CZ3 TRP A 414 5.828 2.342 -7.189 1.00 0.00 C ATOM 128 CH2 TRP A 414 7.016 2.716 -7.831 1.00 0.00 C ATOM 0 H TRP A 414 2.971 8.395 -6.234 1.00 0.00 H new ATOM 0 HA TRP A 414 2.249 5.572 -6.782 1.00 0.00 H new ATOM 0 HB2 TRP A 414 3.783 6.671 -4.394 1.00 0.00 H new ATOM 0 HB3 TRP A 414 3.415 4.988 -4.714 1.00 0.00 H new ATOM 0 HD1 TRP A 414 5.669 7.842 -5.992 1.00 0.00 H new ATOM 0 HE1 TRP A 414 7.619 6.851 -7.375 1.00 0.00 H new ATOM 0 HE3 TRP A 414 4.130 2.980 -6.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 8.361 4.302 -8.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 5.518 1.307 -7.206 1.00 0.00 H new ATOM 0 HH2 TRP A 414 7.605 1.964 -8.336 1.00 0.00 H new ATOM 139 N ARG A 415 0.395 5.546 -5.109 1.00 0.00 N ATOM 140 CA ARG A 415 -0.826 5.620 -4.315 1.00 0.00 C ATOM 141 C ARG A 415 -0.971 4.398 -3.416 1.00 0.00 C ATOM 142 O ARG A 415 -1.198 3.287 -3.894 1.00 0.00 O ATOM 143 CB ARG A 415 -2.044 5.746 -5.232 1.00 0.00 C ATOM 144 CG ARG A 415 -3.318 6.135 -4.500 1.00 0.00 C ATOM 145 CD ARG A 415 -4.540 5.468 -5.110 1.00 0.00 C ATOM 146 NE ARG A 415 -5.313 6.393 -5.933 1.00 0.00 N ATOM 147 CZ ARG A 415 -6.155 6.010 -6.888 1.00 0.00 C ATOM 148 NH1 ARG A 415 -6.341 4.721 -7.142 1.00 0.00 N ATOM 149 NH2 ARG A 415 -6.814 6.922 -7.592 1.00 0.00 N ATOM 0 H ARG A 415 0.543 4.650 -5.573 1.00 0.00 H new ATOM 0 HA ARG A 415 -0.764 6.503 -3.680 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -1.835 6.490 -6.000 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -2.204 4.796 -5.743 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -3.235 5.854 -3.450 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -3.440 7.218 -4.531 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -4.225 4.619 -5.717 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -5.173 5.074 -4.315 1.00 0.00 H new ATOM 0 HE ARG A 415 -5.201 7.393 -5.765 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -5.837 4.017 -6.603 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -6.988 4.434 -7.876 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -6.674 7.914 -7.400 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -7.461 6.631 -8.325 1.00 0.00 H new ATOM 163 N LYS A 416 -0.839 4.614 -2.111 1.00 0.00 N ATOM 164 CA LYS A 416 -0.957 3.531 -1.137 1.00 0.00 C ATOM 165 C LYS A 416 -2.257 2.754 -1.330 1.00 0.00 C ATOM 166 O LYS A 416 -3.136 3.176 -2.081 1.00 0.00 O ATOM 167 CB LYS A 416 -0.895 4.088 0.289 1.00 0.00 C ATOM 168 CG LYS A 416 -1.604 5.425 0.457 1.00 0.00 C ATOM 169 CD LYS A 416 -0.616 6.569 0.618 1.00 0.00 C ATOM 170 CE LYS A 416 -0.107 6.669 2.049 1.00 0.00 C ATOM 171 NZ LYS A 416 -0.617 7.890 2.738 1.00 0.00 N ATOM 0 H LYS A 416 -0.650 5.529 -1.702 1.00 0.00 H new ATOM 0 HA LYS A 416 -0.121 2.849 -1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -1.339 3.364 0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 416 0.149 4.202 0.580 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -2.239 5.612 -0.409 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -2.258 5.383 1.328 1.00 0.00 H new ATOM 0 HD2 LYS A 416 0.225 6.422 -0.059 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -1.094 7.507 0.334 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -0.413 5.783 2.606 1.00 0.00 H new ATOM 0 HE3 LYS A 416 0.983 6.682 2.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -0.247 7.920 3.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -0.303 8.737 2.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -1.656 7.865 2.764 1.00 0.00 H new ATOM 185 N TYR A 417 -2.376 1.623 -0.642 1.00 0.00 N ATOM 186 CA TYR A 417 -3.574 0.799 -0.737 1.00 0.00 C ATOM 187 C TYR A 417 -3.544 -0.344 0.276 1.00 0.00 C ATOM 188 O TYR A 417 -2.503 -0.969 0.499 1.00 0.00 O ATOM 189 CB TYR A 417 -3.743 0.253 -2.165 1.00 0.00 C ATOM 190 CG TYR A 417 -3.050 -1.072 -2.424 1.00 0.00 C ATOM 191 CD1 TYR A 417 -3.592 -2.266 -1.961 1.00 0.00 C ATOM 192 CD2 TYR A 417 -1.856 -1.126 -3.132 1.00 0.00 C ATOM 193 CE1 TYR A 417 -2.965 -3.475 -2.197 1.00 0.00 C ATOM 194 CE2 TYR A 417 -1.223 -2.331 -3.371 1.00 0.00 C ATOM 195 CZ TYR A 417 -1.781 -3.502 -2.902 1.00 0.00 C ATOM 196 OH TYR A 417 -1.154 -4.703 -3.139 1.00 0.00 O ATOM 0 H TYR A 417 -1.659 1.258 -0.015 1.00 0.00 H new ATOM 0 HA TYR A 417 -4.432 1.429 -0.503 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -4.807 0.137 -2.371 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -3.360 0.991 -2.869 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -4.519 -2.248 -1.407 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -1.415 -0.212 -3.502 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -3.400 -4.393 -1.831 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -0.295 -2.356 -3.923 1.00 0.00 H new ATOM 0 HH TYR A 417 -0.332 -4.548 -3.650 1.00 0.00 H new ATOM 206 N GLY A 418 -4.696 -0.603 0.884 1.00 0.00 N ATOM 207 CA GLY A 418 -4.804 -1.666 1.866 1.00 0.00 C ATOM 208 C GLY A 418 -4.110 -1.330 3.170 1.00 0.00 C ATOM 209 O GLY A 418 -3.559 -0.240 3.326 1.00 0.00 O ATOM 0 H GLY A 418 -5.562 -0.092 0.713 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -5.857 -1.869 2.061 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -4.374 -2.580 1.455 1.00 0.00 H new ATOM 213 N GLN A 419 -4.133 -2.273 4.106 1.00 0.00 N ATOM 214 CA GLN A 419 -3.501 -2.087 5.404 1.00 0.00 C ATOM 215 C GLN A 419 -3.673 -3.339 6.257 1.00 0.00 C ATOM 216 O GLN A 419 -4.792 -3.724 6.594 1.00 0.00 O ATOM 217 CB GLN A 419 -4.091 -0.876 6.128 1.00 0.00 C ATOM 218 CG GLN A 419 -3.322 -0.485 7.378 1.00 0.00 C ATOM 219 CD GLN A 419 -2.407 0.705 7.152 1.00 0.00 C ATOM 220 OE1 GLN A 419 -1.304 0.562 6.624 1.00 0.00 O ATOM 221 NE2 GLN A 419 -2.864 1.886 7.551 1.00 0.00 N ATOM 0 H GLN A 419 -4.586 -3.179 3.987 1.00 0.00 H new ATOM 0 HA GLN A 419 -2.438 -1.908 5.243 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -4.112 -0.028 5.444 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -5.124 -1.092 6.399 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -4.027 -0.250 8.175 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -2.730 -1.335 7.716 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -3.785 1.957 7.984 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -2.294 2.723 7.425 1.00 0.00 H new ATOM 230 N LYS A 420 -2.557 -3.973 6.591 1.00 0.00 N ATOM 231 CA LYS A 420 -2.578 -5.192 7.392 1.00 0.00 C ATOM 232 C LYS A 420 -1.539 -5.126 8.507 1.00 0.00 C ATOM 233 O LYS A 420 -0.517 -4.455 8.373 1.00 0.00 O ATOM 234 CB LYS A 420 -2.301 -6.404 6.501 1.00 0.00 C ATOM 235 CG LYS A 420 -3.055 -7.657 6.914 1.00 0.00 C ATOM 236 CD LYS A 420 -2.130 -8.672 7.570 1.00 0.00 C ATOM 237 CE LYS A 420 -2.509 -10.096 7.201 1.00 0.00 C ATOM 238 NZ LYS A 420 -1.320 -10.993 7.153 1.00 0.00 N ATOM 0 H LYS A 420 -1.624 -3.664 6.320 1.00 0.00 H new ATOM 0 HA LYS A 420 -3.565 -5.289 7.843 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -2.565 -6.155 5.473 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -1.232 -6.615 6.513 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -3.854 -7.391 7.606 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -3.526 -8.105 6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -1.102 -8.478 7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -2.169 -8.554 8.653 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -3.225 -10.481 7.927 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -3.006 -10.100 6.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -1.621 -11.955 6.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -0.648 -10.641 6.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -0.860 -11.010 8.086 1.00 0.00 H new ATOM 252 N VAL A 421 -1.793 -5.842 9.600 1.00 0.00 N ATOM 253 CA VAL A 421 -0.864 -5.881 10.721 1.00 0.00 C ATOM 254 C VAL A 421 -0.321 -7.295 10.897 1.00 0.00 C ATOM 255 O VAL A 421 -1.048 -8.270 10.713 1.00 0.00 O ATOM 256 CB VAL A 421 -1.536 -5.424 12.033 1.00 0.00 C ATOM 257 CG1 VAL A 421 -2.712 -6.326 12.379 1.00 0.00 C ATOM 258 CG2 VAL A 421 -0.524 -5.393 13.170 1.00 0.00 C ATOM 0 H VAL A 421 -2.635 -6.402 9.731 1.00 0.00 H new ATOM 0 HA VAL A 421 -0.048 -5.193 10.498 1.00 0.00 H new ATOM 0 HB VAL A 421 -1.917 -4.413 11.889 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -3.171 -5.986 13.307 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -3.448 -6.289 11.576 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -2.361 -7.350 12.502 1.00 0.00 H new ATOM 0 HG21 VAL A 421 -1.016 -5.068 14.087 1.00 0.00 H new ATOM 0 HG22 VAL A 421 -0.109 -6.390 13.315 1.00 0.00 H new ATOM 0 HG23 VAL A 421 0.279 -4.698 12.924 1.00 0.00 H new ATOM 268 N VAL A 422 0.955 -7.407 11.239 1.00 0.00 N ATOM 269 CA VAL A 422 1.571 -8.714 11.417 1.00 0.00 C ATOM 270 C VAL A 422 2.180 -8.870 12.803 1.00 0.00 C ATOM 271 O VAL A 422 2.750 -7.917 13.359 1.00 0.00 O ATOM 272 CB VAL A 422 2.663 -8.968 10.360 1.00 0.00 C ATOM 273 CG1 VAL A 422 2.037 -9.293 9.011 1.00 0.00 C ATOM 274 CG2 VAL A 422 3.589 -7.767 10.251 1.00 0.00 C ATOM 0 H VAL A 422 1.579 -6.616 11.398 1.00 0.00 H new ATOM 0 HA VAL A 422 0.773 -9.447 11.298 1.00 0.00 H new ATOM 0 HB VAL A 422 3.255 -9.827 10.675 1.00 0.00 H new ATOM 0 HG11 VAL A 422 2.824 -9.469 8.278 1.00 0.00 H new ATOM 0 HG12 VAL A 422 1.419 -10.187 9.102 1.00 0.00 H new ATOM 0 HG13 VAL A 422 1.419 -8.456 8.686 1.00 0.00 H new ATOM 0 HG21 VAL A 422 4.354 -7.964 9.500 1.00 0.00 H new ATOM 0 HG22 VAL A 422 3.013 -6.889 9.960 1.00 0.00 H new ATOM 0 HG23 VAL A 422 4.065 -7.586 11.215 1.00 0.00 H new ATOM 284 N LYS A 423 2.064 -10.088 13.348 1.00 0.00 N ATOM 285 CA LYS A 423 2.608 -10.409 14.662 1.00 0.00 C ATOM 286 C LYS A 423 4.108 -10.645 14.559 1.00 0.00 C ATOM 287 O LYS A 423 4.690 -10.470 13.487 1.00 0.00 O ATOM 288 CB LYS A 423 1.914 -11.644 15.240 1.00 0.00 C ATOM 289 CG LYS A 423 0.583 -11.336 15.909 1.00 0.00 C ATOM 290 CD LYS A 423 0.770 -10.494 17.162 1.00 0.00 C ATOM 291 CE LYS A 423 -0.294 -9.413 17.271 1.00 0.00 C ATOM 292 NZ LYS A 423 -0.132 -8.361 16.230 1.00 0.00 N ATOM 0 H LYS A 423 1.593 -10.869 12.890 1.00 0.00 H new ATOM 0 HA LYS A 423 2.428 -9.568 15.332 1.00 0.00 H new ATOM 0 HB2 LYS A 423 1.751 -12.367 14.440 1.00 0.00 H new ATOM 0 HB3 LYS A 423 2.576 -12.116 15.966 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -0.064 -10.808 15.208 1.00 0.00 H new ATOM 0 HG3 LYS A 423 0.080 -12.268 16.167 1.00 0.00 H new ATOM 0 HD2 LYS A 423 0.730 -11.136 18.042 1.00 0.00 H new ATOM 0 HD3 LYS A 423 1.758 -10.034 17.148 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -1.281 -9.866 17.178 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -0.245 -8.955 18.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -0.632 -7.499 16.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 0.878 -8.149 16.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -0.529 -8.699 15.330 1.00 0.00 H new ATOM 306 N GLY A 424 4.743 -11.025 15.667 1.00 0.00 N ATOM 307 CA GLY A 424 6.183 -11.249 15.651 1.00 0.00 C ATOM 308 C GLY A 424 6.953 -9.993 15.255 1.00 0.00 C ATOM 309 O GLY A 424 8.175 -9.940 15.371 1.00 0.00 O ATOM 0 H GLY A 424 4.292 -11.181 16.569 1.00 0.00 H new ATOM 0 HA2 GLY A 424 6.510 -11.578 16.637 1.00 0.00 H new ATOM 0 HA3 GLY A 424 6.417 -12.053 14.953 1.00 0.00 H new ATOM 313 N ASN A 425 6.212 -8.985 14.801 1.00 0.00 N ATOM 314 CA ASN A 425 6.748 -7.704 14.385 1.00 0.00 C ATOM 315 C ASN A 425 5.603 -6.696 14.407 1.00 0.00 C ATOM 316 O ASN A 425 5.287 -6.080 13.392 1.00 0.00 O ATOM 317 CB ASN A 425 7.342 -7.801 12.976 1.00 0.00 C ATOM 318 CG ASN A 425 8.824 -8.123 12.982 1.00 0.00 C ATOM 319 OD1 ASN A 425 9.393 -8.478 14.011 1.00 0.00 O ATOM 320 ND2 ASN A 425 9.458 -7.998 11.823 1.00 0.00 N ATOM 0 H ASN A 425 5.198 -9.044 14.712 1.00 0.00 H new ATOM 0 HA ASN A 425 7.546 -7.392 15.059 1.00 0.00 H new ATOM 0 HB2 ASN A 425 6.810 -8.570 12.415 1.00 0.00 H new ATOM 0 HB3 ASN A 425 7.182 -6.858 12.454 1.00 0.00 H new ATOM 0 HD21 ASN A 425 10.456 -8.200 11.763 1.00 0.00 H new ATOM 0 HD22 ASN A 425 8.947 -7.700 10.992 1.00 0.00 H new ATOM 327 N PRO A 426 4.948 -6.556 15.580 1.00 0.00 N ATOM 328 CA PRO A 426 3.800 -5.665 15.787 1.00 0.00 C ATOM 329 C PRO A 426 3.852 -4.384 14.969 1.00 0.00 C ATOM 330 O PRO A 426 4.108 -3.307 15.509 1.00 0.00 O ATOM 331 CB PRO A 426 3.915 -5.355 17.272 1.00 0.00 C ATOM 332 CG PRO A 426 4.425 -6.620 17.875 1.00 0.00 C ATOM 333 CD PRO A 426 5.278 -7.287 16.819 1.00 0.00 C ATOM 0 HA PRO A 426 2.863 -6.126 15.475 1.00 0.00 H new ATOM 0 HB2 PRO A 426 4.598 -4.525 17.453 1.00 0.00 H new ATOM 0 HB3 PRO A 426 2.951 -5.073 17.695 1.00 0.00 H new ATOM 0 HG2 PRO A 426 5.009 -6.414 18.772 1.00 0.00 H new ATOM 0 HG3 PRO A 426 3.600 -7.267 18.173 1.00 0.00 H new ATOM 0 HD2 PRO A 426 6.339 -7.211 17.057 1.00 0.00 H new ATOM 0 HD3 PRO A 426 5.046 -8.348 16.730 1.00 0.00 H new ATOM 341 N TYR A 427 3.612 -4.496 13.668 1.00 0.00 N ATOM 342 CA TYR A 427 3.650 -3.323 12.800 1.00 0.00 C ATOM 343 C TYR A 427 2.736 -3.490 11.585 1.00 0.00 C ATOM 344 O TYR A 427 2.693 -4.555 10.971 1.00 0.00 O ATOM 345 CB TYR A 427 5.088 -3.060 12.339 1.00 0.00 C ATOM 346 CG TYR A 427 5.979 -2.478 13.419 1.00 0.00 C ATOM 347 CD1 TYR A 427 6.465 -3.270 14.454 1.00 0.00 C ATOM 348 CD2 TYR A 427 6.335 -1.135 13.402 1.00 0.00 C ATOM 349 CE1 TYR A 427 7.275 -2.742 15.438 1.00 0.00 C ATOM 350 CE2 TYR A 427 7.148 -0.600 14.384 1.00 0.00 C ATOM 351 CZ TYR A 427 7.614 -1.409 15.400 1.00 0.00 C ATOM 352 OH TYR A 427 8.423 -0.883 16.380 1.00 0.00 O ATOM 0 H TYR A 427 3.392 -5.373 13.195 1.00 0.00 H new ATOM 0 HA TYR A 427 3.288 -2.471 13.375 1.00 0.00 H new ATOM 0 HB2 TYR A 427 5.523 -3.995 11.986 1.00 0.00 H new ATOM 0 HB3 TYR A 427 5.068 -2.377 11.490 1.00 0.00 H new ATOM 0 HD1 TYR A 427 6.203 -4.317 14.488 1.00 0.00 H new ATOM 0 HD2 TYR A 427 5.971 -0.499 12.609 1.00 0.00 H new ATOM 0 HE1 TYR A 427 7.641 -3.372 16.235 1.00 0.00 H new ATOM 0 HE2 TYR A 427 7.417 0.446 14.356 1.00 0.00 H new ATOM 0 HH TYR A 427 9.111 -1.537 16.622 1.00 0.00 H new ATOM 362 N PRO A 428 1.994 -2.427 11.221 1.00 0.00 N ATOM 363 CA PRO A 428 1.081 -2.449 10.078 1.00 0.00 C ATOM 364 C PRO A 428 1.793 -2.174 8.757 1.00 0.00 C ATOM 365 O PRO A 428 2.518 -1.188 8.625 1.00 0.00 O ATOM 366 CB PRO A 428 0.111 -1.319 10.404 1.00 0.00 C ATOM 367 CG PRO A 428 0.935 -0.328 11.154 1.00 0.00 C ATOM 368 CD PRO A 428 1.984 -1.114 11.897 1.00 0.00 C ATOM 0 HA PRO A 428 0.609 -3.422 9.944 1.00 0.00 H new ATOM 0 HB2 PRO A 428 -0.309 -0.882 9.498 1.00 0.00 H new ATOM 0 HB3 PRO A 428 -0.726 -1.675 11.004 1.00 0.00 H new ATOM 0 HG2 PRO A 428 1.397 0.387 10.473 1.00 0.00 H new ATOM 0 HG3 PRO A 428 0.317 0.245 11.846 1.00 0.00 H new ATOM 0 HD2 PRO A 428 2.959 -0.630 11.842 1.00 0.00 H new ATOM 0 HD3 PRO A 428 1.736 -1.211 12.954 1.00 0.00 H new ATOM 376 N ARG A 429 1.588 -3.056 7.784 1.00 0.00 N ATOM 377 CA ARG A 429 2.216 -2.913 6.476 1.00 0.00 C ATOM 378 C ARG A 429 1.350 -2.088 5.527 1.00 0.00 C ATOM 379 O ARG A 429 0.141 -1.964 5.716 1.00 0.00 O ATOM 380 CB ARG A 429 2.485 -4.288 5.866 1.00 0.00 C ATOM 381 CG ARG A 429 3.127 -5.270 6.835 1.00 0.00 C ATOM 382 CD ARG A 429 4.035 -6.252 6.111 1.00 0.00 C ATOM 383 NE ARG A 429 3.426 -7.575 5.993 1.00 0.00 N ATOM 384 CZ ARG A 429 3.698 -8.437 5.015 1.00 0.00 C ATOM 385 NH1 ARG A 429 4.580 -8.130 4.072 1.00 0.00 N ATOM 386 NH2 ARG A 429 3.090 -9.614 4.982 1.00 0.00 N ATOM 0 H ARG A 429 0.991 -3.878 7.877 1.00 0.00 H new ATOM 0 HA ARG A 429 3.160 -2.387 6.618 1.00 0.00 H new ATOM 0 HB2 ARG A 429 1.545 -4.707 5.507 1.00 0.00 H new ATOM 0 HB3 ARG A 429 3.134 -4.170 4.998 1.00 0.00 H new ATOM 0 HG2 ARG A 429 3.702 -4.723 7.582 1.00 0.00 H new ATOM 0 HG3 ARG A 429 2.350 -5.817 7.369 1.00 0.00 H new ATOM 0 HD2 ARG A 429 4.265 -5.868 5.117 1.00 0.00 H new ATOM 0 HD3 ARG A 429 4.981 -6.335 6.647 1.00 0.00 H new ATOM 0 HE ARG A 429 2.751 -7.856 6.704 1.00 0.00 H new ATOM 0 HH11 ARG A 429 5.056 -7.228 4.093 1.00 0.00 H new ATOM 0 HH12 ARG A 429 4.782 -8.796 3.327 1.00 0.00 H new ATOM 0 HH21 ARG A 429 2.414 -9.859 5.705 1.00 0.00 H new ATOM 0 HH22 ARG A 429 3.298 -10.275 4.233 1.00 0.00 H new ATOM 400 N SER A 430 1.986 -1.531 4.498 1.00 0.00 N ATOM 401 CA SER A 430 1.289 -0.723 3.503 1.00 0.00 C ATOM 402 C SER A 430 1.725 -1.122 2.096 1.00 0.00 C ATOM 403 O SER A 430 2.890 -1.455 1.874 1.00 0.00 O ATOM 404 CB SER A 430 1.565 0.765 3.737 1.00 0.00 C ATOM 405 OG SER A 430 1.692 1.050 5.119 1.00 0.00 O ATOM 0 H SER A 430 2.988 -1.626 4.332 1.00 0.00 H new ATOM 0 HA SER A 430 0.218 -0.901 3.602 1.00 0.00 H new ATOM 0 HB2 SER A 430 2.479 1.054 3.218 1.00 0.00 H new ATOM 0 HB3 SER A 430 0.755 1.359 3.313 1.00 0.00 H new ATOM 0 HG SER A 430 1.869 2.006 5.241 1.00 0.00 H new ATOM 411 N TYR A 431 0.789 -1.106 1.152 1.00 0.00 N ATOM 412 CA TYR A 431 1.097 -1.487 -0.223 1.00 0.00 C ATOM 413 C TYR A 431 1.013 -0.297 -1.176 1.00 0.00 C ATOM 414 O TYR A 431 -0.076 0.117 -1.571 1.00 0.00 O ATOM 415 CB TYR A 431 0.143 -2.589 -0.685 1.00 0.00 C ATOM 416 CG TYR A 431 0.039 -3.747 0.285 1.00 0.00 C ATOM 417 CD1 TYR A 431 0.938 -4.804 0.231 1.00 0.00 C ATOM 418 CD2 TYR A 431 -0.958 -3.783 1.253 1.00 0.00 C ATOM 419 CE1 TYR A 431 0.848 -5.864 1.114 1.00 0.00 C ATOM 420 CE2 TYR A 431 -1.053 -4.839 2.141 1.00 0.00 C ATOM 421 CZ TYR A 431 -0.149 -5.876 2.067 1.00 0.00 C ATOM 422 OH TYR A 431 -0.241 -6.929 2.946 1.00 0.00 O ATOM 0 H TYR A 431 -0.182 -0.836 1.311 1.00 0.00 H new ATOM 0 HA TYR A 431 2.123 -1.855 -0.241 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -0.848 -2.161 -0.834 1.00 0.00 H new ATOM 0 HB3 TYR A 431 0.477 -2.965 -1.652 1.00 0.00 H new ATOM 0 HD1 TYR A 431 1.721 -4.798 -0.513 1.00 0.00 H new ATOM 0 HD2 TYR A 431 -1.670 -2.973 1.313 1.00 0.00 H new ATOM 0 HE1 TYR A 431 1.555 -6.679 1.058 1.00 0.00 H new ATOM 0 HE2 TYR A 431 -1.832 -4.851 2.889 1.00 0.00 H new ATOM 0 HH TYR A 431 -0.996 -6.783 3.553 1.00 0.00 H new ATOM 432 N TYR A 432 2.172 0.245 -1.547 1.00 0.00 N ATOM 433 CA TYR A 432 2.231 1.381 -2.463 1.00 0.00 C ATOM 434 C TYR A 432 2.359 0.899 -3.903 1.00 0.00 C ATOM 435 O TYR A 432 3.300 0.183 -4.236 1.00 0.00 O ATOM 436 CB TYR A 432 3.429 2.271 -2.131 1.00 0.00 C ATOM 437 CG TYR A 432 3.245 3.127 -0.901 1.00 0.00 C ATOM 438 CD1 TYR A 432 3.203 2.559 0.365 1.00 0.00 C ATOM 439 CD2 TYR A 432 3.121 4.505 -1.008 1.00 0.00 C ATOM 440 CE1 TYR A 432 3.040 3.341 1.491 1.00 0.00 C ATOM 441 CE2 TYR A 432 2.960 5.296 0.114 1.00 0.00 C ATOM 442 CZ TYR A 432 2.919 4.708 1.362 1.00 0.00 C ATOM 443 OH TYR A 432 2.760 5.491 2.482 1.00 0.00 O ATOM 0 H TYR A 432 3.083 -0.085 -1.227 1.00 0.00 H new ATOM 0 HA TYR A 432 1.309 1.952 -2.351 1.00 0.00 H new ATOM 0 HB2 TYR A 432 4.308 1.641 -1.993 1.00 0.00 H new ATOM 0 HB3 TYR A 432 3.633 2.919 -2.983 1.00 0.00 H new ATOM 0 HD1 TYR A 432 3.299 1.489 0.471 1.00 0.00 H new ATOM 0 HD2 TYR A 432 3.151 4.967 -1.984 1.00 0.00 H new ATOM 0 HE1 TYR A 432 3.007 2.884 2.469 1.00 0.00 H new ATOM 0 HE2 TYR A 432 2.867 6.367 0.015 1.00 0.00 H new ATOM 0 HH TYR A 432 3.154 6.374 2.322 1.00 0.00 H new ATOM 453 N LYS A 433 1.418 1.288 -4.758 1.00 0.00 N ATOM 454 CA LYS A 433 1.460 0.879 -6.158 1.00 0.00 C ATOM 455 C LYS A 433 1.533 2.083 -7.093 1.00 0.00 C ATOM 456 O LYS A 433 0.827 3.075 -6.906 1.00 0.00 O ATOM 457 CB LYS A 433 0.245 0.012 -6.502 1.00 0.00 C ATOM 458 CG LYS A 433 -1.073 0.767 -6.516 1.00 0.00 C ATOM 459 CD LYS A 433 -2.117 0.032 -7.339 1.00 0.00 C ATOM 460 CE LYS A 433 -2.999 -0.851 -6.470 1.00 0.00 C ATOM 461 NZ LYS A 433 -4.444 -0.536 -6.645 1.00 0.00 N ATOM 0 H LYS A 433 0.625 1.880 -4.510 1.00 0.00 H new ATOM 0 HA LYS A 433 2.366 0.290 -6.301 1.00 0.00 H new ATOM 0 HB2 LYS A 433 0.402 -0.442 -7.481 1.00 0.00 H new ATOM 0 HB3 LYS A 433 0.177 -0.802 -5.780 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -1.434 0.894 -5.495 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -0.919 1.765 -6.926 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -2.736 0.755 -7.870 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -1.622 -0.579 -8.094 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -2.823 -1.897 -6.719 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -2.723 -0.722 -5.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -5.011 -1.159 -6.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -4.617 0.455 -6.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -4.714 -0.684 -7.638 1.00 0.00 H new ATOM 475 N CYS A 434 2.396 1.984 -8.099 1.00 0.00 N ATOM 476 CA CYS A 434 2.573 3.056 -9.070 1.00 0.00 C ATOM 477 C CYS A 434 1.546 2.951 -10.193 1.00 0.00 C ATOM 478 O CYS A 434 1.262 1.863 -10.695 1.00 0.00 O ATOM 479 CB CYS A 434 3.999 3.019 -9.645 1.00 0.00 C ATOM 480 SG CYS A 434 4.182 3.746 -11.300 1.00 0.00 S ATOM 0 H CYS A 434 2.986 1.168 -8.263 1.00 0.00 H new ATOM 0 HA CYS A 434 2.421 4.007 -8.560 1.00 0.00 H new ATOM 0 HB2 CYS A 434 4.664 3.544 -8.959 1.00 0.00 H new ATOM 0 HB3 CYS A 434 4.332 1.982 -9.682 1.00 0.00 H new ATOM 0 HG CYS A 434 4.976 3.005 -12.014 1.00 0.00 H new ATOM 485 N THR A 435 1.009 4.097 -10.586 1.00 0.00 N ATOM 486 CA THR A 435 0.027 4.165 -11.657 1.00 0.00 C ATOM 487 C THR A 435 0.580 4.988 -12.813 1.00 0.00 C ATOM 488 O THR A 435 1.403 5.880 -12.605 1.00 0.00 O ATOM 489 CB THR A 435 -1.300 4.794 -11.175 1.00 0.00 C ATOM 490 OG1 THR A 435 -1.191 6.225 -11.168 1.00 0.00 O ATOM 491 CG2 THR A 435 -1.663 4.307 -9.778 1.00 0.00 C ATOM 0 H THR A 435 1.240 5.001 -10.174 1.00 0.00 H new ATOM 0 HA THR A 435 -0.176 3.145 -11.984 1.00 0.00 H new ATOM 0 HB THR A 435 -2.087 4.488 -11.865 1.00 0.00 H new ATOM 0 HG1 THR A 435 -2.036 6.616 -10.863 1.00 0.00 H new ATOM 0 HG21 THR A 435 -2.601 4.766 -9.465 1.00 0.00 H new ATOM 0 HG22 THR A 435 -1.775 3.223 -9.788 1.00 0.00 H new ATOM 0 HG23 THR A 435 -0.873 4.583 -9.080 1.00 0.00 H new ATOM 499 N THR A 436 0.128 4.704 -14.028 1.00 0.00 N ATOM 500 CA THR A 436 0.587 5.442 -15.197 1.00 0.00 C ATOM 501 C THR A 436 -0.165 4.986 -16.445 1.00 0.00 C ATOM 502 O THR A 436 -0.401 3.794 -16.624 1.00 0.00 O ATOM 503 CB THR A 436 2.098 5.252 -15.427 1.00 0.00 C ATOM 504 OG1 THR A 436 2.581 4.149 -14.652 1.00 0.00 O ATOM 505 CG2 THR A 436 2.866 6.509 -15.052 1.00 0.00 C ATOM 0 H THR A 436 -0.553 3.971 -14.229 1.00 0.00 H new ATOM 0 HA THR A 436 0.390 6.498 -15.010 1.00 0.00 H new ATOM 0 HB THR A 436 2.255 5.049 -16.486 1.00 0.00 H new ATOM 0 HG1 THR A 436 3.485 3.913 -14.947 1.00 0.00 H new ATOM 0 HG21 THR A 436 3.931 6.350 -15.223 1.00 0.00 H new ATOM 0 HG22 THR A 436 2.521 7.342 -15.664 1.00 0.00 H new ATOM 0 HG23 THR A 436 2.698 6.738 -14.000 1.00 0.00 H new ATOM 513 N PRO A 437 -0.552 5.924 -17.331 1.00 0.00 N ATOM 514 CA PRO A 437 -1.275 5.589 -18.561 1.00 0.00 C ATOM 515 C PRO A 437 -0.552 4.517 -19.372 1.00 0.00 C ATOM 516 O PRO A 437 0.203 4.827 -20.295 1.00 0.00 O ATOM 517 CB PRO A 437 -1.308 6.909 -19.333 1.00 0.00 C ATOM 518 CG PRO A 437 -1.181 7.963 -18.290 1.00 0.00 C ATOM 519 CD PRO A 437 -0.317 7.377 -17.208 1.00 0.00 C ATOM 0 HA PRO A 437 -2.265 5.182 -18.355 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -0.493 6.966 -20.054 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -2.237 7.017 -19.893 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -0.731 8.866 -18.702 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -2.159 8.244 -17.899 1.00 0.00 H new ATOM 0 HD2 PRO A 437 0.734 7.628 -17.353 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -0.600 7.748 -16.223 1.00 0.00 H new ATOM 527 N GLY A 438 -0.780 3.257 -19.020 1.00 0.00 N ATOM 528 CA GLY A 438 -0.139 2.164 -19.722 1.00 0.00 C ATOM 529 C GLY A 438 0.904 1.454 -18.878 1.00 0.00 C ATOM 530 O GLY A 438 1.541 0.507 -19.341 1.00 0.00 O ATOM 0 H GLY A 438 -1.398 2.974 -18.260 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -0.896 1.446 -20.035 1.00 0.00 H new ATOM 0 HA3 GLY A 438 0.332 2.546 -20.628 1.00 0.00 H new ATOM 534 N CYS A 439 1.092 1.910 -17.640 1.00 0.00 N ATOM 535 CA CYS A 439 2.075 1.301 -16.750 1.00 0.00 C ATOM 536 C CYS A 439 1.503 1.071 -15.353 1.00 0.00 C ATOM 537 O CYS A 439 0.637 1.819 -14.885 1.00 0.00 O ATOM 538 CB CYS A 439 3.328 2.182 -16.668 1.00 0.00 C ATOM 539 SG CYS A 439 4.417 1.831 -15.259 1.00 0.00 S ATOM 0 H CYS A 439 0.580 2.693 -17.234 1.00 0.00 H new ATOM 0 HA CYS A 439 2.342 0.329 -17.164 1.00 0.00 H new ATOM 0 HB2 CYS A 439 3.899 2.063 -17.589 1.00 0.00 H new ATOM 0 HB3 CYS A 439 3.018 3.226 -16.618 1.00 0.00 H new ATOM 0 HG CYS A 439 3.829 2.190 -14.156 1.00 0.00 H new ATOM 544 N GLY A 440 2.015 0.035 -14.694 1.00 0.00 N ATOM 545 CA GLY A 440 1.577 -0.298 -13.353 1.00 0.00 C ATOM 546 C GLY A 440 2.602 -1.139 -12.613 1.00 0.00 C ATOM 547 O GLY A 440 2.733 -2.337 -12.866 1.00 0.00 O ATOM 0 H GLY A 440 2.732 -0.584 -15.071 1.00 0.00 H new ATOM 0 HA2 GLY A 440 1.389 0.619 -12.795 1.00 0.00 H new ATOM 0 HA3 GLY A 440 0.632 -0.839 -13.404 1.00 0.00 H new ATOM 551 N VAL A 441 3.319 -0.510 -11.684 1.00 0.00 N ATOM 552 CA VAL A 441 4.330 -1.197 -10.887 1.00 0.00 C ATOM 553 C VAL A 441 3.950 -1.125 -9.416 1.00 0.00 C ATOM 554 O VAL A 441 3.229 -0.217 -9.008 1.00 0.00 O ATOM 555 CB VAL A 441 5.730 -0.568 -11.096 1.00 0.00 C ATOM 556 CG1 VAL A 441 6.662 -0.868 -9.929 1.00 0.00 C ATOM 557 CG2 VAL A 441 6.343 -1.053 -12.399 1.00 0.00 C ATOM 0 H VAL A 441 3.216 0.481 -11.465 1.00 0.00 H new ATOM 0 HA VAL A 441 4.374 -2.237 -11.209 1.00 0.00 H new ATOM 0 HB VAL A 441 5.599 0.513 -11.147 1.00 0.00 H new ATOM 0 HG11 VAL A 441 7.634 -0.410 -10.113 1.00 0.00 H new ATOM 0 HG12 VAL A 441 6.237 -0.462 -9.011 1.00 0.00 H new ATOM 0 HG13 VAL A 441 6.782 -1.947 -9.827 1.00 0.00 H new ATOM 0 HG21 VAL A 441 7.326 -0.601 -12.529 1.00 0.00 H new ATOM 0 HG22 VAL A 441 6.443 -2.138 -12.372 1.00 0.00 H new ATOM 0 HG23 VAL A 441 5.700 -0.769 -13.232 1.00 0.00 H new ATOM 567 N ARG A 442 4.412 -2.079 -8.616 1.00 0.00 N ATOM 568 CA ARG A 442 4.081 -2.088 -7.198 1.00 0.00 C ATOM 569 C ARG A 442 5.316 -1.889 -6.323 1.00 0.00 C ATOM 570 O ARG A 442 6.422 -2.294 -6.680 1.00 0.00 O ATOM 571 CB ARG A 442 3.382 -3.397 -6.825 1.00 0.00 C ATOM 572 CG ARG A 442 1.879 -3.371 -7.051 1.00 0.00 C ATOM 573 CD ARG A 442 1.135 -4.042 -5.910 1.00 0.00 C ATOM 574 NE ARG A 442 1.259 -5.498 -5.956 1.00 0.00 N ATOM 575 CZ ARG A 442 0.229 -6.337 -6.076 1.00 0.00 C ATOM 576 NH1 ARG A 442 -1.014 -5.881 -6.163 1.00 0.00 N ATOM 577 NH2 ARG A 442 0.447 -7.645 -6.108 1.00 0.00 N ATOM 0 H ARG A 442 5.010 -2.847 -8.921 1.00 0.00 H new ATOM 0 HA ARG A 442 3.407 -1.251 -7.015 1.00 0.00 H new ATOM 0 HB2 ARG A 442 3.815 -4.209 -7.409 1.00 0.00 H new ATOM 0 HB3 ARG A 442 3.579 -3.618 -5.776 1.00 0.00 H new ATOM 0 HG2 ARG A 442 1.542 -2.339 -7.150 1.00 0.00 H new ATOM 0 HG3 ARG A 442 1.642 -3.875 -7.988 1.00 0.00 H new ATOM 0 HD2 ARG A 442 1.522 -3.675 -4.959 1.00 0.00 H new ATOM 0 HD3 ARG A 442 0.081 -3.766 -5.953 1.00 0.00 H new ATOM 0 HE ARG A 442 2.195 -5.899 -5.892 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -1.192 -4.877 -6.139 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -1.792 -6.535 -6.254 1.00 0.00 H new ATOM 0 HH21 ARG A 442 1.399 -8.005 -6.041 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -0.337 -8.291 -6.200 1.00 0.00 H new ATOM 591 N LYS A 443 5.099 -1.267 -5.168 1.00 0.00 N ATOM 592 CA LYS A 443 6.161 -1.002 -4.203 1.00 0.00 C ATOM 593 C LYS A 443 5.667 -1.330 -2.796 1.00 0.00 C ATOM 594 O LYS A 443 4.518 -1.049 -2.456 1.00 0.00 O ATOM 595 CB LYS A 443 6.600 0.468 -4.285 1.00 0.00 C ATOM 596 CG LYS A 443 7.384 0.955 -3.072 1.00 0.00 C ATOM 597 CD LYS A 443 7.688 2.444 -3.157 1.00 0.00 C ATOM 598 CE LYS A 443 7.384 3.153 -1.843 1.00 0.00 C ATOM 599 NZ LYS A 443 8.552 3.936 -1.349 1.00 0.00 N ATOM 0 H LYS A 443 4.181 -0.932 -4.875 1.00 0.00 H new ATOM 0 HA LYS A 443 7.020 -1.631 -4.435 1.00 0.00 H new ATOM 0 HB2 LYS A 443 7.212 0.604 -5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 443 5.716 1.093 -4.407 1.00 0.00 H new ATOM 0 HG2 LYS A 443 6.814 0.751 -2.165 1.00 0.00 H new ATOM 0 HG3 LYS A 443 8.317 0.397 -2.994 1.00 0.00 H new ATOM 0 HD2 LYS A 443 8.737 2.588 -3.415 1.00 0.00 H new ATOM 0 HD3 LYS A 443 7.099 2.891 -3.958 1.00 0.00 H new ATOM 0 HE2 LYS A 443 6.532 3.819 -1.979 1.00 0.00 H new ATOM 0 HE3 LYS A 443 7.097 2.417 -1.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 8.837 3.581 -0.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 9.345 3.834 -2.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 8.290 4.940 -1.273 1.00 0.00 H new ATOM 613 N HIS A 444 6.527 -1.934 -1.983 1.00 0.00 N ATOM 614 CA HIS A 444 6.147 -2.304 -0.624 1.00 0.00 C ATOM 615 C HIS A 444 6.897 -1.471 0.409 1.00 0.00 C ATOM 616 O HIS A 444 8.064 -1.126 0.220 1.00 0.00 O ATOM 617 CB HIS A 444 6.418 -3.790 -0.382 1.00 0.00 C ATOM 618 CG HIS A 444 5.330 -4.688 -0.882 1.00 0.00 C ATOM 619 ND1 HIS A 444 5.184 -5.030 -2.211 1.00 0.00 N ATOM 620 CD2 HIS A 444 4.329 -5.320 -0.222 1.00 0.00 C ATOM 621 CE1 HIS A 444 4.142 -5.830 -2.347 1.00 0.00 C ATOM 622 NE2 HIS A 444 3.605 -6.022 -1.156 1.00 0.00 N ATOM 0 H HIS A 444 7.484 -2.176 -2.238 1.00 0.00 H new ATOM 0 HA HIS A 444 5.080 -2.108 -0.514 1.00 0.00 H new ATOM 0 HB2 HIS A 444 7.355 -4.063 -0.868 1.00 0.00 H new ATOM 0 HB3 HIS A 444 6.552 -3.957 0.687 1.00 0.00 H new ATOM 0 HD1 HIS A 444 5.787 -4.714 -2.970 1.00 0.00 H new ATOM 0 HD2 HIS A 444 4.136 -5.280 0.840 1.00 0.00 H new ATOM 0 HE1 HIS A 444 3.789 -6.255 -3.275 1.00 0.00 H new ATOM 631 N VAL A 445 6.217 -1.159 1.507 1.00 0.00 N ATOM 632 CA VAL A 445 6.810 -0.376 2.583 1.00 0.00 C ATOM 633 C VAL A 445 6.502 -1.008 3.936 1.00 0.00 C ATOM 634 O VAL A 445 5.339 -1.194 4.292 1.00 0.00 O ATOM 635 CB VAL A 445 6.292 1.075 2.570 1.00 0.00 C ATOM 636 CG1 VAL A 445 7.058 1.928 3.568 1.00 0.00 C ATOM 637 CG2 VAL A 445 6.388 1.665 1.171 1.00 0.00 C ATOM 0 H VAL A 445 5.250 -1.438 1.675 1.00 0.00 H new ATOM 0 HA VAL A 445 7.888 -0.364 2.423 1.00 0.00 H new ATOM 0 HB VAL A 445 5.243 1.067 2.866 1.00 0.00 H new ATOM 0 HG11 VAL A 445 6.676 2.949 3.543 1.00 0.00 H new ATOM 0 HG12 VAL A 445 6.931 1.518 4.570 1.00 0.00 H new ATOM 0 HG13 VAL A 445 8.117 1.930 3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 445 6.018 2.690 1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 445 7.428 1.658 0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 445 5.788 1.070 0.483 1.00 0.00 H new ATOM 647 N GLU A 446 7.548 -1.353 4.682 1.00 0.00 N ATOM 648 CA GLU A 446 7.377 -1.982 5.986 1.00 0.00 C ATOM 649 C GLU A 446 8.288 -1.354 7.034 1.00 0.00 C ATOM 650 O GLU A 446 9.307 -0.748 6.706 1.00 0.00 O ATOM 651 CB GLU A 446 7.673 -3.480 5.888 1.00 0.00 C ATOM 652 CG GLU A 446 6.470 -4.315 5.489 1.00 0.00 C ATOM 653 CD GLU A 446 6.408 -4.570 3.996 1.00 0.00 C ATOM 654 OE1 GLU A 446 6.900 -3.718 3.227 1.00 0.00 O ATOM 655 OE2 GLU A 446 5.864 -5.621 3.595 1.00 0.00 O ATOM 0 H GLU A 446 8.519 -1.208 4.406 1.00 0.00 H new ATOM 0 HA GLU A 446 6.343 -1.828 6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 446 8.470 -3.637 5.161 1.00 0.00 H new ATOM 0 HB3 GLU A 446 8.045 -3.832 6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 446 6.503 -5.269 6.016 1.00 0.00 H new ATOM 0 HG3 GLU A 446 5.559 -3.808 5.806 1.00 0.00 H new ATOM 662 N ARG A 447 7.911 -1.515 8.299 1.00 0.00 N ATOM 663 CA ARG A 447 8.688 -0.977 9.407 1.00 0.00 C ATOM 664 C ARG A 447 9.422 -2.100 10.135 1.00 0.00 C ATOM 665 O ARG A 447 8.983 -3.250 10.123 1.00 0.00 O ATOM 666 CB ARG A 447 7.776 -0.230 10.381 1.00 0.00 C ATOM 667 CG ARG A 447 7.050 0.945 9.748 1.00 0.00 C ATOM 668 CD ARG A 447 5.596 0.609 9.451 1.00 0.00 C ATOM 669 NE ARG A 447 4.788 1.809 9.245 1.00 0.00 N ATOM 670 CZ ARG A 447 4.436 2.644 10.222 1.00 0.00 C ATOM 671 NH1 ARG A 447 4.824 2.416 11.472 1.00 0.00 N ATOM 672 NH2 ARG A 447 3.698 3.709 9.946 1.00 0.00 N ATOM 0 H ARG A 447 7.069 -2.016 8.581 1.00 0.00 H new ATOM 0 HA ARG A 447 9.423 -0.279 9.007 1.00 0.00 H new ATOM 0 HB2 ARG A 447 7.041 -0.926 10.786 1.00 0.00 H new ATOM 0 HB3 ARG A 447 8.371 0.130 11.221 1.00 0.00 H new ATOM 0 HG2 ARG A 447 7.096 1.805 10.416 1.00 0.00 H new ATOM 0 HG3 ARG A 447 7.554 1.231 8.825 1.00 0.00 H new ATOM 0 HD2 ARG A 447 5.544 -0.020 8.563 1.00 0.00 H new ATOM 0 HD3 ARG A 447 5.182 0.030 10.277 1.00 0.00 H new ATOM 0 HE ARG A 447 4.475 2.020 8.297 1.00 0.00 H new ATOM 0 HH11 ARG A 447 5.394 1.598 11.688 1.00 0.00 H new ATOM 0 HH12 ARG A 447 4.552 3.059 12.216 1.00 0.00 H new ATOM 0 HH21 ARG A 447 3.400 3.889 8.987 1.00 0.00 H new ATOM 0 HH22 ARG A 447 3.427 4.349 10.692 1.00 0.00 H new ATOM 686 N ALA A 448 10.541 -1.761 10.766 1.00 0.00 N ATOM 687 CA ALA A 448 11.336 -2.744 11.495 1.00 0.00 C ATOM 688 C ALA A 448 10.817 -2.929 12.920 1.00 0.00 C ATOM 689 O ALA A 448 10.647 -1.961 13.661 1.00 0.00 O ATOM 690 CB ALA A 448 12.798 -2.327 11.506 1.00 0.00 C ATOM 0 H ALA A 448 10.918 -0.814 10.788 1.00 0.00 H new ATOM 0 HA ALA A 448 11.247 -3.703 10.984 1.00 0.00 H new ATOM 0 HB1 ALA A 448 13.383 -3.067 12.052 1.00 0.00 H new ATOM 0 HB2 ALA A 448 13.165 -2.259 10.482 1.00 0.00 H new ATOM 0 HB3 ALA A 448 12.896 -1.356 11.992 1.00 0.00 H new ATOM 696 N ALA A 449 10.553 -4.180 13.287 1.00 0.00 N ATOM 697 CA ALA A 449 10.039 -4.505 14.617 1.00 0.00 C ATOM 698 C ALA A 449 10.792 -3.759 15.716 1.00 0.00 C ATOM 699 O ALA A 449 10.182 -3.159 16.601 1.00 0.00 O ATOM 700 CB ALA A 449 10.106 -6.006 14.858 1.00 0.00 C ATOM 0 H ALA A 449 10.687 -4.989 12.680 1.00 0.00 H new ATOM 0 HA ALA A 449 8.998 -4.182 14.654 1.00 0.00 H new ATOM 0 HB1 ALA A 449 9.720 -6.233 15.852 1.00 0.00 H new ATOM 0 HB2 ALA A 449 9.505 -6.522 14.109 1.00 0.00 H new ATOM 0 HB3 ALA A 449 11.141 -6.340 14.786 1.00 0.00 H new ATOM 706 N THR A 450 12.119 -3.807 15.661 1.00 0.00 N ATOM 707 CA THR A 450 12.945 -3.142 16.663 1.00 0.00 C ATOM 708 C THR A 450 13.377 -1.752 16.202 1.00 0.00 C ATOM 709 O THR A 450 14.465 -1.286 16.541 1.00 0.00 O ATOM 710 CB THR A 450 14.198 -3.975 16.995 1.00 0.00 C ATOM 711 OG1 THR A 450 14.610 -4.720 15.843 1.00 0.00 O ATOM 712 CG2 THR A 450 13.919 -4.929 18.148 1.00 0.00 C ATOM 0 H THR A 450 12.644 -4.297 14.937 1.00 0.00 H new ATOM 0 HA THR A 450 12.331 -3.042 17.558 1.00 0.00 H new ATOM 0 HB THR A 450 14.995 -3.293 17.290 1.00 0.00 H new ATOM 0 HG1 THR A 450 15.408 -5.245 16.061 1.00 0.00 H new ATOM 0 HG21 THR A 450 14.816 -5.508 18.367 1.00 0.00 H new ATOM 0 HG22 THR A 450 13.631 -4.358 19.031 1.00 0.00 H new ATOM 0 HG23 THR A 450 13.109 -5.605 17.873 1.00 0.00 H new ATOM 720 N ASP A 451 12.517 -1.093 15.434 1.00 0.00 N ATOM 721 CA ASP A 451 12.812 0.245 14.935 1.00 0.00 C ATOM 722 C ASP A 451 11.657 0.780 14.091 1.00 0.00 C ATOM 723 O ASP A 451 11.605 0.549 12.883 1.00 0.00 O ATOM 724 CB ASP A 451 14.098 0.236 14.104 1.00 0.00 C ATOM 725 CG ASP A 451 14.784 1.589 14.087 1.00 0.00 C ATOM 726 OD1 ASP A 451 14.120 2.586 13.736 1.00 0.00 O ATOM 727 OD2 ASP A 451 15.986 1.651 14.424 1.00 0.00 O ATOM 0 H ASP A 451 11.612 -1.462 15.144 1.00 0.00 H new ATOM 0 HA ASP A 451 12.948 0.900 15.796 1.00 0.00 H new ATOM 0 HB2 ASP A 451 14.783 -0.511 14.507 1.00 0.00 H new ATOM 0 HB3 ASP A 451 13.865 -0.063 13.082 1.00 0.00 H new ATOM 732 N PRO A 452 10.717 1.511 14.715 1.00 0.00 N ATOM 733 CA PRO A 452 9.569 2.083 14.009 1.00 0.00 C ATOM 734 C PRO A 452 9.987 3.171 13.024 1.00 0.00 C ATOM 735 O PRO A 452 9.209 3.572 12.159 1.00 0.00 O ATOM 736 CB PRO A 452 8.699 2.682 15.124 1.00 0.00 C ATOM 737 CG PRO A 452 9.255 2.151 16.405 1.00 0.00 C ATOM 738 CD PRO A 452 10.702 1.845 16.146 1.00 0.00 C ATOM 0 HA PRO A 452 9.050 1.331 13.415 1.00 0.00 H new ATOM 0 HB2 PRO A 452 8.734 3.771 15.104 1.00 0.00 H new ATOM 0 HB3 PRO A 452 7.655 2.394 15.002 1.00 0.00 H new ATOM 0 HG2 PRO A 452 9.150 2.882 17.206 1.00 0.00 H new ATOM 0 HG3 PRO A 452 8.719 1.255 16.719 1.00 0.00 H new ATOM 0 HD2 PRO A 452 11.341 2.699 16.368 1.00 0.00 H new ATOM 0 HD3 PRO A 452 11.055 1.015 16.758 1.00 0.00 H new ATOM 746 N LYS A 453 11.222 3.648 13.166 1.00 0.00 N ATOM 747 CA LYS A 453 11.746 4.691 12.292 1.00 0.00 C ATOM 748 C LYS A 453 12.415 4.098 11.055 1.00 0.00 C ATOM 749 O LYS A 453 12.602 4.787 10.052 1.00 0.00 O ATOM 750 CB LYS A 453 12.743 5.565 13.055 1.00 0.00 C ATOM 751 CG LYS A 453 12.179 6.144 14.342 1.00 0.00 C ATOM 752 CD LYS A 453 13.259 6.814 15.171 1.00 0.00 C ATOM 753 CE LYS A 453 14.149 5.790 15.860 1.00 0.00 C ATOM 754 NZ LYS A 453 15.255 5.329 14.975 1.00 0.00 N ATOM 0 H LYS A 453 11.877 3.328 13.879 1.00 0.00 H new ATOM 0 HA LYS A 453 10.907 5.303 11.962 1.00 0.00 H new ATOM 0 HB2 LYS A 453 13.628 4.973 13.289 1.00 0.00 H new ATOM 0 HB3 LYS A 453 13.067 6.382 12.410 1.00 0.00 H new ATOM 0 HG2 LYS A 453 11.399 6.868 14.105 1.00 0.00 H new ATOM 0 HG3 LYS A 453 11.711 5.350 14.925 1.00 0.00 H new ATOM 0 HD2 LYS A 453 13.867 7.453 14.531 1.00 0.00 H new ATOM 0 HD3 LYS A 453 12.798 7.459 15.919 1.00 0.00 H new ATOM 0 HE2 LYS A 453 14.568 6.225 16.767 1.00 0.00 H new ATOM 0 HE3 LYS A 453 13.548 4.934 16.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 15.062 4.358 14.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 15.324 5.958 14.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 16.152 5.348 15.501 1.00 0.00 H new ATOM 768 N ALA A 454 12.770 2.817 11.126 1.00 0.00 N ATOM 769 CA ALA A 454 13.410 2.143 10.004 1.00 0.00 C ATOM 770 C ALA A 454 12.369 1.555 9.060 1.00 0.00 C ATOM 771 O ALA A 454 11.577 0.695 9.449 1.00 0.00 O ATOM 772 CB ALA A 454 14.345 1.053 10.506 1.00 0.00 C ATOM 0 H ALA A 454 12.625 2.229 11.946 1.00 0.00 H new ATOM 0 HA ALA A 454 13.994 2.879 9.452 1.00 0.00 H new ATOM 0 HB1 ALA A 454 14.816 0.558 9.657 1.00 0.00 H new ATOM 0 HB2 ALA A 454 15.113 1.496 11.140 1.00 0.00 H new ATOM 0 HB3 ALA A 454 13.776 0.323 11.082 1.00 0.00 H new ATOM 778 N VAL A 455 12.363 2.032 7.821 1.00 0.00 N ATOM 779 CA VAL A 455 11.409 1.560 6.826 1.00 0.00 C ATOM 780 C VAL A 455 12.102 0.811 5.692 1.00 0.00 C ATOM 781 O VAL A 455 13.200 1.176 5.270 1.00 0.00 O ATOM 782 CB VAL A 455 10.600 2.731 6.235 1.00 0.00 C ATOM 783 CG1 VAL A 455 9.505 2.216 5.311 1.00 0.00 C ATOM 784 CG2 VAL A 455 10.014 3.589 7.348 1.00 0.00 C ATOM 0 H VAL A 455 13.008 2.745 7.482 1.00 0.00 H new ATOM 0 HA VAL A 455 10.734 0.875 7.339 1.00 0.00 H new ATOM 0 HB VAL A 455 11.273 3.353 5.645 1.00 0.00 H new ATOM 0 HG11 VAL A 455 8.946 3.059 4.904 1.00 0.00 H new ATOM 0 HG12 VAL A 455 9.954 1.651 4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 455 8.830 1.569 5.872 1.00 0.00 H new ATOM 0 HG21 VAL A 455 9.446 4.411 6.913 1.00 0.00 H new ATOM 0 HG22 VAL A 455 9.355 2.981 7.968 1.00 0.00 H new ATOM 0 HG23 VAL A 455 10.821 3.990 7.961 1.00 0.00 H new ATOM 794 N VAL A 456 11.443 -0.231 5.196 1.00 0.00 N ATOM 795 CA VAL A 456 11.977 -1.030 4.098 1.00 0.00 C ATOM 796 C VAL A 456 11.204 -0.731 2.815 1.00 0.00 C ATOM 797 O VAL A 456 9.994 -0.513 2.856 1.00 0.00 O ATOM 798 CB VAL A 456 11.927 -2.550 4.411 1.00 0.00 C ATOM 799 CG1 VAL A 456 12.146 -2.805 5.897 1.00 0.00 C ATOM 800 CG2 VAL A 456 10.613 -3.170 3.952 1.00 0.00 C ATOM 0 H VAL A 456 10.534 -0.543 5.539 1.00 0.00 H new ATOM 0 HA VAL A 456 13.024 -0.757 3.966 1.00 0.00 H new ATOM 0 HB VAL A 456 12.735 -3.026 3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 456 12.107 -3.877 6.092 1.00 0.00 H new ATOM 0 HG12 VAL A 456 13.121 -2.418 6.193 1.00 0.00 H new ATOM 0 HG13 VAL A 456 11.367 -2.303 6.471 1.00 0.00 H new ATOM 0 HG21 VAL A 456 10.611 -4.235 4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 456 9.783 -2.684 4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 456 10.503 -3.035 2.876 1.00 0.00 H new ATOM 810 N THR A 457 11.896 -0.714 1.679 1.00 0.00 N ATOM 811 CA THR A 457 11.240 -0.430 0.408 1.00 0.00 C ATOM 812 C THR A 457 11.624 -1.436 -0.671 1.00 0.00 C ATOM 813 O THR A 457 12.798 -1.585 -1.012 1.00 0.00 O ATOM 814 CB THR A 457 11.571 0.987 -0.095 1.00 0.00 C ATOM 815 OG1 THR A 457 11.819 1.857 1.016 1.00 0.00 O ATOM 816 CG2 THR A 457 10.429 1.540 -0.934 1.00 0.00 C ATOM 0 H THR A 457 12.898 -0.891 1.613 1.00 0.00 H new ATOM 0 HA THR A 457 10.169 -0.507 0.598 1.00 0.00 H new ATOM 0 HB THR A 457 12.465 0.930 -0.716 1.00 0.00 H new ATOM 0 HG1 THR A 457 12.030 2.756 0.687 1.00 0.00 H new ATOM 0 HG21 THR A 457 10.683 2.542 -1.279 1.00 0.00 H new ATOM 0 HG22 THR A 457 10.262 0.891 -1.794 1.00 0.00 H new ATOM 0 HG23 THR A 457 9.522 1.583 -0.331 1.00 0.00 H new ATOM 824 N THR A 458 10.618 -2.115 -1.213 1.00 0.00 N ATOM 825 CA THR A 458 10.833 -3.099 -2.265 1.00 0.00 C ATOM 826 C THR A 458 10.048 -2.727 -3.520 1.00 0.00 C ATOM 827 O THR A 458 8.855 -2.433 -3.449 1.00 0.00 O ATOM 828 CB THR A 458 10.415 -4.510 -1.810 1.00 0.00 C ATOM 829 OG1 THR A 458 10.662 -4.667 -0.407 1.00 0.00 O ATOM 830 CG2 THR A 458 11.175 -5.576 -2.585 1.00 0.00 C ATOM 0 H THR A 458 9.642 -2.000 -0.939 1.00 0.00 H new ATOM 0 HA THR A 458 11.900 -3.103 -2.488 1.00 0.00 H new ATOM 0 HB THR A 458 9.350 -4.630 -2.007 1.00 0.00 H new ATOM 0 HG1 THR A 458 10.392 -5.566 -0.126 1.00 0.00 H new ATOM 0 HG21 THR A 458 10.863 -6.564 -2.246 1.00 0.00 H new ATOM 0 HG22 THR A 458 10.962 -5.473 -3.649 1.00 0.00 H new ATOM 0 HG23 THR A 458 12.245 -5.456 -2.416 1.00 0.00 H new ATOM 838 N TYR A 459 10.724 -2.739 -4.664 1.00 0.00 N ATOM 839 CA TYR A 459 10.083 -2.401 -5.929 1.00 0.00 C ATOM 840 C TYR A 459 9.939 -3.634 -6.812 1.00 0.00 C ATOM 841 O TYR A 459 10.901 -4.371 -7.031 1.00 0.00 O ATOM 842 CB TYR A 459 10.887 -1.327 -6.665 1.00 0.00 C ATOM 843 CG TYR A 459 10.794 0.039 -6.027 1.00 0.00 C ATOM 844 CD1 TYR A 459 11.621 0.389 -4.967 1.00 0.00 C ATOM 845 CD2 TYR A 459 9.881 0.982 -6.485 1.00 0.00 C ATOM 846 CE1 TYR A 459 11.543 1.637 -4.381 1.00 0.00 C ATOM 847 CE2 TYR A 459 9.796 2.232 -5.905 1.00 0.00 C ATOM 848 CZ TYR A 459 10.631 2.555 -4.854 1.00 0.00 C ATOM 849 OH TYR A 459 10.548 3.799 -4.271 1.00 0.00 O ATOM 0 H TYR A 459 11.713 -2.978 -4.741 1.00 0.00 H new ATOM 0 HA TYR A 459 9.088 -2.013 -5.709 1.00 0.00 H new ATOM 0 HB2 TYR A 459 11.933 -1.631 -6.704 1.00 0.00 H new ATOM 0 HB3 TYR A 459 10.535 -1.263 -7.695 1.00 0.00 H new ATOM 0 HD1 TYR A 459 12.338 -0.328 -4.595 1.00 0.00 H new ATOM 0 HD2 TYR A 459 9.228 0.733 -7.308 1.00 0.00 H new ATOM 0 HE1 TYR A 459 12.193 1.892 -3.557 1.00 0.00 H new ATOM 0 HE2 TYR A 459 9.080 2.953 -6.271 1.00 0.00 H new ATOM 0 HH TYR A 459 9.856 4.326 -4.722 1.00 0.00 H new ATOM 859 N GLU A 460 8.729 -3.856 -7.312 1.00 0.00 N ATOM 860 CA GLU A 460 8.455 -5.004 -8.166 1.00 0.00 C ATOM 861 C GLU A 460 8.079 -4.564 -9.577 1.00 0.00 C ATOM 862 O GLU A 460 6.973 -4.074 -9.811 1.00 0.00 O ATOM 863 CB GLU A 460 7.332 -5.847 -7.563 1.00 0.00 C ATOM 864 CG GLU A 460 7.648 -6.372 -6.171 1.00 0.00 C ATOM 865 CD GLU A 460 6.687 -5.856 -5.119 1.00 0.00 C ATOM 866 OE1 GLU A 460 5.475 -6.134 -5.235 1.00 0.00 O ATOM 867 OE2 GLU A 460 7.146 -5.175 -4.177 1.00 0.00 O ATOM 0 H GLU A 460 7.922 -3.256 -7.140 1.00 0.00 H new ATOM 0 HA GLU A 460 9.362 -5.604 -8.230 1.00 0.00 H new ATOM 0 HB2 GLU A 460 6.422 -5.248 -7.519 1.00 0.00 H new ATOM 0 HB3 GLU A 460 7.127 -6.690 -8.223 1.00 0.00 H new ATOM 0 HG2 GLU A 460 7.617 -7.461 -6.182 1.00 0.00 H new ATOM 0 HG3 GLU A 460 8.664 -6.085 -5.901 1.00 0.00 H new ATOM 874 N GLY A 461 9.000 -4.757 -10.517 1.00 0.00 N ATOM 875 CA GLY A 461 8.741 -4.387 -11.897 1.00 0.00 C ATOM 876 C GLY A 461 9.162 -2.967 -12.226 1.00 0.00 C ATOM 877 O GLY A 461 9.054 -2.068 -11.393 1.00 0.00 O ATOM 0 H GLY A 461 9.920 -5.163 -10.348 1.00 0.00 H new ATOM 0 HA2 GLY A 461 9.268 -5.077 -12.556 1.00 0.00 H new ATOM 0 HA3 GLY A 461 7.677 -4.500 -12.103 1.00 0.00 H new ATOM 881 N LYS A 462 9.639 -2.772 -13.452 1.00 0.00 N ATOM 882 CA LYS A 462 10.075 -1.458 -13.916 1.00 0.00 C ATOM 883 C LYS A 462 8.906 -0.701 -14.542 1.00 0.00 C ATOM 884 O LYS A 462 7.851 -1.280 -14.799 1.00 0.00 O ATOM 885 CB LYS A 462 11.210 -1.615 -14.935 1.00 0.00 C ATOM 886 CG LYS A 462 11.723 -0.299 -15.501 1.00 0.00 C ATOM 887 CD LYS A 462 12.973 -0.500 -16.345 1.00 0.00 C ATOM 888 CE LYS A 462 12.783 0.030 -17.758 1.00 0.00 C ATOM 889 NZ LYS A 462 12.925 1.511 -17.819 1.00 0.00 N ATOM 0 H LYS A 462 9.734 -3.513 -14.147 1.00 0.00 H new ATOM 0 HA LYS A 462 10.440 -0.887 -13.063 1.00 0.00 H new ATOM 0 HB2 LYS A 462 12.038 -2.142 -14.462 1.00 0.00 H new ATOM 0 HB3 LYS A 462 10.862 -2.241 -15.757 1.00 0.00 H new ATOM 0 HG2 LYS A 462 10.945 0.165 -16.107 1.00 0.00 H new ATOM 0 HG3 LYS A 462 11.942 0.388 -14.684 1.00 0.00 H new ATOM 0 HD2 LYS A 462 13.816 0.007 -15.875 1.00 0.00 H new ATOM 0 HD3 LYS A 462 13.221 -1.561 -16.383 1.00 0.00 H new ATOM 0 HE2 LYS A 462 13.514 -0.432 -18.421 1.00 0.00 H new ATOM 0 HE3 LYS A 462 11.797 -0.256 -18.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 12.789 1.833 -18.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 12.211 1.954 -17.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 13.875 1.782 -17.495 1.00 0.00 H new ATOM 903 N HIS A 463 9.095 0.591 -14.792 1.00 0.00 N ATOM 904 CA HIS A 463 8.048 1.409 -15.395 1.00 0.00 C ATOM 905 C HIS A 463 8.259 1.520 -16.902 1.00 0.00 C ATOM 906 O HIS A 463 9.393 1.589 -17.375 1.00 0.00 O ATOM 907 CB HIS A 463 8.028 2.802 -14.764 1.00 0.00 C ATOM 908 CG HIS A 463 8.030 2.780 -13.269 1.00 0.00 C ATOM 909 ND1 HIS A 463 6.878 2.821 -12.511 1.00 0.00 N ATOM 910 CD2 HIS A 463 9.056 2.718 -12.385 1.00 0.00 C ATOM 911 CE1 HIS A 463 7.195 2.786 -11.229 1.00 0.00 C ATOM 912 NE2 HIS A 463 8.508 2.723 -11.126 1.00 0.00 N ATOM 0 H HIS A 463 9.959 1.092 -14.587 1.00 0.00 H new ATOM 0 HA HIS A 463 7.088 0.927 -15.211 1.00 0.00 H new ATOM 0 HB2 HIS A 463 8.896 3.362 -15.112 1.00 0.00 H new ATOM 0 HB3 HIS A 463 7.143 3.336 -15.110 1.00 0.00 H new ATOM 0 HD2 HIS A 463 10.108 2.673 -12.626 1.00 0.00 H new ATOM 0 HE1 HIS A 463 6.497 2.806 -10.405 1.00 0.00 H new ATOM 0 HE2 HIS A 463 9.032 2.684 -10.252 1.00 0.00 H new ATOM 920 N ASN A 464 7.162 1.537 -17.650 1.00 0.00 N ATOM 921 CA ASN A 464 7.232 1.639 -19.102 1.00 0.00 C ATOM 922 C ASN A 464 6.942 3.063 -19.567 1.00 0.00 C ATOM 923 O ASN A 464 6.229 3.272 -20.548 1.00 0.00 O ATOM 924 CB ASN A 464 6.242 0.666 -19.749 1.00 0.00 C ATOM 925 CG ASN A 464 6.862 -0.691 -20.028 1.00 0.00 C ATOM 926 OD1 ASN A 464 8.084 -0.825 -20.106 1.00 0.00 O ATOM 927 ND2 ASN A 464 6.019 -1.705 -20.182 1.00 0.00 N ATOM 0 H ASN A 464 6.215 1.482 -17.275 1.00 0.00 H new ATOM 0 HA ASN A 464 8.244 1.378 -19.410 1.00 0.00 H new ATOM 0 HB2 ASN A 464 5.380 0.541 -19.094 1.00 0.00 H new ATOM 0 HB3 ASN A 464 5.874 1.093 -20.682 1.00 0.00 H new ATOM 0 HD21 ASN A 464 6.377 -2.641 -20.373 1.00 0.00 H new ATOM 0 HD22 ASN A 464 5.014 -1.548 -20.109 1.00 0.00 H new ATOM 934 N HIS A 465 7.498 4.043 -18.859 1.00 0.00 N ATOM 935 CA HIS A 465 7.297 5.445 -19.203 1.00 0.00 C ATOM 936 C HIS A 465 8.459 6.288 -18.699 1.00 0.00 C ATOM 937 O HIS A 465 8.261 7.265 -17.976 1.00 0.00 O ATOM 938 CB HIS A 465 5.991 5.952 -18.604 1.00 0.00 C ATOM 939 CG HIS A 465 5.914 5.791 -17.117 1.00 0.00 C ATOM 940 ND1 HIS A 465 6.427 6.713 -16.226 1.00 0.00 N ATOM 941 CD2 HIS A 465 5.384 4.802 -16.364 1.00 0.00 C ATOM 942 CE1 HIS A 465 6.215 6.291 -14.989 1.00 0.00 C ATOM 943 NE2 HIS A 465 5.583 5.133 -15.046 1.00 0.00 N ATOM 0 H HIS A 465 8.091 3.890 -18.043 1.00 0.00 H new ATOM 0 HA HIS A 465 7.247 5.530 -20.289 1.00 0.00 H new ATOM 0 HB2 HIS A 465 5.871 7.006 -18.854 1.00 0.00 H new ATOM 0 HB3 HIS A 465 5.159 5.418 -19.063 1.00 0.00 H new ATOM 0 HD1 HIS A 465 6.896 7.582 -16.481 1.00 0.00 H new ATOM 0 HD2 HIS A 465 4.893 3.913 -16.732 1.00 0.00 H new ATOM 0 HE1 HIS A 465 6.509 6.806 -14.087 1.00 0.00 H new