USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 495 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 385 HIS : no HD1:sc= -2.96! X(o=-2.3!,f=-2.2) USER MOD Set 1.2: A 396 THR OG1 : rot 10:sc= 0.646 USER MOD Single : A 365 SER OG : rot 180:sc= -0.103 USER MOD Single : A 366 SER OG : rot 180:sc= 0 USER MOD Single : A 368 SER OG : rot 180:sc= -0.103 USER MOD Single : A 369 SER OG : rot 180:sc= -0.102 USER MOD Single : A 371 ASN : amide:sc= -2.01 K(o=-2,f=-11!) USER MOD Single : A 374 TYR OH : rot 180:sc= -0.157 USER MOD Single : A 386 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 387 LYS NZ :NH3+ 146:sc= -0.0212 (180deg=-0.934) USER MOD Single : A 391 THR OG1 : rot -77:sc= 0.834 USER MOD Single : A 397 HIS : no HD1:sc= -2.37 X(o=-2.4,f=-2.2) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 401 LYS NZ :NH3+ -155:sc= -0.991 (180deg=-2.84!) USER MOD Single : A 403 CYS SG : rot 180:sc= 0 USER MOD Single : A 404 SER OG : rot -120:sc= -0.457 USER MOD Single : A 407 TYR OH : rot 180:sc= 0 USER MOD Single : A 410 SER OG : rot 70:sc= 1.11 USER MOD Single : A 411 THR OG1 : rot 180:sc= -0.239 USER MOD Single : A 422 LYS NZ :NH3+ 149:sc= -0.0652 (180deg=-0.431) USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 428 SER OG : rot 180:sc= 0 USER MOD Single : A 430 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 364 30.558 2.567 27.044 1.00 0.00 N ATOM 2 CA GLY A 364 30.644 3.390 25.853 1.00 0.00 C ATOM 3 C GLY A 364 29.291 3.622 25.209 1.00 0.00 C ATOM 4 O GLY A 364 28.972 3.019 24.185 1.00 0.00 O ATOM 0 HA2 GLY A 364 31.090 4.351 26.111 1.00 0.00 H new ATOM 0 HA3 GLY A 364 31.309 2.913 25.133 1.00 0.00 H new ATOM 8 N SER A 365 28.493 4.498 25.812 1.00 0.00 N ATOM 9 CA SER A 365 27.164 4.804 25.295 1.00 0.00 C ATOM 10 C SER A 365 26.484 3.545 24.766 1.00 0.00 C ATOM 11 O SER A 365 25.861 3.561 23.705 1.00 0.00 O ATOM 12 CB SER A 365 27.256 5.852 24.184 1.00 0.00 C ATOM 13 OG SER A 365 28.067 5.394 23.116 1.00 0.00 O ATOM 0 H SER A 365 28.744 5.008 26.659 1.00 0.00 H new ATOM 0 HA SER A 365 26.565 5.203 26.114 1.00 0.00 H new ATOM 0 HB2 SER A 365 26.257 6.082 23.813 1.00 0.00 H new ATOM 0 HB3 SER A 365 27.668 6.778 24.586 1.00 0.00 H new ATOM 0 HG SER A 365 28.108 6.081 22.419 1.00 0.00 H new ATOM 19 N SER A 366 26.608 2.454 25.516 1.00 0.00 N ATOM 20 CA SER A 366 26.009 1.184 25.122 1.00 0.00 C ATOM 21 C SER A 366 24.548 1.373 24.724 1.00 0.00 C ATOM 22 O SER A 366 24.095 0.841 23.711 1.00 0.00 O ATOM 23 CB SER A 366 26.111 0.172 26.265 1.00 0.00 C ATOM 24 OG SER A 366 25.657 -1.107 25.856 1.00 0.00 O ATOM 0 H SER A 366 27.117 2.424 26.399 1.00 0.00 H new ATOM 0 HA SER A 366 26.556 0.804 24.259 1.00 0.00 H new ATOM 0 HB2 SER A 366 27.145 0.103 26.603 1.00 0.00 H new ATOM 0 HB3 SER A 366 25.520 0.517 27.114 1.00 0.00 H new ATOM 0 HG SER A 366 25.734 -1.736 26.604 1.00 0.00 H new ATOM 30 N GLY A 367 23.815 2.136 25.529 1.00 0.00 N ATOM 31 CA GLY A 367 22.414 2.382 25.245 1.00 0.00 C ATOM 32 C GLY A 367 21.606 2.647 26.500 1.00 0.00 C ATOM 33 O GLY A 367 20.621 1.958 26.769 1.00 0.00 O ATOM 0 H GLY A 367 24.167 2.588 26.373 1.00 0.00 H new ATOM 0 HA2 GLY A 367 22.327 3.236 24.574 1.00 0.00 H new ATOM 0 HA3 GLY A 367 21.996 1.522 24.722 1.00 0.00 H new ATOM 37 N SER A 368 22.023 3.646 27.271 1.00 0.00 N ATOM 38 CA SER A 368 21.334 3.996 28.508 1.00 0.00 C ATOM 39 C SER A 368 20.223 5.008 28.243 1.00 0.00 C ATOM 40 O SER A 368 19.101 4.856 28.725 1.00 0.00 O ATOM 41 CB SER A 368 22.325 4.564 29.525 1.00 0.00 C ATOM 42 OG SER A 368 22.874 5.790 29.072 1.00 0.00 O ATOM 0 H SER A 368 22.834 4.227 27.061 1.00 0.00 H new ATOM 0 HA SER A 368 20.886 3.089 28.915 1.00 0.00 H new ATOM 0 HB2 SER A 368 21.823 4.718 30.480 1.00 0.00 H new ATOM 0 HB3 SER A 368 23.126 3.845 29.698 1.00 0.00 H new ATOM 0 HG SER A 368 23.503 6.134 29.740 1.00 0.00 H new ATOM 48 N SER A 369 20.545 6.043 27.472 1.00 0.00 N ATOM 49 CA SER A 369 19.577 7.083 27.145 1.00 0.00 C ATOM 50 C SER A 369 18.288 6.474 26.603 1.00 0.00 C ATOM 51 O SER A 369 17.194 6.795 27.065 1.00 0.00 O ATOM 52 CB SER A 369 20.166 8.054 26.121 1.00 0.00 C ATOM 53 OG SER A 369 20.545 7.377 24.935 1.00 0.00 O ATOM 0 H SER A 369 21.469 6.183 27.063 1.00 0.00 H new ATOM 0 HA SER A 369 19.344 7.629 28.059 1.00 0.00 H new ATOM 0 HB2 SER A 369 19.434 8.826 25.885 1.00 0.00 H new ATOM 0 HB3 SER A 369 21.033 8.557 26.549 1.00 0.00 H new ATOM 0 HG SER A 369 20.917 8.020 24.296 1.00 0.00 H new ATOM 59 N GLY A 370 18.426 5.592 25.617 1.00 0.00 N ATOM 60 CA GLY A 370 17.265 4.951 25.027 1.00 0.00 C ATOM 61 C GLY A 370 16.302 5.948 24.414 1.00 0.00 C ATOM 62 O GLY A 370 15.831 6.862 25.090 1.00 0.00 O ATOM 0 H GLY A 370 19.321 5.310 25.217 1.00 0.00 H new ATOM 0 HA2 GLY A 370 17.592 4.248 24.261 1.00 0.00 H new ATOM 0 HA3 GLY A 370 16.746 4.372 25.791 1.00 0.00 H new ATOM 66 N ASN A 371 16.010 5.774 23.129 1.00 0.00 N ATOM 67 CA ASN A 371 15.098 6.668 22.425 1.00 0.00 C ATOM 68 C ASN A 371 13.864 5.913 21.938 1.00 0.00 C ATOM 69 O ASN A 371 13.955 4.817 21.384 1.00 0.00 O ATOM 70 CB ASN A 371 15.808 7.324 21.240 1.00 0.00 C ATOM 71 CG ASN A 371 15.129 8.605 20.796 1.00 0.00 C ATOM 72 OD1 ASN A 371 13.986 8.589 20.339 1.00 0.00 O ATOM 73 ND2 ASN A 371 15.831 9.724 20.929 1.00 0.00 N ATOM 0 H ASN A 371 16.392 5.023 22.554 1.00 0.00 H new ATOM 0 HA ASN A 371 14.777 7.442 23.122 1.00 0.00 H new ATOM 0 HB2 ASN A 371 16.841 7.539 21.513 1.00 0.00 H new ATOM 0 HB3 ASN A 371 15.838 6.624 20.405 1.00 0.00 H new ATOM 0 HD21 ASN A 371 15.426 10.617 20.647 1.00 0.00 H new ATOM 0 HD22 ASN A 371 16.775 9.691 21.313 1.00 0.00 H new ATOM 80 N PRO A 372 12.683 6.512 22.149 1.00 0.00 N ATOM 81 CA PRO A 372 11.408 5.915 21.739 1.00 0.00 C ATOM 82 C PRO A 372 11.239 5.896 20.224 1.00 0.00 C ATOM 83 O PRO A 372 10.395 5.172 19.693 1.00 0.00 O ATOM 84 CB PRO A 372 10.364 6.831 22.382 1.00 0.00 C ATOM 85 CG PRO A 372 11.056 8.141 22.540 1.00 0.00 C ATOM 86 CD PRO A 372 12.500 7.818 22.804 1.00 0.00 C ATOM 0 HA PRO A 372 11.328 4.873 22.048 1.00 0.00 H new ATOM 0 HB2 PRO A 372 9.478 6.924 21.754 1.00 0.00 H new ATOM 0 HB3 PRO A 372 10.033 6.440 23.344 1.00 0.00 H new ATOM 0 HG2 PRO A 372 10.950 8.749 21.641 1.00 0.00 H new ATOM 0 HG3 PRO A 372 10.627 8.712 23.363 1.00 0.00 H new ATOM 0 HD2 PRO A 372 13.164 8.574 22.385 1.00 0.00 H new ATOM 0 HD3 PRO A 372 12.711 7.765 23.872 1.00 0.00 H new ATOM 94 N ASP A 373 12.045 6.694 19.532 1.00 0.00 N ATOM 95 CA ASP A 373 11.985 6.767 18.077 1.00 0.00 C ATOM 96 C ASP A 373 11.693 5.395 17.476 1.00 0.00 C ATOM 97 O ASP A 373 10.602 5.152 16.960 1.00 0.00 O ATOM 98 CB ASP A 373 13.299 7.313 17.518 1.00 0.00 C ATOM 99 CG ASP A 373 13.105 8.073 16.220 1.00 0.00 C ATOM 100 OD1 ASP A 373 12.097 8.801 16.104 1.00 0.00 O ATOM 101 OD2 ASP A 373 13.962 7.940 15.322 1.00 0.00 O ATOM 0 H ASP A 373 12.748 7.300 19.956 1.00 0.00 H new ATOM 0 HA ASP A 373 11.175 7.443 17.805 1.00 0.00 H new ATOM 0 HB2 ASP A 373 13.759 7.971 18.256 1.00 0.00 H new ATOM 0 HB3 ASP A 373 13.991 6.487 17.352 1.00 0.00 H new ATOM 106 N TYR A 374 12.675 4.504 17.545 1.00 0.00 N ATOM 107 CA TYR A 374 12.525 3.158 17.004 1.00 0.00 C ATOM 108 C TYR A 374 11.786 3.186 15.670 1.00 0.00 C ATOM 109 O TYR A 374 10.913 2.357 15.413 1.00 0.00 O ATOM 110 CB TYR A 374 11.775 2.268 17.997 1.00 0.00 C ATOM 111 CG TYR A 374 11.510 0.872 17.478 1.00 0.00 C ATOM 112 CD1 TYR A 374 12.533 0.107 16.932 1.00 0.00 C ATOM 113 CD2 TYR A 374 10.237 0.319 17.536 1.00 0.00 C ATOM 114 CE1 TYR A 374 12.295 -1.168 16.456 1.00 0.00 C ATOM 115 CE2 TYR A 374 9.990 -0.956 17.064 1.00 0.00 C ATOM 116 CZ TYR A 374 11.022 -1.695 16.525 1.00 0.00 C ATOM 117 OH TYR A 374 10.782 -2.965 16.053 1.00 0.00 O ATOM 0 H TYR A 374 13.584 4.689 17.970 1.00 0.00 H new ATOM 0 HA TYR A 374 13.521 2.747 16.838 1.00 0.00 H new ATOM 0 HB2 TYR A 374 12.352 2.200 18.919 1.00 0.00 H new ATOM 0 HB3 TYR A 374 10.825 2.739 18.249 1.00 0.00 H new ATOM 0 HD1 TYR A 374 13.531 0.516 16.879 1.00 0.00 H new ATOM 0 HD2 TYR A 374 9.427 0.895 17.957 1.00 0.00 H new ATOM 0 HE1 TYR A 374 13.101 -1.749 16.032 1.00 0.00 H new ATOM 0 HE2 TYR A 374 8.994 -1.371 17.117 1.00 0.00 H new ATOM 0 HH TYR A 374 9.835 -3.186 16.176 1.00 0.00 H new ATOM 127 N VAL A 375 12.142 4.147 14.824 1.00 0.00 N ATOM 128 CA VAL A 375 11.515 4.284 13.514 1.00 0.00 C ATOM 129 C VAL A 375 12.562 4.438 12.417 1.00 0.00 C ATOM 130 O VAL A 375 12.228 4.557 11.239 1.00 0.00 O ATOM 131 CB VAL A 375 10.563 5.494 13.472 1.00 0.00 C ATOM 132 CG1 VAL A 375 11.322 6.759 13.104 1.00 0.00 C ATOM 133 CG2 VAL A 375 9.424 5.241 12.495 1.00 0.00 C ATOM 0 H VAL A 375 12.861 4.843 15.022 1.00 0.00 H new ATOM 0 HA VAL A 375 10.942 3.373 13.340 1.00 0.00 H new ATOM 0 HB VAL A 375 10.136 5.633 14.465 1.00 0.00 H new ATOM 0 HG11 VAL A 375 10.633 7.603 13.079 1.00 0.00 H new ATOM 0 HG12 VAL A 375 12.098 6.946 13.846 1.00 0.00 H new ATOM 0 HG13 VAL A 375 11.780 6.636 12.123 1.00 0.00 H new ATOM 0 HG21 VAL A 375 8.761 6.106 12.478 1.00 0.00 H new ATOM 0 HG22 VAL A 375 9.830 5.075 11.497 1.00 0.00 H new ATOM 0 HG23 VAL A 375 8.864 4.360 12.809 1.00 0.00 H new ATOM 143 N GLU A 376 13.832 4.432 12.813 1.00 0.00 N ATOM 144 CA GLU A 376 14.928 4.571 11.862 1.00 0.00 C ATOM 145 C GLU A 376 14.721 3.660 10.655 1.00 0.00 C ATOM 146 O GLU A 376 14.324 2.503 10.798 1.00 0.00 O ATOM 147 CB GLU A 376 16.262 4.246 12.537 1.00 0.00 C ATOM 148 CG GLU A 376 16.328 2.840 13.109 1.00 0.00 C ATOM 149 CD GLU A 376 17.469 2.664 14.093 1.00 0.00 C ATOM 150 OE1 GLU A 376 17.306 3.062 15.266 1.00 0.00 O ATOM 151 OE2 GLU A 376 18.523 2.129 13.691 1.00 0.00 O ATOM 0 H GLU A 376 14.126 4.332 13.785 1.00 0.00 H new ATOM 0 HA GLU A 376 14.946 5.605 11.516 1.00 0.00 H new ATOM 0 HB2 GLU A 376 17.066 4.373 11.813 1.00 0.00 H new ATOM 0 HB3 GLU A 376 16.439 4.964 13.338 1.00 0.00 H new ATOM 0 HG2 GLU A 376 15.386 2.609 13.606 1.00 0.00 H new ATOM 0 HG3 GLU A 376 16.442 2.125 12.294 1.00 0.00 H new ATOM 158 N VAL A 377 14.991 4.190 9.467 1.00 0.00 N ATOM 159 CA VAL A 377 14.835 3.426 8.235 1.00 0.00 C ATOM 160 C VAL A 377 16.163 3.298 7.496 1.00 0.00 C ATOM 161 O VAL A 377 16.871 4.285 7.295 1.00 0.00 O ATOM 162 CB VAL A 377 13.799 4.076 7.299 1.00 0.00 C ATOM 163 CG1 VAL A 377 13.708 3.308 5.989 1.00 0.00 C ATOM 164 CG2 VAL A 377 12.441 4.150 7.978 1.00 0.00 C ATOM 0 H VAL A 377 15.319 5.146 9.331 1.00 0.00 H new ATOM 0 HA VAL A 377 14.484 2.434 8.520 1.00 0.00 H new ATOM 0 HB VAL A 377 14.124 5.092 7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 377 12.971 3.781 5.340 1.00 0.00 H new ATOM 0 HG12 VAL A 377 14.681 3.312 5.497 1.00 0.00 H new ATOM 0 HG13 VAL A 377 13.407 2.280 6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 377 11.721 4.612 7.302 1.00 0.00 H new ATOM 0 HG22 VAL A 377 12.106 3.144 8.233 1.00 0.00 H new ATOM 0 HG23 VAL A 377 12.521 4.747 8.887 1.00 0.00 H new ATOM 174 N ASP A 378 16.493 2.076 7.093 1.00 0.00 N ATOM 175 CA ASP A 378 17.736 1.818 6.374 1.00 0.00 C ATOM 176 C ASP A 378 17.658 2.350 4.946 1.00 0.00 C ATOM 177 O ASP A 378 18.456 3.197 4.545 1.00 0.00 O ATOM 178 CB ASP A 378 18.038 0.319 6.357 1.00 0.00 C ATOM 179 CG ASP A 378 19.084 -0.049 5.323 1.00 0.00 C ATOM 180 OD1 ASP A 378 19.743 0.870 4.793 1.00 0.00 O ATOM 181 OD2 ASP A 378 19.244 -1.256 5.043 1.00 0.00 O ATOM 0 H ASP A 378 15.918 1.249 7.252 1.00 0.00 H new ATOM 0 HA ASP A 378 18.542 2.337 6.893 1.00 0.00 H new ATOM 0 HB2 ASP A 378 18.382 0.009 7.344 1.00 0.00 H new ATOM 0 HB3 ASP A 378 17.120 -0.231 6.152 1.00 0.00 H new ATOM 186 N ARG A 379 16.692 1.846 4.185 1.00 0.00 N ATOM 187 CA ARG A 379 16.512 2.269 2.801 1.00 0.00 C ATOM 188 C ARG A 379 15.268 1.626 2.194 1.00 0.00 C ATOM 189 O ARG A 379 14.516 0.936 2.882 1.00 0.00 O ATOM 190 CB ARG A 379 17.744 1.907 1.970 1.00 0.00 C ATOM 191 CG ARG A 379 17.746 0.469 1.479 1.00 0.00 C ATOM 192 CD ARG A 379 18.959 0.179 0.609 1.00 0.00 C ATOM 193 NE ARG A 379 18.755 0.601 -0.774 1.00 0.00 N ATOM 194 CZ ARG A 379 19.450 0.121 -1.799 1.00 0.00 C ATOM 195 NH1 ARG A 379 20.390 -0.792 -1.597 1.00 0.00 N ATOM 196 NH2 ARG A 379 19.206 0.555 -3.029 1.00 0.00 N ATOM 0 H ARG A 379 16.023 1.145 4.503 1.00 0.00 H new ATOM 0 HA ARG A 379 16.382 3.351 2.792 1.00 0.00 H new ATOM 0 HB2 ARG A 379 17.802 2.575 1.111 1.00 0.00 H new ATOM 0 HB3 ARG A 379 18.639 2.079 2.568 1.00 0.00 H new ATOM 0 HG2 ARG A 379 17.739 -0.208 2.333 1.00 0.00 H new ATOM 0 HG3 ARG A 379 16.835 0.276 0.912 1.00 0.00 H new ATOM 0 HD2 ARG A 379 19.830 0.691 1.019 1.00 0.00 H new ATOM 0 HD3 ARG A 379 19.176 -0.889 0.634 1.00 0.00 H new ATOM 0 HE ARG A 379 18.040 1.303 -0.963 1.00 0.00 H new ATOM 0 HH11 ARG A 379 20.581 -1.127 -0.653 1.00 0.00 H new ATOM 0 HH12 ARG A 379 20.922 -1.159 -2.386 1.00 0.00 H new ATOM 0 HH21 ARG A 379 18.484 1.258 -3.188 1.00 0.00 H new ATOM 0 HH22 ARG A 379 19.740 0.186 -3.815 1.00 0.00 H new ATOM 210 N ILE A 380 15.059 1.858 0.902 1.00 0.00 N ATOM 211 CA ILE A 380 13.908 1.301 0.203 1.00 0.00 C ATOM 212 C ILE A 380 14.342 0.293 -0.856 1.00 0.00 C ATOM 213 O ILE A 380 15.301 0.526 -1.593 1.00 0.00 O ATOM 214 CB ILE A 380 13.069 2.405 -0.468 1.00 0.00 C ATOM 215 CG1 ILE A 380 12.517 3.368 0.585 1.00 0.00 C ATOM 216 CG2 ILE A 380 11.937 1.790 -1.277 1.00 0.00 C ATOM 217 CD1 ILE A 380 11.720 4.512 -0.001 1.00 0.00 C ATOM 0 H ILE A 380 15.672 2.428 0.319 1.00 0.00 H new ATOM 0 HA ILE A 380 13.298 0.797 0.952 1.00 0.00 H new ATOM 0 HB ILE A 380 13.711 2.968 -1.146 1.00 0.00 H new ATOM 0 HG12 ILE A 380 11.885 2.813 1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 380 13.346 3.773 1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 380 11.353 2.582 -1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 380 12.352 1.141 -2.048 1.00 0.00 H new ATOM 0 HG23 ILE A 380 11.294 1.206 -0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 380 11.360 5.154 0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 380 12.354 5.092 -0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 380 10.870 4.116 -0.557 1.00 0.00 H new ATOM 229 N LEU A 381 13.630 -0.826 -0.927 1.00 0.00 N ATOM 230 CA LEU A 381 13.940 -1.869 -1.897 1.00 0.00 C ATOM 231 C LEU A 381 13.119 -1.691 -3.170 1.00 0.00 C ATOM 232 O LEU A 381 13.636 -1.248 -4.196 1.00 0.00 O ATOM 233 CB LEU A 381 13.674 -3.250 -1.294 1.00 0.00 C ATOM 234 CG LEU A 381 14.744 -3.784 -0.342 1.00 0.00 C ATOM 235 CD1 LEU A 381 14.227 -4.999 0.414 1.00 0.00 C ATOM 236 CD2 LEU A 381 16.013 -4.130 -1.107 1.00 0.00 C ATOM 0 H LEU A 381 12.834 -1.034 -0.324 1.00 0.00 H new ATOM 0 HA LEU A 381 14.996 -1.789 -2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 381 12.725 -3.214 -0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 381 13.553 -3.963 -2.109 1.00 0.00 H new ATOM 0 HG LEU A 381 14.981 -3.005 0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 381 15.002 -5.366 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 381 13.346 -4.720 0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 381 13.962 -5.783 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 381 16.764 -4.509 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 381 15.791 -4.893 -1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 381 16.394 -3.237 -1.602 1.00 0.00 H new ATOM 248 N GLU A 382 11.838 -2.037 -3.095 1.00 0.00 N ATOM 249 CA GLU A 382 10.946 -1.913 -4.242 1.00 0.00 C ATOM 250 C GLU A 382 9.559 -1.450 -3.805 1.00 0.00 C ATOM 251 O GLU A 382 9.249 -1.420 -2.614 1.00 0.00 O ATOM 252 CB GLU A 382 10.840 -3.248 -4.981 1.00 0.00 C ATOM 253 CG GLU A 382 10.185 -3.138 -6.348 1.00 0.00 C ATOM 254 CD GLU A 382 10.700 -1.957 -7.147 1.00 0.00 C ATOM 255 OE1 GLU A 382 11.932 -1.858 -7.332 1.00 0.00 O ATOM 256 OE2 GLU A 382 9.873 -1.132 -7.588 1.00 0.00 O ATOM 0 H GLU A 382 11.395 -2.405 -2.253 1.00 0.00 H new ATOM 0 HA GLU A 382 11.365 -1.165 -4.916 1.00 0.00 H new ATOM 0 HB2 GLU A 382 11.839 -3.668 -5.099 1.00 0.00 H new ATOM 0 HB3 GLU A 382 10.270 -3.948 -4.370 1.00 0.00 H new ATOM 0 HG2 GLU A 382 10.364 -4.056 -6.907 1.00 0.00 H new ATOM 0 HG3 GLU A 382 9.106 -3.045 -6.224 1.00 0.00 H new ATOM 263 N VAL A 383 8.727 -1.090 -4.777 1.00 0.00 N ATOM 264 CA VAL A 383 7.373 -0.629 -4.494 1.00 0.00 C ATOM 265 C VAL A 383 6.339 -1.481 -5.222 1.00 0.00 C ATOM 266 O VAL A 383 6.433 -1.692 -6.431 1.00 0.00 O ATOM 267 CB VAL A 383 7.186 0.845 -4.901 1.00 0.00 C ATOM 268 CG1 VAL A 383 7.561 1.048 -6.360 1.00 0.00 C ATOM 269 CG2 VAL A 383 5.754 1.290 -4.643 1.00 0.00 C ATOM 0 H VAL A 383 8.967 -1.109 -5.768 1.00 0.00 H new ATOM 0 HA VAL A 383 7.225 -0.723 -3.418 1.00 0.00 H new ATOM 0 HB VAL A 383 7.849 1.459 -4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 383 7.422 2.095 -6.629 1.00 0.00 H new ATOM 0 HG12 VAL A 383 8.604 0.770 -6.510 1.00 0.00 H new ATOM 0 HG13 VAL A 383 6.926 0.425 -6.989 1.00 0.00 H new ATOM 0 HG21 VAL A 383 5.639 2.334 -4.936 1.00 0.00 H new ATOM 0 HG22 VAL A 383 5.070 0.672 -5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 383 5.525 1.183 -3.583 1.00 0.00 H new ATOM 279 N ALA A 384 5.353 -1.969 -4.477 1.00 0.00 N ATOM 280 CA ALA A 384 4.299 -2.796 -5.052 1.00 0.00 C ATOM 281 C ALA A 384 2.972 -2.045 -5.093 1.00 0.00 C ATOM 282 O ALA A 384 2.637 -1.305 -4.167 1.00 0.00 O ATOM 283 CB ALA A 384 4.152 -4.088 -4.261 1.00 0.00 C ATOM 0 H ALA A 384 5.262 -1.806 -3.474 1.00 0.00 H new ATOM 0 HA ALA A 384 4.580 -3.039 -6.077 1.00 0.00 H new ATOM 0 HB1 ALA A 384 3.362 -4.696 -4.701 1.00 0.00 H new ATOM 0 HB2 ALA A 384 5.092 -4.640 -4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 384 3.897 -3.855 -3.227 1.00 0.00 H new ATOM 289 N HIS A 385 2.221 -2.239 -6.172 1.00 0.00 N ATOM 290 CA HIS A 385 0.930 -1.580 -6.333 1.00 0.00 C ATOM 291 C HIS A 385 -0.192 -2.606 -6.462 1.00 0.00 C ATOM 292 O HIS A 385 -0.116 -3.527 -7.276 1.00 0.00 O ATOM 293 CB HIS A 385 0.948 -0.670 -7.562 1.00 0.00 C ATOM 294 CG HIS A 385 1.954 0.436 -7.474 1.00 0.00 C ATOM 295 ND1 HIS A 385 3.307 0.213 -7.327 1.00 0.00 N ATOM 296 CD2 HIS A 385 1.798 1.780 -7.514 1.00 0.00 C ATOM 297 CE1 HIS A 385 3.939 1.372 -7.278 1.00 0.00 C ATOM 298 NE2 HIS A 385 3.046 2.339 -7.391 1.00 0.00 N ATOM 0 H HIS A 385 2.484 -2.847 -6.948 1.00 0.00 H new ATOM 0 HA HIS A 385 0.745 -0.976 -5.445 1.00 0.00 H new ATOM 0 HB2 HIS A 385 1.158 -1.272 -8.446 1.00 0.00 H new ATOM 0 HB3 HIS A 385 -0.043 -0.238 -7.699 1.00 0.00 H new ATOM 0 HD2 HIS A 385 0.865 2.313 -7.622 1.00 0.00 H new ATOM 0 HE1 HIS A 385 5.005 1.506 -7.165 1.00 0.00 H new ATOM 0 HE2 HIS A 385 3.250 3.338 -7.387 1.00 0.00 H new ATOM 306 N THR A 386 -1.233 -2.441 -5.652 1.00 0.00 N ATOM 307 CA THR A 386 -2.370 -3.354 -5.673 1.00 0.00 C ATOM 308 C THR A 386 -3.666 -2.626 -5.335 1.00 0.00 C ATOM 309 O THR A 386 -3.647 -1.484 -4.874 1.00 0.00 O ATOM 310 CB THR A 386 -2.174 -4.518 -4.684 1.00 0.00 C ATOM 311 OG1 THR A 386 -3.279 -5.425 -4.771 1.00 0.00 O ATOM 312 CG2 THR A 386 -2.047 -4.001 -3.259 1.00 0.00 C ATOM 0 H THR A 386 -1.313 -1.684 -4.973 1.00 0.00 H new ATOM 0 HA THR A 386 -2.435 -3.755 -6.685 1.00 0.00 H new ATOM 0 HB THR A 386 -1.254 -5.040 -4.948 1.00 0.00 H new ATOM 0 HG1 THR A 386 -3.147 -6.163 -4.140 1.00 0.00 H new ATOM 0 HG21 THR A 386 -1.909 -4.841 -2.578 1.00 0.00 H new ATOM 0 HG22 THR A 386 -1.188 -3.333 -3.189 1.00 0.00 H new ATOM 0 HG23 THR A 386 -2.952 -3.458 -2.987 1.00 0.00 H new ATOM 320 N LYS A 387 -4.791 -3.293 -5.565 1.00 0.00 N ATOM 321 CA LYS A 387 -6.098 -2.711 -5.282 1.00 0.00 C ATOM 322 C LYS A 387 -6.990 -3.708 -4.549 1.00 0.00 C ATOM 323 O LYS A 387 -6.936 -4.910 -4.807 1.00 0.00 O ATOM 324 CB LYS A 387 -6.773 -2.266 -6.582 1.00 0.00 C ATOM 325 CG LYS A 387 -7.365 -3.413 -7.383 1.00 0.00 C ATOM 326 CD LYS A 387 -8.121 -2.909 -8.601 1.00 0.00 C ATOM 327 CE LYS A 387 -9.574 -2.605 -8.269 1.00 0.00 C ATOM 328 NZ LYS A 387 -9.758 -1.196 -7.825 1.00 0.00 N ATOM 0 H LYS A 387 -4.825 -4.238 -5.947 1.00 0.00 H new ATOM 0 HA LYS A 387 -5.950 -1.842 -4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 387 -7.563 -1.553 -6.346 1.00 0.00 H new ATOM 0 HB3 LYS A 387 -6.044 -1.741 -7.199 1.00 0.00 H new ATOM 0 HG2 LYS A 387 -6.568 -4.086 -7.701 1.00 0.00 H new ATOM 0 HG3 LYS A 387 -8.037 -3.992 -6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 387 -7.638 -2.010 -8.984 1.00 0.00 H new ATOM 0 HD3 LYS A 387 -8.076 -3.656 -9.393 1.00 0.00 H new ATOM 0 HE2 LYS A 387 -10.194 -2.793 -9.145 1.00 0.00 H new ATOM 0 HE3 LYS A 387 -9.916 -3.281 -7.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 387 -10.684 -0.849 -8.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 387 -9.713 -1.150 -6.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 387 -9.006 -0.603 -8.230 1.00 0.00 H new ATOM 342 N ASP A 388 -7.811 -3.199 -3.637 1.00 0.00 N ATOM 343 CA ASP A 388 -8.717 -4.045 -2.868 1.00 0.00 C ATOM 344 C ASP A 388 -9.785 -4.656 -3.769 1.00 0.00 C ATOM 345 O ASP A 388 -9.776 -4.457 -4.983 1.00 0.00 O ATOM 346 CB ASP A 388 -9.377 -3.237 -1.749 1.00 0.00 C ATOM 347 CG ASP A 388 -9.829 -4.109 -0.594 1.00 0.00 C ATOM 348 OD1 ASP A 388 -9.305 -5.234 -0.461 1.00 0.00 O ATOM 349 OD2 ASP A 388 -10.707 -3.666 0.176 1.00 0.00 O ATOM 0 H ASP A 388 -7.868 -2.206 -3.412 1.00 0.00 H new ATOM 0 HA ASP A 388 -8.134 -4.853 -2.426 1.00 0.00 H new ATOM 0 HB2 ASP A 388 -8.674 -2.489 -1.382 1.00 0.00 H new ATOM 0 HB3 ASP A 388 -10.235 -2.698 -2.151 1.00 0.00 H new ATOM 354 N ALA A 389 -10.705 -5.403 -3.166 1.00 0.00 N ATOM 355 CA ALA A 389 -11.780 -6.043 -3.913 1.00 0.00 C ATOM 356 C ALA A 389 -13.145 -5.618 -3.383 1.00 0.00 C ATOM 357 O ALA A 389 -14.003 -5.168 -4.143 1.00 0.00 O ATOM 358 CB ALA A 389 -11.636 -7.556 -3.853 1.00 0.00 C ATOM 0 H ALA A 389 -10.727 -5.579 -2.162 1.00 0.00 H new ATOM 0 HA ALA A 389 -11.707 -5.723 -4.953 1.00 0.00 H new ATOM 0 HB1 ALA A 389 -12.446 -8.021 -4.415 1.00 0.00 H new ATOM 0 HB2 ALA A 389 -10.679 -7.848 -4.286 1.00 0.00 H new ATOM 0 HB3 ALA A 389 -11.680 -7.885 -2.815 1.00 0.00 H new ATOM 364 N GLU A 390 -13.340 -5.765 -2.077 1.00 0.00 N ATOM 365 CA GLU A 390 -14.603 -5.397 -1.447 1.00 0.00 C ATOM 366 C GLU A 390 -14.913 -3.919 -1.671 1.00 0.00 C ATOM 367 O GLU A 390 -16.018 -3.559 -2.077 1.00 0.00 O ATOM 368 CB GLU A 390 -14.557 -5.698 0.053 1.00 0.00 C ATOM 369 CG GLU A 390 -14.814 -7.157 0.388 1.00 0.00 C ATOM 370 CD GLU A 390 -16.238 -7.584 0.088 1.00 0.00 C ATOM 371 OE1 GLU A 390 -17.149 -6.739 0.212 1.00 0.00 O ATOM 372 OE2 GLU A 390 -16.440 -8.762 -0.271 1.00 0.00 O ATOM 0 H GLU A 390 -12.640 -6.136 -1.434 1.00 0.00 H new ATOM 0 HA GLU A 390 -15.394 -5.990 -1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 390 -13.581 -5.411 0.443 1.00 0.00 H new ATOM 0 HB3 GLU A 390 -15.298 -5.081 0.562 1.00 0.00 H new ATOM 0 HG2 GLU A 390 -14.124 -7.783 -0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 390 -14.603 -7.326 1.444 1.00 0.00 H new ATOM 379 N THR A 391 -13.928 -3.067 -1.403 1.00 0.00 N ATOM 380 CA THR A 391 -14.095 -1.629 -1.573 1.00 0.00 C ATOM 381 C THR A 391 -13.739 -1.198 -2.991 1.00 0.00 C ATOM 382 O THR A 391 -14.530 -0.544 -3.669 1.00 0.00 O ATOM 383 CB THR A 391 -13.225 -0.841 -0.575 1.00 0.00 C ATOM 384 OG1 THR A 391 -11.886 -1.350 -0.584 1.00 0.00 O ATOM 385 CG2 THR A 391 -13.797 -0.931 0.831 1.00 0.00 C ATOM 0 H THR A 391 -13.007 -3.348 -1.067 1.00 0.00 H new ATOM 0 HA THR A 391 -15.145 -1.408 -1.382 1.00 0.00 H new ATOM 0 HB THR A 391 -13.218 0.205 -0.881 1.00 0.00 H new ATOM 0 HG1 THR A 391 -11.853 -2.192 -0.084 1.00 0.00 H new ATOM 0 HG21 THR A 391 -13.166 -0.367 1.517 1.00 0.00 H new ATOM 0 HG22 THR A 391 -14.805 -0.516 0.841 1.00 0.00 H new ATOM 0 HG23 THR A 391 -13.831 -1.975 1.144 1.00 0.00 H new ATOM 393 N GLY A 392 -12.542 -1.571 -3.435 1.00 0.00 N ATOM 394 CA GLY A 392 -12.102 -1.214 -4.771 1.00 0.00 C ATOM 395 C GLY A 392 -11.264 0.049 -4.788 1.00 0.00 C ATOM 396 O GLY A 392 -11.497 0.944 -5.600 1.00 0.00 O ATOM 0 H GLY A 392 -11.870 -2.114 -2.893 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -11.523 -2.036 -5.191 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -12.973 -1.077 -5.412 1.00 0.00 H new ATOM 400 N GLU A 393 -10.288 0.122 -3.889 1.00 0.00 N ATOM 401 CA GLU A 393 -9.415 1.287 -3.803 1.00 0.00 C ATOM 402 C GLU A 393 -8.019 0.960 -4.325 1.00 0.00 C ATOM 403 O GLU A 393 -7.658 -0.208 -4.472 1.00 0.00 O ATOM 404 CB GLU A 393 -9.328 1.781 -2.358 1.00 0.00 C ATOM 405 CG GLU A 393 -10.657 2.258 -1.796 1.00 0.00 C ATOM 406 CD GLU A 393 -10.650 2.355 -0.283 1.00 0.00 C ATOM 407 OE1 GLU A 393 -9.582 2.660 0.287 1.00 0.00 O ATOM 408 OE2 GLU A 393 -11.714 2.127 0.330 1.00 0.00 O ATOM 0 H GLU A 393 -10.082 -0.611 -3.210 1.00 0.00 H new ATOM 0 HA GLU A 393 -9.841 2.075 -4.424 1.00 0.00 H new ATOM 0 HB2 GLU A 393 -8.946 0.976 -1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 393 -8.607 2.597 -2.305 1.00 0.00 H new ATOM 0 HG2 GLU A 393 -10.896 3.234 -2.218 1.00 0.00 H new ATOM 0 HG3 GLU A 393 -11.446 1.574 -2.109 1.00 0.00 H new ATOM 415 N GLU A 394 -7.239 1.999 -4.603 1.00 0.00 N ATOM 416 CA GLU A 394 -5.883 1.822 -5.110 1.00 0.00 C ATOM 417 C GLU A 394 -4.862 1.924 -3.981 1.00 0.00 C ATOM 418 O GLU A 394 -4.420 3.017 -3.625 1.00 0.00 O ATOM 419 CB GLU A 394 -5.576 2.867 -6.185 1.00 0.00 C ATOM 420 CG GLU A 394 -4.510 2.428 -7.174 1.00 0.00 C ATOM 421 CD GLU A 394 -3.105 2.735 -6.692 1.00 0.00 C ATOM 422 OE1 GLU A 394 -2.680 2.139 -5.681 1.00 0.00 O ATOM 423 OE2 GLU A 394 -2.431 3.574 -7.327 1.00 0.00 O ATOM 0 H GLU A 394 -7.522 2.972 -4.486 1.00 0.00 H new ATOM 0 HA GLU A 394 -5.815 0.827 -5.550 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -6.492 3.096 -6.729 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -5.253 3.789 -5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -4.603 1.357 -7.351 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -4.679 2.925 -8.129 1.00 0.00 H new ATOM 430 N VAL A 395 -4.493 0.777 -3.419 1.00 0.00 N ATOM 431 CA VAL A 395 -3.524 0.736 -2.330 1.00 0.00 C ATOM 432 C VAL A 395 -2.125 0.428 -2.851 1.00 0.00 C ATOM 433 O VAL A 395 -1.899 -0.601 -3.488 1.00 0.00 O ATOM 434 CB VAL A 395 -3.910 -0.318 -1.276 1.00 0.00 C ATOM 435 CG1 VAL A 395 -2.905 -0.325 -0.134 1.00 0.00 C ATOM 436 CG2 VAL A 395 -5.317 -0.062 -0.757 1.00 0.00 C ATOM 0 H VAL A 395 -4.850 -0.136 -3.700 1.00 0.00 H new ATOM 0 HA VAL A 395 -3.527 1.722 -1.866 1.00 0.00 H new ATOM 0 HB VAL A 395 -3.894 -1.300 -1.748 1.00 0.00 H new ATOM 0 HG11 VAL A 395 -3.195 -1.076 0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 395 -1.914 -0.561 -0.523 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -2.885 0.657 0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 395 -5.573 -0.816 -0.013 1.00 0.00 H new ATOM 0 HG22 VAL A 395 -5.362 0.927 -0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 395 -6.025 -0.113 -1.584 1.00 0.00 H new ATOM 446 N THR A 396 -1.186 1.329 -2.576 1.00 0.00 N ATOM 447 CA THR A 396 0.192 1.155 -3.017 1.00 0.00 C ATOM 448 C THR A 396 1.113 0.858 -1.839 1.00 0.00 C ATOM 449 O THR A 396 1.273 1.684 -0.940 1.00 0.00 O ATOM 450 CB THR A 396 0.708 2.406 -3.755 1.00 0.00 C ATOM 451 OG1 THR A 396 -0.151 2.712 -4.858 1.00 0.00 O ATOM 452 CG2 THR A 396 2.128 2.191 -4.255 1.00 0.00 C ATOM 0 H THR A 396 -1.355 2.186 -2.050 1.00 0.00 H new ATOM 0 HA THR A 396 0.200 0.308 -3.703 1.00 0.00 H new ATOM 0 HB THR A 396 0.709 3.241 -3.054 1.00 0.00 H new ATOM 0 HG1 THR A 396 -0.958 2.158 -4.808 1.00 0.00 H new ATOM 0 HG21 THR A 396 2.471 3.087 -4.773 1.00 0.00 H new ATOM 0 HG22 THR A 396 2.785 1.987 -3.409 1.00 0.00 H new ATOM 0 HG23 THR A 396 2.148 1.345 -4.942 1.00 0.00 H new ATOM 460 N HIS A 397 1.717 -0.326 -1.850 1.00 0.00 N ATOM 461 CA HIS A 397 2.624 -0.731 -0.783 1.00 0.00 C ATOM 462 C HIS A 397 4.071 -0.411 -1.147 1.00 0.00 C ATOM 463 O HIS A 397 4.443 -0.424 -2.321 1.00 0.00 O ATOM 464 CB HIS A 397 2.477 -2.227 -0.500 1.00 0.00 C ATOM 465 CG HIS A 397 1.078 -2.636 -0.154 1.00 0.00 C ATOM 466 ND1 HIS A 397 0.053 -2.666 -1.076 1.00 0.00 N ATOM 467 CD2 HIS A 397 0.537 -3.035 1.021 1.00 0.00 C ATOM 468 CE1 HIS A 397 -1.058 -3.064 -0.483 1.00 0.00 C ATOM 469 NE2 HIS A 397 -0.792 -3.295 0.790 1.00 0.00 N ATOM 0 H HIS A 397 1.594 -1.021 -2.586 1.00 0.00 H new ATOM 0 HA HIS A 397 2.361 -0.171 0.114 1.00 0.00 H new ATOM 0 HB2 HIS A 397 2.805 -2.788 -1.375 1.00 0.00 H new ATOM 0 HB3 HIS A 397 3.140 -2.500 0.321 1.00 0.00 H new ATOM 0 HD2 HIS A 397 1.054 -3.131 1.964 1.00 0.00 H new ATOM 0 HE1 HIS A 397 -2.021 -3.181 -0.958 1.00 0.00 H new ATOM 0 HE2 HIS A 397 -1.464 -3.614 1.488 1.00 0.00 H new ATOM 477 N TYR A 398 4.880 -0.122 -0.135 1.00 0.00 N ATOM 478 CA TYR A 398 6.285 0.206 -0.349 1.00 0.00 C ATOM 479 C TYR A 398 7.181 -0.603 0.583 1.00 0.00 C ATOM 480 O TYR A 398 7.088 -0.491 1.806 1.00 0.00 O ATOM 481 CB TYR A 398 6.521 1.701 -0.131 1.00 0.00 C ATOM 482 CG TYR A 398 6.127 2.555 -1.315 1.00 0.00 C ATOM 483 CD1 TYR A 398 4.814 2.977 -1.486 1.00 0.00 C ATOM 484 CD2 TYR A 398 7.067 2.939 -2.264 1.00 0.00 C ATOM 485 CE1 TYR A 398 4.449 3.757 -2.566 1.00 0.00 C ATOM 486 CE2 TYR A 398 6.711 3.720 -3.346 1.00 0.00 C ATOM 487 CZ TYR A 398 5.401 4.126 -3.493 1.00 0.00 C ATOM 488 OH TYR A 398 5.042 4.903 -4.571 1.00 0.00 O ATOM 0 H TYR A 398 4.588 -0.108 0.842 1.00 0.00 H new ATOM 0 HA TYR A 398 6.538 -0.048 -1.378 1.00 0.00 H new ATOM 0 HB2 TYR A 398 5.958 2.025 0.744 1.00 0.00 H new ATOM 0 HB3 TYR A 398 7.576 1.865 0.090 1.00 0.00 H new ATOM 0 HD1 TYR A 398 4.066 2.690 -0.762 1.00 0.00 H new ATOM 0 HD2 TYR A 398 8.093 2.621 -2.153 1.00 0.00 H new ATOM 0 HE1 TYR A 398 3.424 4.076 -2.684 1.00 0.00 H new ATOM 0 HE2 TYR A 398 7.454 4.011 -4.073 1.00 0.00 H new ATOM 0 HH TYR A 398 5.830 5.074 -5.128 1.00 0.00 H new ATOM 498 N LEU A 399 8.051 -1.418 -0.003 1.00 0.00 N ATOM 499 CA LEU A 399 8.967 -2.247 0.774 1.00 0.00 C ATOM 500 C LEU A 399 10.003 -1.388 1.492 1.00 0.00 C ATOM 501 O LEU A 399 10.942 -0.884 0.876 1.00 0.00 O ATOM 502 CB LEU A 399 9.668 -3.258 -0.136 1.00 0.00 C ATOM 503 CG LEU A 399 10.526 -4.310 0.567 1.00 0.00 C ATOM 504 CD1 LEU A 399 9.756 -4.950 1.711 1.00 0.00 C ATOM 505 CD2 LEU A 399 10.990 -5.368 -0.424 1.00 0.00 C ATOM 0 H LEU A 399 8.142 -1.523 -1.014 1.00 0.00 H new ATOM 0 HA LEU A 399 8.385 -2.784 1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 399 8.910 -3.772 -0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 399 10.300 -2.710 -0.835 1.00 0.00 H new ATOM 0 HG LEU A 399 11.406 -3.817 0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 399 10.383 -5.696 2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 399 9.474 -4.184 2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 399 8.858 -5.430 1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 399 11.600 -6.109 0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 399 10.122 -5.857 -0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 399 11.581 -4.897 -1.209 1.00 0.00 H new ATOM 517 N VAL A 400 9.826 -1.227 2.800 1.00 0.00 N ATOM 518 CA VAL A 400 10.747 -0.432 3.603 1.00 0.00 C ATOM 519 C VAL A 400 11.742 -1.321 4.340 1.00 0.00 C ATOM 520 O VAL A 400 11.368 -2.338 4.925 1.00 0.00 O ATOM 521 CB VAL A 400 9.993 0.436 4.628 1.00 0.00 C ATOM 522 CG1 VAL A 400 10.898 1.531 5.170 1.00 0.00 C ATOM 523 CG2 VAL A 400 8.739 1.029 4.004 1.00 0.00 C ATOM 0 H VAL A 400 9.054 -1.637 3.325 1.00 0.00 H new ATOM 0 HA VAL A 400 11.286 0.218 2.914 1.00 0.00 H new ATOM 0 HB VAL A 400 9.691 -0.198 5.462 1.00 0.00 H new ATOM 0 HG11 VAL A 400 10.348 2.134 5.892 1.00 0.00 H new ATOM 0 HG12 VAL A 400 11.763 1.080 5.657 1.00 0.00 H new ATOM 0 HG13 VAL A 400 11.233 2.165 4.349 1.00 0.00 H new ATOM 0 HG21 VAL A 400 8.219 1.639 4.742 1.00 0.00 H new ATOM 0 HG22 VAL A 400 9.015 1.649 3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 400 8.083 0.225 3.671 1.00 0.00 H new ATOM 533 N LYS A 401 13.012 -0.931 4.309 1.00 0.00 N ATOM 534 CA LYS A 401 14.063 -1.691 4.976 1.00 0.00 C ATOM 535 C LYS A 401 14.525 -0.982 6.245 1.00 0.00 C ATOM 536 O LYS A 401 14.440 0.241 6.349 1.00 0.00 O ATOM 537 CB LYS A 401 15.250 -1.895 4.031 1.00 0.00 C ATOM 538 CG LYS A 401 15.172 -3.181 3.226 1.00 0.00 C ATOM 539 CD LYS A 401 16.553 -3.671 2.824 1.00 0.00 C ATOM 540 CE LYS A 401 17.247 -4.387 3.972 1.00 0.00 C ATOM 541 NZ LYS A 401 17.873 -3.429 4.925 1.00 0.00 N ATOM 0 H LYS A 401 13.339 -0.092 3.829 1.00 0.00 H new ATOM 0 HA LYS A 401 13.655 -2.663 5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 401 15.307 -1.050 3.345 1.00 0.00 H new ATOM 0 HB3 LYS A 401 16.171 -1.896 4.613 1.00 0.00 H new ATOM 0 HG2 LYS A 401 14.669 -3.949 3.813 1.00 0.00 H new ATOM 0 HG3 LYS A 401 14.569 -3.017 2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 401 16.467 -4.346 1.972 1.00 0.00 H new ATOM 0 HD3 LYS A 401 17.160 -2.825 2.501 1.00 0.00 H new ATOM 0 HE2 LYS A 401 16.525 -5.008 4.503 1.00 0.00 H new ATOM 0 HE3 LYS A 401 18.011 -5.055 3.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 18.657 -3.897 5.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 18.236 -2.606 4.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 17.163 -3.114 5.617 1.00 0.00 H new ATOM 555 N TRP A 402 15.015 -1.758 7.205 1.00 0.00 N ATOM 556 CA TRP A 402 15.493 -1.204 8.466 1.00 0.00 C ATOM 557 C TRP A 402 16.233 -2.260 9.280 1.00 0.00 C ATOM 558 O TRP A 402 15.620 -3.182 9.820 1.00 0.00 O ATOM 559 CB TRP A 402 14.322 -0.645 9.277 1.00 0.00 C ATOM 560 CG TRP A 402 13.079 -1.476 9.176 1.00 0.00 C ATOM 561 CD1 TRP A 402 13.000 -2.790 8.813 1.00 0.00 C ATOM 562 CD2 TRP A 402 11.739 -1.049 9.439 1.00 0.00 C ATOM 563 NE1 TRP A 402 11.690 -3.205 8.835 1.00 0.00 N ATOM 564 CE2 TRP A 402 10.897 -2.156 9.217 1.00 0.00 C ATOM 565 CE3 TRP A 402 11.168 0.161 9.843 1.00 0.00 C ATOM 566 CZ2 TRP A 402 9.516 -2.086 9.384 1.00 0.00 C ATOM 567 CZ3 TRP A 402 9.797 0.228 10.009 1.00 0.00 C ATOM 568 CH2 TRP A 402 8.984 -0.890 9.780 1.00 0.00 C ATOM 0 H TRP A 402 15.092 -2.773 7.134 1.00 0.00 H new ATOM 0 HA TRP A 402 16.188 -0.396 8.239 1.00 0.00 H new ATOM 0 HB2 TRP A 402 14.617 -0.571 10.324 1.00 0.00 H new ATOM 0 HB3 TRP A 402 14.103 0.367 8.935 1.00 0.00 H new ATOM 0 HD1 TRP A 402 13.843 -3.411 8.548 1.00 0.00 H new ATOM 0 HE1 TRP A 402 11.362 -4.143 8.604 1.00 0.00 H new ATOM 0 HE3 TRP A 402 11.787 1.028 10.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 402 8.887 -2.946 9.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 402 9.345 1.158 10.321 1.00 0.00 H new ATOM 0 HH2 TRP A 402 7.916 -0.806 9.919 1.00 0.00 H new ATOM 579 N CYS A 403 17.551 -2.119 9.364 1.00 0.00 N ATOM 580 CA CYS A 403 18.374 -3.063 10.112 1.00 0.00 C ATOM 581 C CYS A 403 17.735 -3.395 11.457 1.00 0.00 C ATOM 582 O CYS A 403 17.565 -4.564 11.803 1.00 0.00 O ATOM 583 CB CYS A 403 19.775 -2.490 10.328 1.00 0.00 C ATOM 584 SG CYS A 403 20.966 -3.680 10.988 1.00 0.00 S ATOM 0 H CYS A 403 18.072 -1.361 8.924 1.00 0.00 H new ATOM 0 HA CYS A 403 18.450 -3.981 9.530 1.00 0.00 H new ATOM 0 HB2 CYS A 403 20.149 -2.106 9.379 1.00 0.00 H new ATOM 0 HB3 CYS A 403 19.708 -1.643 11.010 1.00 0.00 H new ATOM 0 HG CYS A 403 22.121 -3.102 11.134 1.00 0.00 H new ATOM 590 N SER A 404 17.384 -2.358 12.211 1.00 0.00 N ATOM 591 CA SER A 404 16.769 -2.540 13.521 1.00 0.00 C ATOM 592 C SER A 404 15.848 -3.757 13.525 1.00 0.00 C ATOM 593 O SER A 404 15.687 -4.424 14.547 1.00 0.00 O ATOM 594 CB SER A 404 15.981 -1.289 13.915 1.00 0.00 C ATOM 595 OG SER A 404 16.836 -0.166 14.040 1.00 0.00 O ATOM 0 H SER A 404 17.515 -1.384 11.938 1.00 0.00 H new ATOM 0 HA SER A 404 17.564 -2.705 14.249 1.00 0.00 H new ATOM 0 HB2 SER A 404 15.216 -1.086 13.165 1.00 0.00 H new ATOM 0 HB3 SER A 404 15.464 -1.463 14.859 1.00 0.00 H new ATOM 0 HG SER A 404 16.783 0.186 14.953 1.00 0.00 H new ATOM 601 N LEU A 405 15.247 -4.039 12.375 1.00 0.00 N ATOM 602 CA LEU A 405 14.342 -5.175 12.244 1.00 0.00 C ATOM 603 C LEU A 405 14.939 -6.246 11.336 1.00 0.00 C ATOM 604 O LEU A 405 15.757 -5.965 10.460 1.00 0.00 O ATOM 605 CB LEU A 405 12.992 -4.716 11.689 1.00 0.00 C ATOM 606 CG LEU A 405 12.042 -4.062 12.693 1.00 0.00 C ATOM 607 CD1 LEU A 405 10.994 -3.229 11.971 1.00 0.00 C ATOM 608 CD2 LEU A 405 11.378 -5.118 13.565 1.00 0.00 C ATOM 0 H LEU A 405 15.370 -3.497 11.520 1.00 0.00 H new ATOM 0 HA LEU A 405 14.194 -5.605 13.235 1.00 0.00 H new ATOM 0 HB2 LEU A 405 13.176 -4.010 10.879 1.00 0.00 H new ATOM 0 HB3 LEU A 405 12.489 -5.579 11.252 1.00 0.00 H new ATOM 0 HG LEU A 405 12.623 -3.401 13.336 1.00 0.00 H new ATOM 0 HD11 LEU A 405 10.327 -2.771 12.701 1.00 0.00 H new ATOM 0 HD12 LEU A 405 11.486 -2.449 11.390 1.00 0.00 H new ATOM 0 HD13 LEU A 405 10.417 -3.869 11.304 1.00 0.00 H new ATOM 0 HD21 LEU A 405 10.705 -4.634 14.274 1.00 0.00 H new ATOM 0 HD22 LEU A 405 10.811 -5.804 12.937 1.00 0.00 H new ATOM 0 HD23 LEU A 405 12.142 -5.672 14.110 1.00 0.00 H new ATOM 620 N PRO A 406 14.521 -7.502 11.548 1.00 0.00 N ATOM 621 CA PRO A 406 15.001 -8.640 10.757 1.00 0.00 C ATOM 622 C PRO A 406 14.486 -8.606 9.322 1.00 0.00 C ATOM 623 O PRO A 406 13.278 -8.571 9.086 1.00 0.00 O ATOM 624 CB PRO A 406 14.434 -9.852 11.499 1.00 0.00 C ATOM 625 CG PRO A 406 13.231 -9.334 12.209 1.00 0.00 C ATOM 626 CD PRO A 406 13.548 -7.910 12.575 1.00 0.00 C ATOM 0 HA PRO A 406 16.087 -8.646 10.670 1.00 0.00 H new ATOM 0 HB2 PRO A 406 14.171 -10.652 10.807 1.00 0.00 H new ATOM 0 HB3 PRO A 406 15.161 -10.263 12.200 1.00 0.00 H new ATOM 0 HG2 PRO A 406 12.349 -9.386 11.571 1.00 0.00 H new ATOM 0 HG3 PRO A 406 13.017 -9.927 13.098 1.00 0.00 H new ATOM 0 HD2 PRO A 406 12.657 -7.282 12.556 1.00 0.00 H new ATOM 0 HD3 PRO A 406 13.968 -7.837 13.578 1.00 0.00 H new ATOM 634 N TYR A 407 15.409 -8.617 8.367 1.00 0.00 N ATOM 635 CA TYR A 407 15.048 -8.586 6.954 1.00 0.00 C ATOM 636 C TYR A 407 13.850 -9.489 6.678 1.00 0.00 C ATOM 637 O TYR A 407 12.888 -9.080 6.029 1.00 0.00 O ATOM 638 CB TYR A 407 16.236 -9.018 6.093 1.00 0.00 C ATOM 639 CG TYR A 407 15.877 -9.263 4.645 1.00 0.00 C ATOM 640 CD1 TYR A 407 15.631 -8.203 3.781 1.00 0.00 C ATOM 641 CD2 TYR A 407 15.783 -10.554 4.141 1.00 0.00 C ATOM 642 CE1 TYR A 407 15.302 -8.422 2.457 1.00 0.00 C ATOM 643 CE2 TYR A 407 15.456 -10.782 2.818 1.00 0.00 C ATOM 644 CZ TYR A 407 15.216 -9.713 1.981 1.00 0.00 C ATOM 645 OH TYR A 407 14.888 -9.936 0.663 1.00 0.00 O ATOM 0 H TYR A 407 16.413 -8.647 8.545 1.00 0.00 H new ATOM 0 HA TYR A 407 14.775 -7.562 6.697 1.00 0.00 H new ATOM 0 HB2 TYR A 407 17.008 -8.250 6.142 1.00 0.00 H new ATOM 0 HB3 TYR A 407 16.665 -9.929 6.511 1.00 0.00 H new ATOM 0 HD1 TYR A 407 15.698 -7.190 4.151 1.00 0.00 H new ATOM 0 HD2 TYR A 407 15.969 -11.394 4.794 1.00 0.00 H new ATOM 0 HE1 TYR A 407 15.113 -7.587 1.799 1.00 0.00 H new ATOM 0 HE2 TYR A 407 15.389 -11.792 2.442 1.00 0.00 H new ATOM 0 HH TYR A 407 14.871 -10.900 0.489 1.00 0.00 H new ATOM 655 N GLU A 408 13.918 -10.720 7.177 1.00 0.00 N ATOM 656 CA GLU A 408 12.839 -11.681 6.984 1.00 0.00 C ATOM 657 C GLU A 408 11.478 -11.018 7.173 1.00 0.00 C ATOM 658 O GLU A 408 10.529 -11.305 6.444 1.00 0.00 O ATOM 659 CB GLU A 408 12.989 -12.851 7.958 1.00 0.00 C ATOM 660 CG GLU A 408 14.179 -13.747 7.657 1.00 0.00 C ATOM 661 CD GLU A 408 14.433 -14.767 8.749 1.00 0.00 C ATOM 662 OE1 GLU A 408 13.449 -15.329 9.275 1.00 0.00 O ATOM 663 OE2 GLU A 408 15.614 -15.003 9.078 1.00 0.00 O ATOM 0 H GLU A 408 14.708 -11.074 7.717 1.00 0.00 H new ATOM 0 HA GLU A 408 12.901 -12.057 5.963 1.00 0.00 H new ATOM 0 HB2 GLU A 408 13.087 -12.459 8.970 1.00 0.00 H new ATOM 0 HB3 GLU A 408 12.079 -13.450 7.935 1.00 0.00 H new ATOM 0 HG2 GLU A 408 14.009 -14.265 6.713 1.00 0.00 H new ATOM 0 HG3 GLU A 408 15.069 -13.131 7.526 1.00 0.00 H new ATOM 670 N GLU A 409 11.391 -10.130 8.158 1.00 0.00 N ATOM 671 CA GLU A 409 10.146 -9.426 8.445 1.00 0.00 C ATOM 672 C GLU A 409 10.005 -8.189 7.563 1.00 0.00 C ATOM 673 O GLU A 409 9.370 -7.208 7.949 1.00 0.00 O ATOM 674 CB GLU A 409 10.090 -9.024 9.920 1.00 0.00 C ATOM 675 CG GLU A 409 9.686 -10.159 10.846 1.00 0.00 C ATOM 676 CD GLU A 409 8.189 -10.403 10.851 1.00 0.00 C ATOM 677 OE1 GLU A 409 7.457 -9.583 11.444 1.00 0.00 O ATOM 678 OE2 GLU A 409 7.750 -11.414 10.263 1.00 0.00 O ATOM 0 H GLU A 409 12.167 -9.881 8.771 1.00 0.00 H new ATOM 0 HA GLU A 409 9.318 -10.101 8.229 1.00 0.00 H new ATOM 0 HB2 GLU A 409 11.068 -8.650 10.223 1.00 0.00 H new ATOM 0 HB3 GLU A 409 9.384 -8.202 10.037 1.00 0.00 H new ATOM 0 HG2 GLU A 409 10.198 -11.072 10.541 1.00 0.00 H new ATOM 0 HG3 GLU A 409 10.017 -9.931 11.859 1.00 0.00 H new ATOM 685 N SER A 410 10.603 -8.244 6.377 1.00 0.00 N ATOM 686 CA SER A 410 10.548 -7.126 5.441 1.00 0.00 C ATOM 687 C SER A 410 9.103 -6.761 5.115 1.00 0.00 C ATOM 688 O SER A 410 8.467 -7.389 4.268 1.00 0.00 O ATOM 689 CB SER A 410 11.301 -7.473 4.155 1.00 0.00 C ATOM 690 OG SER A 410 12.666 -7.104 4.248 1.00 0.00 O ATOM 0 H SER A 410 11.131 -9.050 6.041 1.00 0.00 H new ATOM 0 HA SER A 410 11.024 -6.266 5.912 1.00 0.00 H new ATOM 0 HB2 SER A 410 11.223 -8.543 3.961 1.00 0.00 H new ATOM 0 HB3 SER A 410 10.839 -6.962 3.310 1.00 0.00 H new ATOM 0 HG SER A 410 13.123 -7.697 4.881 1.00 0.00 H new ATOM 696 N THR A 411 8.589 -5.741 5.795 1.00 0.00 N ATOM 697 CA THR A 411 7.219 -5.291 5.580 1.00 0.00 C ATOM 698 C THR A 411 7.145 -4.276 4.445 1.00 0.00 C ATOM 699 O THR A 411 8.170 -3.776 3.979 1.00 0.00 O ATOM 700 CB THR A 411 6.628 -4.662 6.855 1.00 0.00 C ATOM 701 OG1 THR A 411 5.250 -4.332 6.645 1.00 0.00 O ATOM 702 CG2 THR A 411 7.400 -3.413 7.251 1.00 0.00 C ATOM 0 H THR A 411 9.101 -5.211 6.500 1.00 0.00 H new ATOM 0 HA THR A 411 6.635 -6.172 5.314 1.00 0.00 H new ATOM 0 HB THR A 411 6.708 -5.389 7.663 1.00 0.00 H new ATOM 0 HG1 THR A 411 4.881 -3.934 7.461 1.00 0.00 H new ATOM 0 HG21 THR A 411 6.964 -2.987 8.154 1.00 0.00 H new ATOM 0 HG22 THR A 411 8.442 -3.673 7.439 1.00 0.00 H new ATOM 0 HG23 THR A 411 7.349 -2.682 6.444 1.00 0.00 H new ATOM 710 N TRP A 412 5.929 -3.975 4.005 1.00 0.00 N ATOM 711 CA TRP A 412 5.722 -3.018 2.924 1.00 0.00 C ATOM 712 C TRP A 412 4.766 -1.911 3.353 1.00 0.00 C ATOM 713 O TRP A 412 3.565 -1.982 3.096 1.00 0.00 O ATOM 714 CB TRP A 412 5.177 -3.728 1.684 1.00 0.00 C ATOM 715 CG TRP A 412 6.106 -4.769 1.139 1.00 0.00 C ATOM 716 CD1 TRP A 412 6.556 -5.886 1.784 1.00 0.00 C ATOM 717 CD2 TRP A 412 6.701 -4.789 -0.164 1.00 0.00 C ATOM 718 NE1 TRP A 412 7.395 -6.598 0.961 1.00 0.00 N ATOM 719 CE2 TRP A 412 7.499 -5.947 -0.239 1.00 0.00 C ATOM 720 CE3 TRP A 412 6.636 -3.943 -1.274 1.00 0.00 C ATOM 721 CZ2 TRP A 412 8.226 -6.277 -1.380 1.00 0.00 C ATOM 722 CZ3 TRP A 412 7.358 -4.271 -2.405 1.00 0.00 C ATOM 723 CH2 TRP A 412 8.144 -5.430 -2.452 1.00 0.00 C ATOM 0 H TRP A 412 5.071 -4.380 4.380 1.00 0.00 H new ATOM 0 HA TRP A 412 6.684 -2.567 2.682 1.00 0.00 H new ATOM 0 HB2 TRP A 412 4.224 -4.196 1.931 1.00 0.00 H new ATOM 0 HB3 TRP A 412 4.977 -2.988 0.909 1.00 0.00 H new ATOM 0 HD1 TRP A 412 6.291 -6.168 2.792 1.00 0.00 H new ATOM 0 HE1 TRP A 412 7.864 -7.470 1.205 1.00 0.00 H new ATOM 0 HE3 TRP A 412 6.032 -3.048 -1.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 412 8.833 -7.170 -1.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 412 7.316 -3.623 -3.268 1.00 0.00 H new ATOM 0 HH2 TRP A 412 8.696 -5.659 -3.352 1.00 0.00 H new ATOM 734 N GLU A 413 5.307 -0.888 4.008 1.00 0.00 N ATOM 735 CA GLU A 413 4.500 0.234 4.473 1.00 0.00 C ATOM 736 C GLU A 413 3.901 0.998 3.295 1.00 0.00 C ATOM 737 O GLU A 413 4.607 1.366 2.356 1.00 0.00 O ATOM 738 CB GLU A 413 5.344 1.178 5.331 1.00 0.00 C ATOM 739 CG GLU A 413 6.040 0.487 6.491 1.00 0.00 C ATOM 740 CD GLU A 413 6.556 1.466 7.528 1.00 0.00 C ATOM 741 OE1 GLU A 413 7.277 2.411 7.146 1.00 0.00 O ATOM 742 OE2 GLU A 413 6.239 1.286 8.723 1.00 0.00 O ATOM 0 H GLU A 413 6.300 -0.813 4.228 1.00 0.00 H new ATOM 0 HA GLU A 413 3.685 -0.164 5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 413 6.094 1.656 4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 413 4.705 1.970 5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 413 5.346 -0.207 6.965 1.00 0.00 H new ATOM 0 HG3 GLU A 413 6.872 -0.105 6.110 1.00 0.00 H new ATOM 749 N LEU A 414 2.594 1.231 3.352 1.00 0.00 N ATOM 750 CA LEU A 414 1.899 1.950 2.291 1.00 0.00 C ATOM 751 C LEU A 414 2.598 3.269 1.977 1.00 0.00 C ATOM 752 O LEU A 414 3.646 3.576 2.545 1.00 0.00 O ATOM 753 CB LEU A 414 0.446 2.214 2.693 1.00 0.00 C ATOM 754 CG LEU A 414 -0.383 0.982 3.059 1.00 0.00 C ATOM 755 CD1 LEU A 414 -1.705 1.396 3.687 1.00 0.00 C ATOM 756 CD2 LEU A 414 -0.622 0.117 1.830 1.00 0.00 C ATOM 0 H LEU A 414 1.995 0.932 4.122 1.00 0.00 H new ATOM 0 HA LEU A 414 1.915 1.329 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 414 0.443 2.895 3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -0.050 2.730 1.871 1.00 0.00 H new ATOM 0 HG LEU A 414 0.175 0.395 3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -2.282 0.506 3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -1.513 1.974 4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -2.269 2.004 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -1.213 -0.755 2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -1.159 0.694 1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 414 0.335 -0.209 1.423 1.00 0.00 H new ATOM 768 N GLU A 415 2.011 4.044 1.071 1.00 0.00 N ATOM 769 CA GLU A 415 2.578 5.330 0.684 1.00 0.00 C ATOM 770 C GLU A 415 2.189 6.419 1.680 1.00 0.00 C ATOM 771 O GLU A 415 2.327 7.609 1.399 1.00 0.00 O ATOM 772 CB GLU A 415 2.110 5.717 -0.721 1.00 0.00 C ATOM 773 CG GLU A 415 2.956 6.801 -1.367 1.00 0.00 C ATOM 774 CD GLU A 415 2.286 7.418 -2.580 1.00 0.00 C ATOM 775 OE1 GLU A 415 2.443 6.868 -3.689 1.00 0.00 O ATOM 776 OE2 GLU A 415 1.604 8.452 -2.418 1.00 0.00 O ATOM 0 H GLU A 415 1.143 3.804 0.591 1.00 0.00 H new ATOM 0 HA GLU A 415 3.664 5.234 0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 415 2.123 4.831 -1.356 1.00 0.00 H new ATOM 0 HB3 GLU A 415 1.076 6.057 -0.669 1.00 0.00 H new ATOM 0 HG2 GLU A 415 3.162 7.581 -0.634 1.00 0.00 H new ATOM 0 HG3 GLU A 415 3.917 6.379 -1.662 1.00 0.00 H new ATOM 783 N GLU A 416 1.701 6.001 2.844 1.00 0.00 N ATOM 784 CA GLU A 416 1.291 6.940 3.880 1.00 0.00 C ATOM 785 C GLU A 416 2.310 6.977 5.016 1.00 0.00 C ATOM 786 O GLU A 416 2.831 8.038 5.362 1.00 0.00 O ATOM 787 CB GLU A 416 -0.086 6.559 4.428 1.00 0.00 C ATOM 788 CG GLU A 416 -1.231 6.897 3.488 1.00 0.00 C ATOM 789 CD GLU A 416 -2.580 6.473 4.034 1.00 0.00 C ATOM 790 OE1 GLU A 416 -2.649 5.406 4.679 1.00 0.00 O ATOM 791 OE2 GLU A 416 -3.566 7.208 3.818 1.00 0.00 O ATOM 0 H GLU A 416 1.580 5.019 3.092 1.00 0.00 H new ATOM 0 HA GLU A 416 1.235 7.933 3.433 1.00 0.00 H new ATOM 0 HB2 GLU A 416 -0.102 5.489 4.636 1.00 0.00 H new ATOM 0 HB3 GLU A 416 -0.244 7.070 5.378 1.00 0.00 H new ATOM 0 HG2 GLU A 416 -1.239 7.971 3.304 1.00 0.00 H new ATOM 0 HG3 GLU A 416 -1.063 6.410 2.527 1.00 0.00 H new ATOM 798 N ASP A 417 2.588 5.813 5.591 1.00 0.00 N ATOM 799 CA ASP A 417 3.545 5.710 6.687 1.00 0.00 C ATOM 800 C ASP A 417 4.952 6.062 6.214 1.00 0.00 C ATOM 801 O ASP A 417 5.702 6.742 6.916 1.00 0.00 O ATOM 802 CB ASP A 417 3.529 4.299 7.276 1.00 0.00 C ATOM 803 CG ASP A 417 4.268 4.215 8.597 1.00 0.00 C ATOM 804 OD1 ASP A 417 3.646 4.491 9.644 1.00 0.00 O ATOM 805 OD2 ASP A 417 5.469 3.871 8.583 1.00 0.00 O ATOM 0 H ASP A 417 2.164 4.927 5.317 1.00 0.00 H new ATOM 0 HA ASP A 417 3.253 6.421 7.460 1.00 0.00 H new ATOM 0 HB2 ASP A 417 2.497 3.980 7.420 1.00 0.00 H new ATOM 0 HB3 ASP A 417 3.981 3.607 6.566 1.00 0.00 H new ATOM 810 N VAL A 418 5.304 5.594 5.021 1.00 0.00 N ATOM 811 CA VAL A 418 6.621 5.859 4.455 1.00 0.00 C ATOM 812 C VAL A 418 6.864 7.356 4.303 1.00 0.00 C ATOM 813 O VAL A 418 5.923 8.135 4.152 1.00 0.00 O ATOM 814 CB VAL A 418 6.788 5.181 3.082 1.00 0.00 C ATOM 815 CG1 VAL A 418 8.005 5.736 2.357 1.00 0.00 C ATOM 816 CG2 VAL A 418 6.894 3.672 3.242 1.00 0.00 C ATOM 0 H VAL A 418 4.696 5.030 4.428 1.00 0.00 H new ATOM 0 HA VAL A 418 7.352 5.444 5.149 1.00 0.00 H new ATOM 0 HB VAL A 418 5.906 5.398 2.479 1.00 0.00 H new ATOM 0 HG11 VAL A 418 8.107 5.245 1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 418 7.882 6.809 2.209 1.00 0.00 H new ATOM 0 HG13 VAL A 418 8.899 5.552 2.953 1.00 0.00 H new ATOM 0 HG21 VAL A 418 7.011 3.210 2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 418 7.757 3.432 3.862 1.00 0.00 H new ATOM 0 HG23 VAL A 418 5.989 3.292 3.716 1.00 0.00 H new ATOM 826 N ASP A 419 8.131 7.752 4.345 1.00 0.00 N ATOM 827 CA ASP A 419 8.498 9.157 4.211 1.00 0.00 C ATOM 828 C ASP A 419 8.475 9.587 2.747 1.00 0.00 C ATOM 829 O ASP A 419 8.873 8.843 1.850 1.00 0.00 O ATOM 830 CB ASP A 419 9.885 9.403 4.806 1.00 0.00 C ATOM 831 CG ASP A 419 10.035 10.804 5.365 1.00 0.00 C ATOM 832 OD1 ASP A 419 9.391 11.105 6.391 1.00 0.00 O ATOM 833 OD2 ASP A 419 10.796 11.600 4.775 1.00 0.00 O ATOM 0 H ASP A 419 8.922 7.120 4.471 1.00 0.00 H new ATOM 0 HA ASP A 419 7.766 9.752 4.758 1.00 0.00 H new ATOM 0 HB2 ASP A 419 10.071 8.677 5.598 1.00 0.00 H new ATOM 0 HB3 ASP A 419 10.641 9.238 4.038 1.00 0.00 H new ATOM 838 N PRO A 420 7.999 10.816 2.499 1.00 0.00 N ATOM 839 CA PRO A 420 7.912 11.372 1.145 1.00 0.00 C ATOM 840 C PRO A 420 9.284 11.679 0.556 1.00 0.00 C ATOM 841 O PRO A 420 9.471 11.640 -0.660 1.00 0.00 O ATOM 842 CB PRO A 420 7.115 12.664 1.343 1.00 0.00 C ATOM 843 CG PRO A 420 7.360 13.047 2.762 1.00 0.00 C ATOM 844 CD PRO A 420 7.508 11.757 3.520 1.00 0.00 C ATOM 0 HA PRO A 420 7.452 10.673 0.446 1.00 0.00 H new ATOM 0 HB2 PRO A 420 7.449 13.444 0.659 1.00 0.00 H new ATOM 0 HB3 PRO A 420 6.053 12.507 1.153 1.00 0.00 H new ATOM 0 HG2 PRO A 420 8.259 13.658 2.852 1.00 0.00 H new ATOM 0 HG3 PRO A 420 6.533 13.638 3.155 1.00 0.00 H new ATOM 0 HD2 PRO A 420 8.211 11.855 4.347 1.00 0.00 H new ATOM 0 HD3 PRO A 420 6.559 11.430 3.945 1.00 0.00 H new ATOM 852 N ALA A 421 10.242 11.983 1.425 1.00 0.00 N ATOM 853 CA ALA A 421 11.598 12.294 0.990 1.00 0.00 C ATOM 854 C ALA A 421 12.341 11.032 0.565 1.00 0.00 C ATOM 855 O ALA A 421 12.916 10.974 -0.523 1.00 0.00 O ATOM 856 CB ALA A 421 12.358 13.007 2.099 1.00 0.00 C ATOM 0 H ALA A 421 10.104 12.021 2.435 1.00 0.00 H new ATOM 0 HA ALA A 421 11.533 12.955 0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 421 13.369 13.233 1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 421 11.845 13.934 2.354 1.00 0.00 H new ATOM 0 HB3 ALA A 421 12.405 12.365 2.979 1.00 0.00 H new ATOM 862 N LYS A 422 12.326 10.023 1.429 1.00 0.00 N ATOM 863 CA LYS A 422 12.998 8.760 1.143 1.00 0.00 C ATOM 864 C LYS A 422 12.507 8.169 -0.175 1.00 0.00 C ATOM 865 O LYS A 422 13.303 7.735 -1.007 1.00 0.00 O ATOM 866 CB LYS A 422 12.762 7.764 2.281 1.00 0.00 C ATOM 867 CG LYS A 422 13.794 7.854 3.392 1.00 0.00 C ATOM 868 CD LYS A 422 13.370 8.840 4.468 1.00 0.00 C ATOM 869 CE LYS A 422 14.297 8.782 5.672 1.00 0.00 C ATOM 870 NZ LYS A 422 13.929 7.680 6.604 1.00 0.00 N ATOM 0 H LYS A 422 11.856 10.055 2.334 1.00 0.00 H new ATOM 0 HA LYS A 422 14.067 8.957 1.057 1.00 0.00 H new ATOM 0 HB2 LYS A 422 11.771 7.935 2.702 1.00 0.00 H new ATOM 0 HB3 LYS A 422 12.766 6.753 1.874 1.00 0.00 H new ATOM 0 HG2 LYS A 422 13.939 6.869 3.836 1.00 0.00 H new ATOM 0 HG3 LYS A 422 14.754 8.160 2.975 1.00 0.00 H new ATOM 0 HD2 LYS A 422 13.368 9.850 4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 422 12.349 8.621 4.782 1.00 0.00 H new ATOM 0 HE2 LYS A 422 15.324 8.643 5.333 1.00 0.00 H new ATOM 0 HE3 LYS A 422 14.262 9.733 6.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 422 14.785 7.325 7.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 422 13.262 8.037 7.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 422 13.483 6.908 6.069 1.00 0.00 H new ATOM 884 N VAL A 423 11.190 8.156 -0.358 1.00 0.00 N ATOM 885 CA VAL A 423 10.593 7.620 -1.576 1.00 0.00 C ATOM 886 C VAL A 423 11.032 8.416 -2.799 1.00 0.00 C ATOM 887 O VAL A 423 11.575 7.860 -3.754 1.00 0.00 O ATOM 888 CB VAL A 423 9.055 7.627 -1.497 1.00 0.00 C ATOM 889 CG1 VAL A 423 8.451 7.152 -2.809 1.00 0.00 C ATOM 890 CG2 VAL A 423 8.577 6.765 -0.337 1.00 0.00 C ATOM 0 H VAL A 423 10.517 8.510 0.321 1.00 0.00 H new ATOM 0 HA VAL A 423 10.940 6.591 -1.672 1.00 0.00 H new ATOM 0 HB VAL A 423 8.722 8.650 -1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 423 7.364 7.164 -2.734 1.00 0.00 H new ATOM 0 HG12 VAL A 423 8.766 7.814 -3.616 1.00 0.00 H new ATOM 0 HG13 VAL A 423 8.789 6.137 -3.019 1.00 0.00 H new ATOM 0 HG21 VAL A 423 7.488 6.781 -0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 423 8.919 5.740 -0.480 1.00 0.00 H new ATOM 0 HG23 VAL A 423 8.981 7.155 0.597 1.00 0.00 H new ATOM 900 N LYS A 424 10.794 9.723 -2.764 1.00 0.00 N ATOM 901 CA LYS A 424 11.165 10.599 -3.869 1.00 0.00 C ATOM 902 C LYS A 424 12.522 10.204 -4.444 1.00 0.00 C ATOM 903 O LYS A 424 12.653 9.971 -5.645 1.00 0.00 O ATOM 904 CB LYS A 424 11.202 12.056 -3.402 1.00 0.00 C ATOM 905 CG LYS A 424 11.066 13.061 -4.533 1.00 0.00 C ATOM 906 CD LYS A 424 9.609 13.335 -4.864 1.00 0.00 C ATOM 907 CE LYS A 424 9.451 14.615 -5.670 1.00 0.00 C ATOM 908 NZ LYS A 424 9.876 14.435 -7.086 1.00 0.00 N ATOM 0 H LYS A 424 10.345 10.199 -1.981 1.00 0.00 H new ATOM 0 HA LYS A 424 10.413 10.494 -4.651 1.00 0.00 H new ATOM 0 HB2 LYS A 424 10.398 12.219 -2.684 1.00 0.00 H new ATOM 0 HB3 LYS A 424 12.140 12.237 -2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 424 11.558 13.993 -4.254 1.00 0.00 H new ATOM 0 HG3 LYS A 424 11.577 12.684 -5.419 1.00 0.00 H new ATOM 0 HD2 LYS A 424 9.199 12.497 -5.427 1.00 0.00 H new ATOM 0 HD3 LYS A 424 9.034 13.411 -3.941 1.00 0.00 H new ATOM 0 HE2 LYS A 424 8.410 14.936 -5.641 1.00 0.00 H new ATOM 0 HE3 LYS A 424 10.042 15.408 -5.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 9.753 15.330 -7.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 10.877 14.153 -7.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 9.295 13.696 -7.531 1.00 0.00 H new ATOM 922 N GLU A 425 13.527 10.129 -3.578 1.00 0.00 N ATOM 923 CA GLU A 425 14.874 9.761 -4.001 1.00 0.00 C ATOM 924 C GLU A 425 14.858 8.457 -4.793 1.00 0.00 C ATOM 925 O GLU A 425 15.410 8.378 -5.891 1.00 0.00 O ATOM 926 CB GLU A 425 15.794 9.621 -2.786 1.00 0.00 C ATOM 927 CG GLU A 425 16.132 10.946 -2.123 1.00 0.00 C ATOM 928 CD GLU A 425 17.355 11.606 -2.729 1.00 0.00 C ATOM 929 OE1 GLU A 425 17.739 11.223 -3.854 1.00 0.00 O ATOM 930 OE2 GLU A 425 17.928 12.505 -2.079 1.00 0.00 O ATOM 0 H GLU A 425 13.435 10.318 -2.580 1.00 0.00 H new ATOM 0 HA GLU A 425 15.254 10.553 -4.646 1.00 0.00 H new ATOM 0 HB2 GLU A 425 15.318 8.969 -2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 425 16.718 9.133 -3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 425 15.279 11.620 -2.210 1.00 0.00 H new ATOM 0 HG3 GLU A 425 16.302 10.783 -1.059 1.00 0.00 H new ATOM 937 N PHE A 426 14.220 7.437 -4.229 1.00 0.00 N ATOM 938 CA PHE A 426 14.133 6.135 -4.881 1.00 0.00 C ATOM 939 C PHE A 426 13.471 6.256 -6.251 1.00 0.00 C ATOM 940 O PHE A 426 13.775 5.494 -7.167 1.00 0.00 O ATOM 941 CB PHE A 426 13.347 5.155 -4.007 1.00 0.00 C ATOM 942 CG PHE A 426 12.812 3.973 -4.764 1.00 0.00 C ATOM 943 CD1 PHE A 426 13.613 2.869 -5.008 1.00 0.00 C ATOM 944 CD2 PHE A 426 11.508 3.967 -5.233 1.00 0.00 C ATOM 945 CE1 PHE A 426 13.123 1.780 -5.704 1.00 0.00 C ATOM 946 CE2 PHE A 426 11.013 2.880 -5.929 1.00 0.00 C ATOM 947 CZ PHE A 426 11.822 1.786 -6.166 1.00 0.00 C ATOM 0 H PHE A 426 13.756 7.486 -3.322 1.00 0.00 H new ATOM 0 HA PHE A 426 15.146 5.757 -5.019 1.00 0.00 H new ATOM 0 HB2 PHE A 426 13.992 4.800 -3.203 1.00 0.00 H new ATOM 0 HB3 PHE A 426 12.516 5.683 -3.539 1.00 0.00 H new ATOM 0 HD1 PHE A 426 14.632 2.859 -4.650 1.00 0.00 H new ATOM 0 HD2 PHE A 426 10.872 4.821 -5.053 1.00 0.00 H new ATOM 0 HE1 PHE A 426 13.757 0.925 -5.886 1.00 0.00 H new ATOM 0 HE2 PHE A 426 9.994 2.886 -6.287 1.00 0.00 H new ATOM 0 HZ PHE A 426 11.438 0.937 -6.712 1.00 0.00 H new ATOM 957 N GLU A 427 12.564 7.220 -6.380 1.00 0.00 N ATOM 958 CA GLU A 427 11.858 7.440 -7.637 1.00 0.00 C ATOM 959 C GLU A 427 12.785 8.056 -8.681 1.00 0.00 C ATOM 960 O GLU A 427 12.869 7.577 -9.811 1.00 0.00 O ATOM 961 CB GLU A 427 10.647 8.348 -7.415 1.00 0.00 C ATOM 962 CG GLU A 427 9.549 7.707 -6.582 1.00 0.00 C ATOM 963 CD GLU A 427 8.234 8.455 -6.674 1.00 0.00 C ATOM 964 OE1 GLU A 427 7.473 8.201 -7.630 1.00 0.00 O ATOM 965 OE2 GLU A 427 7.966 9.295 -5.790 1.00 0.00 O ATOM 0 H GLU A 427 12.301 7.860 -5.630 1.00 0.00 H new ATOM 0 HA GLU A 427 11.515 6.473 -8.006 1.00 0.00 H new ATOM 0 HB2 GLU A 427 10.976 9.264 -6.924 1.00 0.00 H new ATOM 0 HB3 GLU A 427 10.236 8.635 -8.383 1.00 0.00 H new ATOM 0 HG2 GLU A 427 9.401 6.679 -6.912 1.00 0.00 H new ATOM 0 HG3 GLU A 427 9.866 7.665 -5.540 1.00 0.00 H new ATOM 972 N SER A 428 13.478 9.122 -8.293 1.00 0.00 N ATOM 973 CA SER A 428 14.395 9.807 -9.196 1.00 0.00 C ATOM 974 C SER A 428 15.308 8.810 -9.902 1.00 0.00 C ATOM 975 O SER A 428 15.769 9.054 -11.018 1.00 0.00 O ATOM 976 CB SER A 428 15.235 10.828 -8.425 1.00 0.00 C ATOM 977 OG SER A 428 15.653 11.886 -9.270 1.00 0.00 O ATOM 0 H SER A 428 13.422 9.530 -7.360 1.00 0.00 H new ATOM 0 HA SER A 428 13.804 10.328 -9.949 1.00 0.00 H new ATOM 0 HB2 SER A 428 14.654 11.229 -7.595 1.00 0.00 H new ATOM 0 HB3 SER A 428 16.107 10.336 -7.995 1.00 0.00 H new ATOM 0 HG SER A 428 16.187 12.526 -8.754 1.00 0.00 H new ATOM 983 N LEU A 429 15.565 7.684 -9.245 1.00 0.00 N ATOM 984 CA LEU A 429 16.423 6.648 -9.809 1.00 0.00 C ATOM 985 C LEU A 429 16.020 6.329 -11.245 1.00 0.00 C ATOM 986 O LEU A 429 16.809 6.504 -12.174 1.00 0.00 O ATOM 987 CB LEU A 429 16.354 5.381 -8.955 1.00 0.00 C ATOM 988 CG LEU A 429 17.101 5.429 -7.621 1.00 0.00 C ATOM 989 CD1 LEU A 429 16.909 4.129 -6.855 1.00 0.00 C ATOM 990 CD2 LEU A 429 18.580 5.702 -7.848 1.00 0.00 C ATOM 0 H LEU A 429 15.191 7.465 -8.321 1.00 0.00 H new ATOM 0 HA LEU A 429 17.447 7.021 -9.813 1.00 0.00 H new ATOM 0 HB2 LEU A 429 15.306 5.159 -8.754 1.00 0.00 H new ATOM 0 HB3 LEU A 429 16.749 4.551 -9.540 1.00 0.00 H new ATOM 0 HG LEU A 429 16.689 6.243 -7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 429 17.447 4.181 -5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 429 15.848 3.975 -6.661 1.00 0.00 H new ATOM 0 HD13 LEU A 429 17.294 3.298 -7.446 1.00 0.00 H new ATOM 0 HD21 LEU A 429 19.096 5.733 -6.888 1.00 0.00 H new ATOM 0 HD22 LEU A 429 19.006 4.910 -8.464 1.00 0.00 H new ATOM 0 HD23 LEU A 429 18.700 6.659 -8.355 1.00 0.00 H new ATOM 1002 N GLN A 430 14.788 5.863 -11.419 1.00 0.00 N ATOM 1003 CA GLN A 430 14.281 5.522 -12.743 1.00 0.00 C ATOM 1004 C GLN A 430 13.763 6.762 -13.464 1.00 0.00 C ATOM 1005 O GLN A 430 13.099 7.609 -12.866 1.00 0.00 O ATOM 1006 CB GLN A 430 13.167 4.479 -12.632 1.00 0.00 C ATOM 1007 CG GLN A 430 12.348 4.597 -11.357 1.00 0.00 C ATOM 1008 CD GLN A 430 11.112 3.720 -11.374 1.00 0.00 C ATOM 1009 OE1 GLN A 430 10.251 3.856 -12.244 1.00 0.00 O ATOM 1010 NE2 GLN A 430 11.017 2.812 -10.410 1.00 0.00 N ATOM 0 H GLN A 430 14.123 5.713 -10.661 1.00 0.00 H new ATOM 0 HA GLN A 430 15.104 5.105 -13.323 1.00 0.00 H new ATOM 0 HB2 GLN A 430 12.503 4.576 -13.491 1.00 0.00 H new ATOM 0 HB3 GLN A 430 13.607 3.483 -12.680 1.00 0.00 H new ATOM 0 HG2 GLN A 430 12.970 4.325 -10.504 1.00 0.00 H new ATOM 0 HG3 GLN A 430 12.050 5.636 -11.216 1.00 0.00 H new ATOM 0 HE21 GLN A 430 11.754 2.733 -9.709 1.00 0.00 H new ATOM 0 HE22 GLN A 430 10.207 2.193 -10.370 1.00 0.00 H new ATOM 1019 N VAL A 431 14.072 6.864 -14.753 1.00 0.00 N ATOM 1020 CA VAL A 431 13.637 8.000 -15.556 1.00 0.00 C ATOM 1021 C VAL A 431 12.858 7.540 -16.783 1.00 0.00 C ATOM 1022 O VAL A 431 12.800 6.348 -17.083 1.00 0.00 O ATOM 1023 CB VAL A 431 14.834 8.855 -16.012 1.00 0.00 C ATOM 1024 CG1 VAL A 431 15.590 9.401 -14.810 1.00 0.00 C ATOM 1025 CG2 VAL A 431 15.757 8.044 -16.909 1.00 0.00 C ATOM 0 H VAL A 431 14.622 6.173 -15.263 1.00 0.00 H new ATOM 0 HA VAL A 431 12.987 8.605 -14.923 1.00 0.00 H new ATOM 0 HB VAL A 431 14.456 9.700 -16.587 1.00 0.00 H new ATOM 0 HG11 VAL A 431 16.432 10.002 -15.152 1.00 0.00 H new ATOM 0 HG12 VAL A 431 14.922 10.020 -14.211 1.00 0.00 H new ATOM 0 HG13 VAL A 431 15.958 8.573 -14.205 1.00 0.00 H new ATOM 0 HG21 VAL A 431 16.597 8.664 -17.222 1.00 0.00 H new ATOM 0 HG22 VAL A 431 16.129 7.178 -16.361 1.00 0.00 H new ATOM 0 HG23 VAL A 431 15.207 7.708 -17.788 1.00 0.00 H new TER 1035 VAL A 431