USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 575 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 63 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 65 GLN : amide:sc= 0 X(o=0,f=0.019) USER MOD Single : A 6 HIS : no HD1:sc= -0.0392 X(o=-0.039,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.49) USER MOD Single : A 9 HIS : no HE2:sc= 0.00159 X(o=0.0016,f=-0.02) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -90:sc= -0.626 USER MOD Single : A 48 MET CE :methyl 163:sc= 0 (180deg=-0.38) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -2.45 X(o=-2.4,f=-2.1) USER MOD Single : A 69 ASN : amide:sc= -0.575 K(o=-0.58,f=-0.049) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-0.57) USER MOD Single : A 79 TYR OH : rot 121:sc= 0.447 USER MOD Single : A 80 THR OG1 : rot -120:sc= -1.86! USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc=-0.00424 USER MOD Single : A 96 GLN : amide:sc= -0.0227 X(o=-0.023,f=-0.16) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N HIS A 6 -27.885 13.189 8.812 1.00 0.00 N ATOM 67 CA HIS A 6 -27.478 12.278 7.749 1.00 0.00 C ATOM 68 C HIS A 6 -26.232 11.496 8.150 1.00 0.00 C ATOM 69 O HIS A 6 -25.117 12.017 8.098 1.00 0.00 O ATOM 70 CB HIS A 6 -27.212 13.053 6.457 1.00 0.00 C ATOM 71 CG HIS A 6 -27.311 12.211 5.223 1.00 0.00 C ATOM 72 ND1 HIS A 6 -28.270 12.447 4.268 1.00 0.00 N ATOM 73 CD2 HIS A 6 -26.554 11.153 4.840 1.00 0.00 C ATOM 74 CE1 HIS A 6 -28.079 11.536 3.330 1.00 0.00 C ATOM 75 NE2 HIS A 6 -27.051 10.732 3.633 1.00 0.00 N ATOM 0 HA HIS A 6 -28.291 11.572 7.580 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -27.923 13.876 6.384 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -26.217 13.495 6.506 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -25.722 10.725 5.380 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -28.675 11.450 2.434 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -26.704 9.954 3.072 1.00 0.00 H new ATOM 83 N HIS A 7 -26.427 10.243 8.549 1.00 0.00 N ATOM 84 CA HIS A 7 -25.317 9.388 8.955 1.00 0.00 C ATOM 85 C HIS A 7 -25.239 8.145 8.078 1.00 0.00 C ATOM 86 O HIS A 7 -24.568 7.171 8.423 1.00 0.00 O ATOM 87 CB HIS A 7 -25.467 8.982 10.423 1.00 0.00 C ATOM 88 CG HIS A 7 -25.503 10.143 11.370 1.00 0.00 C ATOM 89 ND1 HIS A 7 -26.290 10.124 12.497 1.00 0.00 N ATOM 90 CD2 HIS A 7 -24.833 11.320 11.317 1.00 0.00 C ATOM 91 CE1 HIS A 7 -26.088 11.282 13.099 1.00 0.00 C ATOM 92 NE2 HIS A 7 -25.214 12.039 12.421 1.00 0.00 N ATOM 0 H HIS A 7 -27.343 9.797 8.600 1.00 0.00 H new ATOM 0 HA HIS A 7 -24.393 9.954 8.835 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -26.383 8.402 10.538 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -24.639 8.328 10.696 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -24.135 11.631 10.554 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -26.566 11.581 14.020 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -24.893 12.973 12.677 1.00 0.00 H new ATOM 100 N HIS A 8 -25.930 8.181 6.943 1.00 0.00 N ATOM 101 CA HIS A 8 -25.937 7.057 6.016 1.00 0.00 C ATOM 102 C HIS A 8 -24.625 6.983 5.244 1.00 0.00 C ATOM 103 O HIS A 8 -24.199 5.906 4.826 1.00 0.00 O ATOM 104 CB HIS A 8 -27.110 7.179 5.041 1.00 0.00 C ATOM 105 CG HIS A 8 -27.837 5.890 4.820 1.00 0.00 C ATOM 106 ND1 HIS A 8 -28.133 5.045 5.863 1.00 0.00 N ATOM 107 CD2 HIS A 8 -28.301 5.349 3.667 1.00 0.00 C ATOM 108 CE1 HIS A 8 -28.766 4.016 5.328 1.00 0.00 C ATOM 109 NE2 HIS A 8 -28.891 4.158 4.000 1.00 0.00 N ATOM 0 H HIS A 8 -26.493 8.978 6.644 1.00 0.00 H new ATOM 0 HA HIS A 8 -26.050 6.141 6.595 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -27.811 7.923 5.420 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -26.740 7.548 4.084 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -28.221 5.774 2.677 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -29.135 3.169 5.888 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -29.340 3.503 3.359 1.00 0.00 H new ATOM 117 N HIS A 9 -23.987 8.136 5.061 1.00 0.00 N ATOM 118 CA HIS A 9 -22.722 8.204 4.341 1.00 0.00 C ATOM 119 C HIS A 9 -21.585 8.604 5.275 1.00 0.00 C ATOM 120 O HIS A 9 -21.442 9.775 5.628 1.00 0.00 O ATOM 121 CB HIS A 9 -22.824 9.201 3.186 1.00 0.00 C ATOM 122 CG HIS A 9 -22.660 8.575 1.836 1.00 0.00 C ATOM 123 ND1 HIS A 9 -21.474 8.657 1.147 1.00 0.00 N ATOM 124 CD2 HIS A 9 -23.556 7.878 1.095 1.00 0.00 C ATOM 125 CE1 HIS A 9 -21.669 8.012 0.010 1.00 0.00 C ATOM 126 NE2 HIS A 9 -22.916 7.523 -0.064 1.00 0.00 N ATOM 0 H HIS A 9 -24.327 9.035 5.402 1.00 0.00 H new ATOM 0 HA HIS A 9 -22.506 7.214 3.940 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -23.793 9.698 3.231 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -22.064 9.972 3.314 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -20.618 9.121 1.451 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -24.576 7.647 1.365 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -20.921 7.894 -0.760 1.00 0.00 H new ATOM 134 N HIS A 10 -20.779 7.624 5.673 1.00 0.00 N ATOM 135 CA HIS A 10 -19.653 7.874 6.565 1.00 0.00 C ATOM 136 C HIS A 10 -18.501 8.538 5.816 1.00 0.00 C ATOM 137 O HIS A 10 -17.898 9.492 6.307 1.00 0.00 O ATOM 138 CB HIS A 10 -19.177 6.566 7.198 1.00 0.00 C ATOM 139 CG HIS A 10 -19.165 6.592 8.696 1.00 0.00 C ATOM 140 ND1 HIS A 10 -20.128 5.944 9.431 1.00 0.00 N ATOM 141 CD2 HIS A 10 -18.293 7.196 9.540 1.00 0.00 C ATOM 142 CE1 HIS A 10 -19.825 6.164 10.699 1.00 0.00 C ATOM 143 NE2 HIS A 10 -18.721 6.918 10.812 1.00 0.00 N ATOM 0 H HIS A 10 -20.885 6.649 5.391 1.00 0.00 H new ATOM 0 HA HIS A 10 -19.989 8.550 7.351 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -19.822 5.754 6.863 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -18.172 6.343 6.839 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -17.429 7.782 9.264 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -20.393 5.786 11.536 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -18.283 7.226 11.680 1.00 0.00 H new ATOM 151 N SER A 11 -18.204 8.029 4.623 1.00 0.00 N ATOM 152 CA SER A 11 -17.125 8.573 3.806 1.00 0.00 C ATOM 153 C SER A 11 -17.521 8.611 2.333 1.00 0.00 C ATOM 154 O SER A 11 -18.545 8.051 1.941 1.00 0.00 O ATOM 155 CB SER A 11 -15.855 7.738 3.982 1.00 0.00 C ATOM 156 OG SER A 11 -15.961 6.875 5.100 1.00 0.00 O ATOM 0 H SER A 11 -18.696 7.241 4.201 1.00 0.00 H new ATOM 0 HA SER A 11 -16.932 9.593 4.137 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.675 7.151 3.082 1.00 0.00 H new ATOM 0 HB3 SER A 11 -14.997 8.398 4.109 1.00 0.00 H new ATOM 0 HG SER A 11 -15.137 6.352 5.189 1.00 0.00 H new ATOM 162 N SER A 12 -16.702 9.277 1.524 1.00 0.00 N ATOM 163 CA SER A 12 -16.965 9.391 0.093 1.00 0.00 C ATOM 164 C SER A 12 -15.956 8.580 -0.713 1.00 0.00 C ATOM 165 O SER A 12 -16.254 8.121 -1.817 1.00 0.00 O ATOM 166 CB SER A 12 -16.919 10.857 -0.338 1.00 0.00 C ATOM 167 OG SER A 12 -17.303 11.003 -1.694 1.00 0.00 O ATOM 0 H SER A 12 -15.851 9.746 1.835 1.00 0.00 H new ATOM 0 HA SER A 12 -17.961 8.992 -0.101 1.00 0.00 H new ATOM 0 HB2 SER A 12 -17.581 11.446 0.296 1.00 0.00 H new ATOM 0 HB3 SER A 12 -15.912 11.249 -0.198 1.00 0.00 H new ATOM 0 HG SER A 12 -17.267 11.950 -1.944 1.00 0.00 H new ATOM 173 N GLY A 13 -14.761 8.408 -0.157 1.00 0.00 N ATOM 174 CA GLY A 13 -13.725 7.653 -0.839 1.00 0.00 C ATOM 175 C GLY A 13 -13.276 6.440 -0.049 1.00 0.00 C ATOM 176 O GLY A 13 -12.697 6.573 1.028 1.00 0.00 O ATOM 0 H GLY A 13 -14.491 8.778 0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -14.095 7.332 -1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.868 8.301 -1.022 1.00 0.00 H new ATOM 390 N ASP A 27 0.928 3.683 -4.360 1.00 0.00 N ATOM 391 CA ASP A 27 0.984 3.628 -2.905 1.00 0.00 C ATOM 392 C ASP A 27 -0.210 2.852 -2.369 1.00 0.00 C ATOM 393 O ASP A 27 -1.149 3.436 -1.824 1.00 0.00 O ATOM 394 CB ASP A 27 1.009 5.040 -2.313 1.00 0.00 C ATOM 395 CG ASP A 27 1.531 5.065 -0.890 1.00 0.00 C ATOM 396 OD1 ASP A 27 2.410 4.239 -0.564 1.00 0.00 O ATOM 397 OD2 ASP A 27 1.062 5.913 -0.102 1.00 0.00 O ATOM 0 HA ASP A 27 1.901 3.117 -2.610 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.633 5.681 -2.936 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.002 5.457 -2.334 1.00 0.00 H new ATOM 402 N TYR A 28 -0.185 1.536 -2.554 1.00 0.00 N ATOM 403 CA TYR A 28 -1.294 0.693 -2.111 1.00 0.00 C ATOM 404 C TYR A 28 -0.939 -0.050 -0.829 1.00 0.00 C ATOM 405 O TYR A 28 0.224 -0.109 -0.437 1.00 0.00 O ATOM 406 CB TYR A 28 -1.685 -0.300 -3.207 1.00 0.00 C ATOM 407 CG TYR A 28 -2.933 0.094 -3.965 1.00 0.00 C ATOM 408 CD1 TYR A 28 -2.861 0.922 -5.078 1.00 0.00 C ATOM 409 CD2 TYR A 28 -4.184 -0.362 -3.568 1.00 0.00 C ATOM 410 CE1 TYR A 28 -3.998 1.285 -5.773 1.00 0.00 C ATOM 411 CE2 TYR A 28 -5.326 -0.005 -4.259 1.00 0.00 C ATOM 412 CZ TYR A 28 -5.228 0.820 -5.360 1.00 0.00 C ATOM 413 OH TYR A 28 -6.363 1.178 -6.050 1.00 0.00 O ATOM 0 H TYR A 28 0.581 1.033 -3.002 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.146 1.341 -1.905 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.858 -0.396 -3.911 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.837 -1.282 -2.759 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.899 1.288 -5.406 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.265 -1.006 -2.705 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -3.924 1.930 -6.636 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.291 -0.370 -3.939 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.146 0.765 -5.629 1.00 0.00 H new ATOM 423 N ARG A 29 -1.955 -0.597 -0.166 1.00 0.00 N ATOM 424 CA ARG A 29 -1.747 -1.308 1.089 1.00 0.00 C ATOM 425 C ARG A 29 -2.494 -2.638 1.112 1.00 0.00 C ATOM 426 O ARG A 29 -3.614 -2.746 0.612 1.00 0.00 O ATOM 427 CB ARG A 29 -2.197 -0.439 2.264 1.00 0.00 C ATOM 428 CG ARG A 29 -1.484 -0.761 3.568 1.00 0.00 C ATOM 429 CD ARG A 29 -1.333 0.477 4.437 1.00 0.00 C ATOM 430 NE ARG A 29 -0.141 0.416 5.279 1.00 0.00 N ATOM 431 CZ ARG A 29 0.223 1.386 6.111 1.00 0.00 C ATOM 432 NH1 ARG A 29 -0.509 2.487 6.214 1.00 0.00 N ATOM 433 NH2 ARG A 29 1.321 1.256 6.843 1.00 0.00 N ATOM 0 H ARG A 29 -2.926 -0.561 -0.477 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.682 -1.520 1.178 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.027 0.609 2.016 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.271 -0.563 2.406 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.043 -1.523 4.111 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.501 -1.179 3.353 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.282 1.361 3.802 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.216 0.587 5.067 1.00 0.00 H new ATOM 0 HE ARG A 29 0.444 -0.417 5.225 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.355 2.591 5.653 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.226 3.229 6.854 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.887 0.411 6.768 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.600 2.001 7.481 1.00 0.00 H new ATOM 447 N LEU A 30 -1.864 -3.643 1.711 1.00 0.00 N ATOM 448 CA LEU A 30 -2.459 -4.968 1.839 1.00 0.00 C ATOM 449 C LEU A 30 -2.298 -5.473 3.269 1.00 0.00 C ATOM 450 O LEU A 30 -1.307 -6.125 3.596 1.00 0.00 O ATOM 451 CB LEU A 30 -1.804 -5.944 0.851 1.00 0.00 C ATOM 452 CG LEU A 30 -2.494 -7.308 0.691 1.00 0.00 C ATOM 453 CD1 LEU A 30 -1.899 -8.327 1.655 1.00 0.00 C ATOM 454 CD2 LEU A 30 -3.999 -7.190 0.903 1.00 0.00 C ATOM 0 H LEU A 30 -0.933 -3.563 2.119 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.522 -4.902 1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.760 -5.465 -0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.775 -6.115 1.168 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.322 -7.653 -0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.401 -9.286 1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.835 -8.444 1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.035 -7.981 2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.461 -8.170 0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.197 -6.815 1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.417 -6.500 0.170 1.00 0.00 H new ATOM 466 N ASP A 31 -3.276 -5.172 4.118 1.00 0.00 N ATOM 467 CA ASP A 31 -3.206 -5.553 5.524 1.00 0.00 C ATOM 468 C ASP A 31 -4.075 -6.771 5.818 1.00 0.00 C ATOM 469 O ASP A 31 -5.078 -6.674 6.528 1.00 0.00 O ATOM 470 CB ASP A 31 -3.636 -4.382 6.411 1.00 0.00 C ATOM 471 CG ASP A 31 -4.618 -3.459 5.716 1.00 0.00 C ATOM 472 OD1 ASP A 31 -5.818 -3.802 5.661 1.00 0.00 O ATOM 473 OD2 ASP A 31 -4.187 -2.396 5.225 1.00 0.00 O ATOM 0 H ASP A 31 -4.123 -4.667 3.858 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.171 -5.815 5.745 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.089 -4.769 7.324 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.755 -3.813 6.709 1.00 0.00 H new ATOM 478 N MET A 32 -3.700 -7.911 5.247 1.00 0.00 N ATOM 479 CA MET A 32 -4.437 -9.147 5.463 1.00 0.00 C ATOM 480 C MET A 32 -3.489 -10.325 5.710 1.00 0.00 C ATOM 481 O MET A 32 -2.829 -10.402 6.750 1.00 0.00 O ATOM 482 CB MET A 32 -5.349 -9.434 4.266 1.00 0.00 C ATOM 483 CG MET A 32 -6.641 -8.633 4.281 1.00 0.00 C ATOM 484 SD MET A 32 -7.958 -9.422 3.334 1.00 0.00 S ATOM 485 CE MET A 32 -9.296 -8.254 3.573 1.00 0.00 C ATOM 0 H MET A 32 -2.891 -8.003 4.632 1.00 0.00 H new ATOM 0 HA MET A 32 -5.052 -9.023 6.355 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.807 -9.216 3.346 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.590 -10.497 4.250 1.00 0.00 H new ATOM 0 HG2 MET A 32 -6.970 -8.500 5.312 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.453 -7.639 3.876 1.00 0.00 H new ATOM 0 HE1 MET A 32 -10.183 -8.604 3.046 1.00 0.00 H new ATOM 0 HE2 MET A 32 -9.517 -8.167 4.637 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.003 -7.280 3.182 1.00 0.00 H new ATOM 495 N VAL A 33 -3.439 -11.246 4.754 1.00 0.00 N ATOM 496 CA VAL A 33 -2.592 -12.426 4.865 1.00 0.00 C ATOM 497 C VAL A 33 -1.831 -12.678 3.566 1.00 0.00 C ATOM 498 O VAL A 33 -2.219 -12.193 2.504 1.00 0.00 O ATOM 499 CB VAL A 33 -3.426 -13.673 5.224 1.00 0.00 C ATOM 500 CG1 VAL A 33 -4.306 -14.088 4.055 1.00 0.00 C ATOM 501 CG2 VAL A 33 -2.526 -14.820 5.660 1.00 0.00 C ATOM 0 H VAL A 33 -3.978 -11.197 3.890 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.875 -12.238 5.664 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.075 -13.417 6.062 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.885 -14.969 4.331 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.984 -13.273 3.802 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.680 -14.320 3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.137 -15.688 5.908 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.844 -15.076 4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.951 -14.519 6.536 1.00 0.00 H new ATOM 511 N GLY A 34 -0.754 -13.452 3.657 1.00 0.00 N ATOM 512 CA GLY A 34 0.040 -13.766 2.482 1.00 0.00 C ATOM 513 C GLY A 34 -0.640 -14.774 1.573 1.00 0.00 C ATOM 514 O GLY A 34 -0.008 -15.335 0.678 1.00 0.00 O ATOM 0 H GLY A 34 -0.416 -13.868 4.525 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.234 -12.850 1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.007 -14.159 2.795 1.00 0.00 H new ATOM 518 N GLU A 35 -1.929 -15.008 1.805 1.00 0.00 N ATOM 519 CA GLU A 35 -2.694 -15.947 0.997 1.00 0.00 C ATOM 520 C GLU A 35 -3.615 -15.199 0.032 1.00 0.00 C ATOM 521 O GLU A 35 -4.418 -14.367 0.452 1.00 0.00 O ATOM 522 CB GLU A 35 -3.512 -16.875 1.903 1.00 0.00 C ATOM 523 CG GLU A 35 -4.701 -17.522 1.211 1.00 0.00 C ATOM 524 CD GLU A 35 -5.046 -18.878 1.793 1.00 0.00 C ATOM 525 OE1 GLU A 35 -4.451 -19.883 1.351 1.00 0.00 O ATOM 526 OE2 GLU A 35 -5.911 -18.936 2.691 1.00 0.00 O ATOM 0 H GLU A 35 -2.464 -14.558 2.548 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.999 -16.549 0.411 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.859 -17.658 2.289 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.869 -16.306 2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.567 -16.865 1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.483 -17.631 0.149 1.00 0.00 H new ATOM 593 N PRO A 40 -5.889 -8.737 -2.844 1.00 0.00 N ATOM 594 CA PRO A 40 -4.641 -8.229 -2.273 1.00 0.00 C ATOM 595 C PRO A 40 -3.701 -7.638 -3.327 1.00 0.00 C ATOM 596 O PRO A 40 -3.877 -6.497 -3.755 1.00 0.00 O ATOM 597 CB PRO A 40 -4.035 -9.476 -1.634 1.00 0.00 C ATOM 598 CG PRO A 40 -4.499 -10.602 -2.494 1.00 0.00 C ATOM 599 CD PRO A 40 -5.849 -10.202 -3.036 1.00 0.00 C ATOM 0 HA PRO A 40 -4.808 -7.408 -1.576 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.947 -9.419 -1.608 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.372 -9.598 -0.605 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -3.795 -10.786 -3.305 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.570 -11.525 -1.919 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.953 -10.470 -4.087 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.658 -10.698 -2.499 1.00 0.00 H new ATOM 607 N ALA A 41 -2.709 -8.423 -3.748 1.00 0.00 N ATOM 608 CA ALA A 41 -1.728 -7.972 -4.734 1.00 0.00 C ATOM 609 C ALA A 41 -2.375 -7.600 -6.066 1.00 0.00 C ATOM 610 O ALA A 41 -1.682 -7.206 -7.004 1.00 0.00 O ATOM 611 CB ALA A 41 -0.674 -9.045 -4.958 1.00 0.00 C ATOM 0 H ALA A 41 -2.564 -9.378 -3.420 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.260 -7.074 -4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.050 -8.696 -5.694 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.163 -9.255 -4.018 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.152 -9.954 -5.322 1.00 0.00 H new ATOM 617 N VAL A 42 -3.694 -7.739 -6.152 1.00 0.00 N ATOM 618 CA VAL A 42 -4.418 -7.403 -7.373 1.00 0.00 C ATOM 619 C VAL A 42 -4.016 -6.019 -7.878 1.00 0.00 C ATOM 620 O VAL A 42 -3.938 -5.787 -9.085 1.00 0.00 O ATOM 621 CB VAL A 42 -5.943 -7.442 -7.147 1.00 0.00 C ATOM 622 CG1 VAL A 42 -6.687 -6.961 -8.385 1.00 0.00 C ATOM 623 CG2 VAL A 42 -6.387 -8.845 -6.764 1.00 0.00 C ATOM 0 H VAL A 42 -4.282 -8.081 -5.392 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.155 -8.150 -8.122 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.185 -6.767 -6.326 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.761 -6.998 -8.201 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.392 -5.936 -8.611 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.441 -7.604 -9.230 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.466 -8.855 -6.608 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.129 -9.539 -7.564 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.885 -9.147 -5.845 1.00 0.00 H new ATOM 633 N ALA A 43 -3.766 -5.104 -6.946 1.00 0.00 N ATOM 634 CA ALA A 43 -3.354 -3.749 -7.294 1.00 0.00 C ATOM 635 C ALA A 43 -1.913 -3.728 -7.796 1.00 0.00 C ATOM 636 O ALA A 43 -1.561 -2.940 -8.673 1.00 0.00 O ATOM 637 CB ALA A 43 -3.514 -2.824 -6.098 1.00 0.00 C ATOM 0 H ALA A 43 -3.842 -5.277 -5.944 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.997 -3.394 -8.099 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.203 -1.816 -6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.559 -2.809 -5.787 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.896 -3.183 -5.275 1.00 0.00 H new ATOM 643 N THR A 44 -1.084 -4.597 -7.224 1.00 0.00 N ATOM 644 CA THR A 44 0.324 -4.680 -7.596 1.00 0.00 C ATOM 645 C THR A 44 0.487 -5.064 -9.063 1.00 0.00 C ATOM 646 O THR A 44 1.273 -4.455 -9.790 1.00 0.00 O ATOM 647 CB THR A 44 1.042 -5.700 -6.712 1.00 0.00 C ATOM 648 OG1 THR A 44 0.379 -5.832 -5.469 1.00 0.00 O ATOM 649 CG2 THR A 44 2.485 -5.341 -6.433 1.00 0.00 C ATOM 0 H THR A 44 -1.365 -5.256 -6.498 1.00 0.00 H new ATOM 0 HA THR A 44 0.768 -3.695 -7.449 1.00 0.00 H new ATOM 0 HB THR A 44 1.024 -6.636 -7.271 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.752 -5.190 -4.830 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.935 -6.106 -5.801 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.033 -5.279 -7.373 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.529 -4.378 -5.924 1.00 0.00 H new ATOM 657 N LEU A 45 -0.246 -6.088 -9.487 1.00 0.00 N ATOM 658 CA LEU A 45 -0.166 -6.568 -10.862 1.00 0.00 C ATOM 659 C LEU A 45 -0.653 -5.512 -11.848 1.00 0.00 C ATOM 660 O LEU A 45 0.000 -5.250 -12.858 1.00 0.00 O ATOM 661 CB LEU A 45 -0.983 -7.852 -11.024 1.00 0.00 C ATOM 662 CG LEU A 45 -0.341 -9.106 -10.421 1.00 0.00 C ATOM 663 CD1 LEU A 45 -1.240 -10.317 -10.625 1.00 0.00 C ATOM 664 CD2 LEU A 45 1.033 -9.352 -11.028 1.00 0.00 C ATOM 0 H LEU A 45 -0.902 -6.601 -8.899 1.00 0.00 H new ATOM 0 HA LEU A 45 0.881 -6.779 -11.081 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.960 -7.704 -10.563 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.155 -8.025 -12.087 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.217 -8.945 -9.350 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.768 -11.198 -10.190 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.200 -10.143 -10.139 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.397 -10.478 -11.692 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.471 -10.247 -10.586 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.936 -9.490 -12.105 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.678 -8.496 -10.828 1.00 0.00 H new ATOM 676 N GLU A 46 -1.801 -4.910 -11.553 1.00 0.00 N ATOM 677 CA GLU A 46 -2.367 -3.881 -12.420 1.00 0.00 C ATOM 678 C GLU A 46 -1.536 -2.603 -12.358 1.00 0.00 C ATOM 679 O GLU A 46 -1.734 -1.680 -13.150 1.00 0.00 O ATOM 680 CB GLU A 46 -3.815 -3.588 -12.020 1.00 0.00 C ATOM 681 CG GLU A 46 -3.949 -2.835 -10.706 1.00 0.00 C ATOM 682 CD GLU A 46 -4.976 -1.722 -10.773 1.00 0.00 C ATOM 683 OE1 GLU A 46 -4.655 -0.650 -11.327 1.00 0.00 O ATOM 684 OE2 GLU A 46 -6.102 -1.922 -10.273 1.00 0.00 O ATOM 0 H GLU A 46 -2.357 -5.116 -10.723 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.351 -4.252 -13.445 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.290 -3.007 -12.811 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.359 -4.530 -11.945 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.228 -3.534 -9.918 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.981 -2.415 -10.432 1.00 0.00 H new ATOM 691 N ALA A 47 -0.638 -2.540 -11.381 1.00 0.00 N ATOM 692 CA ALA A 47 0.240 -1.388 -11.215 1.00 0.00 C ATOM 693 C ALA A 47 1.336 -1.376 -12.274 1.00 0.00 C ATOM 694 O ALA A 47 1.710 -0.320 -12.781 1.00 0.00 O ATOM 695 CB ALA A 47 0.848 -1.383 -9.820 1.00 0.00 C ATOM 0 H ALA A 47 -0.499 -3.277 -10.689 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.358 -0.486 -11.340 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.501 -0.517 -9.711 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.052 -1.333 -9.077 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.427 -2.295 -9.672 1.00 0.00 H new ATOM 701 N MET A 48 1.862 -2.559 -12.585 1.00 0.00 N ATOM 702 CA MET A 48 2.941 -2.693 -13.558 1.00 0.00 C ATOM 703 C MET A 48 2.598 -2.007 -14.888 1.00 0.00 C ATOM 704 O MET A 48 3.414 -1.253 -15.417 1.00 0.00 O ATOM 705 CB MET A 48 3.300 -4.177 -13.757 1.00 0.00 C ATOM 706 CG MET A 48 3.117 -4.695 -15.175 1.00 0.00 C ATOM 707 SD MET A 48 4.467 -4.223 -16.273 1.00 0.00 S ATOM 708 CE MET A 48 5.030 -5.831 -16.828 1.00 0.00 C ATOM 0 H MET A 48 1.556 -3.441 -12.175 1.00 0.00 H new ATOM 0 HA MET A 48 3.819 -2.182 -13.163 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.338 -4.327 -13.462 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.687 -4.777 -13.084 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.037 -5.782 -15.152 1.00 0.00 H new ATOM 0 HG3 MET A 48 2.178 -4.315 -15.577 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.642 -5.713 -17.722 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.622 -6.300 -16.042 1.00 0.00 H new ATOM 0 HE3 MET A 48 4.169 -6.459 -17.058 1.00 0.00 H new ATOM 718 N PRO A 49 1.386 -2.222 -15.447 1.00 0.00 N ATOM 719 CA PRO A 49 0.984 -1.574 -16.698 1.00 0.00 C ATOM 720 C PRO A 49 0.814 -0.070 -16.516 1.00 0.00 C ATOM 721 O PRO A 49 1.485 0.727 -17.170 1.00 0.00 O ATOM 722 CB PRO A 49 -0.362 -2.228 -17.046 1.00 0.00 C ATOM 723 CG PRO A 49 -0.469 -3.419 -16.154 1.00 0.00 C ATOM 724 CD PRO A 49 0.318 -3.083 -14.922 1.00 0.00 C ATOM 0 HA PRO A 49 1.732 -1.698 -17.481 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.189 -1.537 -16.879 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.397 -2.519 -18.096 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.510 -3.630 -15.907 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.070 -4.309 -16.641 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.291 -2.566 -14.181 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.717 -3.976 -14.440 1.00 0.00 H new ATOM 732 N GLN A 50 -0.091 0.306 -15.615 1.00 0.00 N ATOM 733 CA GLN A 50 -0.349 1.713 -15.321 1.00 0.00 C ATOM 734 C GLN A 50 0.784 2.332 -14.502 1.00 0.00 C ATOM 735 O GLN A 50 0.593 3.356 -13.845 1.00 0.00 O ATOM 736 CB GLN A 50 -1.675 1.859 -14.568 1.00 0.00 C ATOM 737 CG GLN A 50 -2.721 0.833 -14.971 1.00 0.00 C ATOM 738 CD GLN A 50 -4.122 1.222 -14.538 1.00 0.00 C ATOM 739 OE1 GLN A 50 -4.305 1.921 -13.541 1.00 0.00 O ATOM 740 NE2 GLN A 50 -5.120 0.767 -15.287 1.00 0.00 N ATOM 0 H GLN A 50 -0.659 -0.346 -15.075 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.409 2.245 -16.270 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.487 1.772 -13.498 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.073 2.859 -14.741 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.702 0.707 -16.054 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -2.465 -0.132 -14.533 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.922 0.191 -16.105 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.084 0.994 -15.044 1.00 0.00 H new ATOM 749 N LEU A 51 1.961 1.704 -14.538 1.00 0.00 N ATOM 750 CA LEU A 51 3.115 2.184 -13.786 1.00 0.00 C ATOM 751 C LEU A 51 3.333 3.681 -13.986 1.00 0.00 C ATOM 752 O LEU A 51 2.953 4.246 -15.012 1.00 0.00 O ATOM 753 CB LEU A 51 4.368 1.407 -14.205 1.00 0.00 C ATOM 754 CG LEU A 51 5.160 2.013 -15.366 1.00 0.00 C ATOM 755 CD1 LEU A 51 6.585 2.324 -14.933 1.00 0.00 C ATOM 756 CD2 LEU A 51 5.158 1.073 -16.562 1.00 0.00 C ATOM 0 H LEU A 51 2.137 0.860 -15.083 1.00 0.00 H new ATOM 0 HA LEU A 51 2.920 2.017 -12.727 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.028 1.323 -13.342 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.072 0.394 -14.479 1.00 0.00 H new ATOM 0 HG LEU A 51 4.679 2.945 -15.662 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.134 2.754 -15.771 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.567 3.035 -14.107 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.076 1.406 -14.611 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.726 1.521 -17.378 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.615 0.124 -16.280 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.132 0.899 -16.887 1.00 0.00 H new ATOM 768 N LYS A 52 3.947 4.316 -12.993 1.00 0.00 N ATOM 769 CA LYS A 52 4.218 5.748 -13.048 1.00 0.00 C ATOM 770 C LYS A 52 5.719 6.019 -12.994 1.00 0.00 C ATOM 771 O LYS A 52 6.527 5.134 -13.273 1.00 0.00 O ATOM 772 CB LYS A 52 3.513 6.461 -11.891 1.00 0.00 C ATOM 773 CG LYS A 52 1.996 6.421 -11.987 1.00 0.00 C ATOM 774 CD LYS A 52 1.365 7.659 -11.373 1.00 0.00 C ATOM 775 CE LYS A 52 0.999 8.683 -12.436 1.00 0.00 C ATOM 776 NZ LYS A 52 1.967 9.813 -12.475 1.00 0.00 N ATOM 0 H LYS A 52 4.267 3.860 -12.138 1.00 0.00 H new ATOM 0 HA LYS A 52 3.834 6.134 -13.992 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.822 6.004 -10.951 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.840 7.500 -11.862 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.699 6.341 -13.033 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.622 5.531 -11.480 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.472 7.375 -10.816 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.057 8.106 -10.659 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.968 8.198 -13.412 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.001 9.069 -12.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.682 10.489 -13.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.979 10.292 -11.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.918 9.449 -12.688 1.00 0.00 H new ATOM 790 N LYS A 53 6.084 7.247 -12.635 1.00 0.00 N ATOM 791 CA LYS A 53 7.490 7.629 -12.547 1.00 0.00 C ATOM 792 C LYS A 53 7.964 7.630 -11.096 1.00 0.00 C ATOM 793 O LYS A 53 8.506 8.623 -10.610 1.00 0.00 O ATOM 794 CB LYS A 53 7.703 9.013 -13.166 1.00 0.00 C ATOM 795 CG LYS A 53 6.837 9.279 -14.387 1.00 0.00 C ATOM 796 CD LYS A 53 7.678 9.649 -15.599 1.00 0.00 C ATOM 797 CE LYS A 53 7.378 8.746 -16.784 1.00 0.00 C ATOM 798 NZ LYS A 53 7.919 7.373 -16.589 1.00 0.00 N ATOM 0 H LYS A 53 5.428 7.992 -12.401 1.00 0.00 H new ATOM 0 HA LYS A 53 8.076 6.896 -13.101 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.496 9.773 -12.413 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.751 9.118 -13.446 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.243 8.394 -14.612 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.137 10.086 -14.169 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.486 10.686 -15.873 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.735 9.577 -15.345 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.300 8.693 -16.936 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.806 9.180 -17.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.693 6.790 -17.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.951 7.420 -16.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.492 6.949 -15.741 1.00 0.00 H new ATOM 812 N GLY A 54 7.757 6.510 -10.409 1.00 0.00 N ATOM 813 CA GLY A 54 8.171 6.406 -9.022 1.00 0.00 C ATOM 814 C GLY A 54 7.055 5.927 -8.114 1.00 0.00 C ATOM 815 O GLY A 54 6.759 6.557 -7.099 1.00 0.00 O ATOM 0 H GLY A 54 7.311 5.675 -10.788 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.014 5.719 -8.949 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.522 7.379 -8.678 1.00 0.00 H new ATOM 819 N GLU A 55 6.437 4.807 -8.478 1.00 0.00 N ATOM 820 CA GLU A 55 5.347 4.245 -7.689 1.00 0.00 C ATOM 821 C GLU A 55 5.854 3.718 -6.351 1.00 0.00 C ATOM 822 O GLU A 55 7.051 3.761 -6.070 1.00 0.00 O ATOM 823 CB GLU A 55 4.644 3.130 -8.469 1.00 0.00 C ATOM 824 CG GLU A 55 5.235 1.746 -8.251 1.00 0.00 C ATOM 825 CD GLU A 55 4.255 0.797 -7.589 1.00 0.00 C ATOM 826 OE1 GLU A 55 3.376 0.264 -8.296 1.00 0.00 O ATOM 827 OE2 GLU A 55 4.361 0.595 -6.361 1.00 0.00 O ATOM 0 H GLU A 55 6.673 4.272 -9.314 1.00 0.00 H new ATOM 0 HA GLU A 55 4.629 5.041 -7.489 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.592 3.112 -8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.683 3.366 -9.532 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.546 1.332 -9.210 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.130 1.829 -7.634 1.00 0.00 H new ATOM 834 N ILE A 56 4.927 3.229 -5.531 1.00 0.00 N ATOM 835 CA ILE A 56 5.258 2.694 -4.216 1.00 0.00 C ATOM 836 C ILE A 56 4.146 1.764 -3.723 1.00 0.00 C ATOM 837 O ILE A 56 2.975 1.933 -4.068 1.00 0.00 O ATOM 838 CB ILE A 56 5.484 3.829 -3.185 1.00 0.00 C ATOM 839 CG1 ILE A 56 6.919 4.356 -3.273 1.00 0.00 C ATOM 840 CG2 ILE A 56 5.195 3.353 -1.768 1.00 0.00 C ATOM 841 CD1 ILE A 56 7.003 5.832 -3.590 1.00 0.00 C ATOM 0 H ILE A 56 3.933 3.193 -5.758 1.00 0.00 H new ATOM 0 HA ILE A 56 6.185 2.129 -4.314 1.00 0.00 H new ATOM 0 HB ILE A 56 4.791 4.636 -3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.425 4.167 -2.327 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.456 3.797 -4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.363 4.171 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.158 3.023 -1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.857 2.523 -1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 56 8.049 6.135 -3.637 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.526 6.026 -4.551 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.495 6.401 -2.811 1.00 0.00 H new ATOM 853 N LEU A 57 4.520 0.771 -2.928 1.00 0.00 N ATOM 854 CA LEU A 57 3.549 -0.161 -2.380 1.00 0.00 C ATOM 855 C LEU A 57 3.793 -0.398 -0.919 1.00 0.00 C ATOM 856 O LEU A 57 4.882 -0.147 -0.405 1.00 0.00 O ATOM 857 CB LEU A 57 3.616 -1.500 -3.094 1.00 0.00 C ATOM 858 CG LEU A 57 2.424 -2.428 -2.857 1.00 0.00 C ATOM 859 CD1 LEU A 57 1.193 -1.909 -3.581 1.00 0.00 C ATOM 860 CD2 LEU A 57 2.753 -3.844 -3.306 1.00 0.00 C ATOM 0 H LEU A 57 5.485 0.592 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 57 2.565 0.287 -2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.706 -1.318 -4.165 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.524 -2.015 -2.781 1.00 0.00 H new ATOM 0 HG LEU A 57 2.210 -2.448 -1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.354 -2.582 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.946 -0.914 -3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.395 -1.858 -4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.893 -4.491 -3.130 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.994 -3.842 -4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.608 -4.215 -2.741 1.00 0.00 H new ATOM 872 N GLU A 58 2.782 -0.927 -0.260 1.00 0.00 N ATOM 873 CA GLU A 58 2.911 -1.268 1.127 1.00 0.00 C ATOM 874 C GLU A 58 2.059 -2.489 1.458 1.00 0.00 C ATOM 875 O GLU A 58 0.928 -2.607 0.992 1.00 0.00 O ATOM 876 CB GLU A 58 2.518 -0.084 2.020 1.00 0.00 C ATOM 877 CG GLU A 58 2.457 1.257 1.294 1.00 0.00 C ATOM 878 CD GLU A 58 1.425 2.197 1.888 1.00 0.00 C ATOM 879 OE1 GLU A 58 1.406 2.351 3.127 1.00 0.00 O ATOM 880 OE2 GLU A 58 0.639 2.780 1.113 1.00 0.00 O ATOM 0 H GLU A 58 1.869 -1.126 -0.668 1.00 0.00 H new ATOM 0 HA GLU A 58 3.956 -1.509 1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.544 -0.287 2.465 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.233 -0.008 2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.438 1.731 1.331 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.225 1.086 0.243 1.00 0.00 H new ATOM 887 N VAL A 59 2.620 -3.417 2.228 1.00 0.00 N ATOM 888 CA VAL A 59 1.902 -4.635 2.588 1.00 0.00 C ATOM 889 C VAL A 59 2.180 -5.050 4.029 1.00 0.00 C ATOM 890 O VAL A 59 3.316 -5.001 4.495 1.00 0.00 O ATOM 891 CB VAL A 59 2.270 -5.808 1.660 1.00 0.00 C ATOM 892 CG1 VAL A 59 1.421 -7.027 1.992 1.00 0.00 C ATOM 893 CG2 VAL A 59 2.104 -5.416 0.199 1.00 0.00 C ATOM 0 H VAL A 59 3.563 -3.350 2.612 1.00 0.00 H new ATOM 0 HA VAL A 59 0.842 -4.404 2.477 1.00 0.00 H new ATOM 0 HB VAL A 59 3.318 -6.061 1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.690 -7.849 1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.597 -7.322 3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.367 -6.784 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.370 -6.261 -0.437 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.068 -5.134 0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.756 -4.572 -0.028 1.00 0.00 H new ATOM 903 N VAL A 60 1.129 -5.483 4.714 1.00 0.00 N ATOM 904 CA VAL A 60 1.234 -5.964 6.087 1.00 0.00 C ATOM 905 C VAL A 60 0.330 -7.179 6.279 1.00 0.00 C ATOM 906 O VAL A 60 -0.894 -7.060 6.276 1.00 0.00 O ATOM 907 CB VAL A 60 0.845 -4.873 7.106 1.00 0.00 C ATOM 908 CG1 VAL A 60 0.924 -5.412 8.526 1.00 0.00 C ATOM 909 CG2 VAL A 60 1.732 -3.648 6.945 1.00 0.00 C ATOM 0 H VAL A 60 0.182 -5.511 4.335 1.00 0.00 H new ATOM 0 HA VAL A 60 2.274 -6.238 6.263 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.185 -4.575 6.912 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.646 -4.627 9.229 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.241 -6.254 8.634 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.942 -5.741 8.734 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.442 -2.890 7.673 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.773 -3.928 7.109 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.618 -3.246 5.938 1.00 0.00 H new ATOM 919 N SER A 61 0.930 -8.354 6.400 1.00 0.00 N ATOM 920 CA SER A 61 0.155 -9.578 6.542 1.00 0.00 C ATOM 921 C SER A 61 0.857 -10.591 7.435 1.00 0.00 C ATOM 922 O SER A 61 1.940 -10.332 7.958 1.00 0.00 O ATOM 923 CB SER A 61 -0.101 -10.191 5.164 1.00 0.00 C ATOM 924 OG SER A 61 0.387 -9.351 4.133 1.00 0.00 O ATOM 0 H SER A 61 1.941 -8.486 6.403 1.00 0.00 H new ATOM 0 HA SER A 61 -0.793 -9.319 7.014 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.381 -11.166 5.101 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.170 -10.355 5.028 1.00 0.00 H new ATOM 0 HG SER A 61 0.212 -9.766 3.263 1.00 0.00 H new ATOM 930 N ASP A 62 0.236 -11.758 7.578 1.00 0.00 N ATOM 931 CA ASP A 62 0.793 -12.825 8.401 1.00 0.00 C ATOM 932 C ASP A 62 1.091 -14.060 7.557 1.00 0.00 C ATOM 933 O ASP A 62 0.199 -14.621 6.920 1.00 0.00 O ATOM 934 CB ASP A 62 -0.175 -13.188 9.526 1.00 0.00 C ATOM 935 CG ASP A 62 0.464 -13.091 10.897 1.00 0.00 C ATOM 936 OD1 ASP A 62 0.414 -11.999 11.500 1.00 0.00 O ATOM 937 OD2 ASP A 62 1.010 -14.111 11.370 1.00 0.00 O ATOM 0 H ASP A 62 -0.653 -11.988 7.134 1.00 0.00 H new ATOM 0 HA ASP A 62 1.726 -12.466 8.835 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.040 -12.526 9.484 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.543 -14.202 9.371 1.00 0.00 H new ATOM 942 N CYS A 63 2.355 -14.473 7.549 1.00 0.00 N ATOM 943 CA CYS A 63 2.776 -15.639 6.781 1.00 0.00 C ATOM 944 C CYS A 63 3.982 -16.314 7.432 1.00 0.00 C ATOM 945 O CYS A 63 5.093 -15.784 7.394 1.00 0.00 O ATOM 946 CB CYS A 63 3.120 -15.232 5.347 1.00 0.00 C ATOM 947 SG CYS A 63 2.709 -16.480 4.105 1.00 0.00 S ATOM 0 H CYS A 63 3.106 -14.016 8.067 1.00 0.00 H new ATOM 0 HA CYS A 63 1.950 -16.349 6.763 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.593 -14.309 5.107 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.186 -15.015 5.289 1.00 0.00 H new ATOM 0 HG CYS A 63 3.035 -16.042 2.925 1.00 0.00 H new ATOM 953 N PRO A 64 3.782 -17.499 8.039 1.00 0.00 N ATOM 954 CA PRO A 64 4.863 -18.240 8.701 1.00 0.00 C ATOM 955 C PRO A 64 6.006 -18.572 7.746 1.00 0.00 C ATOM 956 O PRO A 64 7.149 -18.743 8.168 1.00 0.00 O ATOM 957 CB PRO A 64 4.182 -19.525 9.185 1.00 0.00 C ATOM 958 CG PRO A 64 2.731 -19.194 9.241 1.00 0.00 C ATOM 959 CD PRO A 64 2.492 -18.205 8.137 1.00 0.00 C ATOM 0 HA PRO A 64 5.318 -17.659 9.503 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.372 -20.354 8.503 1.00 0.00 H new ATOM 0 HB3 PRO A 64 4.556 -19.826 10.164 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.121 -20.087 9.104 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.464 -18.771 10.209 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.231 -18.700 7.202 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.676 -17.523 8.376 1.00 0.00 H new ATOM 967 N GLN A 65 5.687 -18.664 6.459 1.00 0.00 N ATOM 968 CA GLN A 65 6.686 -18.980 5.443 1.00 0.00 C ATOM 969 C GLN A 65 7.611 -17.793 5.198 1.00 0.00 C ATOM 970 O GLN A 65 7.532 -16.777 5.890 1.00 0.00 O ATOM 971 CB GLN A 65 6.002 -19.383 4.135 1.00 0.00 C ATOM 972 CG GLN A 65 4.980 -20.496 4.299 1.00 0.00 C ATOM 973 CD GLN A 65 3.736 -20.273 3.463 1.00 0.00 C ATOM 974 OE1 GLN A 65 3.769 -20.388 2.238 1.00 0.00 O ATOM 975 NE2 GLN A 65 2.629 -19.951 4.121 1.00 0.00 N ATOM 0 H GLN A 65 4.745 -18.524 6.094 1.00 0.00 H new ATOM 0 HA GLN A 65 7.285 -19.815 5.807 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.509 -18.509 3.708 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.762 -19.701 3.421 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.435 -21.446 4.020 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.698 -20.574 5.349 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.646 -19.866 5.137 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.761 -19.788 3.610 1.00 0.00 H new ATOM 984 N SER A 66 8.489 -17.929 4.208 1.00 0.00 N ATOM 985 CA SER A 66 9.431 -16.868 3.870 1.00 0.00 C ATOM 986 C SER A 66 9.026 -16.173 2.574 1.00 0.00 C ATOM 987 O SER A 66 9.333 -14.998 2.366 1.00 0.00 O ATOM 988 CB SER A 66 10.844 -17.436 3.735 1.00 0.00 C ATOM 989 OG SER A 66 11.136 -18.335 4.791 1.00 0.00 O ATOM 0 H SER A 66 8.567 -18.763 3.626 1.00 0.00 H new ATOM 0 HA SER A 66 9.416 -16.134 4.676 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.943 -17.949 2.779 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.568 -16.621 3.736 1.00 0.00 H new ATOM 0 HG SER A 66 12.045 -18.685 4.680 1.00 0.00 H new ATOM 995 N ILE A 67 8.337 -16.905 1.704 1.00 0.00 N ATOM 996 CA ILE A 67 7.892 -16.359 0.427 1.00 0.00 C ATOM 997 C ILE A 67 6.823 -15.291 0.633 1.00 0.00 C ATOM 998 O ILE A 67 5.882 -15.481 1.405 1.00 0.00 O ATOM 999 CB ILE A 67 7.335 -17.459 -0.497 1.00 0.00 C ATOM 1000 CG1 ILE A 67 8.199 -18.719 -0.408 1.00 0.00 C ATOM 1001 CG2 ILE A 67 7.268 -16.959 -1.933 1.00 0.00 C ATOM 1002 CD1 ILE A 67 7.399 -19.985 -0.192 1.00 0.00 C ATOM 0 H ILE A 67 8.075 -17.878 1.860 1.00 0.00 H new ATOM 0 HA ILE A 67 8.766 -15.911 -0.047 1.00 0.00 H new ATOM 0 HB ILE A 67 6.326 -17.710 -0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.780 -18.817 -1.325 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.911 -18.605 0.409 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.873 -17.747 -2.574 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.616 -16.087 -1.985 1.00 0.00 H new ATOM 0 HG23 ILE A 67 8.268 -16.684 -2.270 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.075 -20.838 -0.139 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.839 -19.907 0.740 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.705 -20.123 -1.021 1.00 0.00 H new ATOM 1014 N ASN A 68 6.978 -14.167 -0.059 1.00 0.00 N ATOM 1015 CA ASN A 68 6.027 -13.066 0.049 1.00 0.00 C ATOM 1016 C ASN A 68 4.982 -13.138 -1.061 1.00 0.00 C ATOM 1017 O ASN A 68 5.308 -13.403 -2.217 1.00 0.00 O ATOM 1018 CB ASN A 68 6.760 -11.724 -0.007 1.00 0.00 C ATOM 1019 CG ASN A 68 8.192 -11.861 -0.483 1.00 0.00 C ATOM 1020 OD1 ASN A 68 8.454 -11.976 -1.681 1.00 0.00 O ATOM 1021 ND2 ASN A 68 9.131 -11.851 0.456 1.00 0.00 N ATOM 0 H ASN A 68 7.752 -13.994 -0.700 1.00 0.00 H new ATOM 0 HA ASN A 68 5.516 -13.152 1.008 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.223 -11.048 -0.673 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.752 -11.269 0.983 1.00 0.00 H new ATOM 0 HD21 ASN A 68 10.113 -11.941 0.196 1.00 0.00 H new ATOM 0 HD22 ASN A 68 8.870 -11.754 1.437 1.00 0.00 H new ATOM 1028 N ASN A 69 3.723 -12.920 -0.694 1.00 0.00 N ATOM 1029 CA ASN A 69 2.618 -12.991 -1.645 1.00 0.00 C ATOM 1030 C ASN A 69 2.605 -11.799 -2.600 1.00 0.00 C ATOM 1031 O ASN A 69 2.952 -11.932 -3.775 1.00 0.00 O ATOM 1032 CB ASN A 69 1.286 -13.064 -0.896 1.00 0.00 C ATOM 1033 CG ASN A 69 0.153 -13.550 -1.776 1.00 0.00 C ATOM 1034 OD1 ASN A 69 0.205 -14.650 -2.327 1.00 0.00 O ATOM 1035 ND2 ASN A 69 -0.883 -12.729 -1.913 1.00 0.00 N ATOM 0 H ASN A 69 3.441 -12.692 0.259 1.00 0.00 H new ATOM 0 HA ASN A 69 2.759 -13.893 -2.241 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.390 -13.732 -0.041 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.039 -12.078 -0.503 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.677 -13.002 -2.493 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.885 -11.826 -1.438 1.00 0.00 H new ATOM 1042 N ILE A 70 2.164 -10.647 -2.097 1.00 0.00 N ATOM 1043 CA ILE A 70 2.051 -9.436 -2.914 1.00 0.00 C ATOM 1044 C ILE A 70 3.304 -9.191 -3.763 1.00 0.00 C ATOM 1045 O ILE A 70 3.202 -9.014 -4.978 1.00 0.00 O ATOM 1046 CB ILE A 70 1.756 -8.187 -2.051 1.00 0.00 C ATOM 1047 CG1 ILE A 70 0.706 -8.502 -0.975 1.00 0.00 C ATOM 1048 CG2 ILE A 70 1.287 -7.034 -2.926 1.00 0.00 C ATOM 1049 CD1 ILE A 70 -0.546 -9.162 -1.514 1.00 0.00 C ATOM 0 H ILE A 70 1.878 -10.525 -1.126 1.00 0.00 H new ATOM 0 HA ILE A 70 1.210 -9.604 -3.586 1.00 0.00 H new ATOM 0 HB ILE A 70 2.680 -7.893 -1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.154 -9.153 -0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.429 -7.577 -0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.084 -6.163 -2.302 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.063 -6.788 -3.651 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.377 -7.323 -3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.239 -9.353 -0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.019 -8.504 -2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.283 -10.105 -1.993 1.00 0.00 H new ATOM 1061 N PRO A 71 4.508 -9.186 -3.154 1.00 0.00 N ATOM 1062 CA PRO A 71 5.757 -8.950 -3.889 1.00 0.00 C ATOM 1063 C PRO A 71 5.986 -9.971 -5.000 1.00 0.00 C ATOM 1064 O PRO A 71 6.566 -9.648 -6.034 1.00 0.00 O ATOM 1065 CB PRO A 71 6.843 -9.078 -2.817 1.00 0.00 C ATOM 1066 CG PRO A 71 6.136 -8.817 -1.536 1.00 0.00 C ATOM 1067 CD PRO A 71 4.756 -9.377 -1.714 1.00 0.00 C ATOM 0 HA PRO A 71 5.748 -7.982 -4.390 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.294 -10.070 -2.826 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.647 -8.361 -2.980 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.648 -9.295 -0.701 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.101 -7.749 -1.319 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.707 -10.429 -1.431 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.023 -8.848 -1.104 1.00 0.00 H new ATOM 1075 N LEU A 72 5.537 -11.202 -4.776 1.00 0.00 N ATOM 1076 CA LEU A 72 5.698 -12.263 -5.766 1.00 0.00 C ATOM 1077 C LEU A 72 4.975 -11.910 -7.059 1.00 0.00 C ATOM 1078 O LEU A 72 5.376 -12.331 -8.144 1.00 0.00 O ATOM 1079 CB LEU A 72 5.167 -13.590 -5.219 1.00 0.00 C ATOM 1080 CG LEU A 72 5.563 -14.828 -6.027 1.00 0.00 C ATOM 1081 CD1 LEU A 72 6.803 -15.477 -5.432 1.00 0.00 C ATOM 1082 CD2 LEU A 72 4.410 -15.820 -6.081 1.00 0.00 C ATOM 0 H LEU A 72 5.060 -11.490 -3.921 1.00 0.00 H new ATOM 0 HA LEU A 72 6.762 -12.367 -5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.524 -13.713 -4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.079 -13.537 -5.173 1.00 0.00 H new ATOM 0 HG LEU A 72 5.795 -14.517 -7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.071 -16.356 -6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.629 -14.766 -5.447 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.600 -15.776 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.709 -16.694 -6.659 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.147 -16.127 -5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.547 -15.350 -6.553 1.00 0.00 H new ATOM 1094 N ASP A 73 3.904 -11.132 -6.936 1.00 0.00 N ATOM 1095 CA ASP A 73 3.121 -10.718 -8.093 1.00 0.00 C ATOM 1096 C ASP A 73 3.898 -9.719 -8.946 1.00 0.00 C ATOM 1097 O ASP A 73 4.052 -9.908 -10.153 1.00 0.00 O ATOM 1098 CB ASP A 73 1.796 -10.100 -7.643 1.00 0.00 C ATOM 1099 CG ASP A 73 0.725 -11.145 -7.398 1.00 0.00 C ATOM 1100 OD1 ASP A 73 1.079 -12.284 -7.031 1.00 0.00 O ATOM 1101 OD2 ASP A 73 -0.469 -10.823 -7.577 1.00 0.00 O ATOM 0 H ASP A 73 3.559 -10.776 -6.045 1.00 0.00 H new ATOM 0 HA ASP A 73 2.915 -11.602 -8.697 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.957 -9.527 -6.730 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.449 -9.399 -8.402 1.00 0.00 H new ATOM 1106 N ALA A 74 4.390 -8.661 -8.310 1.00 0.00 N ATOM 1107 CA ALA A 74 5.155 -7.637 -9.012 1.00 0.00 C ATOM 1108 C ALA A 74 6.508 -8.176 -9.461 1.00 0.00 C ATOM 1109 O ALA A 74 7.074 -7.716 -10.452 1.00 0.00 O ATOM 1110 CB ALA A 74 5.335 -6.413 -8.127 1.00 0.00 C ATOM 0 H ALA A 74 4.273 -8.490 -7.311 1.00 0.00 H new ATOM 0 HA ALA A 74 4.597 -7.346 -9.902 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.908 -5.657 -8.664 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.358 -6.008 -7.863 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.868 -6.696 -7.219 1.00 0.00 H new ATOM 1116 N ARG A 75 7.019 -9.157 -8.724 1.00 0.00 N ATOM 1117 CA ARG A 75 8.298 -9.775 -9.048 1.00 0.00 C ATOM 1118 C ARG A 75 8.173 -10.656 -10.288 1.00 0.00 C ATOM 1119 O ARG A 75 9.096 -10.735 -11.100 1.00 0.00 O ATOM 1120 CB ARG A 75 8.796 -10.609 -7.865 1.00 0.00 C ATOM 1121 CG ARG A 75 10.114 -11.318 -8.130 1.00 0.00 C ATOM 1122 CD ARG A 75 10.822 -11.681 -6.835 1.00 0.00 C ATOM 1123 NE ARG A 75 11.828 -12.720 -7.035 1.00 0.00 N ATOM 1124 CZ ARG A 75 11.648 -13.996 -6.707 1.00 0.00 C ATOM 1125 NH1 ARG A 75 10.506 -14.392 -6.163 1.00 0.00 N ATOM 1126 NH2 ARG A 75 12.615 -14.878 -6.923 1.00 0.00 N ATOM 0 H ARG A 75 6.564 -9.541 -7.896 1.00 0.00 H new ATOM 0 HA ARG A 75 9.018 -8.983 -9.255 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.911 -9.960 -6.997 1.00 0.00 H new ATOM 0 HB3 ARG A 75 8.039 -11.351 -7.611 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.932 -12.222 -8.712 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.759 -10.677 -8.731 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.297 -10.792 -6.420 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.089 -12.022 -6.104 1.00 0.00 H new ATOM 0 HE ARG A 75 12.720 -12.452 -7.450 1.00 0.00 H new ATOM 0 HH11 ARG A 75 9.760 -13.717 -5.994 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.373 -15.372 -5.913 1.00 0.00 H new ATOM 0 HH21 ARG A 75 13.496 -14.577 -7.340 1.00 0.00 H new ATOM 0 HH22 ARG A 75 12.478 -15.857 -6.672 1.00 0.00 H new ATOM 1140 N ASN A 76 7.027 -11.316 -10.424 1.00 0.00 N ATOM 1141 CA ASN A 76 6.776 -12.192 -11.563 1.00 0.00 C ATOM 1142 C ASN A 76 6.753 -11.397 -12.864 1.00 0.00 C ATOM 1143 O ASN A 76 7.546 -11.648 -13.771 1.00 0.00 O ATOM 1144 CB ASN A 76 5.451 -12.934 -11.381 1.00 0.00 C ATOM 1145 CG ASN A 76 5.214 -13.970 -12.462 1.00 0.00 C ATOM 1146 OD1 ASN A 76 5.882 -15.002 -12.507 1.00 0.00 O ATOM 1147 ND2 ASN A 76 4.256 -13.698 -13.342 1.00 0.00 N ATOM 0 H ASN A 76 6.256 -11.260 -9.758 1.00 0.00 H new ATOM 0 HA ASN A 76 7.586 -12.919 -11.616 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.442 -13.422 -10.406 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.632 -12.215 -11.385 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.050 -14.358 -14.092 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.726 -12.830 -13.267 1.00 0.00 H new ATOM 1154 N HIS A 77 5.839 -10.434 -12.948 1.00 0.00 N ATOM 1155 CA HIS A 77 5.722 -9.595 -14.135 1.00 0.00 C ATOM 1156 C HIS A 77 6.978 -8.752 -14.323 1.00 0.00 C ATOM 1157 O HIS A 77 7.477 -8.603 -15.438 1.00 0.00 O ATOM 1158 CB HIS A 77 4.496 -8.688 -14.027 1.00 0.00 C ATOM 1159 CG HIS A 77 3.316 -9.177 -14.809 1.00 0.00 C ATOM 1160 ND1 HIS A 77 3.473 -9.815 -16.017 1.00 0.00 N ATOM 1161 CD2 HIS A 77 1.995 -9.095 -14.518 1.00 0.00 C ATOM 1162 CE1 HIS A 77 2.253 -10.108 -16.432 1.00 0.00 C ATOM 1163 NE2 HIS A 77 1.327 -9.690 -15.556 1.00 0.00 N ATOM 0 H HIS A 77 5.170 -10.216 -12.209 1.00 0.00 H new ATOM 0 HA HIS A 77 5.605 -10.245 -15.002 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.213 -8.597 -12.978 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.762 -7.689 -14.373 1.00 0.00 H new ATOM 0 HD2 HIS A 77 1.555 -8.648 -13.639 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.030 -10.618 -17.357 1.00 0.00 H new ATOM 0 HE2 HIS A 77 0.316 -9.795 -15.646 1.00 0.00 H new ATOM 1171 N GLY A 78 7.486 -8.209 -13.221 1.00 0.00 N ATOM 1172 CA GLY A 78 8.687 -7.399 -13.276 1.00 0.00 C ATOM 1173 C GLY A 78 8.397 -5.914 -13.200 1.00 0.00 C ATOM 1174 O GLY A 78 7.989 -5.302 -14.189 1.00 0.00 O ATOM 0 H GLY A 78 7.085 -8.317 -12.289 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.346 -7.678 -12.454 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.222 -7.613 -14.201 1.00 0.00 H new ATOM 1178 N TYR A 79 8.619 -5.327 -12.027 1.00 0.00 N ATOM 1179 CA TYR A 79 8.401 -3.898 -11.834 1.00 0.00 C ATOM 1180 C TYR A 79 9.735 -3.155 -11.770 1.00 0.00 C ATOM 1181 O TYR A 79 10.398 -2.975 -12.792 1.00 0.00 O ATOM 1182 CB TYR A 79 7.578 -3.644 -10.563 1.00 0.00 C ATOM 1183 CG TYR A 79 6.567 -2.529 -10.710 1.00 0.00 C ATOM 1184 CD1 TYR A 79 6.945 -1.276 -11.178 1.00 0.00 C ATOM 1185 CD2 TYR A 79 5.232 -2.730 -10.379 1.00 0.00 C ATOM 1186 CE1 TYR A 79 6.023 -0.258 -11.314 1.00 0.00 C ATOM 1187 CE2 TYR A 79 4.305 -1.714 -10.511 1.00 0.00 C ATOM 1188 CZ TYR A 79 4.704 -0.481 -10.980 1.00 0.00 C ATOM 1189 OH TYR A 79 3.784 0.533 -11.113 1.00 0.00 O ATOM 0 H TYR A 79 8.949 -5.819 -11.197 1.00 0.00 H new ATOM 0 HA TYR A 79 7.838 -3.518 -12.687 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.058 -4.561 -10.288 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.255 -3.404 -9.743 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.977 -1.096 -11.440 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.914 -3.695 -10.013 1.00 0.00 H new ATOM 0 HE1 TYR A 79 6.333 0.709 -11.681 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.272 -1.885 -10.248 1.00 0.00 H new ATOM 0 HH TYR A 79 3.071 0.250 -11.723 1.00 0.00 H new ATOM 1199 N THR A 80 10.127 -2.727 -10.574 1.00 0.00 N ATOM 1200 CA THR A 80 11.387 -2.015 -10.396 1.00 0.00 C ATOM 1201 C THR A 80 12.083 -2.449 -9.109 1.00 0.00 C ATOM 1202 O THR A 80 13.095 -3.148 -9.146 1.00 0.00 O ATOM 1203 CB THR A 80 11.143 -0.504 -10.382 1.00 0.00 C ATOM 1204 OG1 THR A 80 10.674 -0.065 -11.646 1.00 0.00 O ATOM 1205 CG2 THR A 80 12.379 0.303 -10.046 1.00 0.00 C ATOM 0 H THR A 80 9.592 -2.860 -9.716 1.00 0.00 H new ATOM 0 HA THR A 80 12.038 -2.261 -11.234 1.00 0.00 H new ATOM 0 HB THR A 80 10.401 -0.338 -9.601 1.00 0.00 H new ATOM 0 HG1 THR A 80 11.298 0.595 -12.015 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.133 1.365 -10.054 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.740 0.021 -9.057 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.155 0.105 -10.785 1.00 0.00 H new ATOM 1213 N VAL A 81 11.535 -2.026 -7.974 1.00 0.00 N ATOM 1214 CA VAL A 81 12.111 -2.363 -6.677 1.00 0.00 C ATOM 1215 C VAL A 81 11.147 -3.201 -5.842 1.00 0.00 C ATOM 1216 O VAL A 81 10.057 -2.752 -5.499 1.00 0.00 O ATOM 1217 CB VAL A 81 12.495 -1.096 -5.887 1.00 0.00 C ATOM 1218 CG1 VAL A 81 13.143 -1.465 -4.561 1.00 0.00 C ATOM 1219 CG2 VAL A 81 13.420 -0.214 -6.713 1.00 0.00 C ATOM 0 H VAL A 81 10.694 -1.450 -7.926 1.00 0.00 H new ATOM 0 HA VAL A 81 13.011 -2.946 -6.874 1.00 0.00 H new ATOM 0 HB VAL A 81 11.586 -0.534 -5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.406 -0.556 -4.019 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.444 -2.053 -3.966 1.00 0.00 H new ATOM 0 HG13 VAL A 81 14.043 -2.051 -4.747 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.681 0.676 -6.140 1.00 0.00 H new ATOM 0 HG22 VAL A 81 14.327 -0.767 -6.958 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.915 0.082 -7.633 1.00 0.00 H new ATOM 1229 N LEU A 82 11.569 -4.416 -5.516 1.00 0.00 N ATOM 1230 CA LEU A 82 10.761 -5.330 -4.718 1.00 0.00 C ATOM 1231 C LEU A 82 11.529 -5.780 -3.477 1.00 0.00 C ATOM 1232 O LEU A 82 12.392 -6.655 -3.555 1.00 0.00 O ATOM 1233 CB LEU A 82 10.371 -6.554 -5.556 1.00 0.00 C ATOM 1234 CG LEU A 82 8.961 -6.522 -6.158 1.00 0.00 C ATOM 1235 CD1 LEU A 82 7.912 -6.565 -5.060 1.00 0.00 C ATOM 1236 CD2 LEU A 82 8.776 -5.290 -7.032 1.00 0.00 C ATOM 0 H LEU A 82 12.474 -4.794 -5.795 1.00 0.00 H new ATOM 0 HA LEU A 82 9.859 -4.807 -4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.091 -6.661 -6.367 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.460 -7.443 -4.932 1.00 0.00 H new ATOM 0 HG LEU A 82 8.836 -7.404 -6.786 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.918 -6.541 -5.506 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.029 -7.481 -4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.036 -5.703 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.769 -5.288 -7.449 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.922 -4.392 -6.431 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.504 -5.306 -7.843 1.00 0.00 H new ATOM 1248 N ASP A 83 11.223 -5.170 -2.334 1.00 0.00 N ATOM 1249 CA ASP A 83 11.900 -5.506 -1.086 1.00 0.00 C ATOM 1250 C ASP A 83 10.895 -5.845 0.009 1.00 0.00 C ATOM 1251 O ASP A 83 9.737 -5.432 -0.048 1.00 0.00 O ATOM 1252 CB ASP A 83 12.789 -4.345 -0.638 1.00 0.00 C ATOM 1253 CG ASP A 83 14.144 -4.355 -1.319 1.00 0.00 C ATOM 1254 OD1 ASP A 83 14.201 -4.685 -2.522 1.00 0.00 O ATOM 1255 OD2 ASP A 83 15.148 -4.034 -0.650 1.00 0.00 O ATOM 0 H ASP A 83 10.513 -4.443 -2.247 1.00 0.00 H new ATOM 0 HA ASP A 83 12.521 -6.384 -1.264 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.285 -3.402 -0.852 1.00 0.00 H new ATOM 0 HB3 ASP A 83 12.928 -4.394 0.442 1.00 0.00 H new ATOM 1260 N ILE A 84 11.345 -6.603 1.005 1.00 0.00 N ATOM 1261 CA ILE A 84 10.484 -6.999 2.115 1.00 0.00 C ATOM 1262 C ILE A 84 11.234 -6.951 3.443 1.00 0.00 C ATOM 1263 O ILE A 84 12.459 -6.837 3.475 1.00 0.00 O ATOM 1264 CB ILE A 84 9.901 -8.417 1.920 1.00 0.00 C ATOM 1265 CG1 ILE A 84 10.997 -9.485 2.030 1.00 0.00 C ATOM 1266 CG2 ILE A 84 9.182 -8.525 0.585 1.00 0.00 C ATOM 1267 CD1 ILE A 84 12.028 -9.437 0.921 1.00 0.00 C ATOM 0 H ILE A 84 12.300 -6.955 1.066 1.00 0.00 H new ATOM 0 HA ILE A 84 9.663 -6.282 2.134 1.00 0.00 H new ATOM 0 HB ILE A 84 9.177 -8.593 2.716 1.00 0.00 H new ATOM 0 HG12 ILE A 84 11.505 -9.370 2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 84 10.529 -10.470 2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 84 8.780 -9.531 0.469 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.367 -7.802 0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.883 -8.319 -0.224 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.765 -10.225 1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 84 11.536 -9.584 -0.040 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.526 -8.468 0.929 1.00 0.00 H new ATOM 1279 N GLN A 85 10.483 -7.034 4.537 1.00 0.00 N ATOM 1280 CA GLN A 85 11.060 -7.007 5.875 1.00 0.00 C ATOM 1281 C GLN A 85 10.145 -7.718 6.869 1.00 0.00 C ATOM 1282 O GLN A 85 8.929 -7.750 6.689 1.00 0.00 O ATOM 1283 CB GLN A 85 11.292 -5.562 6.322 1.00 0.00 C ATOM 1284 CG GLN A 85 12.518 -5.386 7.201 1.00 0.00 C ATOM 1285 CD GLN A 85 12.919 -3.932 7.357 1.00 0.00 C ATOM 1286 OE1 GLN A 85 12.068 -3.051 7.476 1.00 0.00 O ATOM 1287 NE2 GLN A 85 14.222 -3.674 7.356 1.00 0.00 N ATOM 0 H GLN A 85 9.467 -7.121 4.521 1.00 0.00 H new ATOM 0 HA GLN A 85 12.017 -7.529 5.847 1.00 0.00 H new ATOM 0 HB2 GLN A 85 11.394 -4.930 5.440 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.413 -5.213 6.864 1.00 0.00 H new ATOM 0 HG2 GLN A 85 12.320 -5.812 8.185 1.00 0.00 H new ATOM 0 HG3 GLN A 85 13.350 -5.945 6.773 1.00 0.00 H new ATOM 0 HE21 GLN A 85 14.893 -4.436 7.255 1.00 0.00 H new ATOM 0 HE22 GLN A 85 14.552 -2.714 7.457 1.00 0.00 H new ATOM 1296 N GLN A 86 10.734 -8.284 7.917 1.00 0.00 N ATOM 1297 CA GLN A 86 9.964 -8.988 8.938 1.00 0.00 C ATOM 1298 C GLN A 86 10.283 -8.450 10.328 1.00 0.00 C ATOM 1299 O GLN A 86 11.345 -7.868 10.550 1.00 0.00 O ATOM 1300 CB GLN A 86 10.245 -10.492 8.881 1.00 0.00 C ATOM 1301 CG GLN A 86 11.684 -10.834 8.526 1.00 0.00 C ATOM 1302 CD GLN A 86 11.781 -11.951 7.505 1.00 0.00 C ATOM 1303 OE1 GLN A 86 12.156 -13.076 7.833 1.00 0.00 O ATOM 1304 NE2 GLN A 86 11.439 -11.645 6.259 1.00 0.00 N ATOM 0 H GLN A 86 11.740 -8.270 8.082 1.00 0.00 H new ATOM 0 HA GLN A 86 8.906 -8.819 8.737 1.00 0.00 H new ATOM 0 HB2 GLN A 86 10.004 -10.934 9.848 1.00 0.00 H new ATOM 0 HB3 GLN A 86 9.581 -10.949 8.147 1.00 0.00 H new ATOM 0 HG2 GLN A 86 12.179 -9.945 8.135 1.00 0.00 H new ATOM 0 HG3 GLN A 86 12.218 -11.125 9.430 1.00 0.00 H new ATOM 0 HE21 GLN A 86 11.134 -10.699 6.032 1.00 0.00 H new ATOM 0 HE22 GLN A 86 11.482 -12.356 5.529 1.00 0.00 H new ATOM 1313 N ASP A 87 9.354 -8.641 11.261 1.00 0.00 N ATOM 1314 CA ASP A 87 9.538 -8.167 12.628 1.00 0.00 C ATOM 1315 C ASP A 87 9.363 -9.308 13.625 1.00 0.00 C ATOM 1316 O ASP A 87 10.337 -9.926 14.052 1.00 0.00 O ATOM 1317 CB ASP A 87 8.548 -7.042 12.940 1.00 0.00 C ATOM 1318 CG ASP A 87 7.699 -6.668 11.741 1.00 0.00 C ATOM 1319 OD1 ASP A 87 6.763 -7.428 11.416 1.00 0.00 O ATOM 1320 OD2 ASP A 87 7.968 -5.614 11.127 1.00 0.00 O ATOM 0 H ASP A 87 8.469 -9.120 11.095 1.00 0.00 H new ATOM 0 HA ASP A 87 10.553 -7.780 12.719 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.899 -7.351 13.759 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.096 -6.164 13.281 1.00 0.00 H new ATOM 1325 N GLY A 88 8.114 -9.582 13.990 1.00 0.00 N ATOM 1326 CA GLY A 88 7.832 -10.653 14.927 1.00 0.00 C ATOM 1327 C GLY A 88 6.913 -11.704 14.333 1.00 0.00 C ATOM 1328 O GLY A 88 7.302 -12.415 13.407 1.00 0.00 O ATOM 0 H GLY A 88 7.292 -9.081 13.653 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.767 -11.121 15.234 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.374 -10.237 15.825 1.00 0.00 H new ATOM 1332 N PRO A 89 5.670 -11.818 14.836 1.00 0.00 N ATOM 1333 CA PRO A 89 4.703 -12.790 14.326 1.00 0.00 C ATOM 1334 C PRO A 89 4.051 -12.327 13.029 1.00 0.00 C ATOM 1335 O PRO A 89 3.074 -12.918 12.570 1.00 0.00 O ATOM 1336 CB PRO A 89 3.670 -12.865 15.447 1.00 0.00 C ATOM 1337 CG PRO A 89 3.690 -11.507 16.060 1.00 0.00 C ATOM 1338 CD PRO A 89 5.108 -11.010 15.939 1.00 0.00 C ATOM 0 HA PRO A 89 5.165 -13.747 14.084 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.681 -13.112 15.060 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.929 -13.634 16.175 1.00 0.00 H new ATOM 0 HG2 PRO A 89 2.998 -10.839 15.547 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.380 -11.547 17.104 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.141 -9.944 15.712 1.00 0.00 H new ATOM 0 HD3 PRO A 89 5.664 -11.156 16.865 1.00 0.00 H new ATOM 1346 N THR A 90 4.589 -11.257 12.449 1.00 0.00 N ATOM 1347 CA THR A 90 4.052 -10.710 11.208 1.00 0.00 C ATOM 1348 C THR A 90 5.172 -10.358 10.236 1.00 0.00 C ATOM 1349 O THR A 90 6.354 -10.485 10.558 1.00 0.00 O ATOM 1350 CB THR A 90 3.206 -9.466 11.496 1.00 0.00 C ATOM 1351 OG1 THR A 90 4.030 -8.377 11.872 1.00 0.00 O ATOM 1352 CG2 THR A 90 2.185 -9.672 12.594 1.00 0.00 C ATOM 0 H THR A 90 5.395 -10.753 12.819 1.00 0.00 H new ATOM 0 HA THR A 90 3.423 -11.473 10.750 1.00 0.00 H new ATOM 0 HB THR A 90 2.675 -9.258 10.567 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.472 -7.591 12.050 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.622 -8.751 12.745 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.502 -10.473 12.310 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.695 -9.941 13.519 1.00 0.00 H new ATOM 1360 N ILE A 91 4.787 -9.909 9.047 1.00 0.00 N ATOM 1361 CA ILE A 91 5.750 -9.537 8.020 1.00 0.00 C ATOM 1362 C ILE A 91 5.176 -8.459 7.106 1.00 0.00 C ATOM 1363 O ILE A 91 3.983 -8.463 6.799 1.00 0.00 O ATOM 1364 CB ILE A 91 6.166 -10.759 7.179 1.00 0.00 C ATOM 1365 CG1 ILE A 91 7.300 -10.385 6.221 1.00 0.00 C ATOM 1366 CG2 ILE A 91 4.971 -11.311 6.415 1.00 0.00 C ATOM 1367 CD1 ILE A 91 8.044 -11.579 5.666 1.00 0.00 C ATOM 0 H ILE A 91 3.812 -9.794 8.771 1.00 0.00 H new ATOM 0 HA ILE A 91 6.632 -9.144 8.525 1.00 0.00 H new ATOM 0 HB ILE A 91 6.529 -11.537 7.850 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.889 -9.807 5.393 1.00 0.00 H new ATOM 0 HG13 ILE A 91 8.006 -9.738 6.742 1.00 0.00 H new ATOM 0 HG21 ILE A 91 5.283 -12.174 5.826 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.197 -11.613 7.120 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.577 -10.542 5.751 1.00 0.00 H new ATOM 0 HD11 ILE A 91 8.832 -11.237 4.996 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.485 -12.146 6.486 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.351 -12.216 5.116 1.00 0.00 H new ATOM 1379 N ARG A 92 6.027 -7.529 6.685 1.00 0.00 N ATOM 1380 CA ARG A 92 5.597 -6.437 5.823 1.00 0.00 C ATOM 1381 C ARG A 92 6.484 -6.332 4.584 1.00 0.00 C ATOM 1382 O ARG A 92 7.697 -6.512 4.662 1.00 0.00 O ATOM 1383 CB ARG A 92 5.618 -5.116 6.607 1.00 0.00 C ATOM 1384 CG ARG A 92 5.871 -3.885 5.750 1.00 0.00 C ATOM 1385 CD ARG A 92 6.691 -2.844 6.495 1.00 0.00 C ATOM 1386 NE ARG A 92 6.082 -2.478 7.771 1.00 0.00 N ATOM 1387 CZ ARG A 92 6.781 -2.128 8.846 1.00 0.00 C ATOM 1388 NH1 ARG A 92 8.106 -2.094 8.799 1.00 0.00 N ATOM 1389 NH2 ARG A 92 6.155 -1.809 9.970 1.00 0.00 N ATOM 0 H ARG A 92 7.018 -7.511 6.927 1.00 0.00 H new ATOM 0 HA ARG A 92 4.579 -6.641 5.490 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.664 -4.997 7.121 1.00 0.00 H new ATOM 0 HB3 ARG A 92 6.389 -5.175 7.375 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.393 -4.176 4.839 1.00 0.00 H new ATOM 0 HG3 ARG A 92 4.919 -3.450 5.447 1.00 0.00 H new ATOM 0 HD2 ARG A 92 7.695 -3.231 6.670 1.00 0.00 H new ATOM 0 HD3 ARG A 92 6.796 -1.954 5.875 1.00 0.00 H new ATOM 0 HE ARG A 92 5.065 -2.492 7.841 1.00 0.00 H new ATOM 0 HH11 ARG A 92 8.592 -2.337 7.936 1.00 0.00 H new ATOM 0 HH12 ARG A 92 8.639 -1.825 9.626 1.00 0.00 H new ATOM 0 HH21 ARG A 92 5.136 -1.832 10.010 1.00 0.00 H new ATOM 0 HH22 ARG A 92 6.692 -1.541 10.794 1.00 0.00 H new ATOM 1403 N TYR A 93 5.869 -6.015 3.448 1.00 0.00 N ATOM 1404 CA TYR A 93 6.601 -5.857 2.196 1.00 0.00 C ATOM 1405 C TYR A 93 6.351 -4.474 1.603 1.00 0.00 C ATOM 1406 O TYR A 93 5.335 -3.843 1.892 1.00 0.00 O ATOM 1407 CB TYR A 93 6.188 -6.932 1.188 1.00 0.00 C ATOM 1408 CG TYR A 93 5.646 -8.202 1.810 1.00 0.00 C ATOM 1409 CD1 TYR A 93 6.459 -9.031 2.573 1.00 0.00 C ATOM 1410 CD2 TYR A 93 4.329 -8.588 1.604 1.00 0.00 C ATOM 1411 CE1 TYR A 93 5.967 -10.199 3.127 1.00 0.00 C ATOM 1412 CE2 TYR A 93 3.828 -9.751 2.157 1.00 0.00 C ATOM 1413 CZ TYR A 93 4.650 -10.552 2.917 1.00 0.00 C ATOM 1414 OH TYR A 93 4.155 -11.713 3.469 1.00 0.00 O ATOM 0 H TYR A 93 4.864 -5.862 3.369 1.00 0.00 H new ATOM 0 HA TYR A 93 7.664 -5.966 2.411 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.431 -6.517 0.523 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.051 -7.184 0.571 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.491 -8.759 2.736 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.683 -7.968 1.000 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.610 -10.831 3.721 1.00 0.00 H new ATOM 0 HE2 TYR A 93 2.797 -10.030 1.994 1.00 0.00 H new ATOM 0 HH TYR A 93 3.211 -11.814 3.226 1.00 0.00 H new ATOM 1424 N LEU A 94 7.284 -4.002 0.781 1.00 0.00 N ATOM 1425 CA LEU A 94 7.155 -2.688 0.158 1.00 0.00 C ATOM 1426 C LEU A 94 7.934 -2.612 -1.150 1.00 0.00 C ATOM 1427 O LEU A 94 9.023 -3.173 -1.271 1.00 0.00 O ATOM 1428 CB LEU A 94 7.646 -1.600 1.115 1.00 0.00 C ATOM 1429 CG LEU A 94 8.866 -1.982 1.955 1.00 0.00 C ATOM 1430 CD1 LEU A 94 9.842 -0.820 2.038 1.00 0.00 C ATOM 1431 CD2 LEU A 94 8.434 -2.420 3.347 1.00 0.00 C ATOM 0 H LEU A 94 8.134 -4.507 0.531 1.00 0.00 H new ATOM 0 HA LEU A 94 6.100 -2.529 -0.065 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.887 -0.709 0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.830 -1.332 1.787 1.00 0.00 H new ATOM 0 HG LEU A 94 9.371 -2.818 1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.703 -1.111 2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.174 -0.551 1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.350 0.036 2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.313 -2.689 3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.906 -1.602 3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.773 -3.283 3.268 1.00 0.00 H new ATOM 1443 N ILE A 95 7.370 -1.904 -2.125 1.00 0.00 N ATOM 1444 CA ILE A 95 8.010 -1.736 -3.426 1.00 0.00 C ATOM 1445 C ILE A 95 8.057 -0.259 -3.814 1.00 0.00 C ATOM 1446 O ILE A 95 7.321 0.558 -3.263 1.00 0.00 O ATOM 1447 CB ILE A 95 7.289 -2.555 -4.526 1.00 0.00 C ATOM 1448 CG1 ILE A 95 6.289 -1.690 -5.305 1.00 0.00 C ATOM 1449 CG2 ILE A 95 6.576 -3.749 -3.911 1.00 0.00 C ATOM 1450 CD1 ILE A 95 6.848 -1.130 -6.594 1.00 0.00 C ATOM 0 H ILE A 95 6.468 -1.436 -2.038 1.00 0.00 H new ATOM 0 HA ILE A 95 9.029 -2.113 -3.341 1.00 0.00 H new ATOM 0 HB ILE A 95 8.045 -2.909 -5.226 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.405 -2.286 -5.531 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.964 -0.865 -4.671 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.073 -4.316 -4.695 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.303 -4.388 -3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.840 -3.400 -3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.086 -0.530 -7.091 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.715 -0.507 -6.374 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.147 -1.950 -7.247 1.00 0.00 H new ATOM 1462 N GLN A 96 8.932 0.081 -4.754 1.00 0.00 N ATOM 1463 CA GLN A 96 9.061 1.461 -5.208 1.00 0.00 C ATOM 1464 C GLN A 96 9.596 1.521 -6.637 1.00 0.00 C ATOM 1465 O GLN A 96 10.175 0.555 -7.134 1.00 0.00 O ATOM 1466 CB GLN A 96 9.981 2.245 -4.268 1.00 0.00 C ATOM 1467 CG GLN A 96 11.449 1.870 -4.393 1.00 0.00 C ATOM 1468 CD GLN A 96 12.171 1.877 -3.061 1.00 0.00 C ATOM 1469 OE1 GLN A 96 11.717 1.265 -2.093 1.00 0.00 O ATOM 1470 NE2 GLN A 96 13.304 2.567 -3.005 1.00 0.00 N ATOM 0 H GLN A 96 9.560 -0.577 -5.215 1.00 0.00 H new ATOM 0 HA GLN A 96 8.070 1.915 -5.196 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.869 3.310 -4.470 1.00 0.00 H new ATOM 0 HB3 GLN A 96 9.660 2.080 -3.239 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.530 0.879 -4.840 1.00 0.00 H new ATOM 0 HG3 GLN A 96 11.941 2.567 -5.072 1.00 0.00 H new ATOM 0 HE21 GLN A 96 13.643 3.059 -3.832 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.836 2.605 -2.135 1.00 0.00 H new ATOM 1479 N LYS A 97 9.410 2.667 -7.287 1.00 0.00 N ATOM 1480 CA LYS A 97 9.875 2.855 -8.656 1.00 0.00 C ATOM 1481 C LYS A 97 10.802 4.062 -8.755 1.00 0.00 C ATOM 1482 O LYS A 97 11.074 4.687 -7.708 1.00 0.00 O ATOM 1483 CB LYS A 97 8.685 3.040 -9.598 1.00 0.00 C ATOM 1484 CG LYS A 97 8.714 2.121 -10.808 1.00 0.00 C ATOM 1485 CD LYS A 97 8.664 2.908 -12.108 1.00 0.00 C ATOM 1486 CE LYS A 97 9.987 2.841 -12.852 1.00 0.00 C ATOM 1487 NZ LYS A 97 10.229 4.062 -13.670 1.00 0.00 N ATOM 1488 OXT LYS A 97 11.246 4.376 -9.880 1.00 0.00 O ATOM 0 H LYS A 97 8.940 3.479 -6.886 1.00 0.00 H new ATOM 0 HA LYS A 97 10.431 1.965 -8.949 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.763 2.866 -9.043 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.661 4.075 -9.939 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.619 1.514 -10.784 1.00 0.00 H new ATOM 0 HG3 LYS A 97 7.869 1.434 -10.765 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.869 2.515 -12.742 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.417 3.948 -11.895 1.00 0.00 H new ATOM 0 HE2 LYS A 97 10.800 2.717 -12.136 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.995 1.964 -13.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.142 3.976 -14.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.468 4.167 -14.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.247 4.897 -13.050 1.00 0.00 H new