USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=14 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 48 MET CE :methyl -159:sc= -3.44 (180deg=-4.09!) USER MOD Set 1.2: A 77 HIS : no HD1:sc= -0.128 X(o=-3.6,f=-3.9) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 7 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.32) USER MOD Single : A 8 HIS : no HD1:sc= 0.182 K(o=0.18,f=-1.3!) USER MOD Single : A 9 HIS : no HE2:sc= 0.0486 X(o=0.049,f=-0.27) USER MOD Single : A 10 HIS : no HD1:sc= 0.169 K(o=0.17,f=-2.3!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0455 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 -80:sc= -0.268 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.087) 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= -0.104 USER MOD Single : A 63 CYS SG : rot 114:sc= -0.665 USER MOD Single : A 65 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.63) USER MOD Single : A 66 SER OG : rot -39:sc= 0.00431 USER MOD Single : A 68 ASN :FLIP amide:sc= -2.02 F(o=-2.6!,f=-2) USER MOD Single : A 69 ASN : amide:sc= -1.05 K(o=-1.1,f=-2.5!) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot -34:sc= 0.689 USER MOD Single : A 80 THR OG1 : rot -100:sc= -0.529 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) 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= -0.199 USER MOD Single : A 96 GLN : amide:sc= -2.26! C(o=-2.3!,f=-3!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N HIS A 6 -1.474 16.011 24.253 1.00 0.00 N ATOM 67 CA HIS A 6 -2.212 17.253 24.057 1.00 0.00 C ATOM 68 C HIS A 6 -3.716 17.013 24.144 1.00 0.00 C ATOM 69 O HIS A 6 -4.196 15.914 23.865 1.00 0.00 O ATOM 70 CB HIS A 6 -1.863 17.877 22.703 1.00 0.00 C ATOM 71 CG HIS A 6 -1.682 16.874 21.605 1.00 0.00 C ATOM 72 ND1 HIS A 6 -0.472 16.711 20.976 1.00 0.00 N ATOM 73 CD2 HIS A 6 -2.581 16.012 21.067 1.00 0.00 C ATOM 74 CE1 HIS A 6 -0.656 15.762 20.074 1.00 0.00 C ATOM 75 NE2 HIS A 6 -1.918 15.310 20.095 1.00 0.00 N ATOM 0 HA HIS A 6 -1.924 17.942 24.851 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -2.652 18.574 22.420 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -0.947 18.458 22.806 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -3.617 15.901 21.350 1.00 0.00 H new ATOM 0 HE1 HIS A 6 0.111 15.398 19.407 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -2.311 14.581 19.500 1.00 0.00 H new ATOM 83 N HIS A 7 -4.454 18.048 24.536 1.00 0.00 N ATOM 84 CA HIS A 7 -5.903 17.949 24.663 1.00 0.00 C ATOM 85 C HIS A 7 -6.585 18.189 23.320 1.00 0.00 C ATOM 86 O HIS A 7 -6.007 18.793 22.418 1.00 0.00 O ATOM 87 CB HIS A 7 -6.414 18.954 25.698 1.00 0.00 C ATOM 88 CG HIS A 7 -6.100 18.570 27.110 1.00 0.00 C ATOM 89 ND1 HIS A 7 -6.045 17.253 27.498 1.00 0.00 N ATOM 90 CD2 HIS A 7 -5.832 19.358 28.180 1.00 0.00 C ATOM 91 CE1 HIS A 7 -5.748 17.266 28.786 1.00 0.00 C ATOM 92 NE2 HIS A 7 -5.610 18.519 29.241 1.00 0.00 N ATOM 0 H HIS A 7 -4.072 18.964 24.771 1.00 0.00 H new ATOM 0 HA HIS A 7 -6.146 16.940 24.996 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -5.978 19.931 25.490 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -7.494 19.058 25.590 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -5.800 20.437 28.194 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -5.632 16.381 29.394 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -5.383 18.796 30.196 1.00 0.00 H new ATOM 100 N HIS A 8 -7.819 17.708 23.195 1.00 0.00 N ATOM 101 CA HIS A 8 -8.582 17.864 21.962 1.00 0.00 C ATOM 102 C HIS A 8 -8.875 19.335 21.683 1.00 0.00 C ATOM 103 O HIS A 8 -9.015 20.137 22.607 1.00 0.00 O ATOM 104 CB HIS A 8 -9.893 17.078 22.046 1.00 0.00 C ATOM 105 CG HIS A 8 -9.725 15.691 22.584 1.00 0.00 C ATOM 106 ND1 HIS A 8 -9.760 15.436 23.934 1.00 0.00 N ATOM 107 CD2 HIS A 8 -9.524 14.526 21.919 1.00 0.00 C ATOM 108 CE1 HIS A 8 -9.581 14.134 24.063 1.00 0.00 C ATOM 109 NE2 HIS A 8 -9.434 13.541 22.869 1.00 0.00 N ATOM 0 H HIS A 8 -8.312 17.206 23.934 1.00 0.00 H new ATOM 0 HA HIS A 8 -7.981 17.471 21.142 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -10.594 17.622 22.679 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -10.338 17.022 21.053 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -9.449 14.399 20.849 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -9.556 13.613 25.009 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -9.284 12.546 22.700 1.00 0.00 H new ATOM 117 N HIS A 9 -8.967 19.683 20.403 1.00 0.00 N ATOM 118 CA HIS A 9 -9.241 21.059 20.000 1.00 0.00 C ATOM 119 C HIS A 9 -10.443 21.126 19.065 1.00 0.00 C ATOM 120 O HIS A 9 -10.779 20.147 18.398 1.00 0.00 O ATOM 121 CB HIS A 9 -8.015 21.661 19.313 1.00 0.00 C ATOM 122 CG HIS A 9 -7.129 22.437 20.238 1.00 0.00 C ATOM 123 ND1 HIS A 9 -6.421 21.817 21.241 1.00 0.00 N ATOM 124 CD2 HIS A 9 -6.871 23.767 20.271 1.00 0.00 C ATOM 125 CE1 HIS A 9 -5.753 22.775 21.858 1.00 0.00 C ATOM 126 NE2 HIS A 9 -5.995 23.972 21.305 1.00 0.00 N ATOM 0 H HIS A 9 -8.856 19.031 19.627 1.00 0.00 H new ATOM 0 HA HIS A 9 -9.470 21.635 20.897 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -7.435 20.859 18.856 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -8.346 22.315 18.506 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -6.413 20.821 21.463 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -7.277 24.519 19.611 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -5.096 22.615 22.700 1.00 0.00 H new ATOM 134 N HIS A 10 -11.086 22.290 19.020 1.00 0.00 N ATOM 135 CA HIS A 10 -12.249 22.488 18.164 1.00 0.00 C ATOM 136 C HIS A 10 -11.869 23.237 16.890 1.00 0.00 C ATOM 137 O HIS A 10 -11.640 24.447 16.914 1.00 0.00 O ATOM 138 CB HIS A 10 -13.342 23.253 18.915 1.00 0.00 C ATOM 139 CG HIS A 10 -12.827 24.418 19.706 1.00 0.00 C ATOM 140 ND1 HIS A 10 -12.142 24.238 20.884 1.00 0.00 N ATOM 141 CD2 HIS A 10 -12.926 25.745 19.447 1.00 0.00 C ATOM 142 CE1 HIS A 10 -11.839 25.450 21.314 1.00 0.00 C ATOM 143 NE2 HIS A 10 -12.292 26.393 20.476 1.00 0.00 N ATOM 0 H HIS A 10 -10.820 23.109 19.567 1.00 0.00 H new ATOM 0 HA HIS A 10 -12.632 21.506 17.885 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -14.081 23.610 18.198 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -13.856 22.567 19.588 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -13.410 26.202 18.597 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.296 25.655 22.225 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -12.185 27.402 20.583 1.00 0.00 H new ATOM 151 N SER A 11 -11.799 22.509 15.780 1.00 0.00 N ATOM 152 CA SER A 11 -11.446 23.102 14.496 1.00 0.00 C ATOM 153 C SER A 11 -12.695 23.405 13.674 1.00 0.00 C ATOM 154 O SER A 11 -13.751 22.811 13.890 1.00 0.00 O ATOM 155 CB SER A 11 -10.523 22.164 13.715 1.00 0.00 C ATOM 156 OG SER A 11 -10.529 20.861 14.270 1.00 0.00 O ATOM 0 H SER A 11 -11.982 21.506 15.744 1.00 0.00 H new ATOM 0 HA SER A 11 -10.924 24.039 14.688 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.842 22.120 12.674 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.508 22.560 13.721 1.00 0.00 H new ATOM 0 HG SER A 11 -9.933 20.282 13.751 1.00 0.00 H new ATOM 162 N SER A 12 -12.567 24.337 12.734 1.00 0.00 N ATOM 163 CA SER A 12 -13.685 24.723 11.880 1.00 0.00 C ATOM 164 C SER A 12 -13.364 24.463 10.412 1.00 0.00 C ATOM 165 O SER A 12 -14.027 23.661 9.755 1.00 0.00 O ATOM 166 CB SER A 12 -14.024 26.201 12.085 1.00 0.00 C ATOM 167 OG SER A 12 -13.853 26.582 13.439 1.00 0.00 O ATOM 0 H SER A 12 -11.700 24.839 12.545 1.00 0.00 H new ATOM 0 HA SER A 12 -14.547 24.117 12.158 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.387 26.815 11.448 1.00 0.00 H new ATOM 0 HB3 SER A 12 -15.054 26.387 11.779 1.00 0.00 H new ATOM 0 HG SER A 12 -14.074 27.531 13.542 1.00 0.00 H new ATOM 173 N GLY A 13 -12.343 25.148 9.905 1.00 0.00 N ATOM 174 CA GLY A 13 -11.952 24.978 8.518 1.00 0.00 C ATOM 175 C GLY A 13 -10.610 24.285 8.375 1.00 0.00 C ATOM 176 O GLY A 13 -10.293 23.371 9.136 1.00 0.00 O ATOM 0 H GLY A 13 -11.780 25.817 10.430 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -12.714 24.398 7.997 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.907 25.954 8.034 1.00 0.00 H new ATOM 390 N ASP A 27 1.114 3.669 -4.182 1.00 0.00 N ATOM 391 CA ASP A 27 0.305 2.927 -5.140 1.00 0.00 C ATOM 392 C ASP A 27 -0.790 2.152 -4.420 1.00 0.00 C ATOM 393 O ASP A 27 -1.953 2.557 -4.444 1.00 0.00 O ATOM 394 CB ASP A 27 1.170 1.972 -5.966 1.00 0.00 C ATOM 395 CG ASP A 27 1.076 2.242 -7.456 1.00 0.00 C ATOM 396 OD1 ASP A 27 0.206 3.040 -7.863 1.00 0.00 O ATOM 397 OD2 ASP A 27 1.874 1.654 -8.217 1.00 0.00 O ATOM 0 HA ASP A 27 -0.156 3.644 -5.819 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.209 2.062 -5.649 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.864 0.945 -5.766 1.00 0.00 H new ATOM 402 N TYR A 28 -0.436 1.029 -3.787 1.00 0.00 N ATOM 403 CA TYR A 28 -1.445 0.251 -3.067 1.00 0.00 C ATOM 404 C TYR A 28 -0.948 -0.201 -1.698 1.00 0.00 C ATOM 405 O TYR A 28 0.247 -0.153 -1.408 1.00 0.00 O ATOM 406 CB TYR A 28 -1.891 -0.955 -3.896 1.00 0.00 C ATOM 407 CG TYR A 28 -3.332 -1.350 -3.663 1.00 0.00 C ATOM 408 CD1 TYR A 28 -4.372 -0.630 -4.236 1.00 0.00 C ATOM 409 CD2 TYR A 28 -3.651 -2.446 -2.871 1.00 0.00 C ATOM 410 CE1 TYR A 28 -5.689 -0.989 -4.026 1.00 0.00 C ATOM 411 CE2 TYR A 28 -4.966 -2.812 -2.657 1.00 0.00 C ATOM 412 CZ TYR A 28 -5.981 -2.081 -3.237 1.00 0.00 C ATOM 413 OH TYR A 28 -7.292 -2.442 -3.024 1.00 0.00 O ATOM 0 H TYR A 28 0.510 0.649 -3.758 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.302 0.906 -2.906 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.751 -0.730 -4.953 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.248 -1.804 -3.663 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.147 0.225 -4.856 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.858 -3.021 -2.415 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.486 -0.417 -4.478 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.198 -3.666 -2.038 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.324 -3.233 -2.447 1.00 0.00 H new ATOM 423 N ARG A 29 -1.888 -0.623 -0.853 1.00 0.00 N ATOM 424 CA ARG A 29 -1.565 -1.088 0.490 1.00 0.00 C ATOM 425 C ARG A 29 -2.310 -2.382 0.811 1.00 0.00 C ATOM 426 O ARG A 29 -3.536 -2.392 0.920 1.00 0.00 O ATOM 427 CB ARG A 29 -1.918 -0.019 1.527 1.00 0.00 C ATOM 428 CG ARG A 29 -1.575 1.397 1.090 1.00 0.00 C ATOM 429 CD ARG A 29 -2.764 2.083 0.437 1.00 0.00 C ATOM 430 NE ARG A 29 -3.180 3.274 1.173 1.00 0.00 N ATOM 431 CZ ARG A 29 -4.218 4.030 0.828 1.00 0.00 C ATOM 432 NH1 ARG A 29 -4.944 3.720 -0.239 1.00 0.00 N ATOM 433 NH2 ARG A 29 -4.531 5.098 1.548 1.00 0.00 N ATOM 0 H ARG A 29 -2.882 -0.651 -1.079 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.493 -1.282 0.529 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.985 -0.074 1.743 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.393 -0.240 2.456 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.249 1.976 1.954 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.740 1.370 0.390 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.506 2.360 -0.585 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.598 1.384 0.377 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.644 3.541 1.999 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.706 2.900 -0.797 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.740 4.302 -0.501 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.975 5.341 2.368 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.328 5.677 1.282 1.00 0.00 H new ATOM 447 N LEU A 30 -1.561 -3.472 0.969 1.00 0.00 N ATOM 448 CA LEU A 30 -2.151 -4.767 1.294 1.00 0.00 C ATOM 449 C LEU A 30 -1.820 -5.160 2.732 1.00 0.00 C ATOM 450 O LEU A 30 -0.893 -5.929 2.977 1.00 0.00 O ATOM 451 CB LEU A 30 -1.650 -5.843 0.317 1.00 0.00 C ATOM 452 CG LEU A 30 -2.603 -7.025 0.087 1.00 0.00 C ATOM 453 CD1 LEU A 30 -2.517 -8.013 1.244 1.00 0.00 C ATOM 454 CD2 LEU A 30 -4.034 -6.535 -0.093 1.00 0.00 C ATOM 0 H LEU A 30 -0.545 -3.483 0.877 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.234 -4.687 1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.448 -5.370 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.701 -6.231 0.687 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.300 -7.537 -0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.199 -8.844 1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.498 -8.391 1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.793 -7.512 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.693 -7.388 -0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.350 -5.997 0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.085 -5.869 -0.954 1.00 0.00 H new ATOM 466 N ASP A 31 -2.587 -4.629 3.680 1.00 0.00 N ATOM 467 CA ASP A 31 -2.355 -4.905 5.095 1.00 0.00 C ATOM 468 C ASP A 31 -3.370 -5.905 5.643 1.00 0.00 C ATOM 469 O ASP A 31 -4.242 -5.547 6.436 1.00 0.00 O ATOM 470 CB ASP A 31 -2.417 -3.607 5.904 1.00 0.00 C ATOM 471 CG ASP A 31 -2.360 -2.371 5.027 1.00 0.00 C ATOM 472 OD1 ASP A 31 -1.263 -2.052 4.522 1.00 0.00 O ATOM 473 OD2 ASP A 31 -3.412 -1.721 4.848 1.00 0.00 O ATOM 0 H ASP A 31 -3.373 -4.006 3.495 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.362 -5.344 5.189 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.337 -3.591 6.489 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.589 -3.584 6.612 1.00 0.00 H new ATOM 478 N MET A 32 -3.270 -7.153 5.194 1.00 0.00 N ATOM 479 CA MET A 32 -4.172 -8.204 5.655 1.00 0.00 C ATOM 480 C MET A 32 -3.411 -9.498 5.957 1.00 0.00 C ATOM 481 O MET A 32 -2.686 -9.591 6.950 1.00 0.00 O ATOM 482 CB MET A 32 -5.267 -8.456 4.614 1.00 0.00 C ATOM 483 CG MET A 32 -6.562 -7.712 4.899 1.00 0.00 C ATOM 484 SD MET A 32 -7.865 -8.109 3.719 1.00 0.00 S ATOM 485 CE MET A 32 -9.228 -7.161 4.388 1.00 0.00 C ATOM 0 H MET A 32 -2.575 -7.461 4.513 1.00 0.00 H new ATOM 0 HA MET A 32 -4.637 -7.868 6.582 1.00 0.00 H new ATOM 0 HB2 MET A 32 -4.897 -8.161 3.632 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.475 -9.525 4.569 1.00 0.00 H new ATOM 0 HG2 MET A 32 -6.902 -7.955 5.906 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.372 -6.639 4.877 1.00 0.00 H new ATOM 0 HE1 MET A 32 -10.111 -7.304 3.765 1.00 0.00 H new ATOM 0 HE2 MET A 32 -9.442 -7.497 5.403 1.00 0.00 H new ATOM 0 HE3 MET A 32 -8.963 -6.104 4.405 1.00 0.00 H new ATOM 495 N VAL A 33 -3.607 -10.507 5.111 1.00 0.00 N ATOM 496 CA VAL A 33 -2.950 -11.798 5.282 1.00 0.00 C ATOM 497 C VAL A 33 -2.384 -12.300 3.958 1.00 0.00 C ATOM 498 O VAL A 33 -3.028 -12.183 2.915 1.00 0.00 O ATOM 499 CB VAL A 33 -3.925 -12.854 5.843 1.00 0.00 C ATOM 500 CG1 VAL A 33 -3.185 -14.136 6.198 1.00 0.00 C ATOM 501 CG2 VAL A 33 -4.672 -12.312 7.052 1.00 0.00 C ATOM 0 H VAL A 33 -4.219 -10.453 4.297 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.137 -11.651 5.993 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.656 -13.086 5.068 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.891 -14.867 6.592 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.706 -14.539 5.306 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.427 -13.922 6.951 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.353 -13.074 7.430 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.958 -12.045 7.831 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.241 -11.428 6.762 1.00 0.00 H new ATOM 511 N GLY A 34 -1.181 -12.863 4.009 1.00 0.00 N ATOM 512 CA GLY A 34 -0.552 -13.382 2.808 1.00 0.00 C ATOM 513 C GLY A 34 -1.133 -14.717 2.381 1.00 0.00 C ATOM 514 O GLY A 34 -0.472 -15.751 2.488 1.00 0.00 O ATOM 0 H GLY A 34 -0.630 -12.969 4.861 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.671 -12.662 1.999 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.518 -13.493 2.981 1.00 0.00 H new ATOM 518 N GLU A 35 -2.372 -14.693 1.901 1.00 0.00 N ATOM 519 CA GLU A 35 -3.048 -15.907 1.461 1.00 0.00 C ATOM 520 C GLU A 35 -3.458 -15.790 -0.008 1.00 0.00 C ATOM 521 O GLU A 35 -3.893 -14.728 -0.453 1.00 0.00 O ATOM 522 CB GLU A 35 -4.273 -16.166 2.343 1.00 0.00 C ATOM 523 CG GLU A 35 -5.284 -17.119 1.728 1.00 0.00 C ATOM 524 CD GLU A 35 -6.367 -17.531 2.705 1.00 0.00 C ATOM 525 OE1 GLU A 35 -7.086 -16.639 3.205 1.00 0.00 O ATOM 526 OE2 GLU A 35 -6.498 -18.744 2.970 1.00 0.00 O ATOM 0 H GLU A 35 -2.929 -13.844 1.807 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.361 -16.748 1.555 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.941 -16.571 3.299 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.765 -15.216 2.553 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.744 -16.645 0.861 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.767 -18.009 1.368 1.00 0.00 H new ATOM 593 N PRO A 40 -5.025 -10.795 -3.206 1.00 0.00 N ATOM 594 CA PRO A 40 -4.872 -9.407 -2.776 1.00 0.00 C ATOM 595 C PRO A 40 -4.007 -8.587 -3.734 1.00 0.00 C ATOM 596 O PRO A 40 -4.442 -7.559 -4.253 1.00 0.00 O ATOM 597 CB PRO A 40 -4.178 -9.536 -1.410 1.00 0.00 C ATOM 598 CG PRO A 40 -3.840 -10.989 -1.233 1.00 0.00 C ATOM 599 CD PRO A 40 -4.021 -11.648 -2.570 1.00 0.00 C ATOM 0 HA PRO A 40 -5.828 -8.885 -2.742 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.278 -8.922 -1.374 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.832 -9.190 -0.609 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.815 -11.106 -0.881 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.488 -11.448 -0.486 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.092 -11.675 -3.139 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.365 -12.678 -2.472 1.00 0.00 H new ATOM 607 N ALA A 41 -2.792 -9.073 -3.977 1.00 0.00 N ATOM 608 CA ALA A 41 -1.827 -8.406 -4.859 1.00 0.00 C ATOM 609 C ALA A 41 -2.392 -8.083 -6.243 1.00 0.00 C ATOM 610 O ALA A 41 -1.678 -7.533 -7.082 1.00 0.00 O ATOM 611 CB ALA A 41 -0.589 -9.274 -5.010 1.00 0.00 C ATOM 0 H ALA A 41 -2.445 -9.941 -3.569 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.579 -7.455 -4.388 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.126 -8.777 -5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.135 -9.434 -4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.869 -10.235 -5.441 1.00 0.00 H new ATOM 617 N VAL A 42 -3.650 -8.435 -6.495 1.00 0.00 N ATOM 618 CA VAL A 42 -4.276 -8.144 -7.782 1.00 0.00 C ATOM 619 C VAL A 42 -4.017 -6.696 -8.191 1.00 0.00 C ATOM 620 O VAL A 42 -3.935 -6.378 -9.378 1.00 0.00 O ATOM 621 CB VAL A 42 -5.798 -8.392 -7.740 1.00 0.00 C ATOM 622 CG1 VAL A 42 -6.451 -7.985 -9.054 1.00 0.00 C ATOM 623 CG2 VAL A 42 -6.091 -9.849 -7.426 1.00 0.00 C ATOM 0 H VAL A 42 -4.253 -8.919 -5.830 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.832 -8.817 -8.515 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.221 -7.776 -6.947 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.524 -8.169 -9.000 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.274 -6.925 -9.235 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.023 -8.569 -9.869 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.169 -10.006 -7.400 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.650 -10.483 -8.196 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.664 -10.105 -6.456 1.00 0.00 H new ATOM 633 N ALA A 43 -3.897 -5.821 -7.194 1.00 0.00 N ATOM 634 CA ALA A 43 -3.625 -4.411 -7.443 1.00 0.00 C ATOM 635 C ALA A 43 -2.182 -4.205 -7.887 1.00 0.00 C ATOM 636 O ALA A 43 -1.904 -3.406 -8.780 1.00 0.00 O ATOM 637 CB ALA A 43 -3.922 -3.589 -6.199 1.00 0.00 C ATOM 0 H ALA A 43 -3.984 -6.066 -6.208 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.277 -4.074 -8.249 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.714 -2.538 -6.399 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.971 -3.706 -5.927 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.294 -3.933 -5.377 1.00 0.00 H new ATOM 643 N THR A 44 -1.269 -4.931 -7.248 1.00 0.00 N ATOM 644 CA THR A 44 0.153 -4.835 -7.561 1.00 0.00 C ATOM 645 C THR A 44 0.413 -5.082 -9.044 1.00 0.00 C ATOM 646 O THR A 44 1.094 -4.297 -9.706 1.00 0.00 O ATOM 647 CB THR A 44 0.943 -5.842 -6.727 1.00 0.00 C ATOM 648 OG1 THR A 44 0.304 -6.066 -5.484 1.00 0.00 O ATOM 649 CG2 THR A 44 2.364 -5.402 -6.444 1.00 0.00 C ATOM 0 H THR A 44 -1.491 -5.595 -6.507 1.00 0.00 H new ATOM 0 HA THR A 44 0.480 -3.824 -7.320 1.00 0.00 H new ATOM 0 HB THR A 44 0.978 -6.753 -7.324 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.520 -5.335 -4.868 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.868 -6.162 -5.848 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.897 -5.266 -7.385 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.351 -4.460 -5.895 1.00 0.00 H new ATOM 657 N LEU A 45 -0.125 -6.184 -9.558 1.00 0.00 N ATOM 658 CA LEU A 45 0.064 -6.549 -10.958 1.00 0.00 C ATOM 659 C LEU A 45 -0.518 -5.493 -11.891 1.00 0.00 C ATOM 660 O LEU A 45 0.165 -5.005 -12.791 1.00 0.00 O ATOM 661 CB LEU A 45 -0.579 -7.908 -11.244 1.00 0.00 C ATOM 662 CG LEU A 45 0.175 -9.112 -10.675 1.00 0.00 C ATOM 663 CD1 LEU A 45 -0.636 -10.385 -10.865 1.00 0.00 C ATOM 664 CD2 LEU A 45 1.541 -9.245 -11.328 1.00 0.00 C ATOM 0 H LEU A 45 -0.696 -6.840 -9.025 1.00 0.00 H new ATOM 0 HA LEU A 45 1.136 -6.612 -11.143 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.591 -7.907 -10.838 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.668 -8.031 -12.323 1.00 0.00 H new ATOM 0 HG LEU A 45 0.322 -8.953 -9.607 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.086 -11.232 -10.455 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.591 -10.289 -10.348 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.813 -10.548 -11.928 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.062 -10.107 -10.910 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.419 -9.381 -12.403 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.123 -8.343 -11.140 1.00 0.00 H new ATOM 676 N GLU A 46 -1.785 -5.150 -11.678 1.00 0.00 N ATOM 677 CA GLU A 46 -2.459 -4.159 -12.510 1.00 0.00 C ATOM 678 C GLU A 46 -1.846 -2.774 -12.322 1.00 0.00 C ATOM 679 O GLU A 46 -2.108 -1.858 -13.102 1.00 0.00 O ATOM 680 CB GLU A 46 -3.955 -4.119 -12.186 1.00 0.00 C ATOM 681 CG GLU A 46 -4.265 -3.575 -10.800 1.00 0.00 C ATOM 682 CD GLU A 46 -5.377 -2.544 -10.815 1.00 0.00 C ATOM 683 OE1 GLU A 46 -5.325 -1.626 -11.661 1.00 0.00 O ATOM 684 OE2 GLU A 46 -6.298 -2.652 -9.979 1.00 0.00 O ATOM 0 H GLU A 46 -2.365 -5.543 -10.937 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.328 -4.452 -13.552 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.463 -3.505 -12.930 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.363 -5.126 -12.271 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.547 -4.399 -10.145 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.365 -3.127 -10.379 1.00 0.00 H new ATOM 691 N ALA A 47 -1.033 -2.626 -11.281 1.00 0.00 N ATOM 692 CA ALA A 47 -0.379 -1.354 -10.996 1.00 0.00 C ATOM 693 C ALA A 47 0.736 -1.068 -11.999 1.00 0.00 C ATOM 694 O ALA A 47 0.911 0.071 -12.436 1.00 0.00 O ATOM 695 CB ALA A 47 0.169 -1.346 -9.577 1.00 0.00 C ATOM 0 H ALA A 47 -0.811 -3.371 -10.621 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.125 -0.565 -11.089 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.654 -0.390 -9.380 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.648 -1.491 -8.871 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.894 -2.151 -9.463 1.00 0.00 H new ATOM 701 N MET A 48 1.489 -2.108 -12.354 1.00 0.00 N ATOM 702 CA MET A 48 2.597 -1.969 -13.297 1.00 0.00 C ATOM 703 C MET A 48 2.176 -1.190 -14.546 1.00 0.00 C ATOM 704 O MET A 48 2.819 -0.205 -14.903 1.00 0.00 O ATOM 705 CB MET A 48 3.153 -3.341 -13.686 1.00 0.00 C ATOM 706 CG MET A 48 4.340 -3.775 -12.842 1.00 0.00 C ATOM 707 SD MET A 48 4.729 -5.525 -13.037 1.00 0.00 S ATOM 708 CE MET A 48 3.181 -6.276 -12.541 1.00 0.00 C ATOM 0 H MET A 48 1.352 -3.056 -12.003 1.00 0.00 H new ATOM 0 HA MET A 48 3.383 -1.402 -12.798 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.361 -4.084 -13.595 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.451 -3.320 -14.734 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.212 -3.180 -13.115 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.130 -3.568 -11.793 1.00 0.00 H new ATOM 0 HE1 MET A 48 3.356 -7.311 -12.249 1.00 0.00 H new ATOM 0 HE2 MET A 48 2.764 -5.726 -11.697 1.00 0.00 H new ATOM 0 HE3 MET A 48 2.479 -6.248 -13.375 1.00 0.00 H new ATOM 718 N PRO A 49 1.086 -1.599 -15.227 1.00 0.00 N ATOM 719 CA PRO A 49 0.602 -0.882 -16.410 1.00 0.00 C ATOM 720 C PRO A 49 0.225 0.557 -16.074 1.00 0.00 C ATOM 721 O PRO A 49 0.778 1.503 -16.632 1.00 0.00 O ATOM 722 CB PRO A 49 -0.638 -1.675 -16.845 1.00 0.00 C ATOM 723 CG PRO A 49 -0.499 -3.005 -16.186 1.00 0.00 C ATOM 724 CD PRO A 49 0.228 -2.750 -14.899 1.00 0.00 C ATOM 0 HA PRO A 49 1.361 -0.817 -17.189 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.555 -1.175 -16.534 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.682 -1.775 -17.930 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.475 -3.454 -16.001 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.056 -3.698 -16.818 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.460 -2.522 -14.085 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.814 -3.615 -14.588 1.00 0.00 H new ATOM 732 N GLN A 50 -0.734 0.708 -15.163 1.00 0.00 N ATOM 733 CA GLN A 50 -1.187 2.026 -14.727 1.00 0.00 C ATOM 734 C GLN A 50 -0.174 2.701 -13.796 1.00 0.00 C ATOM 735 O GLN A 50 -0.544 3.558 -12.994 1.00 0.00 O ATOM 736 CB GLN A 50 -2.538 1.905 -14.018 1.00 0.00 C ATOM 737 CG GLN A 50 -3.422 3.131 -14.177 1.00 0.00 C ATOM 738 CD GLN A 50 -4.884 2.836 -13.901 1.00 0.00 C ATOM 739 OE1 GLN A 50 -5.476 1.946 -14.511 1.00 0.00 O ATOM 740 NE2 GLN A 50 -5.475 3.586 -12.978 1.00 0.00 N ATOM 0 H GLN A 50 -1.214 -0.070 -14.711 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.289 2.649 -15.616 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.066 1.034 -14.407 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.367 1.726 -12.956 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.079 3.912 -13.499 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.319 3.520 -15.190 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.946 4.313 -12.496 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.458 3.435 -12.751 1.00 0.00 H new ATOM 749 N LEU A 51 1.099 2.317 -13.902 1.00 0.00 N ATOM 750 CA LEU A 51 2.143 2.879 -13.040 1.00 0.00 C ATOM 751 C LEU A 51 2.293 4.389 -13.231 1.00 0.00 C ATOM 752 O LEU A 51 1.374 5.066 -13.694 1.00 0.00 O ATOM 753 CB LEU A 51 3.490 2.167 -13.274 1.00 0.00 C ATOM 754 CG LEU A 51 4.225 2.444 -14.604 1.00 0.00 C ATOM 755 CD1 LEU A 51 3.276 2.890 -15.708 1.00 0.00 C ATOM 756 CD2 LEU A 51 5.335 3.464 -14.410 1.00 0.00 C ATOM 0 H LEU A 51 1.432 1.623 -14.572 1.00 0.00 H new ATOM 0 HA LEU A 51 1.833 2.710 -12.009 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.159 2.438 -12.458 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.319 1.093 -13.202 1.00 0.00 H new ATOM 0 HG LEU A 51 4.669 1.500 -14.921 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.841 3.072 -16.622 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.536 2.111 -15.888 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.771 3.807 -15.405 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.837 3.641 -15.361 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.910 4.399 -14.044 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.055 3.085 -13.685 1.00 0.00 H new ATOM 768 N LYS A 52 3.448 4.912 -12.834 1.00 0.00 N ATOM 769 CA LYS A 52 3.725 6.342 -12.943 1.00 0.00 C ATOM 770 C LYS A 52 5.210 6.632 -12.752 1.00 0.00 C ATOM 771 O LYS A 52 6.021 5.716 -12.614 1.00 0.00 O ATOM 772 CB LYS A 52 2.915 7.118 -11.899 1.00 0.00 C ATOM 773 CG LYS A 52 1.684 7.806 -12.467 1.00 0.00 C ATOM 774 CD LYS A 52 1.936 9.285 -12.709 1.00 0.00 C ATOM 775 CE LYS A 52 1.396 9.730 -14.059 1.00 0.00 C ATOM 776 NZ LYS A 52 0.754 11.071 -13.987 1.00 0.00 N ATOM 0 H LYS A 52 4.210 4.366 -12.432 1.00 0.00 H new ATOM 0 HA LYS A 52 3.435 6.663 -13.944 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.605 6.433 -11.110 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.558 7.867 -11.437 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.397 7.327 -13.403 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.848 7.686 -11.778 1.00 0.00 H new ATOM 0 HD2 LYS A 52 1.466 9.869 -11.918 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.006 9.485 -12.660 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.209 9.756 -14.784 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.671 9.000 -14.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.399 11.337 -14.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.038 11.041 -13.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.452 11.773 -13.669 1.00 0.00 H new ATOM 790 N LYS A 53 5.557 7.915 -12.723 1.00 0.00 N ATOM 791 CA LYS A 53 6.943 8.330 -12.536 1.00 0.00 C ATOM 792 C LYS A 53 7.311 8.349 -11.054 1.00 0.00 C ATOM 793 O LYS A 53 8.069 9.208 -10.603 1.00 0.00 O ATOM 794 CB LYS A 53 7.167 9.717 -13.146 1.00 0.00 C ATOM 795 CG LYS A 53 6.684 9.837 -14.582 1.00 0.00 C ATOM 796 CD LYS A 53 6.991 11.207 -15.162 1.00 0.00 C ATOM 797 CE LYS A 53 5.769 11.818 -15.827 1.00 0.00 C ATOM 798 NZ LYS A 53 5.881 13.299 -15.941 1.00 0.00 N ATOM 0 H LYS A 53 4.897 8.686 -12.827 1.00 0.00 H new ATOM 0 HA LYS A 53 7.584 7.608 -13.042 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.653 10.460 -12.536 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.230 9.953 -13.108 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.159 9.068 -15.192 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.610 9.657 -14.622 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.344 11.868 -14.370 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.798 11.122 -15.890 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.642 11.386 -16.820 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.878 11.564 -15.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.028 13.677 -16.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.977 13.714 -14.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.717 13.541 -16.511 1.00 0.00 H new ATOM 812 N GLY A 54 6.766 7.396 -10.302 1.00 0.00 N ATOM 813 CA GLY A 54 7.047 7.322 -8.879 1.00 0.00 C ATOM 814 C GLY A 54 5.898 6.721 -8.091 1.00 0.00 C ATOM 815 O GLY A 54 4.898 7.389 -7.831 1.00 0.00 O ATOM 0 H GLY A 54 6.136 6.675 -10.653 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.945 6.724 -8.720 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.259 8.322 -8.501 1.00 0.00 H new ATOM 819 N GLU A 55 6.045 5.457 -7.708 1.00 0.00 N ATOM 820 CA GLU A 55 5.016 4.764 -6.944 1.00 0.00 C ATOM 821 C GLU A 55 5.582 4.200 -5.647 1.00 0.00 C ATOM 822 O GLU A 55 6.773 4.324 -5.369 1.00 0.00 O ATOM 823 CB GLU A 55 4.401 3.637 -7.770 1.00 0.00 C ATOM 824 CG GLU A 55 5.424 2.761 -8.471 1.00 0.00 C ATOM 825 CD GLU A 55 5.049 2.461 -9.909 1.00 0.00 C ATOM 826 OE1 GLU A 55 3.839 2.446 -10.217 1.00 0.00 O ATOM 827 OE2 GLU A 55 5.966 2.239 -10.727 1.00 0.00 O ATOM 0 H GLU A 55 6.868 4.892 -7.915 1.00 0.00 H new ATOM 0 HA GLU A 55 4.241 5.490 -6.698 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.789 3.014 -7.118 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.734 4.069 -8.516 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.396 3.255 -8.448 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.530 1.824 -7.924 1.00 0.00 H new ATOM 834 N ILE A 56 4.703 3.588 -4.857 1.00 0.00 N ATOM 835 CA ILE A 56 5.072 2.993 -3.576 1.00 0.00 C ATOM 836 C ILE A 56 4.009 1.966 -3.185 1.00 0.00 C ATOM 837 O ILE A 56 2.928 1.938 -3.762 1.00 0.00 O ATOM 838 CB ILE A 56 5.213 4.075 -2.471 1.00 0.00 C ATOM 839 CG1 ILE A 56 6.587 4.747 -2.551 1.00 0.00 C ATOM 840 CG2 ILE A 56 5.006 3.487 -1.082 1.00 0.00 C ATOM 841 CD1 ILE A 56 6.717 5.973 -1.674 1.00 0.00 C ATOM 0 H ILE A 56 3.714 3.491 -5.088 1.00 0.00 H new ATOM 0 HA ILE A 56 6.041 2.504 -3.677 1.00 0.00 H new ATOM 0 HB ILE A 56 4.437 4.821 -2.643 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.352 4.025 -2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.784 5.029 -3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.112 4.273 -0.335 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.008 3.055 -1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.750 2.711 -0.901 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.716 6.394 -1.783 1.00 0.00 H new ATOM 0 HD12 ILE A 56 5.976 6.714 -1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.553 5.695 -0.633 1.00 0.00 H new ATOM 853 N LEU A 57 4.326 1.068 -2.273 1.00 0.00 N ATOM 854 CA LEU A 57 3.358 0.062 -1.879 1.00 0.00 C ATOM 855 C LEU A 57 3.713 -0.554 -0.535 1.00 0.00 C ATOM 856 O LEU A 57 4.851 -0.963 -0.307 1.00 0.00 O ATOM 857 CB LEU A 57 3.260 -0.994 -2.970 1.00 0.00 C ATOM 858 CG LEU A 57 2.300 -2.132 -2.694 1.00 0.00 C ATOM 859 CD1 LEU A 57 1.107 -1.994 -3.610 1.00 0.00 C ATOM 860 CD2 LEU A 57 2.982 -3.478 -2.886 1.00 0.00 C ATOM 0 H LEU A 57 5.227 1.013 -1.799 1.00 0.00 H new ATOM 0 HA LEU A 57 2.383 0.535 -1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.960 -0.506 -3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.253 -1.412 -3.137 1.00 0.00 H new ATOM 0 HG LEU A 57 1.968 -2.084 -1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.407 -2.808 -3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.613 -1.040 -3.423 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.438 -2.034 -4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.271 -4.279 -2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.338 -3.562 -3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.826 -3.559 -2.201 1.00 0.00 H new ATOM 872 N GLU A 58 2.733 -0.602 0.359 1.00 0.00 N ATOM 873 CA GLU A 58 2.936 -1.148 1.692 1.00 0.00 C ATOM 874 C GLU A 58 2.034 -2.354 1.925 1.00 0.00 C ATOM 875 O GLU A 58 0.810 -2.242 1.886 1.00 0.00 O ATOM 876 CB GLU A 58 2.659 -0.077 2.750 1.00 0.00 C ATOM 877 CG GLU A 58 2.906 1.343 2.259 1.00 0.00 C ATOM 878 CD GLU A 58 2.082 2.371 3.010 1.00 0.00 C ATOM 879 OE1 GLU A 58 0.934 2.630 2.593 1.00 0.00 O ATOM 880 OE2 GLU A 58 2.587 2.918 4.013 1.00 0.00 O ATOM 0 H GLU A 58 1.786 -0.267 0.182 1.00 0.00 H new ATOM 0 HA GLU A 58 3.974 -1.471 1.774 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.624 -0.163 3.080 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.288 -0.266 3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.964 1.582 2.367 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.672 1.402 1.196 1.00 0.00 H new ATOM 887 N VAL A 59 2.649 -3.505 2.163 1.00 0.00 N ATOM 888 CA VAL A 59 1.904 -4.736 2.397 1.00 0.00 C ATOM 889 C VAL A 59 2.191 -5.292 3.786 1.00 0.00 C ATOM 890 O VAL A 59 3.297 -5.752 4.063 1.00 0.00 O ATOM 891 CB VAL A 59 2.244 -5.811 1.353 1.00 0.00 C ATOM 892 CG1 VAL A 59 1.443 -7.075 1.624 1.00 0.00 C ATOM 893 CG2 VAL A 59 1.986 -5.296 -0.054 1.00 0.00 C ATOM 0 H VAL A 59 3.663 -3.612 2.199 1.00 0.00 H new ATOM 0 HA VAL A 59 0.847 -4.483 2.315 1.00 0.00 H new ATOM 0 HB VAL A 59 3.304 -6.050 1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.692 -7.830 0.878 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.684 -7.453 2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.378 -6.849 1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.233 -6.073 -0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.935 -5.027 -0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.605 -4.418 -0.239 1.00 0.00 H new ATOM 903 N VAL A 60 1.174 -5.294 4.638 1.00 0.00 N ATOM 904 CA VAL A 60 1.319 -5.811 5.992 1.00 0.00 C ATOM 905 C VAL A 60 0.405 -7.009 6.204 1.00 0.00 C ATOM 906 O VAL A 60 -0.778 -6.861 6.510 1.00 0.00 O ATOM 907 CB VAL A 60 1.007 -4.737 7.054 1.00 0.00 C ATOM 908 CG1 VAL A 60 2.009 -4.814 8.195 1.00 0.00 C ATOM 909 CG2 VAL A 60 1.001 -3.346 6.433 1.00 0.00 C ATOM 0 H VAL A 60 0.242 -4.944 4.416 1.00 0.00 H new ATOM 0 HA VAL A 60 2.359 -6.115 6.109 1.00 0.00 H new ATOM 0 HB VAL A 60 0.012 -4.930 7.455 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.776 -4.050 8.936 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.956 -5.799 8.660 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.015 -4.649 7.808 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.779 -2.605 7.201 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.979 -3.137 6.000 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.241 -3.299 5.653 1.00 0.00 H new ATOM 919 N SER A 61 0.955 -8.198 6.002 1.00 0.00 N ATOM 920 CA SER A 61 0.188 -9.423 6.141 1.00 0.00 C ATOM 921 C SER A 61 0.872 -10.393 7.091 1.00 0.00 C ATOM 922 O SER A 61 2.049 -10.238 7.416 1.00 0.00 O ATOM 923 CB SER A 61 0.001 -10.081 4.773 1.00 0.00 C ATOM 924 OG SER A 61 0.328 -9.184 3.725 1.00 0.00 O ATOM 0 H SER A 61 1.931 -8.338 5.741 1.00 0.00 H new ATOM 0 HA SER A 61 -0.787 -9.167 6.557 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.629 -10.969 4.705 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.032 -10.412 4.663 1.00 0.00 H new ATOM 0 HG SER A 61 0.202 -9.630 2.861 1.00 0.00 H new ATOM 930 N ASP A 62 0.136 -11.416 7.505 1.00 0.00 N ATOM 931 CA ASP A 62 0.673 -12.425 8.409 1.00 0.00 C ATOM 932 C ASP A 62 0.677 -13.796 7.742 1.00 0.00 C ATOM 933 O ASP A 62 -0.306 -14.196 7.120 1.00 0.00 O ATOM 934 CB ASP A 62 -0.144 -12.476 9.702 1.00 0.00 C ATOM 935 CG ASP A 62 -1.582 -12.040 9.496 1.00 0.00 C ATOM 936 OD1 ASP A 62 -1.855 -10.826 9.603 1.00 0.00 O ATOM 937 OD2 ASP A 62 -2.435 -12.913 9.231 1.00 0.00 O ATOM 0 H ASP A 62 -0.834 -11.569 7.230 1.00 0.00 H new ATOM 0 HA ASP A 62 1.700 -12.151 8.652 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.128 -13.491 10.098 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.324 -11.835 10.449 1.00 0.00 H new ATOM 942 N CYS A 63 1.797 -14.500 7.853 1.00 0.00 N ATOM 943 CA CYS A 63 1.933 -15.819 7.248 1.00 0.00 C ATOM 944 C CYS A 63 2.929 -16.678 8.025 1.00 0.00 C ATOM 945 O CYS A 63 4.026 -16.226 8.350 1.00 0.00 O ATOM 946 CB CYS A 63 2.385 -15.688 5.792 1.00 0.00 C ATOM 947 SG CYS A 63 2.009 -17.130 4.769 1.00 0.00 S ATOM 0 H CYS A 63 2.624 -14.179 8.356 1.00 0.00 H new ATOM 0 HA CYS A 63 0.959 -16.307 7.280 1.00 0.00 H new ATOM 0 HB2 CYS A 63 1.910 -14.811 5.353 1.00 0.00 H new ATOM 0 HB3 CYS A 63 3.460 -15.512 5.771 1.00 0.00 H new ATOM 0 HG CYS A 63 1.132 -16.805 3.866 1.00 0.00 H new ATOM 953 N PRO A 64 2.558 -17.935 8.334 1.00 0.00 N ATOM 954 CA PRO A 64 3.428 -18.853 9.074 1.00 0.00 C ATOM 955 C PRO A 64 4.584 -19.366 8.223 1.00 0.00 C ATOM 956 O PRO A 64 5.579 -19.868 8.747 1.00 0.00 O ATOM 957 CB PRO A 64 2.490 -20.001 9.448 1.00 0.00 C ATOM 958 CG PRO A 64 1.454 -20.000 8.379 1.00 0.00 C ATOM 959 CD PRO A 64 1.266 -18.559 7.986 1.00 0.00 C ATOM 0 HA PRO A 64 3.898 -18.370 9.931 1.00 0.00 H new ATOM 0 HB2 PRO A 64 3.022 -20.952 9.485 1.00 0.00 H new ATOM 0 HB3 PRO A 64 2.046 -19.846 10.431 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.773 -20.599 7.526 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.520 -20.431 8.740 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.045 -18.458 6.923 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.440 -18.100 8.528 1.00 0.00 H new ATOM 967 N GLN A 65 4.446 -19.237 6.907 1.00 0.00 N ATOM 968 CA GLN A 65 5.476 -19.689 5.981 1.00 0.00 C ATOM 969 C GLN A 65 6.501 -18.588 5.724 1.00 0.00 C ATOM 970 O GLN A 65 6.593 -17.622 6.482 1.00 0.00 O ATOM 971 CB GLN A 65 4.845 -20.136 4.661 1.00 0.00 C ATOM 972 CG GLN A 65 4.994 -21.625 4.390 1.00 0.00 C ATOM 973 CD GLN A 65 3.713 -22.395 4.645 1.00 0.00 C ATOM 974 OE1 GLN A 65 2.624 -21.949 4.285 1.00 0.00 O ATOM 975 NE2 GLN A 65 3.839 -23.561 5.271 1.00 0.00 N ATOM 0 H GLN A 65 3.629 -18.822 6.458 1.00 0.00 H new ATOM 0 HA GLN A 65 5.989 -20.537 6.435 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.785 -19.881 4.669 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.301 -19.579 3.843 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.303 -21.773 3.355 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.787 -22.028 5.020 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.762 -23.892 5.552 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.013 -24.125 5.471 1.00 0.00 H new ATOM 984 N SER A 66 7.271 -18.745 4.652 1.00 0.00 N ATOM 985 CA SER A 66 8.294 -17.771 4.293 1.00 0.00 C ATOM 986 C SER A 66 7.996 -17.144 2.935 1.00 0.00 C ATOM 987 O SER A 66 8.544 -16.095 2.591 1.00 0.00 O ATOM 988 CB SER A 66 9.670 -18.439 4.263 1.00 0.00 C ATOM 989 OG SER A 66 10.707 -17.480 4.359 1.00 0.00 O ATOM 0 H SER A 66 7.205 -19.540 4.016 1.00 0.00 H new ATOM 0 HA SER A 66 8.292 -16.983 5.046 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.750 -19.149 5.086 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.781 -19.007 3.340 1.00 0.00 H new ATOM 0 HG SER A 66 10.472 -16.690 3.829 1.00 0.00 H new ATOM 995 N ILE A 67 7.130 -17.794 2.166 1.00 0.00 N ATOM 996 CA ILE A 67 6.763 -17.304 0.843 1.00 0.00 C ATOM 997 C ILE A 67 5.956 -16.012 0.938 1.00 0.00 C ATOM 998 O ILE A 67 4.953 -15.945 1.649 1.00 0.00 O ATOM 999 CB ILE A 67 5.949 -18.353 0.061 1.00 0.00 C ATOM 1000 CG1 ILE A 67 6.724 -19.668 -0.027 1.00 0.00 C ATOM 1001 CG2 ILE A 67 5.610 -17.838 -1.330 1.00 0.00 C ATOM 1002 CD1 ILE A 67 5.838 -20.881 -0.210 1.00 0.00 C ATOM 0 H ILE A 67 6.669 -18.663 2.436 1.00 0.00 H new ATOM 0 HA ILE A 67 7.693 -17.107 0.309 1.00 0.00 H new ATOM 0 HB ILE A 67 5.016 -18.536 0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.426 -19.612 -0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 67 7.315 -19.793 0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.035 -18.592 -1.867 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.021 -16.925 -1.246 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.531 -17.628 -1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.455 -21.778 -0.264 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.154 -20.962 0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.266 -20.778 -1.132 1.00 0.00 H new ATOM 1014 N ASN A 68 6.400 -14.993 0.211 1.00 0.00 N ATOM 1015 CA ASN A 68 5.725 -13.701 0.204 1.00 0.00 C ATOM 1016 C ASN A 68 4.744 -13.612 -0.963 1.00 0.00 C ATOM 1017 O ASN A 68 5.105 -13.873 -2.108 1.00 0.00 O ATOM 1018 CB ASN A 68 6.753 -12.573 0.121 1.00 0.00 C ATOM 1019 CG ASN A 68 8.128 -13.007 0.589 1.00 0.00 C ATOM 1020 OD1 ASN A 68 9.103 -12.958 -0.313 1.00 0.00 O flip ATOM 1021 ND2 ASN A 68 8.313 -13.383 1.746 1.00 0.00 N flip ATOM 0 H ASN A 68 7.228 -15.037 -0.383 1.00 0.00 H new ATOM 0 HA ASN A 68 5.162 -13.598 1.132 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.818 -12.219 -0.908 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.415 -11.732 0.727 1.00 0.00 H new ATOM 0 HD21 ASN A 68 7.535 -13.405 2.406 1.00 0.00 H new ATOM 0 HD22 ASN A 68 9.244 -13.673 2.045 1.00 0.00 H new ATOM 1028 N ASN A 69 3.493 -13.278 -0.656 1.00 0.00 N ATOM 1029 CA ASN A 69 2.441 -13.212 -1.667 1.00 0.00 C ATOM 1030 C ASN A 69 2.573 -11.995 -2.585 1.00 0.00 C ATOM 1031 O ASN A 69 3.050 -12.109 -3.714 1.00 0.00 O ATOM 1032 CB ASN A 69 1.067 -13.202 -0.990 1.00 0.00 C ATOM 1033 CG ASN A 69 0.157 -14.295 -1.515 1.00 0.00 C ATOM 1034 OD1 ASN A 69 0.609 -15.241 -2.161 1.00 0.00 O ATOM 1035 ND2 ASN A 69 -1.136 -14.171 -1.238 1.00 0.00 N ATOM 0 H ASN A 69 3.182 -13.048 0.288 1.00 0.00 H new ATOM 0 HA ASN A 69 2.547 -14.098 -2.293 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.194 -13.324 0.086 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.594 -12.232 -1.147 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.797 -14.876 -1.564 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.468 -13.371 -0.699 1.00 0.00 H new ATOM 1042 N ILE A 70 2.078 -10.849 -2.115 1.00 0.00 N ATOM 1043 CA ILE A 70 2.043 -9.622 -2.917 1.00 0.00 C ATOM 1044 C ILE A 70 3.349 -9.355 -3.678 1.00 0.00 C ATOM 1045 O ILE A 70 3.322 -9.149 -4.892 1.00 0.00 O ATOM 1046 CB ILE A 70 1.694 -8.383 -2.058 1.00 0.00 C ATOM 1047 CG1 ILE A 70 0.626 -8.725 -1.013 1.00 0.00 C ATOM 1048 CG2 ILE A 70 1.224 -7.238 -2.945 1.00 0.00 C ATOM 1049 CD1 ILE A 70 -0.645 -9.305 -1.597 1.00 0.00 C ATOM 0 H ILE A 70 1.693 -10.744 -1.176 1.00 0.00 H new ATOM 0 HA ILE A 70 1.256 -9.789 -3.652 1.00 0.00 H new ATOM 0 HB ILE A 70 2.595 -8.069 -1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.044 -9.437 -0.301 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.378 -7.823 -0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.982 -6.374 -2.326 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.015 -6.972 -3.646 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.337 -7.547 -3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.350 -9.520 -0.794 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.089 -8.587 -2.287 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.413 -10.226 -2.132 1.00 0.00 H new ATOM 1061 N PRO A 71 4.507 -9.309 -2.988 1.00 0.00 N ATOM 1062 CA PRO A 71 5.791 -9.016 -3.640 1.00 0.00 C ATOM 1063 C PRO A 71 6.165 -10.043 -4.704 1.00 0.00 C ATOM 1064 O PRO A 71 6.927 -9.741 -5.622 1.00 0.00 O ATOM 1065 CB PRO A 71 6.804 -9.038 -2.491 1.00 0.00 C ATOM 1066 CG PRO A 71 6.133 -9.786 -1.394 1.00 0.00 C ATOM 1067 CD PRO A 71 4.664 -9.516 -1.540 1.00 0.00 C ATOM 0 HA PRO A 71 5.756 -8.065 -4.172 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.730 -9.527 -2.792 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.065 -8.027 -2.177 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.342 -10.853 -1.466 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.494 -9.456 -0.420 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.063 -10.353 -1.185 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.357 -8.638 -0.971 1.00 0.00 H new ATOM 1075 N LEU A 72 5.626 -11.252 -4.583 1.00 0.00 N ATOM 1076 CA LEU A 72 5.912 -12.310 -5.548 1.00 0.00 C ATOM 1077 C LEU A 72 5.272 -12.003 -6.898 1.00 0.00 C ATOM 1078 O LEU A 72 5.815 -12.351 -7.947 1.00 0.00 O ATOM 1079 CB LEU A 72 5.409 -13.658 -5.031 1.00 0.00 C ATOM 1080 CG LEU A 72 5.845 -14.870 -5.856 1.00 0.00 C ATOM 1081 CD1 LEU A 72 6.457 -15.936 -4.958 1.00 0.00 C ATOM 1082 CD2 LEU A 72 4.667 -15.436 -6.635 1.00 0.00 C ATOM 0 H LEU A 72 4.992 -11.523 -3.831 1.00 0.00 H new ATOM 0 HA LEU A 72 6.993 -12.360 -5.678 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.757 -13.790 -4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.320 -13.634 -4.997 1.00 0.00 H new ATOM 0 HG LEU A 72 6.604 -14.547 -6.569 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.761 -16.790 -5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.328 -15.525 -4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.721 -16.257 -4.221 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.995 -16.298 -7.216 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.885 -15.744 -5.940 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.275 -14.673 -7.307 1.00 0.00 H new ATOM 1094 N ASP A 73 4.113 -11.354 -6.863 1.00 0.00 N ATOM 1095 CA ASP A 73 3.399 -10.995 -8.082 1.00 0.00 C ATOM 1096 C ASP A 73 4.185 -9.963 -8.882 1.00 0.00 C ATOM 1097 O ASP A 73 4.456 -10.157 -10.066 1.00 0.00 O ATOM 1098 CB ASP A 73 2.011 -10.446 -7.749 1.00 0.00 C ATOM 1099 CG ASP A 73 0.967 -11.540 -7.641 1.00 0.00 C ATOM 1100 OD1 ASP A 73 0.641 -12.153 -8.679 1.00 0.00 O ATOM 1101 OD2 ASP A 73 0.476 -11.785 -6.519 1.00 0.00 O ATOM 0 H ASP A 73 3.648 -11.066 -6.002 1.00 0.00 H new ATOM 0 HA ASP A 73 3.287 -11.896 -8.685 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.057 -9.897 -6.808 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.710 -9.735 -8.519 1.00 0.00 H new ATOM 1106 N ALA A 74 4.548 -8.867 -8.223 1.00 0.00 N ATOM 1107 CA ALA A 74 5.318 -7.811 -8.867 1.00 0.00 C ATOM 1108 C ALA A 74 6.677 -8.337 -9.315 1.00 0.00 C ATOM 1109 O ALA A 74 7.188 -7.954 -10.367 1.00 0.00 O ATOM 1110 CB ALA A 74 5.487 -6.629 -7.926 1.00 0.00 C ATOM 0 H ALA A 74 4.321 -8.688 -7.245 1.00 0.00 H new ATOM 0 HA ALA A 74 4.773 -7.475 -9.749 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.064 -5.849 -8.422 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.507 -6.238 -7.654 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.011 -6.952 -7.027 1.00 0.00 H new ATOM 1116 N ARG A 75 7.249 -9.228 -8.510 1.00 0.00 N ATOM 1117 CA ARG A 75 8.541 -9.825 -8.820 1.00 0.00 C ATOM 1118 C ARG A 75 8.445 -10.713 -10.057 1.00 0.00 C ATOM 1119 O ARG A 75 9.397 -10.820 -10.832 1.00 0.00 O ATOM 1120 CB ARG A 75 9.043 -10.641 -7.625 1.00 0.00 C ATOM 1121 CG ARG A 75 10.308 -11.433 -7.913 1.00 0.00 C ATOM 1122 CD ARG A 75 11.265 -11.403 -6.733 1.00 0.00 C ATOM 1123 NE ARG A 75 10.701 -12.052 -5.553 1.00 0.00 N ATOM 1124 CZ ARG A 75 10.716 -11.513 -4.337 1.00 0.00 C ATOM 1125 NH1 ARG A 75 11.264 -10.320 -4.143 1.00 0.00 N ATOM 1126 NH2 ARG A 75 10.183 -12.165 -3.312 1.00 0.00 N ATOM 0 H ARG A 75 6.835 -9.552 -7.636 1.00 0.00 H new ATOM 0 HA ARG A 75 9.249 -9.023 -9.027 1.00 0.00 H new ATOM 0 HB2 ARG A 75 9.230 -9.967 -6.789 1.00 0.00 H new ATOM 0 HB3 ARG A 75 8.258 -11.329 -7.311 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.047 -12.466 -8.145 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.802 -11.024 -8.794 1.00 0.00 H new ATOM 0 HD2 ARG A 75 12.196 -11.899 -7.009 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.513 -10.369 -6.494 1.00 0.00 H new ATOM 0 HE ARG A 75 10.271 -12.970 -5.667 1.00 0.00 H new ATOM 0 HH11 ARG A 75 11.675 -9.814 -4.927 1.00 0.00 H new ATOM 0 HH12 ARG A 75 11.274 -9.909 -3.209 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.760 -13.082 -3.455 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.196 -11.749 -2.381 1.00 0.00 H new ATOM 1140 N ASN A 76 7.291 -11.349 -10.236 1.00 0.00 N ATOM 1141 CA ASN A 76 7.069 -12.225 -11.381 1.00 0.00 C ATOM 1142 C ASN A 76 7.205 -11.452 -12.688 1.00 0.00 C ATOM 1143 O ASN A 76 8.068 -11.755 -13.512 1.00 0.00 O ATOM 1144 CB ASN A 76 5.682 -12.866 -11.298 1.00 0.00 C ATOM 1145 CG ASN A 76 5.539 -14.055 -12.227 1.00 0.00 C ATOM 1146 OD1 ASN A 76 6.172 -15.092 -12.031 1.00 0.00 O ATOM 1147 ND2 ASN A 76 4.702 -13.908 -13.249 1.00 0.00 N ATOM 0 H ASN A 76 6.495 -11.274 -9.602 1.00 0.00 H new ATOM 0 HA ASN A 76 7.826 -13.009 -11.360 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.493 -13.184 -10.273 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.925 -12.122 -11.546 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.564 -14.673 -13.909 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.198 -13.030 -13.373 1.00 0.00 H new ATOM 1154 N HIS A 77 6.352 -10.449 -12.867 1.00 0.00 N ATOM 1155 CA HIS A 77 6.386 -9.621 -14.066 1.00 0.00 C ATOM 1156 C HIS A 77 7.659 -8.783 -14.101 1.00 0.00 C ATOM 1157 O HIS A 77 8.487 -8.932 -15.000 1.00 0.00 O ATOM 1158 CB HIS A 77 5.157 -8.711 -14.118 1.00 0.00 C ATOM 1159 CG HIS A 77 4.753 -8.327 -15.507 1.00 0.00 C ATOM 1160 ND1 HIS A 77 5.556 -8.598 -16.590 1.00 0.00 N ATOM 1161 CD2 HIS A 77 3.630 -7.698 -15.935 1.00 0.00 C ATOM 1162 CE1 HIS A 77 4.911 -8.132 -17.645 1.00 0.00 C ATOM 1163 NE2 HIS A 77 3.741 -7.579 -17.296 1.00 0.00 N ATOM 0 H HIS A 77 5.628 -10.190 -12.196 1.00 0.00 H new ATOM 0 HA HIS A 77 6.376 -10.276 -14.937 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.322 -9.215 -13.632 1.00 0.00 H new ATOM 0 HB3 HIS A 77 5.361 -7.807 -13.545 1.00 0.00 H new ATOM 0 HD2 HIS A 77 2.808 -7.357 -15.323 1.00 0.00 H new ATOM 0 HE1 HIS A 77 5.279 -8.189 -18.659 1.00 0.00 H new ATOM 0 HE2 HIS A 77 3.061 -7.151 -17.925 1.00 0.00 H new ATOM 1171 N GLY A 78 7.816 -7.910 -13.109 1.00 0.00 N ATOM 1172 CA GLY A 78 9.001 -7.077 -13.036 1.00 0.00 C ATOM 1173 C GLY A 78 8.685 -5.616 -12.779 1.00 0.00 C ATOM 1174 O GLY A 78 8.493 -4.843 -13.717 1.00 0.00 O ATOM 0 H GLY A 78 7.143 -7.766 -12.356 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.650 -7.447 -12.243 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.557 -7.164 -13.969 1.00 0.00 H new ATOM 1178 N TYR A 79 8.650 -5.232 -11.505 1.00 0.00 N ATOM 1179 CA TYR A 79 8.390 -3.846 -11.132 1.00 0.00 C ATOM 1180 C TYR A 79 9.702 -3.084 -10.975 1.00 0.00 C ATOM 1181 O TYR A 79 10.752 -3.542 -11.427 1.00 0.00 O ATOM 1182 CB TYR A 79 7.579 -3.776 -9.831 1.00 0.00 C ATOM 1183 CG TYR A 79 6.373 -2.862 -9.906 1.00 0.00 C ATOM 1184 CD1 TYR A 79 6.395 -1.704 -10.676 1.00 0.00 C ATOM 1185 CD2 TYR A 79 5.217 -3.150 -9.191 1.00 0.00 C ATOM 1186 CE1 TYR A 79 5.297 -0.868 -10.740 1.00 0.00 C ATOM 1187 CE2 TYR A 79 4.115 -2.318 -9.249 1.00 0.00 C ATOM 1188 CZ TYR A 79 4.160 -1.178 -10.025 1.00 0.00 C ATOM 1189 OH TYR A 79 3.066 -0.346 -10.084 1.00 0.00 O ATOM 0 H TYR A 79 8.798 -5.861 -10.716 1.00 0.00 H new ATOM 0 HA TYR A 79 7.806 -3.382 -11.927 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.246 -4.780 -9.568 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.231 -3.436 -9.026 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.286 -1.454 -11.233 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.179 -4.039 -8.579 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.329 0.024 -11.347 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.223 -2.559 -8.690 1.00 0.00 H new ATOM 0 HH TYR A 79 3.366 0.583 -10.175 1.00 0.00 H new ATOM 1199 N THR A 80 9.639 -1.923 -10.333 1.00 0.00 N ATOM 1200 CA THR A 80 10.826 -1.103 -10.126 1.00 0.00 C ATOM 1201 C THR A 80 11.621 -1.587 -8.917 1.00 0.00 C ATOM 1202 O THR A 80 12.629 -2.279 -9.063 1.00 0.00 O ATOM 1203 CB THR A 80 10.430 0.363 -9.943 1.00 0.00 C ATOM 1204 OG1 THR A 80 9.571 0.777 -10.991 1.00 0.00 O ATOM 1205 CG2 THR A 80 11.613 1.306 -9.916 1.00 0.00 C ATOM 0 H THR A 80 8.780 -1.529 -9.948 1.00 0.00 H new ATOM 0 HA THR A 80 11.459 -1.193 -11.009 1.00 0.00 H new ATOM 0 HB THR A 80 9.930 0.413 -8.975 1.00 0.00 H new ATOM 0 HG1 THR A 80 10.086 1.277 -11.658 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.260 2.329 -9.784 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.272 1.040 -9.090 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.160 1.230 -10.855 1.00 0.00 H new ATOM 1213 N VAL A 81 11.162 -1.221 -7.723 1.00 0.00 N ATOM 1214 CA VAL A 81 11.835 -1.621 -6.493 1.00 0.00 C ATOM 1215 C VAL A 81 10.980 -2.599 -5.693 1.00 0.00 C ATOM 1216 O VAL A 81 9.887 -2.259 -5.248 1.00 0.00 O ATOM 1217 CB VAL A 81 12.169 -0.404 -5.610 1.00 0.00 C ATOM 1218 CG1 VAL A 81 13.031 -0.819 -4.426 1.00 0.00 C ATOM 1219 CG2 VAL A 81 12.861 0.676 -6.428 1.00 0.00 C ATOM 0 H VAL A 81 10.329 -0.650 -7.582 1.00 0.00 H new ATOM 0 HA VAL A 81 12.764 -2.110 -6.786 1.00 0.00 H new ATOM 0 HB VAL A 81 11.236 0.005 -5.223 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.255 0.055 -3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.495 -1.553 -3.825 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.961 -1.257 -4.789 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.089 1.528 -5.787 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.786 0.279 -6.847 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.205 0.996 -7.237 1.00 0.00 H new ATOM 1229 N LEU A 82 11.495 -3.808 -5.508 1.00 0.00 N ATOM 1230 CA LEU A 82 10.792 -4.845 -4.762 1.00 0.00 C ATOM 1231 C LEU A 82 11.648 -5.356 -3.607 1.00 0.00 C ATOM 1232 O LEU A 82 12.716 -5.930 -3.819 1.00 0.00 O ATOM 1233 CB LEU A 82 10.430 -6.010 -5.691 1.00 0.00 C ATOM 1234 CG LEU A 82 8.930 -6.274 -5.858 1.00 0.00 C ATOM 1235 CD1 LEU A 82 8.290 -6.595 -4.515 1.00 0.00 C ATOM 1236 CD2 LEU A 82 8.247 -5.082 -6.510 1.00 0.00 C ATOM 0 H LEU A 82 12.405 -4.096 -5.868 1.00 0.00 H new ATOM 0 HA LEU A 82 9.879 -4.411 -4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.859 -5.816 -6.674 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.901 -6.916 -5.311 1.00 0.00 H new ATOM 0 HG LEU A 82 8.803 -7.138 -6.510 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.225 -6.779 -4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.760 -7.483 -4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.427 -5.753 -3.836 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.182 -5.288 -6.620 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.383 -4.199 -5.886 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.686 -4.904 -7.492 1.00 0.00 H new ATOM 1248 N ASP A 83 11.175 -5.137 -2.382 1.00 0.00 N ATOM 1249 CA ASP A 83 11.897 -5.574 -1.192 1.00 0.00 C ATOM 1250 C ASP A 83 10.927 -5.962 -0.083 1.00 0.00 C ATOM 1251 O ASP A 83 9.790 -5.495 -0.052 1.00 0.00 O ATOM 1252 CB ASP A 83 12.832 -4.465 -0.703 1.00 0.00 C ATOM 1253 CG ASP A 83 13.567 -4.843 0.567 1.00 0.00 C ATOM 1254 OD1 ASP A 83 13.032 -4.580 1.664 1.00 0.00 O ATOM 1255 OD2 ASP A 83 14.680 -5.402 0.465 1.00 0.00 O ATOM 0 H ASP A 83 10.295 -4.659 -2.189 1.00 0.00 H new ATOM 0 HA ASP A 83 12.490 -6.450 -1.456 1.00 0.00 H new ATOM 0 HB2 ASP A 83 13.557 -4.235 -1.484 1.00 0.00 H new ATOM 0 HB3 ASP A 83 12.254 -3.558 -0.528 1.00 0.00 H new ATOM 1260 N ILE A 84 11.377 -6.826 0.823 1.00 0.00 N ATOM 1261 CA ILE A 84 10.539 -7.271 1.931 1.00 0.00 C ATOM 1262 C ILE A 84 11.303 -7.259 3.252 1.00 0.00 C ATOM 1263 O ILE A 84 12.520 -7.076 3.279 1.00 0.00 O ATOM 1264 CB ILE A 84 9.979 -8.687 1.692 1.00 0.00 C ATOM 1265 CG1 ILE A 84 11.096 -9.728 1.774 1.00 0.00 C ATOM 1266 CG2 ILE A 84 9.270 -8.766 0.349 1.00 0.00 C ATOM 1267 CD1 ILE A 84 10.595 -11.146 1.940 1.00 0.00 C ATOM 0 H ILE A 84 12.313 -7.230 0.812 1.00 0.00 H new ATOM 0 HA ILE A 84 9.710 -6.566 1.988 1.00 0.00 H new ATOM 0 HB ILE A 84 9.251 -8.903 2.474 1.00 0.00 H new ATOM 0 HG12 ILE A 84 11.702 -9.670 0.870 1.00 0.00 H new ATOM 0 HG13 ILE A 84 11.749 -9.482 2.612 1.00 0.00 H new ATOM 0 HG21 ILE A 84 8.883 -9.774 0.201 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.445 -8.054 0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.974 -8.527 -0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 84 11.444 -11.828 1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 84 10.014 -11.221 2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 84 9.966 -11.412 1.090 1.00 0.00 H new ATOM 1279 N GLN A 85 10.571 -7.454 4.345 1.00 0.00 N ATOM 1280 CA GLN A 85 11.160 -7.482 5.678 1.00 0.00 C ATOM 1281 C GLN A 85 10.295 -8.301 6.631 1.00 0.00 C ATOM 1282 O GLN A 85 9.074 -8.342 6.489 1.00 0.00 O ATOM 1283 CB GLN A 85 11.325 -6.060 6.217 1.00 0.00 C ATOM 1284 CG GLN A 85 12.740 -5.739 6.669 1.00 0.00 C ATOM 1285 CD GLN A 85 13.034 -6.243 8.068 1.00 0.00 C ATOM 1286 OE1 GLN A 85 12.499 -5.730 9.051 1.00 0.00 O ATOM 1287 NE2 GLN A 85 13.888 -7.257 8.164 1.00 0.00 N ATOM 0 H GLN A 85 9.561 -7.596 4.332 1.00 0.00 H new ATOM 0 HA GLN A 85 12.142 -7.950 5.607 1.00 0.00 H new ATOM 0 HB2 GLN A 85 11.030 -5.351 5.443 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.644 -5.917 7.056 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.450 -6.182 5.971 1.00 0.00 H new ATOM 0 HG3 GLN A 85 12.892 -4.660 6.636 1.00 0.00 H new ATOM 0 HE21 GLN A 85 14.308 -7.652 7.322 1.00 0.00 H new ATOM 0 HE22 GLN A 85 14.123 -7.641 9.079 1.00 0.00 H new ATOM 1296 N GLN A 86 10.931 -8.948 7.602 1.00 0.00 N ATOM 1297 CA GLN A 86 10.209 -9.759 8.578 1.00 0.00 C ATOM 1298 C GLN A 86 10.591 -9.366 10.000 1.00 0.00 C ATOM 1299 O GLN A 86 11.718 -8.937 10.253 1.00 0.00 O ATOM 1300 CB GLN A 86 10.497 -11.245 8.354 1.00 0.00 C ATOM 1301 CG GLN A 86 11.958 -11.545 8.061 1.00 0.00 C ATOM 1302 CD GLN A 86 12.134 -12.710 7.108 1.00 0.00 C ATOM 1303 OE1 GLN A 86 12.458 -12.524 5.935 1.00 0.00 O ATOM 1304 NE2 GLN A 86 11.918 -13.922 7.608 1.00 0.00 N ATOM 0 H GLN A 86 11.942 -8.927 7.735 1.00 0.00 H new ATOM 0 HA GLN A 86 9.143 -9.579 8.443 1.00 0.00 H new ATOM 0 HB2 GLN A 86 10.191 -11.803 9.239 1.00 0.00 H new ATOM 0 HB3 GLN A 86 9.888 -11.603 7.524 1.00 0.00 H new ATOM 0 HG2 GLN A 86 12.429 -10.659 7.636 1.00 0.00 H new ATOM 0 HG3 GLN A 86 12.475 -11.764 8.996 1.00 0.00 H new ATOM 0 HE21 GLN A 86 11.651 -14.030 8.587 1.00 0.00 H new ATOM 0 HE22 GLN A 86 12.019 -14.744 7.013 1.00 0.00 H new ATOM 1313 N ASP A 87 9.647 -9.512 10.926 1.00 0.00 N ATOM 1314 CA ASP A 87 9.889 -9.170 12.322 1.00 0.00 C ATOM 1315 C ASP A 87 9.748 -10.398 13.214 1.00 0.00 C ATOM 1316 O ASP A 87 10.737 -11.046 13.555 1.00 0.00 O ATOM 1317 CB ASP A 87 8.916 -8.078 12.776 1.00 0.00 C ATOM 1318 CG ASP A 87 9.008 -6.830 11.920 1.00 0.00 C ATOM 1319 OD1 ASP A 87 8.611 -6.890 10.737 1.00 0.00 O ATOM 1320 OD2 ASP A 87 9.478 -5.792 12.433 1.00 0.00 O ATOM 0 H ASP A 87 8.709 -9.864 10.734 1.00 0.00 H new ATOM 0 HA ASP A 87 10.909 -8.797 12.409 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.898 -8.465 12.741 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.123 -7.819 13.814 1.00 0.00 H new ATOM 1325 N GLY A 88 8.511 -10.714 13.584 1.00 0.00 N ATOM 1326 CA GLY A 88 8.262 -11.866 14.429 1.00 0.00 C ATOM 1327 C GLY A 88 7.020 -12.632 14.013 1.00 0.00 C ATOM 1328 O GLY A 88 7.100 -13.542 13.188 1.00 0.00 O ATOM 0 H GLY A 88 7.677 -10.193 13.313 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.124 -12.532 14.394 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.154 -11.538 15.463 1.00 0.00 H new ATOM 1332 N PRO A 89 5.845 -12.280 14.566 1.00 0.00 N ATOM 1333 CA PRO A 89 4.590 -12.959 14.250 1.00 0.00 C ATOM 1334 C PRO A 89 3.947 -12.446 12.964 1.00 0.00 C ATOM 1335 O PRO A 89 2.854 -12.878 12.595 1.00 0.00 O ATOM 1336 CB PRO A 89 3.714 -12.624 15.454 1.00 0.00 C ATOM 1337 CG PRO A 89 4.181 -11.276 15.888 1.00 0.00 C ATOM 1338 CD PRO A 89 5.654 -11.212 15.570 1.00 0.00 C ATOM 0 HA PRO A 89 4.733 -14.026 14.080 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.658 -12.611 15.186 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.832 -13.361 16.249 1.00 0.00 H new ATOM 0 HG2 PRO A 89 3.636 -10.490 15.365 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.007 -11.130 16.954 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.936 -10.236 15.174 1.00 0.00 H new ATOM 0 HD3 PRO A 89 6.263 -11.384 16.458 1.00 0.00 H new ATOM 1346 N THR A 90 4.624 -11.524 12.285 1.00 0.00 N ATOM 1347 CA THR A 90 4.103 -10.959 11.044 1.00 0.00 C ATOM 1348 C THR A 90 5.230 -10.654 10.064 1.00 0.00 C ATOM 1349 O THR A 90 6.408 -10.799 10.390 1.00 0.00 O ATOM 1350 CB THR A 90 3.305 -9.684 11.331 1.00 0.00 C ATOM 1351 OG1 THR A 90 4.063 -8.786 12.123 1.00 0.00 O ATOM 1352 CG2 THR A 90 1.997 -9.940 12.048 1.00 0.00 C ATOM 0 H THR A 90 5.530 -11.154 12.571 1.00 0.00 H new ATOM 0 HA THR A 90 3.443 -11.699 10.591 1.00 0.00 H new ATOM 0 HB THR A 90 3.083 -9.258 10.353 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.537 -7.977 12.294 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.484 -8.993 12.219 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.368 -10.588 11.437 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.195 -10.423 13.005 1.00 0.00 H new ATOM 1360 N ILE A 91 4.855 -10.233 8.861 1.00 0.00 N ATOM 1361 CA ILE A 91 5.828 -9.902 7.828 1.00 0.00 C ATOM 1362 C ILE A 91 5.345 -8.723 6.984 1.00 0.00 C ATOM 1363 O ILE A 91 4.162 -8.620 6.663 1.00 0.00 O ATOM 1364 CB ILE A 91 6.111 -11.112 6.917 1.00 0.00 C ATOM 1365 CG1 ILE A 91 7.237 -10.781 5.933 1.00 0.00 C ATOM 1366 CG2 ILE A 91 4.847 -11.532 6.181 1.00 0.00 C ATOM 1367 CD1 ILE A 91 7.889 -12.000 5.319 1.00 0.00 C ATOM 0 H ILE A 91 3.883 -10.113 8.578 1.00 0.00 H new ATOM 0 HA ILE A 91 6.754 -9.623 8.331 1.00 0.00 H new ATOM 0 HB ILE A 91 6.433 -11.950 7.535 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.838 -10.154 5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.997 -10.195 6.449 1.00 0.00 H new ATOM 0 HG21 ILE A 91 5.065 -12.388 5.542 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.079 -11.806 6.904 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.490 -10.704 5.569 1.00 0.00 H new ATOM 0 HD11 ILE A 91 8.676 -11.685 4.634 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.319 -12.618 6.107 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.142 -12.576 4.773 1.00 0.00 H new ATOM 1379 N ARG A 92 6.268 -7.828 6.644 1.00 0.00 N ATOM 1380 CA ARG A 92 5.939 -6.636 5.885 1.00 0.00 C ATOM 1381 C ARG A 92 6.774 -6.541 4.609 1.00 0.00 C ATOM 1382 O ARG A 92 7.997 -6.662 4.649 1.00 0.00 O ATOM 1383 CB ARG A 92 6.179 -5.400 6.759 1.00 0.00 C ATOM 1384 CG ARG A 92 6.411 -4.123 5.971 1.00 0.00 C ATOM 1385 CD ARG A 92 5.169 -3.735 5.196 1.00 0.00 C ATOM 1386 NE ARG A 92 4.363 -2.746 5.909 1.00 0.00 N ATOM 1387 CZ ARG A 92 4.732 -1.480 6.081 1.00 0.00 C ATOM 1388 NH1 ARG A 92 5.888 -1.048 5.593 1.00 0.00 N ATOM 1389 NH2 ARG A 92 3.945 -0.641 6.742 1.00 0.00 N ATOM 0 H ARG A 92 7.255 -7.911 6.886 1.00 0.00 H new ATOM 0 HA ARG A 92 4.890 -6.689 5.594 1.00 0.00 H new ATOM 0 HB2 ARG A 92 5.320 -5.259 7.415 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.042 -5.582 7.399 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.688 -3.317 6.650 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.245 -4.261 5.284 1.00 0.00 H new ATOM 0 HD2 ARG A 92 5.459 -3.334 4.225 1.00 0.00 H new ATOM 0 HD3 ARG A 92 4.568 -4.624 5.007 1.00 0.00 H new ATOM 0 HE ARG A 92 3.467 -3.043 6.296 1.00 0.00 H new ATOM 0 HH11 ARG A 92 6.498 -1.688 5.084 1.00 0.00 H new ATOM 0 HH12 ARG A 92 6.167 -0.076 5.727 1.00 0.00 H new ATOM 0 HH21 ARG A 92 3.055 -0.967 7.119 1.00 0.00 H new ATOM 0 HH22 ARG A 92 4.230 0.330 6.873 1.00 0.00 H new ATOM 1403 N TYR A 93 6.112 -6.258 3.491 1.00 0.00 N ATOM 1404 CA TYR A 93 6.798 -6.071 2.218 1.00 0.00 C ATOM 1405 C TYR A 93 6.469 -4.696 1.657 1.00 0.00 C ATOM 1406 O TYR A 93 5.449 -4.105 2.010 1.00 0.00 O ATOM 1407 CB TYR A 93 6.400 -7.147 1.202 1.00 0.00 C ATOM 1408 CG TYR A 93 5.732 -8.364 1.798 1.00 0.00 C ATOM 1409 CD1 TYR A 93 6.473 -9.351 2.432 1.00 0.00 C ATOM 1410 CD2 TYR A 93 4.361 -8.545 1.687 1.00 0.00 C ATOM 1411 CE1 TYR A 93 5.861 -10.474 2.956 1.00 0.00 C ATOM 1412 CE2 TYR A 93 3.742 -9.661 2.212 1.00 0.00 C ATOM 1413 CZ TYR A 93 4.495 -10.621 2.847 1.00 0.00 C ATOM 1414 OH TYR A 93 3.882 -11.736 3.370 1.00 0.00 O ATOM 0 H TYR A 93 5.099 -6.153 3.442 1.00 0.00 H new ATOM 0 HA TYR A 93 7.870 -6.154 2.398 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.727 -6.703 0.468 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.292 -7.467 0.664 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.544 -9.240 2.517 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.767 -7.799 1.180 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.451 -11.233 3.449 1.00 0.00 H new ATOM 0 HE2 TYR A 93 2.672 -9.780 2.125 1.00 0.00 H new ATOM 0 HH TYR A 93 2.917 -11.684 3.209 1.00 0.00 H new ATOM 1424 N LEU A 94 7.339 -4.173 0.802 1.00 0.00 N ATOM 1425 CA LEU A 94 7.125 -2.847 0.234 1.00 0.00 C ATOM 1426 C LEU A 94 7.817 -2.682 -1.115 1.00 0.00 C ATOM 1427 O LEU A 94 8.909 -3.207 -1.337 1.00 0.00 O ATOM 1428 CB LEU A 94 7.633 -1.777 1.201 1.00 0.00 C ATOM 1429 CG LEU A 94 8.854 -2.186 2.029 1.00 0.00 C ATOM 1430 CD1 LEU A 94 9.834 -1.028 2.139 1.00 0.00 C ATOM 1431 CD2 LEU A 94 8.424 -2.659 3.409 1.00 0.00 C ATOM 0 H LEU A 94 8.190 -4.640 0.489 1.00 0.00 H new ATOM 0 HA LEU A 94 6.053 -2.731 0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.881 -0.881 0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.824 -1.508 1.881 1.00 0.00 H new ATOM 0 HG LEU A 94 9.356 -3.012 1.524 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.696 -1.336 2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.164 -0.735 1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.345 -0.182 2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.303 -2.946 3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.900 -1.853 3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.760 -3.517 3.309 1.00 0.00 H new ATOM 1443 N ILE A 95 7.179 -1.920 -2.002 1.00 0.00 N ATOM 1444 CA ILE A 95 7.738 -1.630 -3.318 1.00 0.00 C ATOM 1445 C ILE A 95 7.635 -0.135 -3.615 1.00 0.00 C ATOM 1446 O ILE A 95 6.768 0.550 -3.077 1.00 0.00 O ATOM 1447 CB ILE A 95 7.045 -2.449 -4.438 1.00 0.00 C ATOM 1448 CG1 ILE A 95 5.936 -1.637 -5.125 1.00 0.00 C ATOM 1449 CG2 ILE A 95 6.470 -3.737 -3.869 1.00 0.00 C ATOM 1450 CD1 ILE A 95 6.399 -0.900 -6.365 1.00 0.00 C ATOM 0 H ILE A 95 6.270 -1.491 -1.830 1.00 0.00 H new ATOM 0 HA ILE A 95 8.787 -1.924 -3.301 1.00 0.00 H new ATOM 0 HB ILE A 95 7.799 -2.691 -5.187 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.121 -2.308 -5.395 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.533 -0.916 -4.414 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.986 -4.303 -4.665 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.273 -4.334 -3.436 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.738 -3.499 -3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.562 -0.350 -6.795 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.193 -0.203 -6.099 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.775 -1.617 -7.095 1.00 0.00 H new ATOM 1462 N GLN A 96 8.536 0.370 -4.450 1.00 0.00 N ATOM 1463 CA GLN A 96 8.539 1.788 -4.794 1.00 0.00 C ATOM 1464 C GLN A 96 9.186 2.025 -6.155 1.00 0.00 C ATOM 1465 O GLN A 96 9.751 1.110 -6.753 1.00 0.00 O ATOM 1466 CB GLN A 96 9.288 2.583 -3.723 1.00 0.00 C ATOM 1467 CG GLN A 96 10.635 1.982 -3.354 1.00 0.00 C ATOM 1468 CD GLN A 96 11.772 2.979 -3.462 1.00 0.00 C ATOM 1469 OE1 GLN A 96 11.553 4.162 -3.729 1.00 0.00 O ATOM 1470 NE2 GLN A 96 12.995 2.506 -3.254 1.00 0.00 N ATOM 0 H GLN A 96 9.270 -0.177 -4.899 1.00 0.00 H new ATOM 0 HA GLN A 96 7.504 2.125 -4.844 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.439 3.603 -4.077 1.00 0.00 H new ATOM 0 HB3 GLN A 96 8.669 2.645 -2.828 1.00 0.00 H new ATOM 0 HG2 GLN A 96 10.590 1.598 -2.335 1.00 0.00 H new ATOM 0 HG3 GLN A 96 10.840 1.132 -4.006 1.00 0.00 H new ATOM 0 HE21 GLN A 96 13.130 1.519 -3.035 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.800 3.130 -3.313 1.00 0.00 H new ATOM 1479 N LYS A 97 9.152 3.275 -6.608 1.00 0.00 N ATOM 1480 CA LYS A 97 9.752 3.644 -7.886 1.00 0.00 C ATOM 1481 C LYS A 97 10.791 4.745 -7.698 1.00 0.00 C ATOM 1482 O LYS A 97 11.174 5.004 -6.538 1.00 0.00 O ATOM 1483 CB LYS A 97 8.677 4.120 -8.861 1.00 0.00 C ATOM 1484 CG LYS A 97 8.832 3.560 -10.262 1.00 0.00 C ATOM 1485 CD LYS A 97 8.782 4.660 -11.311 1.00 0.00 C ATOM 1486 CE LYS A 97 9.190 4.144 -12.680 1.00 0.00 C ATOM 1487 NZ LYS A 97 10.665 4.187 -12.875 1.00 0.00 N ATOM 1488 OXT LYS A 97 11.215 5.337 -8.713 1.00 0.00 O ATOM 0 H LYS A 97 8.715 4.050 -6.109 1.00 0.00 H new ATOM 0 HA LYS A 97 10.243 2.761 -8.294 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.698 3.839 -8.473 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.700 5.209 -8.910 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.779 3.026 -10.339 1.00 0.00 H new ATOM 0 HG3 LYS A 97 8.041 2.836 -10.455 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.773 5.070 -11.362 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.443 5.475 -11.017 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.838 3.120 -12.801 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.705 4.741 -13.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.901 3.826 -13.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.999 5.168 -12.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.128 3.597 -12.155 1.00 0.00 H new