USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 654 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 87 THR OG1 : rot 115:sc= -1.1! USER MOD Set 1.2: A 88 HIS : no HD1:sc= 0.753 K(o=-0.35,f=-6.6!) USER MOD Set 2.1: A 53 THR OG1 : rot 93:sc= 2.3 USER MOD Set 2.2: A 80 THR OG1 : rot 180:sc= 1.05 USER MOD Set 2.3: A 81 SER OG : rot 91:sc= 1.26 USER MOD Set 3.1: A 37 CYS SG : rot -100:sc= 2.11 USER MOD Set 3.2: A 42 CYS SG : rot 68:sc= 0.933 USER MOD Set 3.3: A 44 SER OG : rot 180:sc= 0.0511 USER MOD Set 3.4: A 45 CYS SG : rot -113:sc= 0.148 USER MOD Set 3.5: A 75 CYS SG : rot 180:sc= -2.51! USER MOD Set 4.1: A 4 THR OG1 : rot -61:sc= 0.493 USER MOD Set 4.2: A 13 THR OG1 : rot 180:sc= 0.456 USER MOD Set 5.1: A 7 THR OG1 : rot -99:sc= 2.19 USER MOD Set 5.2: A 9 SER OG : rot 31:sc= 0.718 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -178:sc= 0.303 (180deg=0.288) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -81:sc= -4.84! USER MOD Single : A 20 THR OG1 : rot 45:sc= 1.17 USER MOD Single : A 21 TYR OH : rot 150:sc= -0.0402 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 155:sc= 0.109 USER MOD Single : A 48 LYS NZ :NH3+ -149:sc= 1.15 (180deg=-2.54!) USER MOD Single : A 56 GLN : amide:sc= -5.51! C(o=-5.5!,f=-18!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -7.23! C(o=-7.2!,f=-16!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.285 K(o=-0.28,f=-3.3!) USER MOD Single : A 67 MET CE :methyl 173:sc=-0.00225 (180deg=-0.117) USER MOD Single : A 69 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 74 THR OG1 : rot 122:sc= 1.6 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -40:sc= -6.21! USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.343 USER MOD Single : A 86 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 89 GLN : amide:sc= -1.9 X(o=-1.9,f=-2) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -14.309 3.610 7.901 1.00 0.00 N ATOM 2 CA MET A 0 -13.165 3.495 7.008 1.00 0.00 C ATOM 3 C MET A 0 -12.572 4.854 6.687 1.00 0.00 C ATOM 4 O MET A 0 -13.100 5.894 7.086 1.00 0.00 O ATOM 5 CB MET A 0 -13.541 2.780 5.710 1.00 0.00 C ATOM 6 CG MET A 0 -14.993 2.904 5.333 1.00 0.00 C ATOM 7 SD MET A 0 -15.527 4.607 5.094 1.00 0.00 S ATOM 8 CE MET A 0 -17.273 4.355 4.808 1.00 0.00 C ATOM 0 H1 MET A 0 -14.669 2.661 8.127 1.00 0.00 H new ATOM 0 H2 MET A 0 -14.018 4.088 8.778 1.00 0.00 H new ATOM 0 H3 MET A 0 -15.058 4.163 7.437 1.00 0.00 H new ATOM 0 HA MET A 0 -12.415 2.902 7.531 1.00 0.00 H new ATOM 0 HB2 MET A 0 -12.932 3.179 4.899 1.00 0.00 H new ATOM 0 HB3 MET A 0 -13.291 1.723 5.805 1.00 0.00 H new ATOM 0 HG2 MET A 0 -15.172 2.343 4.416 1.00 0.00 H new ATOM 0 HG3 MET A 0 -15.603 2.446 6.111 1.00 0.00 H new ATOM 0 HE1 MET A 0 -17.757 5.317 4.641 1.00 0.00 H new ATOM 0 HE2 MET A 0 -17.410 3.723 3.931 1.00 0.00 H new ATOM 0 HE3 MET A 0 -17.718 3.871 5.678 1.00 0.00 H new ATOM 18 N TYR A 1 -11.462 4.827 5.973 1.00 0.00 N ATOM 19 CA TYR A 1 -10.767 6.035 5.582 1.00 0.00 C ATOM 20 C TYR A 1 -10.668 6.102 4.067 1.00 0.00 C ATOM 21 O TYR A 1 -10.586 5.068 3.399 1.00 0.00 O ATOM 22 CB TYR A 1 -9.365 6.054 6.186 1.00 0.00 C ATOM 23 CG TYR A 1 -9.335 5.937 7.698 1.00 0.00 C ATOM 24 CD1 TYR A 1 -9.440 4.701 8.336 1.00 0.00 C ATOM 25 CD2 TYR A 1 -9.193 7.069 8.487 1.00 0.00 C ATOM 26 CE1 TYR A 1 -9.400 4.609 9.716 1.00 0.00 C ATOM 27 CE2 TYR A 1 -9.155 6.982 9.864 1.00 0.00 C ATOM 28 CZ TYR A 1 -9.255 5.751 10.473 1.00 0.00 C ATOM 29 OH TYR A 1 -9.214 5.666 11.846 1.00 0.00 O ATOM 0 H TYR A 1 -11.019 3.967 5.649 1.00 0.00 H new ATOM 0 HA TYR A 1 -11.325 6.897 5.949 1.00 0.00 H new ATOM 0 HB2 TYR A 1 -8.787 5.235 5.758 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -8.869 6.980 5.895 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -9.554 3.804 7.745 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -9.111 8.037 8.015 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -9.482 3.646 10.198 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -9.047 7.875 10.461 1.00 0.00 H new ATOM 0 HH TYR A 1 -9.107 6.563 12.226 1.00 0.00 H new ATOM 39 N LYS A 2 -10.666 7.310 3.530 1.00 0.00 N ATOM 40 CA LYS A 2 -10.586 7.499 2.091 1.00 0.00 C ATOM 41 C LYS A 2 -9.142 7.577 1.646 1.00 0.00 C ATOM 42 O LYS A 2 -8.452 8.571 1.876 1.00 0.00 O ATOM 43 CB LYS A 2 -11.345 8.752 1.655 1.00 0.00 C ATOM 44 CG LYS A 2 -12.826 8.509 1.420 1.00 0.00 C ATOM 45 CD LYS A 2 -13.581 9.806 1.153 1.00 0.00 C ATOM 46 CE LYS A 2 -13.081 10.504 -0.103 1.00 0.00 C ATOM 47 NZ LYS A 2 -13.832 11.758 -0.383 1.00 0.00 N ATOM 0 H LYS A 2 -10.719 8.175 4.068 1.00 0.00 H new ATOM 0 HA LYS A 2 -11.054 6.638 1.614 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.227 9.523 2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.898 9.138 0.739 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.953 7.834 0.573 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.255 8.012 2.290 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.645 9.592 1.051 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.470 10.473 2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.021 10.734 0.008 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.174 9.829 -0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.459 12.201 -1.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.840 11.537 -0.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.723 12.414 0.417 1.00 0.00 H new ATOM 61 N VAL A 3 -8.692 6.510 1.026 1.00 0.00 N ATOM 62 CA VAL A 3 -7.341 6.427 0.534 1.00 0.00 C ATOM 63 C VAL A 3 -7.336 6.489 -0.987 1.00 0.00 C ATOM 64 O VAL A 3 -8.035 5.732 -1.662 1.00 0.00 O ATOM 65 CB VAL A 3 -6.632 5.148 1.060 1.00 0.00 C ATOM 66 CG1 VAL A 3 -7.606 4.272 1.827 1.00 0.00 C ATOM 67 CG2 VAL A 3 -5.962 4.350 -0.045 1.00 0.00 C ATOM 0 H VAL A 3 -9.254 5.677 0.850 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.777 7.281 0.910 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.843 5.484 1.733 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.090 3.382 2.187 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.005 4.828 2.676 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.424 3.976 1.170 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.483 3.468 0.382 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.710 4.040 -0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.211 4.968 -0.536 1.00 0.00 H new ATOM 77 N THR A 4 -6.586 7.432 -1.508 1.00 0.00 N ATOM 78 CA THR A 4 -6.428 7.588 -2.934 1.00 0.00 C ATOM 79 C THR A 4 -5.258 6.752 -3.401 1.00 0.00 C ATOM 80 O THR A 4 -4.107 7.110 -3.181 1.00 0.00 O ATOM 81 CB THR A 4 -6.171 9.058 -3.299 1.00 0.00 C ATOM 82 OG1 THR A 4 -7.248 9.879 -2.820 1.00 0.00 O ATOM 83 CG2 THR A 4 -6.020 9.232 -4.803 1.00 0.00 C ATOM 0 H THR A 4 -6.068 8.113 -0.954 1.00 0.00 H new ATOM 0 HA THR A 4 -7.346 7.261 -3.422 1.00 0.00 H new ATOM 0 HB THR A 4 -5.240 9.367 -2.824 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.087 9.594 -3.238 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.839 10.282 -5.031 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.180 8.634 -5.156 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.933 8.905 -5.301 1.00 0.00 H new ATOM 91 N LEU A 5 -5.534 5.637 -4.032 1.00 0.00 N ATOM 92 CA LEU A 5 -4.470 4.791 -4.482 1.00 0.00 C ATOM 93 C LEU A 5 -3.990 5.259 -5.823 1.00 0.00 C ATOM 94 O LEU A 5 -4.766 5.407 -6.765 1.00 0.00 O ATOM 95 CB LEU A 5 -4.888 3.331 -4.518 1.00 0.00 C ATOM 96 CG LEU A 5 -4.818 2.637 -3.161 1.00 0.00 C ATOM 97 CD1 LEU A 5 -6.159 2.041 -2.800 1.00 0.00 C ATOM 98 CD2 LEU A 5 -3.740 1.566 -3.161 1.00 0.00 C ATOM 0 H LEU A 5 -6.475 5.302 -4.241 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.647 4.859 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.907 3.264 -4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.250 2.797 -5.222 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.559 3.382 -2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.090 1.550 -1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.908 2.832 -2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.448 1.311 -3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.707 1.083 -2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.966 0.823 -3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.773 2.023 -3.373 1.00 0.00 H new ATOM 110 N LYS A 6 -2.703 5.489 -5.897 1.00 0.00 N ATOM 111 CA LYS A 6 -2.103 6.024 -7.067 1.00 0.00 C ATOM 112 C LYS A 6 -1.591 4.886 -7.921 1.00 0.00 C ATOM 113 O LYS A 6 -0.610 4.212 -7.587 1.00 0.00 O ATOM 114 CB LYS A 6 -0.957 6.920 -6.633 1.00 0.00 C ATOM 115 CG LYS A 6 -0.895 8.218 -7.369 1.00 0.00 C ATOM 116 CD LYS A 6 -1.947 9.178 -6.858 1.00 0.00 C ATOM 117 CE LYS A 6 -1.315 10.318 -6.089 1.00 0.00 C ATOM 118 NZ LYS A 6 -0.735 11.345 -6.993 1.00 0.00 N ATOM 0 H LYS A 6 -2.049 5.305 -5.136 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.821 6.601 -7.650 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.050 7.122 -5.566 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -0.017 6.387 -6.776 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.094 8.660 -7.252 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.042 8.044 -8.435 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.520 9.574 -7.696 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.648 8.646 -6.215 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.064 10.782 -5.447 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.534 9.927 -5.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.313 12.108 -6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.002 10.909 -7.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.484 11.738 -7.598 1.00 0.00 H new ATOM 132 N THR A 7 -2.292 4.655 -9.005 1.00 0.00 N ATOM 133 CA THR A 7 -1.938 3.604 -9.928 1.00 0.00 C ATOM 134 C THR A 7 -1.294 4.232 -11.153 1.00 0.00 C ATOM 135 O THR A 7 -1.527 5.404 -11.446 1.00 0.00 O ATOM 136 CB THR A 7 -3.175 2.773 -10.367 1.00 0.00 C ATOM 137 OG1 THR A 7 -3.861 3.431 -11.437 1.00 0.00 O ATOM 138 CG2 THR A 7 -4.145 2.562 -9.207 1.00 0.00 C ATOM 0 H THR A 7 -3.120 5.188 -9.271 1.00 0.00 H new ATOM 0 HA THR A 7 -1.248 2.926 -9.426 1.00 0.00 H new ATOM 0 HB THR A 7 -2.814 1.801 -10.702 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.631 3.920 -11.080 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.999 1.977 -9.549 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.639 2.029 -8.402 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.491 3.529 -8.841 1.00 0.00 H new ATOM 146 N PRO A 8 -0.472 3.465 -11.879 1.00 0.00 N ATOM 147 CA PRO A 8 0.161 3.931 -13.117 1.00 0.00 C ATOM 148 C PRO A 8 -0.858 4.208 -14.225 1.00 0.00 C ATOM 149 O PRO A 8 -0.498 4.649 -15.318 1.00 0.00 O ATOM 150 CB PRO A 8 1.083 2.782 -13.526 1.00 0.00 C ATOM 151 CG PRO A 8 1.155 1.863 -12.350 1.00 0.00 C ATOM 152 CD PRO A 8 -0.085 2.092 -11.540 1.00 0.00 C ATOM 0 HA PRO A 8 0.686 4.874 -12.961 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.693 2.263 -14.402 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.073 3.153 -13.791 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.217 0.824 -12.675 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.047 2.065 -11.756 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.869 1.380 -11.797 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.108 1.982 -10.473 1.00 0.00 H new ATOM 160 N SER A 9 -2.123 3.925 -13.940 1.00 0.00 N ATOM 161 CA SER A 9 -3.199 4.156 -14.882 1.00 0.00 C ATOM 162 C SER A 9 -4.174 5.216 -14.367 1.00 0.00 C ATOM 163 O SER A 9 -5.191 5.496 -15.002 1.00 0.00 O ATOM 164 CB SER A 9 -3.927 2.842 -15.133 1.00 0.00 C ATOM 165 OG SER A 9 -4.050 2.097 -13.932 1.00 0.00 O ATOM 0 H SER A 9 -2.426 3.530 -13.050 1.00 0.00 H new ATOM 0 HA SER A 9 -2.776 4.529 -15.815 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.916 3.042 -15.545 1.00 0.00 H new ATOM 0 HB3 SER A 9 -3.385 2.257 -15.875 1.00 0.00 H new ATOM 0 HG SER A 9 -4.121 2.711 -13.172 1.00 0.00 H new ATOM 171 N GLY A 10 -3.863 5.800 -13.218 1.00 0.00 N ATOM 172 CA GLY A 10 -4.731 6.814 -12.646 1.00 0.00 C ATOM 173 C GLY A 10 -5.166 6.487 -11.228 1.00 0.00 C ATOM 174 O GLY A 10 -5.533 5.351 -10.925 1.00 0.00 O ATOM 0 H GLY A 10 -3.027 5.591 -12.671 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.213 7.773 -12.650 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.614 6.926 -13.275 1.00 0.00 H new ATOM 178 N ASP A 11 -5.122 7.487 -10.361 1.00 0.00 N ATOM 179 CA ASP A 11 -5.513 7.333 -8.961 1.00 0.00 C ATOM 180 C ASP A 11 -7.001 7.060 -8.813 1.00 0.00 C ATOM 181 O ASP A 11 -7.800 7.355 -9.705 1.00 0.00 O ATOM 182 CB ASP A 11 -5.147 8.587 -8.167 1.00 0.00 C ATOM 183 CG ASP A 11 -5.897 9.823 -8.629 1.00 0.00 C ATOM 184 OD1 ASP A 11 -7.001 10.084 -8.114 1.00 0.00 O ATOM 185 OD2 ASP A 11 -5.377 10.546 -9.505 1.00 0.00 O ATOM 0 H ASP A 11 -4.815 8.429 -10.604 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.969 6.474 -8.568 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.356 8.415 -7.111 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.075 8.766 -8.254 1.00 0.00 H new ATOM 190 N LYS A 12 -7.352 6.471 -7.683 1.00 0.00 N ATOM 191 CA LYS A 12 -8.733 6.206 -7.337 1.00 0.00 C ATOM 192 C LYS A 12 -8.871 6.185 -5.824 1.00 0.00 C ATOM 193 O LYS A 12 -8.019 5.636 -5.127 1.00 0.00 O ATOM 194 CB LYS A 12 -9.160 4.860 -7.905 1.00 0.00 C ATOM 195 CG LYS A 12 -10.647 4.552 -7.769 1.00 0.00 C ATOM 196 CD LYS A 12 -11.481 5.356 -8.755 1.00 0.00 C ATOM 197 CE LYS A 12 -11.158 4.977 -10.193 1.00 0.00 C ATOM 198 NZ LYS A 12 -12.012 5.704 -11.166 1.00 0.00 N ATOM 0 H LYS A 12 -6.682 6.163 -6.978 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.368 6.986 -7.756 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.891 4.825 -8.961 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.593 4.074 -7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.815 3.488 -7.934 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.973 4.772 -6.752 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.540 5.186 -8.561 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.297 6.420 -8.607 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.110 5.194 -10.398 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.293 3.903 -10.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.759 5.416 -12.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.011 5.478 -10.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.865 6.728 -11.060 1.00 0.00 H new ATOM 212 N THR A 13 -9.930 6.779 -5.321 1.00 0.00 N ATOM 213 CA THR A 13 -10.166 6.817 -3.893 1.00 0.00 C ATOM 214 C THR A 13 -11.038 5.660 -3.455 1.00 0.00 C ATOM 215 O THR A 13 -12.126 5.433 -3.987 1.00 0.00 O ATOM 216 CB THR A 13 -10.817 8.140 -3.484 1.00 0.00 C ATOM 217 OG1 THR A 13 -9.969 9.233 -3.871 1.00 0.00 O ATOM 218 CG2 THR A 13 -11.065 8.187 -1.982 1.00 0.00 C ATOM 0 H THR A 13 -10.644 7.244 -5.881 1.00 0.00 H new ATOM 0 HA THR A 13 -9.199 6.732 -3.398 1.00 0.00 H new ATOM 0 HB THR A 13 -11.779 8.222 -3.991 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.387 10.080 -3.610 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.528 9.138 -1.719 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.727 7.370 -1.697 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.117 8.087 -1.453 1.00 0.00 H new ATOM 226 N ILE A 14 -10.524 4.922 -2.498 1.00 0.00 N ATOM 227 CA ILE A 14 -11.216 3.802 -1.929 1.00 0.00 C ATOM 228 C ILE A 14 -11.615 4.121 -0.493 1.00 0.00 C ATOM 229 O ILE A 14 -11.164 5.118 0.078 1.00 0.00 O ATOM 230 CB ILE A 14 -10.306 2.564 -1.916 1.00 0.00 C ATOM 231 CG1 ILE A 14 -9.150 2.775 -0.958 1.00 0.00 C ATOM 232 CG2 ILE A 14 -9.756 2.280 -3.290 1.00 0.00 C ATOM 233 CD1 ILE A 14 -8.606 1.493 -0.373 1.00 0.00 C ATOM 0 H ILE A 14 -9.603 5.089 -2.092 1.00 0.00 H new ATOM 0 HA ILE A 14 -12.101 3.601 -2.532 1.00 0.00 H new ATOM 0 HB ILE A 14 -10.907 1.714 -1.592 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -8.347 3.295 -1.480 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -9.476 3.425 -0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -9.116 1.399 -3.251 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -10.579 2.100 -3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -9.175 3.136 -3.633 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.782 1.722 0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -9.395 0.981 0.178 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -8.248 0.849 -1.177 1.00 0.00 H new ATOM 245 N GLU A 15 -12.442 3.272 0.089 1.00 0.00 N ATOM 246 CA GLU A 15 -12.779 3.382 1.498 1.00 0.00 C ATOM 247 C GLU A 15 -12.366 2.103 2.201 1.00 0.00 C ATOM 248 O GLU A 15 -13.078 1.101 2.156 1.00 0.00 O ATOM 249 CB GLU A 15 -14.279 3.624 1.679 1.00 0.00 C ATOM 250 CG GLU A 15 -14.785 4.871 0.973 1.00 0.00 C ATOM 251 CD GLU A 15 -16.264 5.109 1.194 1.00 0.00 C ATOM 252 OE1 GLU A 15 -17.076 4.233 0.831 1.00 0.00 O ATOM 253 OE2 GLU A 15 -16.625 6.178 1.730 1.00 0.00 O ATOM 0 H GLU A 15 -12.895 2.496 -0.394 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.248 4.230 1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.826 2.758 1.305 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.499 3.705 2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.225 5.736 1.327 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -14.591 4.782 -0.096 1.00 0.00 H new ATOM 260 N CYS A 16 -11.213 2.126 2.847 1.00 0.00 N ATOM 261 CA CYS A 16 -10.708 0.934 3.491 1.00 0.00 C ATOM 262 C CYS A 16 -10.879 1.027 4.998 1.00 0.00 C ATOM 263 O CYS A 16 -10.377 1.956 5.634 1.00 0.00 O ATOM 264 CB CYS A 16 -9.247 0.707 3.136 1.00 0.00 C ATOM 265 SG CYS A 16 -8.860 -1.029 2.854 1.00 0.00 S ATOM 0 H CYS A 16 -10.617 2.949 2.937 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.285 0.083 3.129 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -9.002 1.279 2.241 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.619 1.089 3.941 1.00 0.00 H new ATOM 0 HG CYS A 16 -8.686 -1.626 3.996 1.00 0.00 H new ATOM 271 N PRO A 17 -11.642 0.086 5.574 1.00 0.00 N ATOM 272 CA PRO A 17 -11.896 0.026 7.017 1.00 0.00 C ATOM 273 C PRO A 17 -10.628 -0.132 7.847 1.00 0.00 C ATOM 274 O PRO A 17 -9.593 -0.585 7.356 1.00 0.00 O ATOM 275 CB PRO A 17 -12.765 -1.223 7.177 1.00 0.00 C ATOM 276 CG PRO A 17 -13.376 -1.441 5.842 1.00 0.00 C ATOM 277 CD PRO A 17 -12.351 -0.984 4.850 1.00 0.00 C ATOM 0 HA PRO A 17 -12.356 0.950 7.369 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.168 -2.082 7.483 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -13.528 -1.077 7.941 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.626 -2.491 5.692 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.302 -0.875 5.738 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -11.678 -1.792 4.564 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.812 -0.614 3.934 1.00 0.00 H new ATOM 285 N ALA A 18 -10.748 0.199 9.125 1.00 0.00 N ATOM 286 CA ALA A 18 -9.636 0.145 10.069 1.00 0.00 C ATOM 287 C ALA A 18 -9.312 -1.290 10.482 1.00 0.00 C ATOM 288 O ALA A 18 -8.559 -1.518 11.427 1.00 0.00 O ATOM 289 CB ALA A 18 -9.949 0.990 11.294 1.00 0.00 C ATOM 0 H ALA A 18 -11.624 0.515 9.541 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.756 0.549 9.569 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.113 0.943 11.992 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.111 2.024 10.991 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -10.848 0.609 11.779 1.00 0.00 H new ATOM 295 N ASP A 19 -9.920 -2.252 9.802 1.00 0.00 N ATOM 296 CA ASP A 19 -9.678 -3.665 10.077 1.00 0.00 C ATOM 297 C ASP A 19 -9.411 -4.436 8.791 1.00 0.00 C ATOM 298 O ASP A 19 -8.993 -5.593 8.826 1.00 0.00 O ATOM 299 CB ASP A 19 -10.875 -4.294 10.792 1.00 0.00 C ATOM 300 CG ASP A 19 -12.130 -4.303 9.936 1.00 0.00 C ATOM 301 OD1 ASP A 19 -12.260 -5.188 9.062 1.00 0.00 O ATOM 302 OD2 ASP A 19 -12.989 -3.420 10.133 1.00 0.00 O ATOM 0 H ASP A 19 -10.589 -2.080 9.051 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.799 -3.722 10.720 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.627 -5.316 11.077 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -11.072 -3.746 11.713 1.00 0.00 H new ATOM 307 N THR A 20 -9.643 -3.792 7.661 1.00 0.00 N ATOM 308 CA THR A 20 -9.583 -4.462 6.379 1.00 0.00 C ATOM 309 C THR A 20 -8.486 -3.868 5.507 1.00 0.00 C ATOM 310 O THR A 20 -8.458 -2.664 5.271 1.00 0.00 O ATOM 311 CB THR A 20 -10.944 -4.362 5.666 1.00 0.00 C ATOM 312 OG1 THR A 20 -11.919 -5.153 6.359 1.00 0.00 O ATOM 313 CG2 THR A 20 -10.848 -4.811 4.218 1.00 0.00 C ATOM 0 H THR A 20 -9.876 -2.800 7.608 1.00 0.00 H new ATOM 0 HA THR A 20 -9.349 -5.513 6.551 1.00 0.00 H new ATOM 0 HB THR A 20 -11.250 -3.316 5.674 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.844 -4.994 7.323 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.827 -4.727 3.745 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.134 -4.180 3.688 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.514 -5.848 4.180 1.00 0.00 H new ATOM 321 N TYR A 21 -7.617 -4.735 5.006 1.00 0.00 N ATOM 322 CA TYR A 21 -6.413 -4.318 4.297 1.00 0.00 C ATOM 323 C TYR A 21 -6.744 -3.638 2.970 1.00 0.00 C ATOM 324 O TYR A 21 -7.698 -4.016 2.286 1.00 0.00 O ATOM 325 CB TYR A 21 -5.476 -5.518 4.088 1.00 0.00 C ATOM 326 CG TYR A 21 -6.131 -6.746 3.480 1.00 0.00 C ATOM 327 CD1 TYR A 21 -6.978 -7.557 4.228 1.00 0.00 C ATOM 328 CD2 TYR A 21 -5.891 -7.098 2.163 1.00 0.00 C ATOM 329 CE1 TYR A 21 -7.568 -8.677 3.678 1.00 0.00 C ATOM 330 CE2 TYR A 21 -6.476 -8.220 1.606 1.00 0.00 C ATOM 331 CZ TYR A 21 -7.312 -9.005 2.367 1.00 0.00 C ATOM 332 OH TYR A 21 -7.894 -10.124 1.814 1.00 0.00 O ATOM 0 H TYR A 21 -7.726 -5.747 5.079 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.899 -3.580 4.913 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.652 -5.209 3.445 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.044 -5.794 5.050 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.178 -7.305 5.259 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.236 -6.486 1.561 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.227 -9.292 4.273 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.278 -8.480 0.577 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.028 -9.982 0.854 1.00 0.00 H new ATOM 342 N ILE A 22 -5.920 -2.641 2.626 1.00 0.00 N ATOM 343 CA ILE A 22 -6.174 -1.711 1.522 1.00 0.00 C ATOM 344 C ILE A 22 -6.647 -2.404 0.257 1.00 0.00 C ATOM 345 O ILE A 22 -7.627 -1.971 -0.327 1.00 0.00 O ATOM 346 CB ILE A 22 -4.918 -0.871 1.190 1.00 0.00 C ATOM 347 CG1 ILE A 22 -4.480 -0.092 2.438 1.00 0.00 C ATOM 348 CG2 ILE A 22 -5.223 0.079 0.034 1.00 0.00 C ATOM 349 CD1 ILE A 22 -3.147 0.626 2.342 1.00 0.00 C ATOM 0 H ILE A 22 -5.044 -2.456 3.115 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.975 -1.060 1.872 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.104 -1.529 0.887 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.250 0.643 2.671 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.437 -0.785 3.278 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.336 0.669 -0.196 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.513 -0.498 -0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.038 0.745 0.316 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.943 1.141 3.281 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.357 -0.099 2.146 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.183 1.352 1.530 1.00 0.00 H new ATOM 361 N LEU A 23 -5.982 -3.484 -0.157 1.00 0.00 N ATOM 362 CA LEU A 23 -6.255 -4.055 -1.475 1.00 0.00 C ATOM 363 C LEU A 23 -7.706 -4.489 -1.623 1.00 0.00 C ATOM 364 O LEU A 23 -8.216 -4.496 -2.729 1.00 0.00 O ATOM 365 CB LEU A 23 -5.307 -5.210 -1.843 1.00 0.00 C ATOM 366 CG LEU A 23 -5.553 -6.560 -1.168 1.00 0.00 C ATOM 367 CD1 LEU A 23 -6.566 -7.391 -1.949 1.00 0.00 C ATOM 368 CD2 LEU A 23 -4.246 -7.314 -1.033 1.00 0.00 C ATOM 0 H LEU A 23 -5.268 -3.970 0.386 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.066 -3.247 -2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.358 -5.358 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.289 -4.898 -1.612 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.966 -6.377 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.720 -8.345 -1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.512 -6.853 -2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.190 -7.570 -2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.428 -8.275 -0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.817 -7.479 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.551 -6.731 -0.429 1.00 0.00 H new ATOM 380 N ASP A 24 -8.374 -4.826 -0.522 1.00 0.00 N ATOM 381 CA ASP A 24 -9.778 -5.247 -0.591 1.00 0.00 C ATOM 382 C ASP A 24 -10.638 -4.113 -1.137 1.00 0.00 C ATOM 383 O ASP A 24 -11.412 -4.283 -2.082 1.00 0.00 O ATOM 384 CB ASP A 24 -10.281 -5.655 0.793 1.00 0.00 C ATOM 385 CG ASP A 24 -11.664 -6.278 0.755 1.00 0.00 C ATOM 386 OD1 ASP A 24 -12.662 -5.526 0.686 1.00 0.00 O ATOM 387 OD2 ASP A 24 -11.759 -7.521 0.799 1.00 0.00 O ATOM 0 H ASP A 24 -7.976 -4.818 0.417 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.849 -6.105 -1.259 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.580 -6.363 1.235 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.300 -4.779 1.441 1.00 0.00 H new ATOM 392 N ALA A 25 -10.486 -2.953 -0.533 1.00 0.00 N ATOM 393 CA ALA A 25 -11.166 -1.754 -0.988 1.00 0.00 C ATOM 394 C ALA A 25 -10.528 -1.236 -2.271 1.00 0.00 C ATOM 395 O ALA A 25 -11.191 -0.633 -3.112 1.00 0.00 O ATOM 396 CB ALA A 25 -11.129 -0.707 0.103 1.00 0.00 C ATOM 0 H ALA A 25 -9.891 -2.813 0.284 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.207 -1.989 -1.208 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.640 0.193 -0.239 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.628 -1.091 0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.093 -0.468 0.342 1.00 0.00 H new ATOM 402 N ALA A 26 -9.234 -1.484 -2.406 1.00 0.00 N ATOM 403 CA ALA A 26 -8.476 -1.075 -3.575 1.00 0.00 C ATOM 404 C ALA A 26 -9.056 -1.695 -4.844 1.00 0.00 C ATOM 405 O ALA A 26 -9.358 -0.996 -5.812 1.00 0.00 O ATOM 406 CB ALA A 26 -7.023 -1.468 -3.423 1.00 0.00 C ATOM 0 H ALA A 26 -8.680 -1.976 -1.705 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.543 0.010 -3.660 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.467 -1.155 -4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.605 -0.983 -2.541 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.948 -2.550 -3.312 1.00 0.00 H new ATOM 412 N GLU A 27 -9.229 -3.017 -4.825 1.00 0.00 N ATOM 413 CA GLU A 27 -9.786 -3.732 -5.955 1.00 0.00 C ATOM 414 C GLU A 27 -11.244 -3.344 -6.149 1.00 0.00 C ATOM 415 O GLU A 27 -11.739 -3.297 -7.276 1.00 0.00 O ATOM 416 CB GLU A 27 -9.656 -5.242 -5.753 1.00 0.00 C ATOM 417 CG GLU A 27 -10.138 -5.730 -4.396 1.00 0.00 C ATOM 418 CD GLU A 27 -10.470 -7.208 -4.375 1.00 0.00 C ATOM 419 OE1 GLU A 27 -11.337 -7.638 -5.166 1.00 0.00 O ATOM 420 OE2 GLU A 27 -9.868 -7.949 -3.572 1.00 0.00 O ATOM 0 H GLU A 27 -8.987 -3.610 -4.031 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.228 -3.459 -6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.222 -5.752 -6.533 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.611 -5.526 -5.879 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.369 -5.527 -3.650 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.022 -5.162 -4.106 1.00 0.00 H new ATOM 427 N GLU A 28 -11.915 -3.053 -5.038 1.00 0.00 N ATOM 428 CA GLU A 28 -13.288 -2.567 -5.067 1.00 0.00 C ATOM 429 C GLU A 28 -13.393 -1.306 -5.918 1.00 0.00 C ATOM 430 O GLU A 28 -14.315 -1.150 -6.719 1.00 0.00 O ATOM 431 CB GLU A 28 -13.762 -2.265 -3.645 1.00 0.00 C ATOM 432 CG GLU A 28 -14.986 -3.059 -3.218 1.00 0.00 C ATOM 433 CD GLU A 28 -16.124 -2.976 -4.213 1.00 0.00 C ATOM 434 OE1 GLU A 28 -16.846 -1.957 -4.217 1.00 0.00 O ATOM 435 OE2 GLU A 28 -16.300 -3.931 -4.996 1.00 0.00 O ATOM 0 H GLU A 28 -11.525 -3.147 -4.100 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.919 -3.340 -5.506 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.948 -2.471 -2.950 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.986 -1.201 -3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -14.705 -4.103 -3.082 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -15.330 -2.693 -2.250 1.00 0.00 H new ATOM 442 N ALA A 29 -12.427 -0.422 -5.738 1.00 0.00 N ATOM 443 CA ALA A 29 -12.395 0.856 -6.445 1.00 0.00 C ATOM 444 C ALA A 29 -12.158 0.680 -7.940 1.00 0.00 C ATOM 445 O ALA A 29 -12.579 1.513 -8.744 1.00 0.00 O ATOM 446 CB ALA A 29 -11.328 1.726 -5.845 1.00 0.00 C ATOM 0 H ALA A 29 -11.643 -0.565 -5.101 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.370 1.331 -6.332 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.300 2.681 -6.369 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -11.548 1.897 -4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.361 1.232 -5.939 1.00 0.00 H new ATOM 452 N GLY A 30 -11.488 -0.400 -8.314 1.00 0.00 N ATOM 453 CA GLY A 30 -11.308 -0.693 -9.720 1.00 0.00 C ATOM 454 C GLY A 30 -9.863 -0.653 -10.160 1.00 0.00 C ATOM 455 O GLY A 30 -9.581 -0.542 -11.352 1.00 0.00 O ATOM 0 H GLY A 30 -11.069 -1.074 -7.674 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.718 -1.680 -9.933 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.880 0.024 -10.309 1.00 0.00 H new ATOM 459 N LEU A 31 -8.945 -0.738 -9.211 1.00 0.00 N ATOM 460 CA LEU A 31 -7.524 -0.672 -9.530 1.00 0.00 C ATOM 461 C LEU A 31 -7.059 -1.940 -10.224 1.00 0.00 C ATOM 462 O LEU A 31 -7.689 -2.991 -10.114 1.00 0.00 O ATOM 463 CB LEU A 31 -6.692 -0.495 -8.268 1.00 0.00 C ATOM 464 CG LEU A 31 -7.233 0.487 -7.243 1.00 0.00 C ATOM 465 CD1 LEU A 31 -6.178 0.752 -6.199 1.00 0.00 C ATOM 466 CD2 LEU A 31 -7.686 1.782 -7.892 1.00 0.00 C ATOM 0 H LEU A 31 -9.154 -0.852 -8.219 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.388 0.183 -10.192 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.585 -1.468 -7.788 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.692 -0.172 -8.559 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.109 0.044 -6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.564 1.457 -5.462 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.913 -0.182 -5.704 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.293 1.174 -6.675 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.066 2.459 -7.127 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.843 2.248 -8.402 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.475 1.571 -8.614 1.00 0.00 H new ATOM 478 N ASP A 32 -5.941 -1.833 -10.922 1.00 0.00 N ATOM 479 CA ASP A 32 -5.283 -2.965 -11.517 1.00 0.00 C ATOM 480 C ASP A 32 -4.236 -3.509 -10.558 1.00 0.00 C ATOM 481 O ASP A 32 -3.213 -4.062 -10.965 1.00 0.00 O ATOM 482 CB ASP A 32 -4.630 -2.524 -12.823 1.00 0.00 C ATOM 483 CG ASP A 32 -3.436 -1.609 -12.608 1.00 0.00 C ATOM 484 OD1 ASP A 32 -3.577 -0.590 -11.897 1.00 0.00 O ATOM 485 OD2 ASP A 32 -2.352 -1.902 -13.157 1.00 0.00 O ATOM 0 H ASP A 32 -5.467 -0.946 -11.088 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.007 -3.754 -11.724 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.310 -3.405 -13.379 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.369 -2.010 -13.437 1.00 0.00 H new ATOM 490 N LEU A 33 -4.514 -3.346 -9.276 1.00 0.00 N ATOM 491 CA LEU A 33 -3.581 -3.714 -8.228 1.00 0.00 C ATOM 492 C LEU A 33 -3.455 -5.231 -8.150 1.00 0.00 C ATOM 493 O LEU A 33 -4.448 -5.929 -7.945 1.00 0.00 O ATOM 494 CB LEU A 33 -4.065 -3.141 -6.893 1.00 0.00 C ATOM 495 CG LEU A 33 -2.976 -2.816 -5.865 1.00 0.00 C ATOM 496 CD1 LEU A 33 -3.563 -1.971 -4.754 1.00 0.00 C ATOM 497 CD2 LEU A 33 -2.357 -4.082 -5.288 1.00 0.00 C ATOM 0 H LEU A 33 -5.392 -2.955 -8.934 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.597 -3.302 -8.453 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.629 -2.230 -7.095 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.758 -3.853 -6.445 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.185 -2.261 -6.370 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.787 -1.741 -4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.956 -1.044 -5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.369 -2.520 -4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.589 -3.814 -4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.130 -4.673 -4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.909 -4.667 -6.091 1.00 0.00 H new ATOM 509 N PRO A 34 -2.235 -5.752 -8.338 1.00 0.00 N ATOM 510 CA PRO A 34 -1.963 -7.192 -8.284 1.00 0.00 C ATOM 511 C PRO A 34 -2.246 -7.789 -6.911 1.00 0.00 C ATOM 512 O PRO A 34 -1.947 -7.183 -5.882 1.00 0.00 O ATOM 513 CB PRO A 34 -0.468 -7.288 -8.602 1.00 0.00 C ATOM 514 CG PRO A 34 0.075 -5.943 -8.269 1.00 0.00 C ATOM 515 CD PRO A 34 -1.014 -4.979 -8.620 1.00 0.00 C ATOM 0 HA PRO A 34 -2.599 -7.746 -8.974 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.014 -8.067 -8.011 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.301 -7.534 -9.651 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.335 -5.875 -7.213 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.983 -5.734 -8.835 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.961 -4.072 -8.018 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.962 -4.672 -9.665 1.00 0.00 H new ATOM 523 N TYR A 35 -2.820 -8.979 -6.903 1.00 0.00 N ATOM 524 CA TYR A 35 -3.125 -9.673 -5.665 1.00 0.00 C ATOM 525 C TYR A 35 -2.898 -11.167 -5.841 1.00 0.00 C ATOM 526 O TYR A 35 -3.181 -11.723 -6.904 1.00 0.00 O ATOM 527 CB TYR A 35 -4.576 -9.397 -5.237 1.00 0.00 C ATOM 528 CG TYR A 35 -5.604 -9.683 -6.315 1.00 0.00 C ATOM 529 CD1 TYR A 35 -6.174 -10.944 -6.448 1.00 0.00 C ATOM 530 CD2 TYR A 35 -5.998 -8.690 -7.204 1.00 0.00 C ATOM 531 CE1 TYR A 35 -7.103 -11.206 -7.437 1.00 0.00 C ATOM 532 CE2 TYR A 35 -6.928 -8.945 -8.192 1.00 0.00 C ATOM 533 CZ TYR A 35 -7.476 -10.203 -8.305 1.00 0.00 C ATOM 534 OH TYR A 35 -8.397 -10.461 -9.295 1.00 0.00 O ATOM 0 H TYR A 35 -3.086 -9.488 -7.746 1.00 0.00 H new ATOM 0 HA TYR A 35 -2.462 -9.305 -4.882 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.806 -10.002 -4.360 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.662 -8.353 -4.935 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.886 -11.732 -5.767 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.569 -7.702 -7.121 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.534 -12.192 -7.529 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.224 -8.161 -8.873 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.550 -9.647 -9.819 1.00 0.00 H new ATOM 544 N SER A 36 -2.377 -11.812 -4.811 1.00 0.00 N ATOM 545 CA SER A 36 -2.162 -13.248 -4.855 1.00 0.00 C ATOM 546 C SER A 36 -2.650 -13.906 -3.567 1.00 0.00 C ATOM 547 O SER A 36 -3.729 -14.498 -3.540 1.00 0.00 O ATOM 548 CB SER A 36 -0.684 -13.560 -5.101 1.00 0.00 C ATOM 549 OG SER A 36 -0.227 -12.940 -6.292 1.00 0.00 O ATOM 0 H SER A 36 -2.096 -11.366 -3.938 1.00 0.00 H new ATOM 0 HA SER A 36 -2.740 -13.658 -5.683 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.090 -13.214 -4.255 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.543 -14.639 -5.170 1.00 0.00 H new ATOM 0 HG SER A 36 0.720 -13.152 -6.428 1.00 0.00 H new ATOM 555 N CYS A 37 -1.878 -13.779 -2.494 1.00 0.00 N ATOM 556 CA CYS A 37 -2.248 -14.385 -1.224 1.00 0.00 C ATOM 557 C CYS A 37 -3.260 -13.517 -0.488 1.00 0.00 C ATOM 558 O CYS A 37 -4.195 -14.021 0.132 1.00 0.00 O ATOM 559 CB CYS A 37 -1.011 -14.583 -0.344 1.00 0.00 C ATOM 560 SG CYS A 37 -0.228 -13.035 0.177 1.00 0.00 S ATOM 0 H CYS A 37 -0.997 -13.265 -2.479 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.698 -15.355 -1.434 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.294 -15.152 0.542 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.282 -15.183 -0.888 1.00 0.00 H new ATOM 0 HG CYS A 37 0.805 -12.797 -0.575 1.00 0.00 H new ATOM 565 N ARG A 38 -3.046 -12.199 -0.573 1.00 0.00 N ATOM 566 CA ARG A 38 -3.858 -11.204 0.126 1.00 0.00 C ATOM 567 C ARG A 38 -3.634 -11.293 1.632 1.00 0.00 C ATOM 568 O ARG A 38 -4.379 -10.708 2.415 1.00 0.00 O ATOM 569 CB ARG A 38 -5.350 -11.360 -0.195 1.00 0.00 C ATOM 570 CG ARG A 38 -5.689 -11.225 -1.671 1.00 0.00 C ATOM 571 CD ARG A 38 -7.193 -11.260 -1.896 1.00 0.00 C ATOM 572 NE ARG A 38 -7.812 -12.441 -1.293 1.00 0.00 N ATOM 573 CZ ARG A 38 -9.125 -12.589 -1.115 1.00 0.00 C ATOM 574 NH1 ARG A 38 -9.972 -11.654 -1.534 1.00 0.00 N ATOM 575 NH2 ARG A 38 -9.591 -13.682 -0.523 1.00 0.00 N ATOM 0 H ARG A 38 -2.297 -11.793 -1.134 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.542 -10.222 -0.225 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.685 -12.336 0.155 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.910 -10.611 0.365 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.283 -10.290 -2.056 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.216 -12.032 -2.231 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.643 -10.361 -1.476 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.399 -11.249 -2.966 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.200 -13.199 -0.990 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.619 -10.816 -1.996 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.975 -11.775 -1.394 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.945 -14.405 -0.206 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.595 -13.799 -0.385 1.00 0.00 H new ATOM 589 N ALA A 39 -2.590 -12.014 2.029 1.00 0.00 N ATOM 590 CA ALA A 39 -2.300 -12.231 3.438 1.00 0.00 C ATOM 591 C ALA A 39 -0.903 -11.742 3.800 1.00 0.00 C ATOM 592 O ALA A 39 -0.582 -11.569 4.974 1.00 0.00 O ATOM 593 CB ALA A 39 -2.450 -13.704 3.789 1.00 0.00 C ATOM 0 H ALA A 39 -1.930 -12.458 1.391 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.019 -11.653 4.019 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.230 -13.850 4.846 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.471 -14.025 3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.757 -14.293 3.189 1.00 0.00 H new ATOM 599 N GLY A 40 -0.074 -11.527 2.788 1.00 0.00 N ATOM 600 CA GLY A 40 1.259 -11.015 3.025 1.00 0.00 C ATOM 601 C GLY A 40 2.317 -12.090 2.946 1.00 0.00 C ATOM 602 O GLY A 40 3.212 -12.153 3.789 1.00 0.00 O ATOM 0 H GLY A 40 -0.301 -11.698 1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.481 -10.238 2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.295 -10.547 4.009 1.00 0.00 H new ATOM 606 N ALA A 41 2.217 -12.941 1.939 1.00 0.00 N ATOM 607 CA ALA A 41 3.196 -13.998 1.734 1.00 0.00 C ATOM 608 C ALA A 41 4.328 -13.514 0.836 1.00 0.00 C ATOM 609 O ALA A 41 5.335 -14.202 0.658 1.00 0.00 O ATOM 610 CB ALA A 41 2.530 -15.225 1.135 1.00 0.00 C ATOM 0 H ALA A 41 1.466 -12.921 1.249 1.00 0.00 H new ATOM 0 HA ALA A 41 3.619 -14.269 2.701 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.274 -16.007 0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.755 -15.585 1.811 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.082 -14.964 0.176 1.00 0.00 H new ATOM 616 N CYS A 42 4.154 -12.328 0.277 1.00 0.00 N ATOM 617 CA CYS A 42 5.146 -11.734 -0.600 1.00 0.00 C ATOM 618 C CYS A 42 5.196 -10.220 -0.390 1.00 0.00 C ATOM 619 O CYS A 42 4.479 -9.679 0.452 1.00 0.00 O ATOM 620 CB CYS A 42 4.810 -12.071 -2.055 1.00 0.00 C ATOM 621 SG CYS A 42 3.124 -11.632 -2.554 1.00 0.00 S ATOM 0 H CYS A 42 3.324 -11.753 0.418 1.00 0.00 H new ATOM 0 HA CYS A 42 6.129 -12.141 -0.364 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.515 -11.555 -2.707 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.955 -13.140 -2.211 1.00 0.00 H new ATOM 0 HG CYS A 42 2.998 -10.338 -2.565 1.00 0.00 H new ATOM 626 N SER A 43 6.062 -9.543 -1.134 1.00 0.00 N ATOM 627 CA SER A 43 6.183 -8.096 -1.036 1.00 0.00 C ATOM 628 C SER A 43 6.203 -7.458 -2.424 1.00 0.00 C ATOM 629 O SER A 43 6.493 -6.269 -2.571 1.00 0.00 O ATOM 630 CB SER A 43 7.445 -7.724 -0.258 1.00 0.00 C ATOM 631 OG SER A 43 7.408 -8.261 1.054 1.00 0.00 O ATOM 0 H SER A 43 6.691 -9.974 -1.812 1.00 0.00 H new ATOM 0 HA SER A 43 5.315 -7.713 -0.500 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.324 -8.097 -0.783 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.540 -6.639 -0.209 1.00 0.00 H new ATOM 0 HG SER A 43 8.323 -8.370 1.389 1.00 0.00 H new ATOM 637 N SER A 44 5.865 -8.249 -3.437 1.00 0.00 N ATOM 638 CA SER A 44 5.815 -7.772 -4.816 1.00 0.00 C ATOM 639 C SER A 44 4.517 -7.010 -5.079 1.00 0.00 C ATOM 640 O SER A 44 4.235 -6.581 -6.199 1.00 0.00 O ATOM 641 CB SER A 44 5.946 -8.959 -5.774 1.00 0.00 C ATOM 642 OG SER A 44 5.144 -10.052 -5.346 1.00 0.00 O ATOM 0 H SER A 44 5.619 -9.233 -3.327 1.00 0.00 H new ATOM 0 HA SER A 44 6.645 -7.086 -4.983 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.647 -8.655 -6.777 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.989 -9.270 -5.832 1.00 0.00 H new ATOM 0 HG SER A 44 5.244 -10.797 -5.975 1.00 0.00 H new ATOM 648 N CYS A 45 3.733 -6.864 -4.029 1.00 0.00 N ATOM 649 CA CYS A 45 2.439 -6.214 -4.092 1.00 0.00 C ATOM 650 C CYS A 45 2.335 -5.129 -3.027 1.00 0.00 C ATOM 651 O CYS A 45 1.249 -4.637 -2.725 1.00 0.00 O ATOM 652 CB CYS A 45 1.385 -7.284 -3.862 1.00 0.00 C ATOM 653 SG CYS A 45 2.077 -8.715 -2.999 1.00 0.00 S ATOM 0 H CYS A 45 3.980 -7.197 -3.097 1.00 0.00 H new ATOM 0 HA CYS A 45 2.297 -5.736 -5.061 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.563 -6.868 -3.279 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.970 -7.600 -4.819 1.00 0.00 H new ATOM 0 HG CYS A 45 2.067 -9.746 -3.791 1.00 0.00 H new ATOM 658 N ALA A 46 3.475 -4.759 -2.455 1.00 0.00 N ATOM 659 CA ALA A 46 3.495 -3.817 -1.348 1.00 0.00 C ATOM 660 C ALA A 46 3.338 -2.378 -1.839 1.00 0.00 C ATOM 661 O ALA A 46 4.229 -1.837 -2.496 1.00 0.00 O ATOM 662 CB ALA A 46 4.786 -3.987 -0.549 1.00 0.00 C ATOM 0 H ALA A 46 4.394 -5.097 -2.740 1.00 0.00 H new ATOM 0 HA ALA A 46 2.647 -4.029 -0.697 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.797 -3.279 0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.841 -5.003 -0.159 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.642 -3.800 -1.197 1.00 0.00 H new ATOM 668 N GLY A 47 2.211 -1.760 -1.484 1.00 0.00 N ATOM 669 CA GLY A 47 1.927 -0.392 -1.889 1.00 0.00 C ATOM 670 C GLY A 47 2.878 0.610 -1.273 1.00 0.00 C ATOM 671 O GLY A 47 3.662 0.270 -0.392 1.00 0.00 O ATOM 0 H GLY A 47 1.481 -2.190 -0.916 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.984 -0.320 -2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.905 -0.138 -1.606 1.00 0.00 H new ATOM 675 N LYS A 48 2.855 1.838 -1.760 1.00 0.00 N ATOM 676 CA LYS A 48 3.696 2.893 -1.216 1.00 0.00 C ATOM 677 C LYS A 48 2.838 3.977 -0.587 1.00 0.00 C ATOM 678 O LYS A 48 1.921 4.493 -1.212 1.00 0.00 O ATOM 679 CB LYS A 48 4.573 3.512 -2.309 1.00 0.00 C ATOM 680 CG LYS A 48 5.781 2.698 -2.734 1.00 0.00 C ATOM 681 CD LYS A 48 5.617 1.216 -2.488 1.00 0.00 C ATOM 682 CE LYS A 48 6.480 0.757 -1.339 1.00 0.00 C ATOM 683 NZ LYS A 48 6.444 -0.721 -1.181 1.00 0.00 N ATOM 0 H LYS A 48 2.260 2.132 -2.535 1.00 0.00 H new ATOM 0 HA LYS A 48 4.340 2.450 -0.456 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.953 3.690 -3.187 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.920 4.485 -1.961 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.969 2.865 -3.795 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.659 3.054 -2.195 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.572 0.993 -2.273 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.882 0.663 -3.389 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.508 1.081 -1.504 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.141 1.230 -0.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.567 -0.966 -0.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.529 -1.084 -1.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.211 -1.148 -1.738 1.00 0.00 H new ATOM 697 N VAL A 49 3.152 4.334 0.638 1.00 0.00 N ATOM 698 CA VAL A 49 2.416 5.378 1.331 1.00 0.00 C ATOM 699 C VAL A 49 2.819 6.744 0.782 1.00 0.00 C ATOM 700 O VAL A 49 3.873 7.285 1.114 1.00 0.00 O ATOM 701 CB VAL A 49 2.635 5.330 2.873 1.00 0.00 C ATOM 702 CG1 VAL A 49 2.081 6.578 3.547 1.00 0.00 C ATOM 703 CG2 VAL A 49 1.981 4.098 3.464 1.00 0.00 C ATOM 0 H VAL A 49 3.911 3.919 1.178 1.00 0.00 H new ATOM 0 HA VAL A 49 1.354 5.208 1.153 1.00 0.00 H new ATOM 0 HB VAL A 49 3.709 5.287 3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.248 6.516 4.622 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.586 7.460 3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.012 6.653 3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.144 4.081 4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.911 4.121 3.259 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.417 3.205 3.017 1.00 0.00 H new ATOM 713 N ALA A 50 1.984 7.279 -0.088 1.00 0.00 N ATOM 714 CA ALA A 50 2.231 8.571 -0.689 1.00 0.00 C ATOM 715 C ALA A 50 1.806 9.672 0.264 1.00 0.00 C ATOM 716 O ALA A 50 2.446 10.718 0.366 1.00 0.00 O ATOM 717 CB ALA A 50 1.459 8.668 -1.986 1.00 0.00 C ATOM 0 H ALA A 50 1.121 6.831 -0.395 1.00 0.00 H new ATOM 0 HA ALA A 50 3.295 8.685 -0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.640 9.640 -2.445 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.786 7.880 -2.664 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.394 8.555 -1.785 1.00 0.00 H new ATOM 723 N ALA A 51 0.719 9.405 0.966 1.00 0.00 N ATOM 724 CA ALA A 51 0.146 10.341 1.902 1.00 0.00 C ATOM 725 C ALA A 51 -0.505 9.588 3.042 1.00 0.00 C ATOM 726 O ALA A 51 -0.675 8.372 2.964 1.00 0.00 O ATOM 727 CB ALA A 51 -0.895 11.184 1.204 1.00 0.00 C ATOM 0 H ALA A 51 0.209 8.524 0.898 1.00 0.00 H new ATOM 0 HA ALA A 51 0.935 10.984 2.293 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.326 11.890 1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.430 11.731 0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.681 10.539 0.810 1.00 0.00 H new ATOM 733 N GLY A 52 -0.883 10.316 4.079 1.00 0.00 N ATOM 734 CA GLY A 52 -1.620 9.733 5.177 1.00 0.00 C ATOM 735 C GLY A 52 -0.851 8.647 5.897 1.00 0.00 C ATOM 736 O GLY A 52 0.381 8.618 5.862 1.00 0.00 O ATOM 0 H GLY A 52 -0.689 11.312 4.180 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.882 10.517 5.888 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.555 9.319 4.800 1.00 0.00 H new ATOM 740 N THR A 53 -1.577 7.750 6.552 1.00 0.00 N ATOM 741 CA THR A 53 -0.958 6.650 7.268 1.00 0.00 C ATOM 742 C THR A 53 -1.761 5.370 7.099 1.00 0.00 C ATOM 743 O THR A 53 -2.935 5.396 6.718 1.00 0.00 O ATOM 744 CB THR A 53 -0.815 6.944 8.772 1.00 0.00 C ATOM 745 OG1 THR A 53 -2.100 7.222 9.346 1.00 0.00 O ATOM 746 CG2 THR A 53 0.118 8.119 9.014 1.00 0.00 C ATOM 0 H THR A 53 -2.596 7.766 6.600 1.00 0.00 H new ATOM 0 HA THR A 53 0.036 6.526 6.838 1.00 0.00 H new ATOM 0 HB THR A 53 -0.388 6.061 9.248 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.481 6.396 9.710 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.200 8.304 10.085 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.104 7.890 8.609 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.280 9.007 8.522 1.00 0.00 H new ATOM 754 N VAL A 54 -1.116 4.260 7.406 1.00 0.00 N ATOM 755 CA VAL A 54 -1.703 2.939 7.275 1.00 0.00 C ATOM 756 C VAL A 54 -1.241 2.071 8.449 1.00 0.00 C ATOM 757 O VAL A 54 -0.363 2.481 9.209 1.00 0.00 O ATOM 758 CB VAL A 54 -1.254 2.277 5.968 1.00 0.00 C ATOM 759 CG1 VAL A 54 -1.721 3.068 4.753 1.00 0.00 C ATOM 760 CG2 VAL A 54 0.257 2.128 5.978 1.00 0.00 C ATOM 0 H VAL A 54 -0.159 4.250 7.757 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.789 3.035 7.271 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.711 1.290 5.896 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.385 2.570 3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.809 3.127 4.754 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.303 4.074 4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.582 1.657 5.050 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.719 3.111 6.068 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.556 1.508 6.823 1.00 0.00 H new ATOM 770 N ASP A 55 -1.823 0.890 8.605 1.00 0.00 N ATOM 771 CA ASP A 55 -1.364 -0.049 9.624 1.00 0.00 C ATOM 772 C ASP A 55 -0.698 -1.254 8.975 1.00 0.00 C ATOM 773 O ASP A 55 -1.370 -2.197 8.561 1.00 0.00 O ATOM 774 CB ASP A 55 -2.523 -0.514 10.507 1.00 0.00 C ATOM 775 CG ASP A 55 -2.054 -1.324 11.703 1.00 0.00 C ATOM 776 OD1 ASP A 55 -1.779 -2.535 11.550 1.00 0.00 O ATOM 777 OD2 ASP A 55 -1.967 -0.751 12.812 1.00 0.00 O ATOM 0 H ASP A 55 -2.608 0.559 8.044 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.638 0.469 10.250 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.080 0.355 10.857 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.210 -1.115 9.912 1.00 0.00 H new ATOM 782 N GLN A 56 0.621 -1.205 8.887 1.00 0.00 N ATOM 783 CA GLN A 56 1.413 -2.285 8.311 1.00 0.00 C ATOM 784 C GLN A 56 2.412 -2.794 9.343 1.00 0.00 C ATOM 785 O GLN A 56 3.596 -2.973 9.051 1.00 0.00 O ATOM 786 CB GLN A 56 2.148 -1.796 7.062 1.00 0.00 C ATOM 787 CG GLN A 56 2.852 -0.469 7.270 1.00 0.00 C ATOM 788 CD GLN A 56 3.976 -0.248 6.306 1.00 0.00 C ATOM 789 OE1 GLN A 56 4.542 -1.192 5.759 1.00 0.00 O ATOM 790 NE2 GLN A 56 4.323 1.008 6.120 1.00 0.00 N ATOM 0 H GLN A 56 1.176 -0.414 9.213 1.00 0.00 H new ATOM 0 HA GLN A 56 0.748 -3.100 8.024 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.880 -2.546 6.761 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.436 -1.699 6.243 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.129 0.340 7.168 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.239 -0.425 8.288 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.818 1.753 6.600 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.097 1.236 5.496 1.00 0.00 H new ATOM 799 N SER A 57 1.922 -3.021 10.552 1.00 0.00 N ATOM 800 CA SER A 57 2.771 -3.403 11.670 1.00 0.00 C ATOM 801 C SER A 57 3.434 -4.754 11.411 1.00 0.00 C ATOM 802 O SER A 57 4.603 -4.957 11.746 1.00 0.00 O ATOM 803 CB SER A 57 1.946 -3.448 12.962 1.00 0.00 C ATOM 804 OG SER A 57 2.780 -3.485 14.111 1.00 0.00 O ATOM 0 H SER A 57 0.932 -2.946 10.785 1.00 0.00 H new ATOM 0 HA SER A 57 3.558 -2.657 11.779 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.296 -2.574 13.011 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.300 -4.326 12.952 1.00 0.00 H new ATOM 0 HG SER A 57 2.224 -3.512 14.918 1.00 0.00 H new ATOM 810 N ASP A 58 2.697 -5.667 10.796 1.00 0.00 N ATOM 811 CA ASP A 58 3.222 -6.996 10.520 1.00 0.00 C ATOM 812 C ASP A 58 3.757 -7.082 9.092 1.00 0.00 C ATOM 813 O ASP A 58 3.286 -7.873 8.275 1.00 0.00 O ATOM 814 CB ASP A 58 2.149 -8.061 10.761 1.00 0.00 C ATOM 815 CG ASP A 58 2.712 -9.468 10.710 1.00 0.00 C ATOM 816 OD1 ASP A 58 3.579 -9.794 11.549 1.00 0.00 O ATOM 817 OD2 ASP A 58 2.302 -10.251 9.825 1.00 0.00 O ATOM 0 H ASP A 58 1.739 -5.514 10.480 1.00 0.00 H new ATOM 0 HA ASP A 58 4.050 -7.184 11.204 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.685 -7.893 11.733 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.364 -7.959 10.011 1.00 0.00 H new ATOM 822 N GLN A 59 4.736 -6.244 8.792 1.00 0.00 N ATOM 823 CA GLN A 59 5.391 -6.262 7.492 1.00 0.00 C ATOM 824 C GLN A 59 6.641 -7.142 7.527 1.00 0.00 C ATOM 825 O GLN A 59 7.064 -7.587 8.597 1.00 0.00 O ATOM 826 CB GLN A 59 5.747 -4.836 7.068 1.00 0.00 C ATOM 827 CG GLN A 59 5.017 -4.364 5.818 1.00 0.00 C ATOM 828 CD GLN A 59 5.736 -4.743 4.535 1.00 0.00 C ATOM 829 OE1 GLN A 59 6.433 -5.750 4.467 1.00 0.00 O ATOM 830 NE2 GLN A 59 5.574 -3.931 3.500 1.00 0.00 N ATOM 0 H GLN A 59 5.097 -5.539 9.434 1.00 0.00 H new ATOM 0 HA GLN A 59 4.703 -6.685 6.760 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.519 -4.156 7.889 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.821 -4.777 6.894 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.014 -4.791 5.806 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.902 -3.281 5.858 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.987 -3.101 3.590 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.036 -4.136 2.614 1.00 0.00 H new ATOM 839 N SER A 60 7.225 -7.394 6.367 1.00 0.00 N ATOM 840 CA SER A 60 8.397 -8.248 6.272 1.00 0.00 C ATOM 841 C SER A 60 9.684 -7.452 6.516 1.00 0.00 C ATOM 842 O SER A 60 10.138 -7.333 7.655 1.00 0.00 O ATOM 843 CB SER A 60 8.428 -8.934 4.905 1.00 0.00 C ATOM 844 OG SER A 60 7.203 -9.601 4.654 1.00 0.00 O ATOM 0 H SER A 60 6.905 -7.017 5.475 1.00 0.00 H new ATOM 0 HA SER A 60 8.335 -9.011 7.048 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.612 -8.195 4.125 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.251 -9.648 4.869 1.00 0.00 H new ATOM 0 HG SER A 60 7.240 -10.033 3.775 1.00 0.00 H new ATOM 850 N PHE A 61 10.250 -6.884 5.455 1.00 0.00 N ATOM 851 CA PHE A 61 11.495 -6.125 5.566 1.00 0.00 C ATOM 852 C PHE A 61 11.235 -4.627 5.422 1.00 0.00 C ATOM 853 O PHE A 61 12.150 -3.832 5.213 1.00 0.00 O ATOM 854 CB PHE A 61 12.538 -6.618 4.546 1.00 0.00 C ATOM 855 CG PHE A 61 11.999 -6.900 3.167 1.00 0.00 C ATOM 856 CD1 PHE A 61 11.380 -8.110 2.885 1.00 0.00 C ATOM 857 CD2 PHE A 61 12.119 -5.966 2.153 1.00 0.00 C ATOM 858 CE1 PHE A 61 10.892 -8.378 1.621 1.00 0.00 C ATOM 859 CE2 PHE A 61 11.634 -6.230 0.884 1.00 0.00 C ATOM 860 CZ PHE A 61 11.019 -7.437 0.620 1.00 0.00 C ATOM 0 H PHE A 61 9.869 -6.934 4.510 1.00 0.00 H new ATOM 0 HA PHE A 61 11.906 -6.294 6.561 1.00 0.00 H new ATOM 0 HB2 PHE A 61 13.326 -5.870 4.465 1.00 0.00 H new ATOM 0 HB3 PHE A 61 13.000 -7.527 4.932 1.00 0.00 H new ATOM 0 HD1 PHE A 61 11.279 -8.851 3.664 1.00 0.00 H new ATOM 0 HD2 PHE A 61 12.597 -5.019 2.355 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.411 -9.323 1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 61 11.737 -5.493 0.102 1.00 0.00 H new ATOM 0 HZ PHE A 61 10.638 -7.645 -0.369 1.00 0.00 H new ATOM 870 N LEU A 62 9.969 -4.264 5.541 1.00 0.00 N ATOM 871 CA LEU A 62 9.544 -2.873 5.584 1.00 0.00 C ATOM 872 C LEU A 62 9.613 -2.397 7.037 1.00 0.00 C ATOM 873 O LEU A 62 8.914 -2.930 7.899 1.00 0.00 O ATOM 874 CB LEU A 62 8.106 -2.798 5.039 1.00 0.00 C ATOM 875 CG LEU A 62 7.485 -1.422 4.749 1.00 0.00 C ATOM 876 CD1 LEU A 62 7.507 -0.499 5.955 1.00 0.00 C ATOM 877 CD2 LEU A 62 8.156 -0.784 3.559 1.00 0.00 C ATOM 0 H LEU A 62 9.200 -4.931 5.611 1.00 0.00 H new ATOM 0 HA LEU A 62 10.184 -2.233 4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.075 -3.373 4.114 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.458 -3.307 5.752 1.00 0.00 H new ATOM 0 HG LEU A 62 6.434 -1.587 4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.056 0.457 5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.944 -0.952 6.771 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.538 -0.338 6.271 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.706 0.190 3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.219 -0.658 3.765 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.029 -1.422 2.684 1.00 0.00 H new ATOM 889 N ASP A 63 10.467 -1.420 7.313 1.00 0.00 N ATOM 890 CA ASP A 63 10.594 -0.898 8.671 1.00 0.00 C ATOM 891 C ASP A 63 9.848 0.421 8.813 1.00 0.00 C ATOM 892 O ASP A 63 9.330 0.958 7.834 1.00 0.00 O ATOM 893 CB ASP A 63 12.060 -0.672 9.044 1.00 0.00 C ATOM 894 CG ASP A 63 12.323 -0.880 10.524 1.00 0.00 C ATOM 895 OD1 ASP A 63 12.119 0.071 11.307 1.00 0.00 O ATOM 896 OD2 ASP A 63 12.735 -1.995 10.908 1.00 0.00 O ATOM 0 H ASP A 63 11.076 -0.976 6.625 1.00 0.00 H new ATOM 0 HA ASP A 63 10.163 -1.641 9.342 1.00 0.00 H new ATOM 0 HB2 ASP A 63 12.687 -1.353 8.468 1.00 0.00 H new ATOM 0 HB3 ASP A 63 12.350 0.341 8.766 1.00 0.00 H new ATOM 901 N ASP A 64 9.832 0.959 10.018 1.00 0.00 N ATOM 902 CA ASP A 64 9.226 2.261 10.277 1.00 0.00 C ATOM 903 C ASP A 64 9.911 3.319 9.428 1.00 0.00 C ATOM 904 O ASP A 64 9.294 4.284 8.977 1.00 0.00 O ATOM 905 CB ASP A 64 9.361 2.620 11.755 1.00 0.00 C ATOM 906 CG ASP A 64 8.728 3.955 12.090 1.00 0.00 C ATOM 907 OD1 ASP A 64 7.491 4.078 11.973 1.00 0.00 O ATOM 908 OD2 ASP A 64 9.463 4.887 12.483 1.00 0.00 O ATOM 0 H ASP A 64 10.234 0.513 10.843 1.00 0.00 H new ATOM 0 HA ASP A 64 8.168 2.218 10.020 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.897 1.840 12.358 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.417 2.645 12.024 1.00 0.00 H new ATOM 913 N ALA A 65 11.196 3.100 9.201 1.00 0.00 N ATOM 914 CA ALA A 65 12.001 3.963 8.355 1.00 0.00 C ATOM 915 C ALA A 65 11.453 3.987 6.937 1.00 0.00 C ATOM 916 O ALA A 65 11.395 5.035 6.297 1.00 0.00 O ATOM 917 CB ALA A 65 13.438 3.474 8.355 1.00 0.00 C ATOM 0 H ALA A 65 11.711 2.315 9.600 1.00 0.00 H new ATOM 0 HA ALA A 65 11.965 4.978 8.750 1.00 0.00 H new ATOM 0 HB1 ALA A 65 14.043 4.122 7.720 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.829 3.495 9.372 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.475 2.454 7.973 1.00 0.00 H new ATOM 923 N GLN A 66 11.038 2.827 6.453 1.00 0.00 N ATOM 924 CA GLN A 66 10.480 2.717 5.123 1.00 0.00 C ATOM 925 C GLN A 66 9.107 3.375 5.054 1.00 0.00 C ATOM 926 O GLN A 66 8.766 3.989 4.052 1.00 0.00 O ATOM 927 CB GLN A 66 10.373 1.256 4.723 1.00 0.00 C ATOM 928 CG GLN A 66 11.693 0.518 4.709 1.00 0.00 C ATOM 929 CD GLN A 66 12.460 0.722 3.424 1.00 0.00 C ATOM 930 OE1 GLN A 66 12.368 1.766 2.783 1.00 0.00 O ATOM 931 NE2 GLN A 66 13.210 -0.287 3.033 1.00 0.00 N ATOM 0 H GLN A 66 11.079 1.947 6.967 1.00 0.00 H new ATOM 0 HA GLN A 66 11.145 3.233 4.430 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.695 0.751 5.411 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.925 1.194 3.731 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.302 0.854 5.548 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.511 -0.547 4.854 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.257 -1.136 3.597 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.744 -0.220 2.167 1.00 0.00 H new ATOM 940 N MET A 67 8.313 3.254 6.115 1.00 0.00 N ATOM 941 CA MET A 67 7.010 3.897 6.142 1.00 0.00 C ATOM 942 C MET A 67 7.164 5.406 6.254 1.00 0.00 C ATOM 943 O MET A 67 6.380 6.159 5.682 1.00 0.00 O ATOM 944 CB MET A 67 6.145 3.370 7.282 1.00 0.00 C ATOM 945 CG MET A 67 4.771 4.016 7.307 1.00 0.00 C ATOM 946 SD MET A 67 3.594 3.150 8.366 1.00 0.00 S ATOM 947 CE MET A 67 4.402 3.277 9.960 1.00 0.00 C ATOM 0 H MET A 67 8.548 2.724 6.954 1.00 0.00 H new ATOM 0 HA MET A 67 6.507 3.659 5.205 1.00 0.00 H new ATOM 0 HB2 MET A 67 6.035 2.290 7.183 1.00 0.00 H new ATOM 0 HB3 MET A 67 6.648 3.553 8.232 1.00 0.00 H new ATOM 0 HG2 MET A 67 4.868 5.046 7.650 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.376 4.054 6.292 1.00 0.00 H new ATOM 0 HE1 MET A 67 3.737 2.897 10.736 1.00 0.00 H new ATOM 0 HE2 MET A 67 5.321 2.690 9.950 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.640 4.321 10.165 1.00 0.00 H new ATOM 957 N GLY A 68 8.183 5.842 6.986 1.00 0.00 N ATOM 958 CA GLY A 68 8.511 7.252 7.025 1.00 0.00 C ATOM 959 C GLY A 68 8.961 7.732 5.663 1.00 0.00 C ATOM 960 O GLY A 68 8.782 8.897 5.305 1.00 0.00 O ATOM 0 H GLY A 68 8.786 5.244 7.552 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.642 7.824 7.349 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.299 7.427 7.757 1.00 0.00 H new ATOM 964 N ASN A 69 9.543 6.813 4.905 1.00 0.00 N ATOM 965 CA ASN A 69 9.918 7.064 3.522 1.00 0.00 C ATOM 966 C ASN A 69 8.702 6.986 2.610 1.00 0.00 C ATOM 967 O ASN A 69 8.735 7.459 1.475 1.00 0.00 O ATOM 968 CB ASN A 69 10.964 6.050 3.065 1.00 0.00 C ATOM 969 CG ASN A 69 12.377 6.552 3.207 1.00 0.00 C ATOM 970 OD1 ASN A 69 12.928 7.145 2.282 1.00 0.00 O ATOM 971 ND2 ASN A 69 12.977 6.314 4.354 1.00 0.00 N ATOM 0 H ASN A 69 9.768 5.873 5.232 1.00 0.00 H new ATOM 0 HA ASN A 69 10.338 8.068 3.463 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.851 5.134 3.645 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.780 5.792 2.022 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.937 6.625 4.502 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.482 5.818 5.095 1.00 0.00 H new ATOM 978 N GLY A 70 7.625 6.396 3.112 1.00 0.00 N ATOM 979 CA GLY A 70 6.407 6.316 2.337 1.00 0.00 C ATOM 980 C GLY A 70 6.168 4.945 1.732 1.00 0.00 C ATOM 981 O GLY A 70 5.691 4.845 0.608 1.00 0.00 O ATOM 0 H GLY A 70 7.575 5.973 4.039 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.562 6.576 2.974 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.444 7.056 1.538 1.00 0.00 H new ATOM 985 N PHE A 71 6.538 3.881 2.436 1.00 0.00 N ATOM 986 CA PHE A 71 6.420 2.531 1.886 1.00 0.00 C ATOM 987 C PHE A 71 5.609 1.612 2.816 1.00 0.00 C ATOM 988 O PHE A 71 5.726 1.714 4.030 1.00 0.00 O ATOM 989 CB PHE A 71 7.824 1.969 1.634 1.00 0.00 C ATOM 990 CG PHE A 71 8.685 2.878 0.796 1.00 0.00 C ATOM 991 CD1 PHE A 71 8.160 3.499 -0.319 1.00 0.00 C ATOM 992 CD2 PHE A 71 10.009 3.111 1.121 1.00 0.00 C ATOM 993 CE1 PHE A 71 8.925 4.342 -1.097 1.00 0.00 C ATOM 994 CE2 PHE A 71 10.786 3.953 0.346 1.00 0.00 C ATOM 995 CZ PHE A 71 10.241 4.570 -0.763 1.00 0.00 C ATOM 0 H PHE A 71 6.919 3.923 3.381 1.00 0.00 H new ATOM 0 HA PHE A 71 5.877 2.578 0.942 1.00 0.00 H new ATOM 0 HB2 PHE A 71 8.316 1.794 2.591 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.738 1.002 1.138 1.00 0.00 H new ATOM 0 HD1 PHE A 71 7.129 3.321 -0.588 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.440 2.631 1.987 1.00 0.00 H new ATOM 0 HE1 PHE A 71 8.494 4.821 -1.964 1.00 0.00 H new ATOM 0 HE2 PHE A 71 11.819 4.128 0.608 1.00 0.00 H new ATOM 0 HZ PHE A 71 10.846 5.230 -1.367 1.00 0.00 H new ATOM 1005 N VAL A 72 4.793 0.718 2.224 1.00 0.00 N ATOM 1006 CA VAL A 72 3.856 -0.150 2.975 1.00 0.00 C ATOM 1007 C VAL A 72 3.644 -1.501 2.232 1.00 0.00 C ATOM 1008 O VAL A 72 4.238 -1.713 1.181 1.00 0.00 O ATOM 1009 CB VAL A 72 2.504 0.608 3.166 1.00 0.00 C ATOM 1010 CG1 VAL A 72 1.989 1.131 1.830 1.00 0.00 C ATOM 1011 CG2 VAL A 72 1.436 -0.244 3.825 1.00 0.00 C ATOM 0 H VAL A 72 4.762 0.575 1.215 1.00 0.00 H new ATOM 0 HA VAL A 72 4.276 -0.381 3.954 1.00 0.00 H new ATOM 0 HB VAL A 72 2.713 1.443 3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.046 1.656 1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.720 1.816 1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.832 0.295 1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.520 0.338 3.930 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.239 -1.122 3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.780 -0.561 4.810 1.00 0.00 H new ATOM 1021 N LEU A 73 2.861 -2.431 2.816 1.00 0.00 N ATOM 1022 CA LEU A 73 2.424 -3.662 2.129 1.00 0.00 C ATOM 1023 C LEU A 73 0.899 -3.673 2.043 1.00 0.00 C ATOM 1024 O LEU A 73 0.225 -3.527 3.051 1.00 0.00 O ATOM 1025 CB LEU A 73 2.881 -4.914 2.891 1.00 0.00 C ATOM 1026 CG LEU A 73 3.268 -6.131 2.032 1.00 0.00 C ATOM 1027 CD1 LEU A 73 3.778 -7.261 2.912 1.00 0.00 C ATOM 1028 CD2 LEU A 73 2.097 -6.616 1.192 1.00 0.00 C ATOM 0 H LEU A 73 2.516 -2.350 3.772 1.00 0.00 H new ATOM 0 HA LEU A 73 2.869 -3.674 1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.738 -4.645 3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.081 -5.214 3.568 1.00 0.00 H new ATOM 0 HG LEU A 73 4.062 -5.817 1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.047 -8.114 2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.655 -6.924 3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.998 -7.556 3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.407 -7.476 0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.274 -6.904 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.769 -5.816 0.528 1.00 0.00 H new ATOM 1040 N THR A 74 0.361 -3.879 0.849 1.00 0.00 N ATOM 1041 CA THR A 74 -1.076 -3.767 0.631 1.00 0.00 C ATOM 1042 C THR A 74 -1.847 -4.964 1.201 1.00 0.00 C ATOM 1043 O THR A 74 -2.996 -4.823 1.625 1.00 0.00 O ATOM 1044 CB THR A 74 -1.381 -3.637 -0.869 1.00 0.00 C ATOM 1045 OG1 THR A 74 -0.319 -2.922 -1.507 1.00 0.00 O ATOM 1046 CG2 THR A 74 -2.687 -2.894 -1.093 1.00 0.00 C ATOM 0 H THR A 74 0.897 -4.124 0.016 1.00 0.00 H new ATOM 0 HA THR A 74 -1.406 -2.872 1.158 1.00 0.00 H new ATOM 0 HB THR A 74 -1.471 -4.637 -1.293 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.067 -3.475 -2.218 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.882 -2.814 -2.163 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.502 -3.438 -0.615 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.616 -1.895 -0.662 1.00 0.00 H new ATOM 1054 N CYS A 75 -1.215 -6.134 1.210 1.00 0.00 N ATOM 1055 CA CYS A 75 -1.859 -7.348 1.705 1.00 0.00 C ATOM 1056 C CYS A 75 -1.939 -7.376 3.233 1.00 0.00 C ATOM 1057 O CYS A 75 -2.750 -8.107 3.799 1.00 0.00 O ATOM 1058 CB CYS A 75 -1.124 -8.595 1.189 1.00 0.00 C ATOM 1059 SG CYS A 75 -1.413 -8.956 -0.564 1.00 0.00 S ATOM 0 H CYS A 75 -0.259 -6.268 0.881 1.00 0.00 H new ATOM 0 HA CYS A 75 -2.880 -7.350 1.324 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -0.054 -8.465 1.350 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -1.433 -9.456 1.781 1.00 0.00 H new ATOM 0 HG CYS A 75 -0.750 -10.022 -0.903 1.00 0.00 H new ATOM 1064 N VAL A 76 -1.113 -6.576 3.903 1.00 0.00 N ATOM 1065 CA VAL A 76 -1.074 -6.591 5.365 1.00 0.00 C ATOM 1066 C VAL A 76 -1.144 -5.174 5.930 1.00 0.00 C ATOM 1067 O VAL A 76 -0.462 -4.847 6.901 1.00 0.00 O ATOM 1068 CB VAL A 76 0.209 -7.270 5.906 1.00 0.00 C ATOM 1069 CG1 VAL A 76 0.013 -7.730 7.346 1.00 0.00 C ATOM 1070 CG2 VAL A 76 0.630 -8.434 5.029 1.00 0.00 C ATOM 0 H VAL A 76 -0.469 -5.917 3.465 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.942 -7.165 5.687 1.00 0.00 H new ATOM 0 HB VAL A 76 1.008 -6.528 5.886 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.927 -8.204 7.704 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.220 -6.870 7.974 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.808 -8.446 7.391 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.533 -8.888 5.436 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.168 -9.176 5.001 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.828 -8.075 4.019 1.00 0.00 H new ATOM 1080 N ALA A 77 -1.952 -4.321 5.320 1.00 0.00 N ATOM 1081 CA ALA A 77 -2.078 -2.958 5.807 1.00 0.00 C ATOM 1082 C ALA A 77 -3.366 -2.309 5.366 1.00 0.00 C ATOM 1083 O ALA A 77 -3.850 -2.551 4.266 1.00 0.00 O ATOM 1084 CB ALA A 77 -0.908 -2.116 5.350 1.00 0.00 C ATOM 0 H ALA A 77 -2.520 -4.543 4.502 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.086 -3.015 6.895 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.023 -1.099 5.726 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.019 -2.542 5.734 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.876 -2.099 4.261 1.00 0.00 H new ATOM 1090 N TYR A 78 -3.906 -1.485 6.242 1.00 0.00 N ATOM 1091 CA TYR A 78 -5.051 -0.653 5.932 1.00 0.00 C ATOM 1092 C TYR A 78 -4.825 0.751 6.447 1.00 0.00 C ATOM 1093 O TYR A 78 -4.038 0.955 7.356 1.00 0.00 O ATOM 1094 CB TYR A 78 -6.325 -1.231 6.524 1.00 0.00 C ATOM 1095 CG TYR A 78 -6.179 -1.847 7.890 1.00 0.00 C ATOM 1096 CD1 TYR A 78 -6.028 -1.059 9.016 1.00 0.00 C ATOM 1097 CD2 TYR A 78 -6.206 -3.223 8.047 1.00 0.00 C ATOM 1098 CE1 TYR A 78 -5.904 -1.625 10.268 1.00 0.00 C ATOM 1099 CE2 TYR A 78 -6.089 -3.800 9.290 1.00 0.00 C ATOM 1100 CZ TYR A 78 -5.938 -2.998 10.401 1.00 0.00 C ATOM 1101 OH TYR A 78 -5.816 -3.568 11.648 1.00 0.00 O ATOM 0 H TYR A 78 -3.560 -1.373 7.195 1.00 0.00 H new ATOM 0 HA TYR A 78 -5.167 -0.623 4.849 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.072 -0.439 6.579 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.712 -1.988 5.842 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -6.007 0.016 8.914 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.321 -3.854 7.178 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -5.781 -0.998 11.138 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.115 -4.875 9.395 1.00 0.00 H new ATOM 0 HH TYR A 78 -5.861 -4.544 11.568 1.00 0.00 H new ATOM 1111 N PRO A 79 -5.522 1.732 5.879 1.00 0.00 N ATOM 1112 CA PRO A 79 -5.330 3.135 6.218 1.00 0.00 C ATOM 1113 C PRO A 79 -5.793 3.438 7.627 1.00 0.00 C ATOM 1114 O PRO A 79 -6.934 3.165 7.988 1.00 0.00 O ATOM 1115 CB PRO A 79 -6.201 3.869 5.202 1.00 0.00 C ATOM 1116 CG PRO A 79 -7.258 2.887 4.852 1.00 0.00 C ATOM 1117 CD PRO A 79 -6.595 1.549 4.898 1.00 0.00 C ATOM 0 HA PRO A 79 -4.281 3.429 6.184 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -6.627 4.778 5.626 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -5.626 4.165 4.325 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -8.088 2.937 5.556 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -7.667 3.088 3.862 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -7.290 0.767 5.205 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -6.202 1.262 3.923 1.00 0.00 H new ATOM 1125 N THR A 80 -4.898 3.974 8.426 1.00 0.00 N ATOM 1126 CA THR A 80 -5.264 4.424 9.757 1.00 0.00 C ATOM 1127 C THR A 80 -5.701 5.878 9.706 1.00 0.00 C ATOM 1128 O THR A 80 -6.161 6.447 10.696 1.00 0.00 O ATOM 1129 CB THR A 80 -4.100 4.251 10.740 1.00 0.00 C ATOM 1130 OG1 THR A 80 -2.891 4.758 10.160 1.00 0.00 O ATOM 1131 CG2 THR A 80 -3.918 2.787 11.102 1.00 0.00 C ATOM 0 H THR A 80 -3.917 4.110 8.183 1.00 0.00 H new ATOM 0 HA THR A 80 -6.093 3.812 10.111 1.00 0.00 H new ATOM 0 HB THR A 80 -4.329 4.810 11.647 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.152 4.646 10.794 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.087 2.685 11.800 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.830 2.411 11.566 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.706 2.213 10.200 1.00 0.00 H new ATOM 1139 N SER A 81 -5.539 6.470 8.532 1.00 0.00 N ATOM 1140 CA SER A 81 -6.048 7.802 8.256 1.00 0.00 C ATOM 1141 C SER A 81 -6.409 7.901 6.782 1.00 0.00 C ATOM 1142 O SER A 81 -6.151 6.974 6.009 1.00 0.00 O ATOM 1143 CB SER A 81 -5.011 8.872 8.574 1.00 0.00 C ATOM 1144 OG SER A 81 -4.363 8.634 9.813 1.00 0.00 O ATOM 0 H SER A 81 -5.052 6.040 7.746 1.00 0.00 H new ATOM 0 HA SER A 81 -6.923 7.967 8.885 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.268 8.905 7.777 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.494 9.849 8.600 1.00 0.00 H new ATOM 0 HG SER A 81 -3.559 8.095 9.663 1.00 0.00 H new ATOM 1150 N ASP A 82 -6.993 9.021 6.398 1.00 0.00 N ATOM 1151 CA ASP A 82 -7.289 9.287 5.009 1.00 0.00 C ATOM 1152 C ASP A 82 -5.980 9.604 4.298 1.00 0.00 C ATOM 1153 O ASP A 82 -5.217 10.463 4.740 1.00 0.00 O ATOM 1154 CB ASP A 82 -8.286 10.442 4.893 1.00 0.00 C ATOM 1155 CG ASP A 82 -7.761 11.756 5.437 1.00 0.00 C ATOM 1156 OD1 ASP A 82 -7.573 11.868 6.669 1.00 0.00 O ATOM 1157 OD2 ASP A 82 -7.547 12.689 4.636 1.00 0.00 O ATOM 0 H ASP A 82 -7.272 9.765 7.038 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.750 8.417 4.541 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.555 10.574 3.845 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.199 10.177 5.426 1.00 0.00 H new ATOM 1162 N CYS A 83 -5.696 8.890 3.227 1.00 0.00 N ATOM 1163 CA CYS A 83 -4.360 8.915 2.657 1.00 0.00 C ATOM 1164 C CYS A 83 -4.374 8.777 1.148 1.00 0.00 C ATOM 1165 O CYS A 83 -5.425 8.752 0.513 1.00 0.00 O ATOM 1166 CB CYS A 83 -3.555 7.775 3.280 1.00 0.00 C ATOM 1167 SG CYS A 83 -4.261 6.135 3.021 1.00 0.00 S ATOM 0 H CYS A 83 -6.362 8.292 2.738 1.00 0.00 H new ATOM 0 HA CYS A 83 -3.905 9.881 2.878 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -2.546 7.792 2.868 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.465 7.953 4.352 1.00 0.00 H new ATOM 0 HG CYS A 83 -5.554 6.194 3.146 1.00 0.00 H new ATOM 1173 N THR A 84 -3.183 8.720 0.601 1.00 0.00 N ATOM 1174 CA THR A 84 -2.962 8.451 -0.798 1.00 0.00 C ATOM 1175 C THR A 84 -1.875 7.412 -0.893 1.00 0.00 C ATOM 1176 O THR A 84 -0.788 7.615 -0.369 1.00 0.00 O ATOM 1177 CB THR A 84 -2.511 9.704 -1.561 1.00 0.00 C ATOM 1178 OG1 THR A 84 -3.594 10.635 -1.675 1.00 0.00 O ATOM 1179 CG2 THR A 84 -1.980 9.328 -2.941 1.00 0.00 C ATOM 0 H THR A 84 -2.322 8.863 1.129 1.00 0.00 H new ATOM 0 HA THR A 84 -3.897 8.111 -1.243 1.00 0.00 H new ATOM 0 HB THR A 84 -1.705 10.179 -1.002 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.292 11.430 -2.162 1.00 0.00 H new ATOM 0 HG21 THR A 84 -1.665 10.229 -3.467 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.130 8.655 -2.833 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.766 8.831 -3.510 1.00 0.00 H new ATOM 1187 N ILE A 85 -2.147 6.307 -1.543 1.00 0.00 N ATOM 1188 CA ILE A 85 -1.233 5.198 -1.510 1.00 0.00 C ATOM 1189 C ILE A 85 -0.903 4.734 -2.915 1.00 0.00 C ATOM 1190 O ILE A 85 -1.760 4.290 -3.667 1.00 0.00 O ATOM 1191 CB ILE A 85 -1.774 4.017 -0.679 1.00 0.00 C ATOM 1192 CG1 ILE A 85 -2.064 4.434 0.786 1.00 0.00 C ATOM 1193 CG2 ILE A 85 -0.795 2.854 -0.733 1.00 0.00 C ATOM 1194 CD1 ILE A 85 -1.057 5.377 1.418 1.00 0.00 C ATOM 0 H ILE A 85 -2.989 6.154 -2.097 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.324 5.553 -1.024 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.722 3.700 -1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.046 4.905 0.822 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.121 3.532 1.396 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.184 2.023 -0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.665 2.536 -1.767 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.166 3.168 -0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.360 5.600 2.441 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.073 4.907 1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.013 6.302 0.842 1.00 0.00 H new ATOM 1206 N GLN A 86 0.353 4.865 -3.244 1.00 0.00 N ATOM 1207 CA GLN A 86 0.890 4.456 -4.518 1.00 0.00 C ATOM 1208 C GLN A 86 0.876 2.936 -4.608 1.00 0.00 C ATOM 1209 O GLN A 86 1.095 2.251 -3.619 1.00 0.00 O ATOM 1210 CB GLN A 86 2.306 4.989 -4.576 1.00 0.00 C ATOM 1211 CG GLN A 86 2.544 6.087 -5.594 1.00 0.00 C ATOM 1212 CD GLN A 86 3.788 6.901 -5.266 1.00 0.00 C ATOM 1213 OE1 GLN A 86 4.760 6.262 -4.624 1.00 0.00 O flip ATOM 1214 NE2 GLN A 86 3.872 8.087 -5.577 1.00 0.00 N flip ATOM 0 H GLN A 86 1.051 5.269 -2.619 1.00 0.00 H new ATOM 0 HA GLN A 86 0.303 4.841 -5.352 1.00 0.00 H new ATOM 0 HB2 GLN A 86 2.575 5.366 -3.589 1.00 0.00 H new ATOM 0 HB3 GLN A 86 2.980 4.161 -4.795 1.00 0.00 H new ATOM 0 HG2 GLN A 86 2.648 5.647 -6.586 1.00 0.00 H new ATOM 0 HG3 GLN A 86 1.677 6.746 -5.627 1.00 0.00 H new ATOM 0 HE21 GLN A 86 3.103 8.541 -6.070 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.711 8.618 -5.342 1.00 0.00 H new ATOM 1223 N THR A 87 0.611 2.410 -5.786 1.00 0.00 N ATOM 1224 CA THR A 87 0.395 0.981 -5.933 1.00 0.00 C ATOM 1225 C THR A 87 1.641 0.226 -6.399 1.00 0.00 C ATOM 1226 O THR A 87 2.369 -0.364 -5.607 1.00 0.00 O ATOM 1227 CB THR A 87 -0.746 0.727 -6.934 1.00 0.00 C ATOM 1228 OG1 THR A 87 -0.507 1.467 -8.142 1.00 0.00 O ATOM 1229 CG2 THR A 87 -2.073 1.151 -6.348 1.00 0.00 C ATOM 0 H THR A 87 0.540 2.944 -6.652 1.00 0.00 H new ATOM 0 HA THR A 87 0.138 0.604 -4.943 1.00 0.00 H new ATOM 0 HB THR A 87 -0.779 -0.340 -7.153 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.356 0.844 -8.883 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.867 0.963 -7.071 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.268 0.582 -5.439 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.043 2.214 -6.110 1.00 0.00 H new ATOM 1237 N HIS A 88 1.880 0.307 -7.695 1.00 0.00 N ATOM 1238 CA HIS A 88 2.819 -0.562 -8.415 1.00 0.00 C ATOM 1239 C HIS A 88 4.295 -0.265 -8.146 1.00 0.00 C ATOM 1240 O HIS A 88 5.159 -0.638 -8.937 1.00 0.00 O ATOM 1241 CB HIS A 88 2.539 -0.455 -9.906 1.00 0.00 C ATOM 1242 CG HIS A 88 1.298 -1.181 -10.340 1.00 0.00 C ATOM 1243 ND1 HIS A 88 0.045 -0.919 -9.823 1.00 0.00 N ATOM 1244 CD2 HIS A 88 1.127 -2.178 -11.239 1.00 0.00 C ATOM 1245 CE1 HIS A 88 -0.836 -1.726 -10.384 1.00 0.00 C ATOM 1246 NE2 HIS A 88 -0.208 -2.499 -11.247 1.00 0.00 N ATOM 0 H HIS A 88 1.422 0.990 -8.298 1.00 0.00 H new ATOM 0 HA HIS A 88 2.652 -1.573 -8.044 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.447 0.597 -10.175 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.392 -0.851 -10.456 1.00 0.00 H new ATOM 0 HD2 HIS A 88 1.899 -2.637 -11.840 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -1.895 -1.749 -10.171 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.642 -3.218 -11.826 1.00 0.00 H new ATOM 1255 N GLN A 89 4.590 0.416 -7.059 1.00 0.00 N ATOM 1256 CA GLN A 89 5.964 0.789 -6.754 1.00 0.00 C ATOM 1257 C GLN A 89 6.522 -0.020 -5.588 1.00 0.00 C ATOM 1258 O GLN A 89 7.311 0.488 -4.796 1.00 0.00 O ATOM 1259 CB GLN A 89 6.088 2.289 -6.486 1.00 0.00 C ATOM 1260 CG GLN A 89 4.790 2.976 -6.113 1.00 0.00 C ATOM 1261 CD GLN A 89 4.238 3.823 -7.236 1.00 0.00 C ATOM 1262 OE1 GLN A 89 4.723 4.919 -7.502 1.00 0.00 O ATOM 1263 NE2 GLN A 89 3.165 3.364 -7.831 1.00 0.00 N ATOM 0 H GLN A 89 3.903 0.724 -6.371 1.00 0.00 H new ATOM 0 HA GLN A 89 6.563 0.555 -7.634 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.808 2.442 -5.682 1.00 0.00 H new ATOM 0 HB3 GLN A 89 6.495 2.770 -7.375 1.00 0.00 H new ATOM 0 HG2 GLN A 89 4.052 2.224 -5.834 1.00 0.00 H new ATOM 0 HG3 GLN A 89 4.954 3.603 -5.237 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.795 2.447 -7.580 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.699 3.923 -8.546 1.00 0.00 H new ATOM 1272 N GLU A 90 6.113 -1.279 -5.497 1.00 0.00 N ATOM 1273 CA GLU A 90 6.534 -2.171 -4.411 1.00 0.00 C ATOM 1274 C GLU A 90 8.050 -2.173 -4.204 1.00 0.00 C ATOM 1275 O GLU A 90 8.521 -2.168 -3.061 1.00 0.00 O ATOM 1276 CB GLU A 90 6.058 -3.603 -4.658 1.00 0.00 C ATOM 1277 CG GLU A 90 6.693 -4.308 -5.858 1.00 0.00 C ATOM 1278 CD GLU A 90 6.461 -3.596 -7.174 1.00 0.00 C ATOM 1279 OE1 GLU A 90 5.380 -3.769 -7.768 1.00 0.00 O ATOM 1280 OE2 GLU A 90 7.363 -2.852 -7.610 1.00 0.00 O ATOM 0 H GLU A 90 5.482 -1.715 -6.169 1.00 0.00 H new ATOM 0 HA GLU A 90 6.070 -1.781 -3.505 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.258 -4.193 -3.764 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.977 -3.590 -4.796 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.766 -4.400 -5.689 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.294 -5.320 -5.927 1.00 0.00 H new ATOM 1287 N GLU A 91 8.788 -2.145 -5.314 1.00 0.00 N ATOM 1288 CA GLU A 91 10.254 -2.122 -5.320 1.00 0.00 C ATOM 1289 C GLU A 91 10.795 -1.052 -4.379 1.00 0.00 C ATOM 1290 O GLU A 91 11.893 -1.175 -3.843 1.00 0.00 O ATOM 1291 CB GLU A 91 10.755 -1.869 -6.749 1.00 0.00 C ATOM 1292 CG GLU A 91 12.260 -1.654 -6.874 1.00 0.00 C ATOM 1293 CD GLU A 91 13.068 -2.836 -6.385 1.00 0.00 C ATOM 1294 OE1 GLU A 91 13.025 -3.905 -7.031 1.00 0.00 O ATOM 1295 OE2 GLU A 91 13.754 -2.702 -5.360 1.00 0.00 O ATOM 0 H GLU A 91 8.380 -2.138 -6.249 1.00 0.00 H new ATOM 0 HA GLU A 91 10.616 -3.088 -4.969 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.471 -2.716 -7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.243 -0.993 -7.148 1.00 0.00 H new ATOM 0 HG2 GLU A 91 12.508 -1.458 -7.917 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.543 -0.767 -6.307 1.00 0.00 H new ATOM 1302 N ALA A 92 10.014 -0.001 -4.185 1.00 0.00 N ATOM 1303 CA ALA A 92 10.475 1.170 -3.456 1.00 0.00 C ATOM 1304 C ALA A 92 10.990 0.808 -2.060 1.00 0.00 C ATOM 1305 O ALA A 92 11.932 1.422 -1.567 1.00 0.00 O ATOM 1306 CB ALA A 92 9.370 2.201 -3.370 1.00 0.00 C ATOM 0 H ALA A 92 9.054 0.065 -4.524 1.00 0.00 H new ATOM 0 HA ALA A 92 11.314 1.595 -4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.728 3.073 -2.822 1.00 0.00 H new ATOM 0 HB2 ALA A 92 9.073 2.501 -4.375 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.512 1.773 -2.851 1.00 0.00 H new ATOM 1312 N LEU A 93 10.361 -0.180 -1.428 1.00 0.00 N ATOM 1313 CA LEU A 93 10.804 -0.669 -0.128 1.00 0.00 C ATOM 1314 C LEU A 93 11.999 -1.615 -0.276 1.00 0.00 C ATOM 1315 O LEU A 93 12.868 -1.670 0.589 1.00 0.00 O ATOM 1316 CB LEU A 93 9.637 -1.384 0.576 1.00 0.00 C ATOM 1317 CG LEU A 93 9.784 -2.892 0.768 1.00 0.00 C ATOM 1318 CD1 LEU A 93 10.426 -3.186 2.111 1.00 0.00 C ATOM 1319 CD2 LEU A 93 8.433 -3.582 0.652 1.00 0.00 C ATOM 0 H LEU A 93 9.540 -0.658 -1.798 1.00 0.00 H new ATOM 0 HA LEU A 93 11.124 0.180 0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.496 -0.927 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.728 -1.199 0.004 1.00 0.00 H new ATOM 0 HG LEU A 93 10.430 -3.283 -0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.526 -4.264 2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.412 -2.722 2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 93 9.802 -2.783 2.909 1.00 0.00 H new ATOM 0 HD21 LEU A 93 8.560 -4.656 0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 93 7.759 -3.194 1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 93 8.011 -3.392 -0.335 1.00 0.00 H new ATOM 1331 N TYR A 94 12.038 -2.340 -1.387 1.00 0.00 N ATOM 1332 CA TYR A 94 12.951 -3.469 -1.536 1.00 0.00 C ATOM 1333 C TYR A 94 14.397 -3.009 -1.698 1.00 0.00 C ATOM 1334 O TYR A 94 15.220 -3.175 -0.795 1.00 0.00 O ATOM 1335 CB TYR A 94 12.526 -4.306 -2.743 1.00 0.00 C ATOM 1336 CG TYR A 94 12.922 -5.762 -2.668 1.00 0.00 C ATOM 1337 CD1 TYR A 94 14.211 -6.144 -2.324 1.00 0.00 C ATOM 1338 CD2 TYR A 94 11.996 -6.755 -2.948 1.00 0.00 C ATOM 1339 CE1 TYR A 94 14.566 -7.476 -2.259 1.00 0.00 C ATOM 1340 CE2 TYR A 94 12.342 -8.092 -2.885 1.00 0.00 C ATOM 1341 CZ TYR A 94 13.629 -8.446 -2.540 1.00 0.00 C ATOM 1342 OH TYR A 94 13.983 -9.775 -2.473 1.00 0.00 O ATOM 0 H TYR A 94 11.447 -2.167 -2.200 1.00 0.00 H new ATOM 0 HA TYR A 94 12.901 -4.072 -0.629 1.00 0.00 H new ATOM 0 HB2 TYR A 94 11.443 -4.242 -2.850 1.00 0.00 H new ATOM 0 HB3 TYR A 94 12.961 -3.870 -3.642 1.00 0.00 H new ATOM 0 HD1 TYR A 94 14.948 -5.386 -2.104 1.00 0.00 H new ATOM 0 HD2 TYR A 94 10.988 -6.480 -3.220 1.00 0.00 H new ATOM 0 HE1 TYR A 94 15.573 -7.757 -1.989 1.00 0.00 H new ATOM 0 HE2 TYR A 94 11.609 -8.854 -3.105 1.00 0.00 H new ATOM 0 HH TYR A 94 13.209 -10.332 -2.698 1.00 0.00 H new