USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 794 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 NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 110 ZNZN :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 108 ZNZN :(H bumps) USER MOD NoAdj-H: A 71 HIS HD1 : A 71 HIS ND1 : A 110 ZNZN :(H bumps) USER MOD Set 1.1: A 82 GLN : amide:sc= 0 X(o=0,f=0.062) USER MOD Set 1.2: A 84 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 74 THR OG1 : rot -64:sc= 0.715 USER MOD Set 2.2: A 85 THR OG1 : rot 180:sc= 0.636 USER MOD Set 3.1: A 8 LYS NZ :NH3+ -157:sc= 2.05 (180deg=1.09) USER MOD Set 3.2: A 26 ASN : amide:sc= 2.32 K(o=4.4,f=-7!) USER MOD Set 4.1: A 20 ASN : amide:sc= 0.91 K(o=2.8,f=-1.9) USER MOD Set 4.2: A 44 LYS NZ :NH3+ -148:sc= 1.9 (180deg=1.32) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.745 K(o=0.74,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.683 K(o=0.68,f=-0.96) USER MOD Single : A 16 THR OG1 : rot 84:sc= 0.35 USER MOD Single : A 17 CYS SG : rot 59:sc= 0.421 USER MOD Single : A 22 SER OG : rot 13:sc= 0.38 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00719 USER MOD Single : A 34 SER OG : rot -48:sc= 0.0141 USER MOD Single : A 35 LYS NZ :NH3+ -148:sc= 0.073 (180deg=0) USER MOD Single : A 39 MET CE :methyl -151:sc=-0.00255 (180deg=-1.89) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0.976 K(o=0.98,f=-0.2) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 1.1 (180deg=1.07) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0.0659 X(o=0.066,f=-0.1) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot -10:sc= 0.0155 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 171:sc= 0 (180deg=-0.0785) USER MOD Single : A 86 MET CE :methyl -165:sc=-0.00475 (180deg=-0.263) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 1.04 K(o=1,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 2 -1.181 14.794 -8.677 1.00 0.00 N ATOM 2 CA CYS A 2 -0.715 15.265 -9.971 1.00 0.00 C ATOM 3 C CYS A 2 0.711 14.770 -10.315 1.00 0.00 C ATOM 4 O CYS A 2 1.321 15.211 -11.295 1.00 0.00 O ATOM 5 CB CYS A 2 -0.939 16.804 -10.067 1.00 0.00 C ATOM 6 SG CYS A 2 -0.871 17.782 -8.499 1.00 0.00 S ATOM 0 HA CYS A 2 -1.312 14.815 -10.764 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -0.191 17.210 -10.748 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -1.913 16.973 -10.526 1.00 0.00 H new ATOM 11 N GLY A 3 1.250 13.850 -9.504 1.00 0.00 N ATOM 12 CA GLY A 3 2.597 13.271 -9.595 1.00 0.00 C ATOM 13 C GLY A 3 3.672 14.253 -9.122 1.00 0.00 C ATOM 14 O GLY A 3 4.624 13.850 -8.459 1.00 0.00 O ATOM 0 H GLY A 3 0.725 13.466 -8.718 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.644 12.363 -8.993 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.799 12.980 -10.626 1.00 0.00 H new ATOM 18 N ASP A 4 3.481 15.554 -9.357 1.00 0.00 N ATOM 19 CA ASP A 4 4.321 16.602 -8.770 1.00 0.00 C ATOM 20 C ASP A 4 4.128 16.637 -7.234 1.00 0.00 C ATOM 21 O ASP A 4 4.994 17.153 -6.520 1.00 0.00 O ATOM 22 CB ASP A 4 4.002 17.959 -9.411 1.00 0.00 C ATOM 23 CG ASP A 4 4.656 18.109 -10.795 1.00 0.00 C ATOM 24 OD1 ASP A 4 5.907 18.193 -10.866 1.00 0.00 O ATOM 25 OD2 ASP A 4 3.932 18.172 -11.817 1.00 0.00 O ATOM 0 H ASP A 4 2.739 15.911 -9.960 1.00 0.00 H new ATOM 0 HA ASP A 4 5.369 16.380 -8.971 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.922 18.070 -9.506 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.349 18.759 -8.757 1.00 0.00 H new ATOM 30 N CYS A 5 3.031 16.047 -6.729 1.00 0.00 N ATOM 31 CA CYS A 5 2.725 15.888 -5.311 1.00 0.00 C ATOM 32 C CYS A 5 3.771 15.025 -4.563 1.00 0.00 C ATOM 33 O CYS A 5 3.930 15.164 -3.348 1.00 0.00 O ATOM 34 CB CYS A 5 1.349 15.199 -5.125 1.00 0.00 C ATOM 35 SG CYS A 5 -0.097 16.097 -5.780 1.00 0.00 S ATOM 0 H CYS A 5 2.307 15.654 -7.330 1.00 0.00 H new ATOM 0 HA CYS A 5 2.728 16.895 -4.895 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.389 14.220 -5.602 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.193 15.028 -4.060 1.00 0.00 H new ATOM 40 N VAL A 6 4.463 14.107 -5.258 1.00 0.00 N ATOM 41 CA VAL A 6 5.406 13.143 -4.657 1.00 0.00 C ATOM 42 C VAL A 6 6.863 13.434 -5.050 1.00 0.00 C ATOM 43 O VAL A 6 7.170 13.749 -6.201 1.00 0.00 O ATOM 44 CB VAL A 6 5.013 11.681 -4.981 1.00 0.00 C ATOM 45 CG1 VAL A 6 3.553 11.391 -4.604 1.00 0.00 C ATOM 46 CG2 VAL A 6 5.192 11.234 -6.437 1.00 0.00 C ATOM 0 H VAL A 6 4.383 14.011 -6.270 1.00 0.00 H new ATOM 0 HA VAL A 6 5.337 13.269 -3.577 1.00 0.00 H new ATOM 0 HB VAL A 6 5.722 11.114 -4.377 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.314 10.356 -4.846 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.414 11.556 -3.536 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.894 12.056 -5.163 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.884 10.193 -6.539 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.580 11.859 -7.087 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.240 11.332 -6.721 1.00 0.00 H new ATOM 56 N GLU A 7 7.787 13.314 -4.093 1.00 0.00 N ATOM 57 CA GLU A 7 9.232 13.499 -4.292 1.00 0.00 C ATOM 58 C GLU A 7 9.795 12.417 -5.235 1.00 0.00 C ATOM 59 O GLU A 7 10.621 12.710 -6.103 1.00 0.00 O ATOM 60 CB GLU A 7 9.933 13.481 -2.916 1.00 0.00 C ATOM 61 CG GLU A 7 11.450 13.657 -2.973 1.00 0.00 C ATOM 62 CD GLU A 7 12.093 13.500 -1.584 1.00 0.00 C ATOM 63 OE1 GLU A 7 12.400 12.343 -1.203 1.00 0.00 O ATOM 64 OE2 GLU A 7 12.319 14.520 -0.888 1.00 0.00 O ATOM 0 H GLU A 7 7.546 13.079 -3.130 1.00 0.00 H new ATOM 0 HA GLU A 7 9.420 14.462 -4.768 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.511 14.273 -2.298 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.708 12.536 -2.421 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.876 12.923 -3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.687 14.642 -3.375 1.00 0.00 H new ATOM 71 N LYS A 8 9.323 11.172 -5.076 1.00 0.00 N ATOM 72 CA LYS A 8 9.689 9.988 -5.866 1.00 0.00 C ATOM 73 C LYS A 8 8.416 9.224 -6.236 1.00 0.00 C ATOM 74 O LYS A 8 7.533 9.067 -5.393 1.00 0.00 O ATOM 75 CB LYS A 8 10.620 9.091 -5.022 1.00 0.00 C ATOM 76 CG LYS A 8 11.926 9.796 -4.609 1.00 0.00 C ATOM 77 CD LYS A 8 12.797 9.019 -3.608 1.00 0.00 C ATOM 78 CE LYS A 8 12.130 8.654 -2.268 1.00 0.00 C ATOM 79 NZ LYS A 8 11.437 9.794 -1.608 1.00 0.00 N ATOM 0 H LYS A 8 8.638 10.952 -4.353 1.00 0.00 H new ATOM 0 HA LYS A 8 10.207 10.285 -6.778 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.090 8.768 -4.126 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.863 8.193 -5.590 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.515 9.990 -5.505 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.677 10.764 -4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 8 13.131 8.098 -4.087 1.00 0.00 H new ATOM 0 HD3 LYS A 8 13.688 9.610 -3.398 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.410 7.853 -2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 8 12.889 8.262 -1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.358 9.608 -0.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.982 10.667 -1.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.486 9.905 -2.015 1.00 0.00 H new ATOM 93 N GLU A 9 8.322 8.726 -7.467 1.00 0.00 N ATOM 94 CA GLU A 9 7.198 7.895 -7.928 1.00 0.00 C ATOM 95 C GLU A 9 7.413 6.445 -7.460 1.00 0.00 C ATOM 96 O GLU A 9 8.454 5.855 -7.761 1.00 0.00 O ATOM 97 CB GLU A 9 7.116 7.922 -9.467 1.00 0.00 C ATOM 98 CG GLU A 9 6.437 9.178 -10.022 1.00 0.00 C ATOM 99 CD GLU A 9 7.021 9.569 -11.394 1.00 0.00 C ATOM 100 OE1 GLU A 9 6.514 9.087 -12.436 1.00 0.00 O ATOM 101 OE2 GLU A 9 7.993 10.362 -11.441 1.00 0.00 O ATOM 0 H GLU A 9 9.029 8.886 -8.185 1.00 0.00 H new ATOM 0 HA GLU A 9 6.270 8.288 -7.512 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.123 7.852 -9.878 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.570 7.043 -9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.365 9.003 -10.117 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.565 10.003 -9.321 1.00 0.00 H new ATOM 108 N TYR A 10 6.441 5.870 -6.741 1.00 0.00 N ATOM 109 CA TYR A 10 6.487 4.494 -6.209 1.00 0.00 C ATOM 110 C TYR A 10 7.832 4.154 -5.527 1.00 0.00 C ATOM 111 O TYR A 10 8.536 3.228 -5.949 1.00 0.00 O ATOM 112 CB TYR A 10 6.080 3.469 -7.285 1.00 0.00 C ATOM 113 CG TYR A 10 4.725 3.690 -7.939 1.00 0.00 C ATOM 114 CD1 TYR A 10 4.553 4.721 -8.887 1.00 0.00 C ATOM 115 CD2 TYR A 10 3.632 2.863 -7.602 1.00 0.00 C ATOM 116 CE1 TYR A 10 3.298 4.947 -9.474 1.00 0.00 C ATOM 117 CE2 TYR A 10 2.366 3.101 -8.176 1.00 0.00 C ATOM 118 CZ TYR A 10 2.196 4.137 -9.119 1.00 0.00 C ATOM 119 OH TYR A 10 0.972 4.351 -9.676 1.00 0.00 O ATOM 0 H TYR A 10 5.577 6.358 -6.505 1.00 0.00 H new ATOM 0 HA TYR A 10 5.746 4.433 -5.412 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.842 3.469 -8.065 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.086 2.477 -6.834 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.393 5.341 -9.163 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.765 2.049 -6.905 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.175 5.740 -10.197 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.523 2.488 -7.893 1.00 0.00 H new ATOM 0 HH TYR A 10 0.332 3.701 -9.318 1.00 0.00 H new ATOM 129 N PRO A 11 8.214 4.898 -4.470 1.00 0.00 N ATOM 130 CA PRO A 11 9.473 4.693 -3.753 1.00 0.00 C ATOM 131 C PRO A 11 9.528 3.312 -3.093 1.00 0.00 C ATOM 132 O PRO A 11 8.516 2.823 -2.597 1.00 0.00 O ATOM 133 CB PRO A 11 9.504 5.818 -2.712 1.00 0.00 C ATOM 134 CG PRO A 11 8.033 6.101 -2.440 1.00 0.00 C ATOM 135 CD PRO A 11 7.454 5.976 -3.844 1.00 0.00 C ATOM 0 HA PRO A 11 10.336 4.723 -4.418 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.026 5.511 -1.806 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.018 6.701 -3.092 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.595 5.383 -1.747 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.875 7.092 -2.014 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.390 5.743 -3.813 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.560 6.908 -4.399 1.00 0.00 H new ATOM 143 N ASN A 12 10.690 2.661 -3.033 1.00 0.00 N ATOM 144 CA ASN A 12 10.787 1.385 -2.321 1.00 0.00 C ATOM 145 C ASN A 12 10.836 1.647 -0.805 1.00 0.00 C ATOM 146 O ASN A 12 11.422 2.637 -0.358 1.00 0.00 O ATOM 147 CB ASN A 12 12.014 0.599 -2.810 1.00 0.00 C ATOM 148 CG ASN A 12 11.964 0.239 -4.287 1.00 0.00 C ATOM 149 OD1 ASN A 12 12.856 0.568 -5.057 1.00 0.00 O ATOM 150 ND2 ASN A 12 10.930 -0.432 -4.744 1.00 0.00 N ATOM 0 H ASN A 12 11.559 2.986 -3.458 1.00 0.00 H new ATOM 0 HA ASN A 12 9.908 0.775 -2.529 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.911 1.188 -2.619 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.104 -0.317 -2.225 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.876 -0.674 -5.733 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.182 -0.710 -4.109 1.00 0.00 H new ATOM 157 N ARG A 13 10.219 0.763 -0.007 1.00 0.00 N ATOM 158 CA ARG A 13 10.110 0.906 1.463 1.00 0.00 C ATOM 159 C ARG A 13 10.819 -0.206 2.239 1.00 0.00 C ATOM 160 O ARG A 13 10.383 -0.609 3.318 1.00 0.00 O ATOM 161 CB ARG A 13 8.627 1.042 1.849 1.00 0.00 C ATOM 162 CG ARG A 13 7.883 2.186 1.148 1.00 0.00 C ATOM 163 CD ARG A 13 8.441 3.580 1.469 1.00 0.00 C ATOM 164 NE ARG A 13 8.301 3.913 2.903 1.00 0.00 N ATOM 165 CZ ARG A 13 7.184 4.216 3.544 1.00 0.00 C ATOM 166 NH1 ARG A 13 6.038 4.340 2.938 1.00 0.00 N ATOM 167 NH2 ARG A 13 7.198 4.388 4.835 1.00 0.00 N ATOM 0 H ARG A 13 9.775 -0.083 -0.363 1.00 0.00 H new ATOM 0 HA ARG A 13 10.638 1.814 1.753 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.119 0.104 1.622 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.558 1.189 2.927 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.926 2.028 0.070 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.832 2.152 1.434 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.493 3.624 1.187 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.919 4.327 0.870 1.00 0.00 H new ATOM 0 HE ARG A 13 9.157 3.909 3.457 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.977 4.202 1.929 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.201 4.575 3.472 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.071 4.289 5.353 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.336 4.622 5.328 1.00 0.00 H new ATOM 181 N GLY A 14 11.886 -0.744 1.648 1.00 0.00 N ATOM 182 CA GLY A 14 12.716 -1.832 2.182 1.00 0.00 C ATOM 183 C GLY A 14 12.001 -3.153 2.491 1.00 0.00 C ATOM 184 O GLY A 14 12.610 -4.007 3.133 1.00 0.00 O ATOM 0 H GLY A 14 12.214 -0.419 0.738 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.513 -2.035 1.467 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.192 -1.480 3.097 1.00 0.00 H new ATOM 188 N ASN A 15 10.754 -3.282 2.005 1.00 0.00 N ATOM 189 CA ASN A 15 9.766 -4.385 2.055 1.00 0.00 C ATOM 190 C ASN A 15 8.414 -4.044 2.741 1.00 0.00 C ATOM 191 O ASN A 15 7.529 -4.899 2.804 1.00 0.00 O ATOM 192 CB ASN A 15 10.340 -5.695 2.639 1.00 0.00 C ATOM 193 CG ASN A 15 10.410 -5.751 4.168 1.00 0.00 C ATOM 194 OD1 ASN A 15 10.315 -4.764 4.886 1.00 0.00 O ATOM 195 ND2 ASN A 15 10.536 -6.927 4.738 1.00 0.00 N ATOM 0 H ASN A 15 10.354 -2.498 1.490 1.00 0.00 H new ATOM 0 HA ASN A 15 9.540 -4.541 1.000 1.00 0.00 H new ATOM 0 HB2 ASN A 15 9.731 -6.528 2.288 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.343 -5.843 2.240 1.00 0.00 H new ATOM 0 HD21 ASN A 15 10.553 -7.002 5.755 1.00 0.00 H new ATOM 0 HD22 ASN A 15 10.617 -7.766 4.164 1.00 0.00 H new ATOM 202 N THR A 16 8.237 -2.832 3.278 1.00 0.00 N ATOM 203 CA THR A 16 7.028 -2.425 4.032 1.00 0.00 C ATOM 204 C THR A 16 5.764 -2.395 3.157 1.00 0.00 C ATOM 205 O THR A 16 5.702 -1.595 2.228 1.00 0.00 O ATOM 206 CB THR A 16 7.257 -1.040 4.668 1.00 0.00 C ATOM 207 OG1 THR A 16 8.385 -1.058 5.520 1.00 0.00 O ATOM 208 CG2 THR A 16 6.083 -0.539 5.503 1.00 0.00 C ATOM 0 H THR A 16 8.934 -2.091 3.205 1.00 0.00 H new ATOM 0 HA THR A 16 6.862 -3.174 4.806 1.00 0.00 H new ATOM 0 HB THR A 16 7.395 -0.370 3.820 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.198 -0.924 4.989 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.322 0.441 5.916 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.196 -0.461 4.874 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.891 -1.238 6.317 1.00 0.00 H new ATOM 216 N CYS A 17 4.745 -3.223 3.450 1.00 0.00 N ATOM 217 CA CYS A 17 3.483 -3.294 2.703 1.00 0.00 C ATOM 218 C CYS A 17 2.292 -3.023 3.646 1.00 0.00 C ATOM 219 O CYS A 17 1.981 -3.852 4.504 1.00 0.00 O ATOM 220 CB CYS A 17 3.369 -4.675 2.037 1.00 0.00 C ATOM 221 SG CYS A 17 4.768 -5.004 0.927 1.00 0.00 S ATOM 0 H CYS A 17 4.781 -3.876 4.233 1.00 0.00 H new ATOM 0 HA CYS A 17 3.468 -2.530 1.925 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.325 -5.447 2.805 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.437 -4.732 1.474 1.00 0.00 H new ATOM 0 HG CYS A 17 5.878 -4.953 1.601 1.00 0.00 H new ATOM 227 N LEU A 18 1.649 -1.857 3.502 1.00 0.00 N ATOM 228 CA LEU A 18 0.551 -1.361 4.352 1.00 0.00 C ATOM 229 C LEU A 18 -0.759 -1.135 3.588 1.00 0.00 C ATOM 230 O LEU A 18 -0.772 -0.705 2.435 1.00 0.00 O ATOM 231 CB LEU A 18 0.994 -0.038 5.019 1.00 0.00 C ATOM 232 CG LEU A 18 1.695 -0.153 6.386 1.00 0.00 C ATOM 233 CD1 LEU A 18 2.782 -1.220 6.445 1.00 0.00 C ATOM 234 CD2 LEU A 18 2.321 1.194 6.750 1.00 0.00 C ATOM 0 H LEU A 18 1.888 -1.202 2.758 1.00 0.00 H new ATOM 0 HA LEU A 18 0.347 -2.131 5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.666 0.480 4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.114 0.593 5.140 1.00 0.00 H new ATOM 0 HG LEU A 18 0.921 -0.449 7.094 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.224 -1.234 7.441 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.347 -2.195 6.227 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.554 -0.994 5.709 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.818 1.115 7.717 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.050 1.474 5.989 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.542 1.955 6.803 1.00 0.00 H new ATOM 246 N GLU A 19 -1.866 -1.373 4.291 1.00 0.00 N ATOM 247 CA GLU A 19 -3.245 -1.163 3.840 1.00 0.00 C ATOM 248 C GLU A 19 -3.816 0.205 4.252 1.00 0.00 C ATOM 249 O GLU A 19 -4.938 0.530 3.863 1.00 0.00 O ATOM 250 CB GLU A 19 -4.165 -2.271 4.392 1.00 0.00 C ATOM 251 CG GLU A 19 -4.434 -2.257 5.906 1.00 0.00 C ATOM 252 CD GLU A 19 -3.261 -2.805 6.746 1.00 0.00 C ATOM 253 OE1 GLU A 19 -2.278 -2.059 6.973 1.00 0.00 O ATOM 254 OE2 GLU A 19 -3.327 -3.972 7.199 1.00 0.00 O ATOM 0 H GLU A 19 -1.824 -1.737 5.243 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.214 -1.195 2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.123 -2.206 3.876 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.728 -3.236 4.133 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.648 -1.235 6.219 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.326 -2.848 6.114 1.00 0.00 H new ATOM 261 N ASN A 20 -3.089 0.989 5.057 1.00 0.00 N ATOM 262 CA ASN A 20 -3.521 2.304 5.550 1.00 0.00 C ATOM 263 C ASN A 20 -2.341 3.272 5.767 1.00 0.00 C ATOM 264 O ASN A 20 -1.223 2.848 6.073 1.00 0.00 O ATOM 265 CB ASN A 20 -4.295 2.129 6.877 1.00 0.00 C ATOM 266 CG ASN A 20 -5.769 1.818 6.689 1.00 0.00 C ATOM 267 OD1 ASN A 20 -6.479 2.470 5.933 1.00 0.00 O ATOM 268 ND2 ASN A 20 -6.293 0.836 7.386 1.00 0.00 N ATOM 0 H ASN A 20 -2.163 0.722 5.392 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.164 2.742 4.786 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.834 1.326 7.453 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.198 3.041 7.467 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.286 0.620 7.296 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.707 0.289 8.017 1.00 0.00 H new ATOM 275 N GLY A 21 -2.615 4.579 5.652 1.00 0.00 N ATOM 276 CA GLY A 21 -1.658 5.676 5.869 1.00 0.00 C ATOM 277 C GLY A 21 -1.477 6.606 4.661 1.00 0.00 C ATOM 278 O GLY A 21 -2.155 6.458 3.644 1.00 0.00 O ATOM 0 H GLY A 21 -3.543 4.915 5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.990 6.268 6.722 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.690 5.251 6.133 1.00 0.00 H new ATOM 282 N SER A 22 -0.549 7.561 4.795 1.00 0.00 N ATOM 283 CA SER A 22 -0.120 8.543 3.778 1.00 0.00 C ATOM 284 C SER A 22 1.339 8.925 4.061 1.00 0.00 C ATOM 285 O SER A 22 1.649 9.432 5.142 1.00 0.00 O ATOM 286 CB SER A 22 -0.977 9.817 3.806 1.00 0.00 C ATOM 287 OG SER A 22 -2.291 9.574 3.325 1.00 0.00 O ATOM 0 H SER A 22 -0.042 7.681 5.672 1.00 0.00 H new ATOM 0 HA SER A 22 -0.233 8.086 2.795 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.027 10.200 4.825 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.503 10.588 3.199 1.00 0.00 H new ATOM 0 HG SER A 22 -2.443 8.608 3.262 1.00 0.00 H new ATOM 293 N PHE A 23 2.256 8.638 3.133 1.00 0.00 N ATOM 294 CA PHE A 23 3.704 8.841 3.305 1.00 0.00 C ATOM 295 C PHE A 23 4.184 10.300 3.220 1.00 0.00 C ATOM 296 O PHE A 23 4.752 10.745 2.221 1.00 0.00 O ATOM 297 CB PHE A 23 4.442 7.899 2.347 1.00 0.00 C ATOM 298 CG PHE A 23 5.941 7.714 2.544 1.00 0.00 C ATOM 299 CD1 PHE A 23 6.552 7.843 3.809 1.00 0.00 C ATOM 300 CD2 PHE A 23 6.729 7.329 1.442 1.00 0.00 C ATOM 301 CE1 PHE A 23 7.931 7.614 3.954 1.00 0.00 C ATOM 302 CE2 PHE A 23 8.112 7.120 1.583 1.00 0.00 C ATOM 303 CZ PHE A 23 8.719 7.290 2.838 1.00 0.00 C ATOM 0 H PHE A 23 2.012 8.250 2.222 1.00 0.00 H new ATOM 0 HA PHE A 23 3.950 8.587 4.336 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.972 6.918 2.415 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.280 8.261 1.332 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.958 8.118 4.668 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.265 7.193 0.476 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.387 7.688 4.930 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.706 6.830 0.729 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.787 7.172 2.944 1.00 0.00 H new ATOM 313 N LEU A 24 3.958 11.063 4.292 1.00 0.00 N ATOM 314 CA LEU A 24 4.304 12.486 4.399 1.00 0.00 C ATOM 315 C LEU A 24 5.768 12.832 4.050 1.00 0.00 C ATOM 316 O LEU A 24 6.039 13.918 3.535 1.00 0.00 O ATOM 317 CB LEU A 24 3.946 13.009 5.804 1.00 0.00 C ATOM 318 CG LEU A 24 2.506 12.744 6.292 1.00 0.00 C ATOM 319 CD1 LEU A 24 2.271 13.471 7.616 1.00 0.00 C ATOM 320 CD2 LEU A 24 1.435 13.198 5.300 1.00 0.00 C ATOM 0 H LEU A 24 3.516 10.699 5.136 1.00 0.00 H new ATOM 0 HA LEU A 24 3.708 12.990 3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.636 12.563 6.520 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.120 14.085 5.822 1.00 0.00 H new ATOM 0 HG LEU A 24 2.416 11.664 6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.254 13.283 7.959 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.978 13.107 8.361 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.413 14.542 7.473 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.447 12.982 5.707 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.530 14.270 5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.564 12.666 4.357 1.00 0.00 H new ATOM 332 N LEU A 25 6.706 11.910 4.290 1.00 0.00 N ATOM 333 CA LEU A 25 8.134 12.058 3.955 1.00 0.00 C ATOM 334 C LEU A 25 8.418 12.033 2.437 1.00 0.00 C ATOM 335 O LEU A 25 9.481 12.489 2.013 1.00 0.00 O ATOM 336 CB LEU A 25 8.937 10.965 4.687 1.00 0.00 C ATOM 337 CG LEU A 25 9.156 11.230 6.189 1.00 0.00 C ATOM 338 CD1 LEU A 25 9.783 9.998 6.842 1.00 0.00 C ATOM 339 CD2 LEU A 25 10.083 12.421 6.449 1.00 0.00 C ATOM 0 H LEU A 25 6.492 11.017 4.733 1.00 0.00 H new ATOM 0 HA LEU A 25 8.450 13.046 4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.420 10.013 4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.909 10.861 4.204 1.00 0.00 H new ATOM 0 HG LEU A 25 8.177 11.454 6.613 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.937 10.188 7.904 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.118 9.143 6.719 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.741 9.784 6.369 1.00 0.00 H new ATOM 0 HD21 LEU A 25 10.202 12.562 7.523 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.057 12.229 5.998 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.651 13.321 6.011 1.00 0.00 H new ATOM 351 N ASN A 26 7.473 11.560 1.613 1.00 0.00 N ATOM 352 CA ASN A 26 7.561 11.561 0.147 1.00 0.00 C ATOM 353 C ASN A 26 6.602 12.611 -0.436 1.00 0.00 C ATOM 354 O ASN A 26 6.904 13.193 -1.471 1.00 0.00 O ATOM 355 CB ASN A 26 7.249 10.154 -0.375 1.00 0.00 C ATOM 356 CG ASN A 26 7.612 9.976 -1.842 1.00 0.00 C ATOM 357 OD1 ASN A 26 8.688 10.343 -2.290 1.00 0.00 O ATOM 358 ND2 ASN A 26 6.775 9.357 -2.631 1.00 0.00 N ATOM 0 H ASN A 26 6.603 11.155 1.958 1.00 0.00 H new ATOM 0 HA ASN A 26 8.569 11.828 -0.169 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.793 9.421 0.221 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.187 9.949 -0.241 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.024 9.186 -3.605 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.873 9.044 -2.273 1.00 0.00 H new ATOM 365 N PHE A 27 5.472 12.893 0.222 1.00 0.00 N ATOM 366 CA PHE A 27 4.550 13.956 -0.199 1.00 0.00 C ATOM 367 C PHE A 27 5.211 15.328 -0.010 1.00 0.00 C ATOM 368 O PHE A 27 5.434 15.782 1.116 1.00 0.00 O ATOM 369 CB PHE A 27 3.226 13.894 0.574 1.00 0.00 C ATOM 370 CG PHE A 27 2.192 14.946 0.178 1.00 0.00 C ATOM 371 CD1 PHE A 27 1.703 15.024 -1.143 1.00 0.00 C ATOM 372 CD2 PHE A 27 1.681 15.829 1.150 1.00 0.00 C ATOM 373 CE1 PHE A 27 0.694 15.949 -1.489 1.00 0.00 C ATOM 374 CE2 PHE A 27 0.667 16.743 0.811 1.00 0.00 C ATOM 375 CZ PHE A 27 0.162 16.791 -0.499 1.00 0.00 C ATOM 0 H PHE A 27 5.171 12.393 1.059 1.00 0.00 H new ATOM 0 HA PHE A 27 4.324 13.806 -1.255 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.788 12.906 0.434 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.439 14.000 1.638 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.106 14.367 -1.900 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.069 15.804 2.158 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.335 16.008 -2.506 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.274 17.412 1.562 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.636 17.476 -0.745 1.00 0.00 H new ATOM 385 N THR A 28 5.505 16.011 -1.111 1.00 0.00 N ATOM 386 CA THR A 28 6.128 17.353 -1.126 1.00 0.00 C ATOM 387 C THR A 28 5.092 18.481 -1.186 1.00 0.00 C ATOM 388 O THR A 28 5.443 19.649 -1.369 1.00 0.00 O ATOM 389 CB THR A 28 7.151 17.471 -2.273 1.00 0.00 C ATOM 390 OG1 THR A 28 6.676 16.920 -3.486 1.00 0.00 O ATOM 391 CG2 THR A 28 8.417 16.705 -1.898 1.00 0.00 C ATOM 0 H THR A 28 5.317 15.649 -2.046 1.00 0.00 H new ATOM 0 HA THR A 28 6.658 17.469 -0.181 1.00 0.00 H new ATOM 0 HB THR A 28 7.338 18.535 -2.418 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.360 17.021 -4.181 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.144 16.785 -2.706 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.840 17.126 -0.986 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.172 15.656 -1.733 1.00 0.00 H new ATOM 399 N GLY A 29 3.811 18.134 -1.035 1.00 0.00 N ATOM 400 CA GLY A 29 2.676 19.044 -1.140 1.00 0.00 C ATOM 401 C GLY A 29 2.144 19.051 -2.577 1.00 0.00 C ATOM 402 O GLY A 29 2.910 18.836 -3.522 1.00 0.00 O ATOM 0 H GLY A 29 3.530 17.176 -0.829 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.888 18.737 -0.453 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.978 20.050 -0.850 1.00 0.00 H new ATOM 406 N CYS A 30 0.842 19.293 -2.725 1.00 0.00 N ATOM 407 CA CYS A 30 0.112 19.303 -3.985 1.00 0.00 C ATOM 408 C CYS A 30 0.715 20.225 -5.050 1.00 0.00 C ATOM 409 O CYS A 30 1.562 21.090 -4.787 1.00 0.00 O ATOM 410 CB CYS A 30 -1.360 19.681 -3.702 1.00 0.00 C ATOM 411 SG CYS A 30 -2.509 19.172 -5.048 1.00 0.00 S ATOM 0 H CYS A 30 0.241 19.497 -1.927 1.00 0.00 H new ATOM 0 HA CYS A 30 0.181 18.300 -4.407 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.675 19.215 -2.768 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.431 20.759 -3.560 1.00 0.00 H new ATOM 416 N ALA A 31 0.192 20.086 -6.256 1.00 0.00 N ATOM 417 CA ALA A 31 0.475 20.964 -7.381 1.00 0.00 C ATOM 418 C ALA A 31 -0.806 21.493 -8.056 1.00 0.00 C ATOM 419 O ALA A 31 -0.715 22.471 -8.809 1.00 0.00 O ATOM 420 CB ALA A 31 1.467 20.330 -8.356 1.00 0.00 C ATOM 0 H ALA A 31 -0.461 19.337 -6.487 1.00 0.00 H new ATOM 0 HA ALA A 31 0.969 21.851 -6.984 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.653 21.016 -9.183 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.404 20.122 -7.839 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.052 19.399 -8.743 1.00 0.00 H new ATOM 426 N VAL A 32 -1.997 20.950 -7.753 1.00 0.00 N ATOM 427 CA VAL A 32 -3.266 21.522 -8.228 1.00 0.00 C ATOM 428 C VAL A 32 -3.555 22.818 -7.450 1.00 0.00 C ATOM 429 O VAL A 32 -4.063 23.780 -8.038 1.00 0.00 O ATOM 430 CB VAL A 32 -4.448 20.521 -8.123 1.00 0.00 C ATOM 431 CG1 VAL A 32 -5.842 21.156 -8.267 1.00 0.00 C ATOM 432 CG2 VAL A 32 -4.382 19.462 -9.234 1.00 0.00 C ATOM 0 H VAL A 32 -2.106 20.113 -7.180 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.164 21.749 -9.289 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.333 20.104 -7.122 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.605 20.382 -8.180 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.987 21.898 -7.482 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.923 21.638 -9.241 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.223 18.776 -9.133 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.428 19.952 -10.207 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.448 18.906 -9.151 1.00 0.00 H new ATOM 442 N CYS A 33 -3.195 22.866 -6.160 1.00 0.00 N ATOM 443 CA CYS A 33 -3.397 23.998 -5.249 1.00 0.00 C ATOM 444 C CYS A 33 -2.156 24.442 -4.432 1.00 0.00 C ATOM 445 O CYS A 33 -2.141 25.570 -3.921 1.00 0.00 O ATOM 446 CB CYS A 33 -4.526 23.625 -4.290 1.00 0.00 C ATOM 447 SG CYS A 33 -3.994 22.272 -3.188 1.00 0.00 S ATOM 0 H CYS A 33 -2.734 22.079 -5.703 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.631 24.857 -5.878 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.813 24.494 -3.698 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.407 23.319 -4.855 1.00 0.00 H new ATOM 452 N SER A 34 -1.121 23.594 -4.319 1.00 0.00 N ATOM 453 CA SER A 34 0.146 23.842 -3.597 1.00 0.00 C ATOM 454 C SER A 34 0.110 23.621 -2.060 1.00 0.00 C ATOM 455 O SER A 34 1.011 24.081 -1.348 1.00 0.00 O ATOM 456 CB SER A 34 0.755 25.204 -3.991 1.00 0.00 C ATOM 457 OG SER A 34 2.174 25.192 -3.903 1.00 0.00 O ATOM 0 H SER A 34 -1.142 22.669 -4.749 1.00 0.00 H new ATOM 0 HA SER A 34 0.815 23.052 -3.937 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.456 25.455 -5.009 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.357 25.982 -3.340 1.00 0.00 H new ATOM 0 HG SER A 34 2.445 24.813 -3.041 1.00 0.00 H new ATOM 463 N LYS A 35 -0.891 22.920 -1.499 1.00 0.00 N ATOM 464 CA LYS A 35 -0.986 22.642 -0.041 1.00 0.00 C ATOM 465 C LYS A 35 -0.144 21.432 0.393 1.00 0.00 C ATOM 466 O LYS A 35 -0.006 20.467 -0.354 1.00 0.00 O ATOM 467 CB LYS A 35 -2.455 22.395 0.343 1.00 0.00 C ATOM 468 CG LYS A 35 -3.259 23.705 0.434 1.00 0.00 C ATOM 469 CD LYS A 35 -3.756 23.955 1.860 1.00 0.00 C ATOM 470 CE LYS A 35 -4.414 25.337 1.955 1.00 0.00 C ATOM 471 NZ LYS A 35 -4.832 25.652 3.346 1.00 0.00 N ATOM 0 H LYS A 35 -1.662 22.526 -2.038 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.591 23.517 0.475 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.916 21.738 -0.394 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.496 21.878 1.301 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.636 24.540 0.112 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.109 23.661 -0.247 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.471 23.183 2.145 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.923 23.892 2.560 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.716 26.097 1.604 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.282 25.373 1.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.685 26.247 3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.038 24.769 3.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -4.066 26.161 3.832 1.00 0.00 H new ATOM 485 N ARG A 36 0.360 21.436 1.635 1.00 0.00 N ATOM 486 CA ARG A 36 1.108 20.322 2.267 1.00 0.00 C ATOM 487 C ARG A 36 0.449 19.937 3.602 1.00 0.00 C ATOM 488 O ARG A 36 -0.342 20.714 4.125 1.00 0.00 O ATOM 489 CB ARG A 36 2.604 20.659 2.379 1.00 0.00 C ATOM 490 CG ARG A 36 3.426 19.394 2.686 1.00 0.00 C ATOM 491 CD ARG A 36 4.895 19.549 2.310 1.00 0.00 C ATOM 492 NE ARG A 36 5.607 18.267 2.502 1.00 0.00 N ATOM 493 CZ ARG A 36 6.600 17.988 3.323 1.00 0.00 C ATOM 494 NH1 ARG A 36 7.178 18.888 4.067 1.00 0.00 N ATOM 495 NH2 ARG A 36 7.029 16.764 3.407 1.00 0.00 N ATOM 0 H ARG A 36 0.259 22.240 2.255 1.00 0.00 H new ATOM 0 HA ARG A 36 1.059 19.436 1.634 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.951 21.107 1.448 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.757 21.398 3.165 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.348 19.163 3.748 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.002 18.549 2.144 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.981 19.870 1.272 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.355 20.325 2.922 1.00 0.00 H new ATOM 0 HE ARG A 36 5.286 17.493 1.920 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.865 19.858 4.029 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.943 18.622 4.687 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.598 16.033 2.842 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.797 16.535 4.038 1.00 0.00 H new ATOM 509 N ASP A 37 0.728 18.734 4.121 1.00 0.00 N ATOM 510 CA ASP A 37 0.115 18.142 5.335 1.00 0.00 C ATOM 511 C ASP A 37 -1.432 18.123 5.330 1.00 0.00 C ATOM 512 O ASP A 37 -2.107 18.104 6.362 1.00 0.00 O ATOM 513 CB ASP A 37 0.756 18.670 6.626 1.00 0.00 C ATOM 514 CG ASP A 37 0.546 20.162 6.953 1.00 0.00 C ATOM 515 OD1 ASP A 37 -0.478 20.520 7.585 1.00 0.00 O ATOM 516 OD2 ASP A 37 1.463 20.972 6.672 1.00 0.00 O ATOM 0 H ASP A 37 1.416 18.114 3.694 1.00 0.00 H new ATOM 0 HA ASP A 37 0.361 17.080 5.307 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.371 18.083 7.460 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.828 18.483 6.573 1.00 0.00 H new ATOM 521 N PHE A 38 -1.976 18.108 4.116 1.00 0.00 N ATOM 522 CA PHE A 38 -3.387 18.136 3.743 1.00 0.00 C ATOM 523 C PHE A 38 -3.758 16.929 2.875 1.00 0.00 C ATOM 524 O PHE A 38 -3.555 16.928 1.662 1.00 0.00 O ATOM 525 CB PHE A 38 -3.719 19.459 3.028 1.00 0.00 C ATOM 526 CG PHE A 38 -4.176 20.599 3.926 1.00 0.00 C ATOM 527 CD1 PHE A 38 -3.424 21.026 5.038 1.00 0.00 C ATOM 528 CD2 PHE A 38 -5.402 21.231 3.646 1.00 0.00 C ATOM 529 CE1 PHE A 38 -3.879 22.093 5.833 1.00 0.00 C ATOM 530 CE2 PHE A 38 -5.856 22.303 4.433 1.00 0.00 C ATOM 531 CZ PHE A 38 -5.094 22.734 5.532 1.00 0.00 C ATOM 0 H PHE A 38 -1.381 18.072 3.288 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.984 18.075 4.653 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.836 19.785 2.479 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.499 19.266 2.291 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.495 20.532 5.281 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.001 20.888 2.816 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.293 22.422 6.678 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.788 22.794 4.194 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.440 23.554 6.143 1.00 0.00 H new ATOM 541 N MET A 39 -4.345 15.910 3.502 1.00 0.00 N ATOM 542 CA MET A 39 -4.836 14.708 2.812 1.00 0.00 C ATOM 543 C MET A 39 -5.859 13.886 3.609 1.00 0.00 C ATOM 544 O MET A 39 -5.824 13.812 4.839 1.00 0.00 O ATOM 545 CB MET A 39 -3.700 13.784 2.328 1.00 0.00 C ATOM 546 CG MET A 39 -2.605 13.504 3.370 1.00 0.00 C ATOM 547 SD MET A 39 -0.946 14.097 2.938 1.00 0.00 S ATOM 548 CE MET A 39 -0.617 13.100 1.457 1.00 0.00 C ATOM 0 H MET A 39 -4.496 15.891 4.511 1.00 0.00 H new ATOM 0 HA MET A 39 -5.356 15.116 1.945 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.133 12.834 2.013 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.238 14.231 1.448 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.901 13.961 4.314 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.555 12.428 3.539 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.456 12.933 1.362 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.127 12.141 1.544 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.982 13.627 0.575 1.00 0.00 H new ATOM 558 N LEU A 40 -6.739 13.247 2.841 1.00 0.00 N ATOM 559 CA LEU A 40 -7.844 12.350 3.187 1.00 0.00 C ATOM 560 C LEU A 40 -7.704 11.042 2.385 1.00 0.00 C ATOM 561 O LEU A 40 -6.970 10.980 1.395 1.00 0.00 O ATOM 562 CB LEU A 40 -9.174 13.047 2.803 1.00 0.00 C ATOM 563 CG LEU A 40 -9.879 13.932 3.847 1.00 0.00 C ATOM 564 CD1 LEU A 40 -10.859 13.106 4.683 1.00 0.00 C ATOM 565 CD2 LEU A 40 -8.957 14.638 4.823 1.00 0.00 C ATOM 0 H LEU A 40 -6.688 13.361 1.829 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.830 12.124 4.253 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.981 13.663 1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.877 12.271 2.500 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.378 14.693 3.247 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.346 13.751 5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.612 12.664 4.030 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.318 12.314 5.201 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.549 15.235 5.516 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.382 13.898 5.381 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.276 15.288 4.274 1.00 0.00 H new ATOM 577 N ILE A 41 -8.459 10.017 2.778 1.00 0.00 N ATOM 578 CA ILE A 41 -8.558 8.720 2.101 1.00 0.00 C ATOM 579 C ILE A 41 -10.046 8.450 1.874 1.00 0.00 C ATOM 580 O ILE A 41 -10.864 8.623 2.781 1.00 0.00 O ATOM 581 CB ILE A 41 -7.902 7.603 2.944 1.00 0.00 C ATOM 582 CG1 ILE A 41 -6.370 7.801 3.021 1.00 0.00 C ATOM 583 CG2 ILE A 41 -8.252 6.207 2.379 1.00 0.00 C ATOM 584 CD1 ILE A 41 -5.678 6.899 4.052 1.00 0.00 C ATOM 0 H ILE A 41 -9.044 10.068 3.612 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.025 8.736 1.150 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.301 7.664 3.956 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.939 7.610 2.038 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.160 8.842 3.265 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.779 5.438 2.990 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.333 6.069 2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.892 6.129 1.353 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.606 7.096 4.047 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.080 7.105 5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.856 5.854 3.799 1.00 0.00 H new ATOM 596 N THR A 42 -10.397 8.011 0.667 1.00 0.00 N ATOM 597 CA THR A 42 -11.776 7.663 0.295 1.00 0.00 C ATOM 598 C THR A 42 -11.798 6.563 -0.760 1.00 0.00 C ATOM 599 O THR A 42 -10.744 6.144 -1.247 1.00 0.00 O ATOM 600 CB THR A 42 -12.558 8.908 -0.178 1.00 0.00 C ATOM 601 OG1 THR A 42 -13.921 8.723 0.140 1.00 0.00 O ATOM 602 CG2 THR A 42 -12.490 9.201 -1.680 1.00 0.00 C ATOM 0 H THR A 42 -9.728 7.884 -0.092 1.00 0.00 H new ATOM 0 HA THR A 42 -12.274 7.279 1.185 1.00 0.00 H new ATOM 0 HB THR A 42 -12.089 9.751 0.330 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.434 9.505 -0.152 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.073 10.095 -1.903 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.452 9.362 -1.973 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.897 8.355 -2.234 1.00 0.00 H new ATOM 610 N ASN A 43 -13.005 6.128 -1.147 1.00 0.00 N ATOM 611 CA ASN A 43 -13.237 5.169 -2.234 1.00 0.00 C ATOM 612 C ASN A 43 -12.507 3.812 -2.029 1.00 0.00 C ATOM 613 O ASN A 43 -12.290 3.042 -2.965 1.00 0.00 O ATOM 614 CB ASN A 43 -12.949 5.965 -3.529 1.00 0.00 C ATOM 615 CG ASN A 43 -13.033 5.188 -4.827 1.00 0.00 C ATOM 616 OD1 ASN A 43 -14.059 4.622 -5.184 1.00 0.00 O ATOM 617 ND2 ASN A 43 -11.966 5.181 -5.588 1.00 0.00 N ATOM 0 H ASN A 43 -13.867 6.441 -0.702 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.261 4.798 -2.278 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.651 6.797 -3.582 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.950 6.395 -3.452 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.984 4.701 -6.488 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.117 5.656 -5.281 1.00 0.00 H new ATOM 624 N LYS A 44 -12.135 3.523 -0.771 1.00 0.00 N ATOM 625 CA LYS A 44 -11.450 2.315 -0.306 1.00 0.00 C ATOM 626 C LYS A 44 -12.262 1.039 -0.552 1.00 0.00 C ATOM 627 O LYS A 44 -13.318 0.832 0.052 1.00 0.00 O ATOM 628 CB LYS A 44 -11.142 2.476 1.192 1.00 0.00 C ATOM 629 CG LYS A 44 -10.133 1.435 1.704 1.00 0.00 C ATOM 630 CD LYS A 44 -9.930 1.530 3.222 1.00 0.00 C ATOM 631 CE LYS A 44 -8.656 0.786 3.643 1.00 0.00 C ATOM 632 NZ LYS A 44 -7.441 1.615 3.428 1.00 0.00 N ATOM 0 H LYS A 44 -12.319 4.172 -0.006 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.529 2.203 -0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.749 3.477 1.373 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.068 2.389 1.761 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.482 0.435 1.447 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.177 1.579 1.201 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.862 2.576 3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.792 1.106 3.737 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.727 0.509 4.695 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.570 -0.140 3.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.638 0.999 3.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.609 2.281 2.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.225 2.146 4.296 1.00 0.00 H new ATOM 646 N SER A 45 -11.736 0.178 -1.412 1.00 0.00 N ATOM 647 CA SER A 45 -12.271 -1.144 -1.735 1.00 0.00 C ATOM 648 C SER A 45 -11.416 -2.264 -1.138 1.00 0.00 C ATOM 649 O SER A 45 -10.217 -2.104 -0.896 1.00 0.00 O ATOM 650 CB SER A 45 -12.374 -1.306 -3.256 1.00 0.00 C ATOM 651 OG SER A 45 -13.425 -0.499 -3.768 1.00 0.00 O ATOM 0 H SER A 45 -10.883 0.390 -1.930 1.00 0.00 H new ATOM 0 HA SER A 45 -13.265 -1.221 -1.293 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.430 -1.025 -3.723 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.555 -2.352 -3.506 1.00 0.00 H new ATOM 0 HG SER A 45 -13.479 -0.610 -4.740 1.00 0.00 H new ATOM 657 N LEU A 46 -12.041 -3.424 -0.940 1.00 0.00 N ATOM 658 CA LEU A 46 -11.424 -4.646 -0.426 1.00 0.00 C ATOM 659 C LEU A 46 -11.964 -5.861 -1.194 1.00 0.00 C ATOM 660 O LEU A 46 -13.161 -5.947 -1.485 1.00 0.00 O ATOM 661 CB LEU A 46 -11.632 -4.750 1.096 1.00 0.00 C ATOM 662 CG LEU A 46 -11.197 -6.111 1.699 1.00 0.00 C ATOM 663 CD1 LEU A 46 -10.591 -5.921 3.092 1.00 0.00 C ATOM 664 CD2 LEU A 46 -12.361 -7.096 1.848 1.00 0.00 C ATOM 0 H LEU A 46 -13.034 -3.543 -1.142 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.346 -4.619 -0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.073 -3.952 1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.686 -4.584 1.321 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.467 -6.517 0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.294 -6.889 3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.717 -5.273 3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.330 -5.466 3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.995 -8.030 2.275 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.118 -6.668 2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.800 -7.292 0.870 1.00 0.00 H new ATOM 676 N LYS A 47 -11.063 -6.784 -1.534 1.00 0.00 N ATOM 677 CA LYS A 47 -11.315 -8.013 -2.291 1.00 0.00 C ATOM 678 C LYS A 47 -10.680 -9.214 -1.611 1.00 0.00 C ATOM 679 O LYS A 47 -9.622 -9.085 -1.003 1.00 0.00 O ATOM 680 CB LYS A 47 -10.772 -7.858 -3.717 1.00 0.00 C ATOM 681 CG LYS A 47 -11.721 -8.419 -4.779 1.00 0.00 C ATOM 682 CD LYS A 47 -11.240 -8.063 -6.194 1.00 0.00 C ATOM 683 CE LYS A 47 -12.219 -8.549 -7.273 1.00 0.00 C ATOM 684 NZ LYS A 47 -12.064 -9.996 -7.579 1.00 0.00 N ATOM 0 H LYS A 47 -10.081 -6.689 -1.274 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.391 -8.183 -2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.592 -6.802 -3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.810 -8.366 -3.792 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.788 -9.502 -4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.724 -8.022 -4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.118 -6.983 -6.275 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.260 -8.508 -6.367 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.240 -8.359 -6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.065 -7.971 -8.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.813 -10.294 -8.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.134 -10.161 -8.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.136 -10.546 -6.700 1.00 0.00 H new ATOM 698 N GLU A 48 -11.303 -10.380 -1.710 1.00 0.00 N ATOM 699 CA GLU A 48 -10.731 -11.613 -1.150 1.00 0.00 C ATOM 700 C GLU A 48 -10.937 -12.796 -2.110 1.00 0.00 C ATOM 701 O GLU A 48 -12.070 -13.210 -2.367 1.00 0.00 O ATOM 702 CB GLU A 48 -11.385 -11.918 0.211 1.00 0.00 C ATOM 703 CG GLU A 48 -11.185 -10.842 1.285 1.00 0.00 C ATOM 704 CD GLU A 48 -11.837 -11.286 2.611 1.00 0.00 C ATOM 705 OE1 GLU A 48 -11.194 -12.023 3.397 1.00 0.00 O ATOM 706 OE2 GLU A 48 -13.008 -10.913 2.873 1.00 0.00 O ATOM 0 H GLU A 48 -12.204 -10.506 -2.171 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.660 -11.467 -1.012 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.455 -12.062 0.058 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.986 -12.861 0.585 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.121 -10.663 1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.623 -9.901 0.953 1.00 0.00 H new ATOM 713 N GLU A 49 -9.840 -13.366 -2.621 1.00 0.00 N ATOM 714 CA GLU A 49 -9.831 -14.564 -3.474 1.00 0.00 C ATOM 715 C GLU A 49 -9.053 -15.735 -2.859 1.00 0.00 C ATOM 716 O GLU A 49 -7.842 -15.640 -2.693 1.00 0.00 O ATOM 717 CB GLU A 49 -9.264 -14.254 -4.869 1.00 0.00 C ATOM 718 CG GLU A 49 -9.920 -13.075 -5.608 1.00 0.00 C ATOM 719 CD GLU A 49 -11.440 -13.216 -5.828 1.00 0.00 C ATOM 720 OE1 GLU A 49 -11.945 -14.348 -6.031 1.00 0.00 O ATOM 721 OE2 GLU A 49 -12.128 -12.166 -5.872 1.00 0.00 O ATOM 0 H GLU A 49 -8.905 -12.997 -2.448 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.874 -14.868 -3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.198 -14.049 -4.771 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.362 -15.146 -5.487 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.732 -12.161 -5.045 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.436 -12.957 -6.578 1.00 0.00 H new ATOM 728 N ASP A 50 -9.685 -16.886 -2.647 1.00 0.00 N ATOM 729 CA ASP A 50 -9.051 -18.160 -2.225 1.00 0.00 C ATOM 730 C ASP A 50 -7.998 -18.119 -1.076 1.00 0.00 C ATOM 731 O ASP A 50 -7.165 -19.020 -0.944 1.00 0.00 O ATOM 732 CB ASP A 50 -8.476 -18.798 -3.506 1.00 0.00 C ATOM 733 CG ASP A 50 -8.207 -20.311 -3.380 1.00 0.00 C ATOM 734 OD1 ASP A 50 -9.095 -21.051 -2.886 1.00 0.00 O ATOM 735 OD2 ASP A 50 -7.135 -20.780 -3.836 1.00 0.00 O ATOM 0 H ASP A 50 -10.694 -16.975 -2.766 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.833 -18.753 -1.749 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.171 -18.629 -4.328 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.546 -18.293 -3.766 1.00 0.00 H new ATOM 740 N GLY A 51 -8.007 -17.067 -0.255 1.00 0.00 N ATOM 741 CA GLY A 51 -7.058 -16.810 0.848 1.00 0.00 C ATOM 742 C GLY A 51 -6.265 -15.505 0.675 1.00 0.00 C ATOM 743 O GLY A 51 -5.779 -14.943 1.658 1.00 0.00 O ATOM 0 H GLY A 51 -8.708 -16.331 -0.339 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.607 -16.772 1.789 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.360 -17.644 0.920 1.00 0.00 H new ATOM 747 N GLU A 52 -6.167 -14.992 -0.553 1.00 0.00 N ATOM 748 CA GLU A 52 -5.556 -13.703 -0.884 1.00 0.00 C ATOM 749 C GLU A 52 -6.507 -12.577 -0.459 1.00 0.00 C ATOM 750 O GLU A 52 -7.709 -12.647 -0.710 1.00 0.00 O ATOM 751 CB GLU A 52 -5.259 -13.631 -2.402 1.00 0.00 C ATOM 752 CG GLU A 52 -4.710 -12.283 -2.917 1.00 0.00 C ATOM 753 CD GLU A 52 -4.526 -12.231 -4.453 1.00 0.00 C ATOM 754 OE1 GLU A 52 -4.979 -13.144 -5.190 1.00 0.00 O ATOM 755 OE2 GLU A 52 -3.939 -11.239 -4.954 1.00 0.00 O ATOM 0 H GLU A 52 -6.524 -15.481 -1.374 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.612 -13.592 -0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.541 -14.413 -2.650 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.177 -13.858 -2.944 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.388 -11.485 -2.614 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.751 -12.085 -2.438 1.00 0.00 H new ATOM 762 N GLU A 53 -5.968 -11.518 0.139 1.00 0.00 N ATOM 763 CA GLU A 53 -6.690 -10.314 0.550 1.00 0.00 C ATOM 764 C GLU A 53 -6.122 -9.116 -0.213 1.00 0.00 C ATOM 765 O GLU A 53 -4.909 -8.914 -0.242 1.00 0.00 O ATOM 766 CB GLU A 53 -6.566 -10.088 2.068 1.00 0.00 C ATOM 767 CG GLU A 53 -7.203 -11.208 2.902 1.00 0.00 C ATOM 768 CD GLU A 53 -7.148 -10.882 4.409 1.00 0.00 C ATOM 769 OE1 GLU A 53 -7.841 -9.937 4.860 1.00 0.00 O ATOM 770 OE2 GLU A 53 -6.419 -11.575 5.160 1.00 0.00 O ATOM 0 H GLU A 53 -4.973 -11.472 0.361 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.749 -10.434 0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.512 -10.003 2.331 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.036 -9.139 2.327 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.239 -11.349 2.595 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.684 -12.147 2.711 1.00 0.00 H new ATOM 777 N ILE A 54 -6.976 -8.304 -0.835 1.00 0.00 N ATOM 778 CA ILE A 54 -6.568 -7.143 -1.623 1.00 0.00 C ATOM 779 C ILE A 54 -7.255 -5.895 -1.080 1.00 0.00 C ATOM 780 O ILE A 54 -8.441 -5.931 -0.757 1.00 0.00 O ATOM 781 CB ILE A 54 -6.893 -7.341 -3.123 1.00 0.00 C ATOM 782 CG1 ILE A 54 -6.321 -8.656 -3.708 1.00 0.00 C ATOM 783 CG2 ILE A 54 -6.297 -6.155 -3.887 1.00 0.00 C ATOM 784 CD1 ILE A 54 -7.320 -9.821 -3.717 1.00 0.00 C ATOM 0 H ILE A 54 -7.987 -8.437 -0.805 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.488 -7.024 -1.538 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.976 -7.401 -3.227 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.984 -8.472 -4.728 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.444 -8.947 -3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.509 -6.264 -4.951 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.739 -5.228 -3.522 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.218 -6.128 -3.733 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.844 -10.705 -4.141 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.639 -10.035 -2.697 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.188 -9.552 -4.319 1.00 0.00 H new ATOM 796 N VAL A 55 -6.522 -4.785 -1.007 1.00 0.00 N ATOM 797 CA VAL A 55 -7.021 -3.481 -0.562 1.00 0.00 C ATOM 798 C VAL A 55 -6.572 -2.413 -1.552 1.00 0.00 C ATOM 799 O VAL A 55 -5.375 -2.185 -1.728 1.00 0.00 O ATOM 800 CB VAL A 55 -6.474 -3.149 0.839 1.00 0.00 C ATOM 801 CG1 VAL A 55 -7.044 -1.827 1.354 1.00 0.00 C ATOM 802 CG2 VAL A 55 -6.795 -4.257 1.850 1.00 0.00 C ATOM 0 H VAL A 55 -5.535 -4.766 -1.263 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.110 -3.510 -0.514 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.392 -3.064 0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.640 -1.618 2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.768 -1.022 0.673 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.130 -1.897 1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.393 -3.986 2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.875 -4.380 1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.345 -5.193 1.519 1.00 0.00 H new ATOM 812 N THR A 56 -7.524 -1.744 -2.196 1.00 0.00 N ATOM 813 CA THR A 56 -7.254 -0.645 -3.137 1.00 0.00 C ATOM 814 C THR A 56 -7.948 0.654 -2.708 1.00 0.00 C ATOM 815 O THR A 56 -9.116 0.630 -2.323 1.00 0.00 O ATOM 816 CB THR A 56 -7.540 -1.061 -4.589 1.00 0.00 C ATOM 817 OG1 THR A 56 -8.914 -1.313 -4.799 1.00 0.00 O ATOM 818 CG2 THR A 56 -6.778 -2.343 -4.959 1.00 0.00 C ATOM 0 H THR A 56 -8.517 -1.947 -2.083 1.00 0.00 H new ATOM 0 HA THR A 56 -6.187 -0.424 -3.104 1.00 0.00 H new ATOM 0 HB THR A 56 -7.214 -0.228 -5.212 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.060 -1.573 -5.732 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.000 -2.613 -5.991 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.707 -2.174 -4.850 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.086 -3.153 -4.298 1.00 0.00 H new ATOM 826 N TYR A 57 -7.263 1.799 -2.755 1.00 0.00 N ATOM 827 CA TYR A 57 -7.824 3.110 -2.380 1.00 0.00 C ATOM 828 C TYR A 57 -7.127 4.289 -3.080 1.00 0.00 C ATOM 829 O TYR A 57 -6.323 4.107 -3.999 1.00 0.00 O ATOM 830 CB TYR A 57 -7.841 3.267 -0.853 1.00 0.00 C ATOM 831 CG TYR A 57 -6.517 3.313 -0.106 1.00 0.00 C ATOM 832 CD1 TYR A 57 -5.918 2.114 0.328 1.00 0.00 C ATOM 833 CD2 TYR A 57 -5.941 4.548 0.253 1.00 0.00 C ATOM 834 CE1 TYR A 57 -4.776 2.155 1.152 1.00 0.00 C ATOM 835 CE2 TYR A 57 -4.800 4.592 1.076 1.00 0.00 C ATOM 836 CZ TYR A 57 -4.224 3.394 1.548 1.00 0.00 C ATOM 837 OH TYR A 57 -3.170 3.431 2.406 1.00 0.00 O ATOM 0 H TYR A 57 -6.290 1.848 -3.058 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.854 3.135 -2.737 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.382 4.184 -0.622 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.423 2.441 -0.443 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.334 1.163 0.029 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.378 5.468 -0.106 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.320 1.234 1.483 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.365 5.543 1.346 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.915 4.363 2.571 1.00 0.00 H new ATOM 847 N ASP A 58 -7.409 5.512 -2.625 1.00 0.00 N ATOM 848 CA ASP A 58 -6.844 6.741 -3.165 1.00 0.00 C ATOM 849 C ASP A 58 -6.552 7.726 -2.021 1.00 0.00 C ATOM 850 O ASP A 58 -7.199 7.694 -0.969 1.00 0.00 O ATOM 851 CB ASP A 58 -7.900 7.447 -4.045 1.00 0.00 C ATOM 852 CG ASP A 58 -8.507 6.634 -5.197 1.00 0.00 C ATOM 853 OD1 ASP A 58 -9.348 5.746 -4.934 1.00 0.00 O ATOM 854 OD2 ASP A 58 -8.239 6.957 -6.378 1.00 0.00 O ATOM 0 H ASP A 58 -8.053 5.674 -1.851 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.944 6.482 -3.722 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.713 7.777 -3.398 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.445 8.343 -4.467 1.00 0.00 H new ATOM 859 N HIS A 59 -5.653 8.672 -2.281 1.00 0.00 N ATOM 860 CA HIS A 59 -5.337 9.791 -1.394 1.00 0.00 C ATOM 861 C HIS A 59 -5.918 11.043 -2.058 1.00 0.00 C ATOM 862 O HIS A 59 -5.828 11.197 -3.276 1.00 0.00 O ATOM 863 CB HIS A 59 -3.824 9.942 -1.185 1.00 0.00 C ATOM 864 CG HIS A 59 -3.115 8.698 -0.697 1.00 0.00 C ATOM 865 ND1 HIS A 59 -2.711 8.434 0.596 1.00 0.00 N ATOM 866 CD2 HIS A 59 -2.582 7.711 -1.488 1.00 0.00 C ATOM 867 CE1 HIS A 59 -1.935 7.336 0.570 1.00 0.00 C ATOM 868 NE2 HIS A 59 -1.823 6.859 -0.678 1.00 0.00 N ATOM 0 H HIS A 59 -5.106 8.682 -3.142 1.00 0.00 H new ATOM 0 HA HIS A 59 -5.764 9.626 -0.405 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.372 10.253 -2.127 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.650 10.745 -0.468 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -2.957 8.976 1.424 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.724 7.609 -2.554 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.465 6.897 1.438 1.00 0.00 H new ATOM 876 N LEU A 60 -6.522 11.937 -1.283 1.00 0.00 N ATOM 877 CA LEU A 60 -7.207 13.131 -1.776 1.00 0.00 C ATOM 878 C LEU A 60 -6.778 14.357 -0.979 1.00 0.00 C ATOM 879 O LEU A 60 -6.800 14.326 0.250 1.00 0.00 O ATOM 880 CB LEU A 60 -8.740 12.975 -1.666 1.00 0.00 C ATOM 881 CG LEU A 60 -9.416 12.063 -2.709 1.00 0.00 C ATOM 882 CD1 LEU A 60 -9.408 10.576 -2.330 1.00 0.00 C ATOM 883 CD2 LEU A 60 -10.886 12.465 -2.838 1.00 0.00 C ATOM 0 H LEU A 60 -6.551 11.851 -0.267 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.934 13.258 -2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.973 12.589 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.190 13.965 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.848 12.189 -3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.901 9.999 -3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.379 10.234 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.938 10.438 -1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.375 11.826 -3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.380 12.351 -1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.952 13.504 -3.159 1.00 0.00 H new ATOM 895 N CYS A 61 -6.418 15.434 -1.670 1.00 0.00 N ATOM 896 CA CYS A 61 -6.008 16.701 -1.073 1.00 0.00 C ATOM 897 C CYS A 61 -7.114 17.261 -0.160 1.00 0.00 C ATOM 898 O CYS A 61 -8.249 17.461 -0.590 1.00 0.00 O ATOM 899 CB CYS A 61 -5.658 17.628 -2.248 1.00 0.00 C ATOM 900 SG CYS A 61 -4.685 19.080 -1.746 1.00 0.00 S ATOM 0 H CYS A 61 -6.403 15.450 -2.690 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.142 16.590 -0.421 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.099 17.064 -2.994 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.579 17.963 -2.726 1.00 0.00 H new ATOM 905 N LYS A 62 -6.822 17.536 1.117 1.00 0.00 N ATOM 906 CA LYS A 62 -7.812 18.113 2.053 1.00 0.00 C ATOM 907 C LYS A 62 -8.279 19.516 1.600 1.00 0.00 C ATOM 908 O LYS A 62 -9.293 20.012 2.093 1.00 0.00 O ATOM 909 CB LYS A 62 -7.213 18.092 3.478 1.00 0.00 C ATOM 910 CG LYS A 62 -7.906 18.919 4.579 1.00 0.00 C ATOM 911 CD LYS A 62 -9.326 18.443 4.910 1.00 0.00 C ATOM 912 CE LYS A 62 -10.085 19.436 5.804 1.00 0.00 C ATOM 913 NZ LYS A 62 -9.501 19.539 7.170 1.00 0.00 N ATOM 0 H LYS A 62 -5.906 17.370 1.533 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.719 17.508 2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.185 17.054 3.811 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.180 18.432 3.408 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.300 18.881 5.484 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.946 19.962 4.266 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.881 18.295 3.984 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.274 17.475 5.409 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -10.078 20.420 5.335 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.127 19.127 5.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.050 20.221 7.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.531 18.607 7.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.514 19.861 7.102 1.00 0.00 H new ATOM 927 N ASN A 63 -7.581 20.149 0.650 1.00 0.00 N ATOM 928 CA ASN A 63 -7.906 21.473 0.135 1.00 0.00 C ATOM 929 C ASN A 63 -8.763 21.395 -1.140 1.00 0.00 C ATOM 930 O ASN A 63 -9.936 21.779 -1.104 1.00 0.00 O ATOM 931 CB ASN A 63 -6.603 22.250 -0.087 1.00 0.00 C ATOM 932 CG ASN A 63 -6.882 23.624 -0.665 1.00 0.00 C ATOM 933 OD1 ASN A 63 -7.592 24.433 -0.082 1.00 0.00 O ATOM 934 ND2 ASN A 63 -6.336 23.944 -1.809 1.00 0.00 N ATOM 0 H ASN A 63 -6.756 19.740 0.211 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.514 22.006 0.866 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.070 22.351 0.858 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.953 21.693 -0.762 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.502 24.866 -2.213 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.744 23.272 -2.297 1.00 0.00 H new ATOM 941 N CYS A 64 -8.205 20.898 -2.248 1.00 0.00 N ATOM 942 CA CYS A 64 -8.884 20.806 -3.542 1.00 0.00 C ATOM 943 C CYS A 64 -9.603 19.461 -3.806 1.00 0.00 C ATOM 944 O CYS A 64 -10.321 19.334 -4.806 1.00 0.00 O ATOM 945 CB CYS A 64 -7.882 21.186 -4.658 1.00 0.00 C ATOM 946 SG CYS A 64 -6.340 20.199 -4.680 1.00 0.00 S ATOM 0 H CYS A 64 -7.250 20.542 -2.270 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.708 21.520 -3.532 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.378 21.079 -5.623 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.621 22.239 -4.548 1.00 0.00 H new ATOM 951 N HIS A 65 -9.446 18.459 -2.925 1.00 0.00 N ATOM 952 CA HIS A 65 -10.002 17.089 -3.042 1.00 0.00 C ATOM 953 C HIS A 65 -9.690 16.374 -4.363 1.00 0.00 C ATOM 954 O HIS A 65 -10.325 15.383 -4.729 1.00 0.00 O ATOM 955 CB HIS A 65 -11.459 17.012 -2.565 1.00 0.00 C ATOM 956 CG HIS A 65 -11.584 17.323 -1.091 1.00 0.00 C ATOM 957 ND1 HIS A 65 -11.959 18.539 -0.544 1.00 0.00 N ATOM 958 CD2 HIS A 65 -11.285 16.472 -0.058 1.00 0.00 C ATOM 959 CE1 HIS A 65 -11.905 18.426 0.798 1.00 0.00 C ATOM 960 NE2 HIS A 65 -11.509 17.175 1.115 1.00 0.00 N ATOM 0 H HIS A 65 -8.904 18.582 -2.070 1.00 0.00 H new ATOM 0 HA HIS A 65 -9.444 16.477 -2.333 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.066 17.713 -3.137 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.853 16.015 -2.761 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -10.941 15.452 -0.142 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.140 19.208 1.504 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.394 16.808 2.060 1.00 0.00 H new ATOM 969 N HIS A 66 -8.643 16.831 -5.038 1.00 0.00 N ATOM 970 CA HIS A 66 -8.043 16.183 -6.193 1.00 0.00 C ATOM 971 C HIS A 66 -7.364 14.893 -5.698 1.00 0.00 C ATOM 972 O HIS A 66 -6.837 14.860 -4.580 1.00 0.00 O ATOM 973 CB HIS A 66 -7.030 17.157 -6.785 1.00 0.00 C ATOM 974 CG HIS A 66 -5.698 16.573 -7.129 1.00 0.00 C ATOM 975 ND1 HIS A 66 -5.336 15.990 -8.321 1.00 0.00 N ATOM 976 CD2 HIS A 66 -4.564 16.795 -6.399 1.00 0.00 C ATOM 977 CE1 HIS A 66 -3.994 15.967 -8.353 1.00 0.00 C ATOM 978 NE2 HIS A 66 -3.489 16.488 -7.219 1.00 0.00 N ATOM 0 H HIS A 66 -8.171 17.699 -4.784 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.773 15.923 -6.960 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.458 17.596 -7.686 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.878 17.971 -6.076 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.967 15.642 -9.043 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.515 17.143 -5.378 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.403 15.585 -9.172 1.00 0.00 H new ATOM 986 N VAL A 67 -7.344 13.834 -6.513 1.00 0.00 N ATOM 987 CA VAL A 67 -6.667 12.587 -6.144 1.00 0.00 C ATOM 988 C VAL A 67 -5.150 12.762 -6.269 1.00 0.00 C ATOM 989 O VAL A 67 -4.600 12.772 -7.373 1.00 0.00 O ATOM 990 CB VAL A 67 -7.177 11.392 -6.964 1.00 0.00 C ATOM 991 CG1 VAL A 67 -6.390 10.128 -6.615 1.00 0.00 C ATOM 992 CG2 VAL A 67 -8.659 11.116 -6.666 1.00 0.00 C ATOM 0 H VAL A 67 -7.788 13.815 -7.431 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.903 12.363 -5.104 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.047 11.643 -8.017 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.765 9.292 -7.205 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.334 10.284 -6.836 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.510 9.906 -5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.997 10.266 -7.258 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.781 10.892 -5.606 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.251 11.995 -6.922 1.00 0.00 H new ATOM 1002 N ILE A 68 -4.486 12.880 -5.116 1.00 0.00 N ATOM 1003 CA ILE A 68 -3.031 13.027 -4.981 1.00 0.00 C ATOM 1004 C ILE A 68 -2.303 11.809 -5.569 1.00 0.00 C ATOM 1005 O ILE A 68 -1.309 11.942 -6.288 1.00 0.00 O ATOM 1006 CB ILE A 68 -2.690 13.230 -3.486 1.00 0.00 C ATOM 1007 CG1 ILE A 68 -3.084 14.678 -3.127 1.00 0.00 C ATOM 1008 CG2 ILE A 68 -1.213 12.936 -3.142 1.00 0.00 C ATOM 1009 CD1 ILE A 68 -2.970 15.007 -1.643 1.00 0.00 C ATOM 0 H ILE A 68 -4.964 12.876 -4.215 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.692 13.897 -5.543 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.250 12.510 -2.890 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.452 15.365 -3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.110 14.854 -3.449 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.048 13.100 -2.077 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.981 11.900 -3.390 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.567 13.600 -3.716 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.265 16.043 -1.476 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.624 14.347 -1.073 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.939 14.866 -1.317 1.00 0.00 H new ATOM 1021 N ALA A 69 -2.804 10.610 -5.251 1.00 0.00 N ATOM 1022 CA ALA A 69 -2.223 9.333 -5.651 1.00 0.00 C ATOM 1023 C ALA A 69 -3.212 8.164 -5.463 1.00 0.00 C ATOM 1024 O ALA A 69 -4.184 8.277 -4.710 1.00 0.00 O ATOM 1025 CB ALA A 69 -0.980 9.129 -4.765 1.00 0.00 C ATOM 0 H ALA A 69 -3.650 10.503 -4.691 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.970 9.349 -6.711 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.502 8.184 -5.021 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.278 9.947 -4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.279 9.112 -3.717 1.00 0.00 H new ATOM 1031 N ARG A 70 -2.922 7.018 -6.093 1.00 0.00 N ATOM 1032 CA ARG A 70 -3.655 5.751 -5.928 1.00 0.00 C ATOM 1033 C ARG A 70 -2.761 4.765 -5.177 1.00 0.00 C ATOM 1034 O ARG A 70 -1.560 4.713 -5.443 1.00 0.00 O ATOM 1035 CB ARG A 70 -4.043 5.120 -7.273 1.00 0.00 C ATOM 1036 CG ARG A 70 -5.405 5.555 -7.813 1.00 0.00 C ATOM 1037 CD ARG A 70 -5.415 6.950 -8.443 1.00 0.00 C ATOM 1038 NE ARG A 70 -6.805 7.339 -8.727 1.00 0.00 N ATOM 1039 CZ ARG A 70 -7.316 7.913 -9.795 1.00 0.00 C ATOM 1040 NH1 ARG A 70 -6.600 8.222 -10.840 1.00 0.00 N ATOM 1041 NH2 ARG A 70 -8.586 8.193 -9.820 1.00 0.00 N ATOM 0 H ARG A 70 -2.147 6.942 -6.752 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.572 5.968 -5.380 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.279 5.369 -8.010 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.040 4.035 -7.164 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.736 4.831 -8.557 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.130 5.531 -7.000 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.953 7.671 -7.768 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.829 6.952 -9.362 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.473 7.133 -7.984 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.600 8.019 -10.851 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.040 8.666 -11.646 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.174 7.968 -9.017 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.994 8.638 -10.642 1.00 0.00 H new ATOM 1055 N HIS A 71 -3.376 3.968 -4.305 1.00 0.00 N ATOM 1056 CA HIS A 71 -2.728 2.971 -3.448 1.00 0.00 C ATOM 1057 C HIS A 71 -3.321 1.583 -3.658 1.00 0.00 C ATOM 1058 O HIS A 71 -4.542 1.410 -3.720 1.00 0.00 O ATOM 1059 CB HIS A 71 -2.961 3.366 -1.983 1.00 0.00 C ATOM 1060 CG HIS A 71 -2.037 2.698 -0.984 1.00 0.00 C ATOM 1061 ND1 HIS A 71 -1.034 3.381 -0.294 1.00 0.00 N ATOM 1062 CD2 HIS A 71 -2.016 1.377 -0.603 1.00 0.00 C ATOM 1063 CE1 HIS A 71 -0.433 2.470 0.485 1.00 0.00 C ATOM 1064 NE2 HIS A 71 -1.016 1.266 0.341 1.00 0.00 N ATOM 0 H HIS A 71 -4.386 4.000 -4.169 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.667 2.942 -3.698 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.850 4.446 -1.892 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.991 3.128 -1.718 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.654 0.586 -0.969 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.403 2.674 1.137 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.762 0.416 0.844 1.00 0.00 H new ATOM 1072 N GLU A 72 -2.464 0.574 -3.708 1.00 0.00 N ATOM 1073 CA GLU A 72 -2.842 -0.826 -3.805 1.00 0.00 C ATOM 1074 C GLU A 72 -1.945 -1.645 -2.870 1.00 0.00 C ATOM 1075 O GLU A 72 -0.722 -1.529 -2.890 1.00 0.00 O ATOM 1076 CB GLU A 72 -2.734 -1.296 -5.267 1.00 0.00 C ATOM 1077 CG GLU A 72 -2.806 -2.822 -5.397 1.00 0.00 C ATOM 1078 CD GLU A 72 -2.984 -3.247 -6.868 1.00 0.00 C ATOM 1079 OE1 GLU A 72 -4.140 -3.302 -7.352 1.00 0.00 O ATOM 1080 OE2 GLU A 72 -1.970 -3.528 -7.552 1.00 0.00 O ATOM 0 H GLU A 72 -1.454 0.713 -3.681 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.878 -0.966 -3.496 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.537 -0.846 -5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.794 -0.942 -5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.896 -3.267 -4.994 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.637 -3.202 -4.803 1.00 0.00 H new ATOM 1087 N TYR A 73 -2.562 -2.505 -2.071 1.00 0.00 N ATOM 1088 CA TYR A 73 -1.896 -3.461 -1.195 1.00 0.00 C ATOM 1089 C TYR A 73 -2.555 -4.814 -1.444 1.00 0.00 C ATOM 1090 O TYR A 73 -3.776 -4.939 -1.368 1.00 0.00 O ATOM 1091 CB TYR A 73 -2.015 -3.041 0.275 1.00 0.00 C ATOM 1092 CG TYR A 73 -1.828 -4.171 1.280 1.00 0.00 C ATOM 1093 CD1 TYR A 73 -0.589 -4.829 1.438 1.00 0.00 C ATOM 1094 CD2 TYR A 73 -2.935 -4.597 2.038 1.00 0.00 C ATOM 1095 CE1 TYR A 73 -0.448 -5.876 2.370 1.00 0.00 C ATOM 1096 CE2 TYR A 73 -2.802 -5.639 2.969 1.00 0.00 C ATOM 1097 CZ TYR A 73 -1.555 -6.265 3.160 1.00 0.00 C ATOM 1098 OH TYR A 73 -1.443 -7.230 4.114 1.00 0.00 O ATOM 0 H TYR A 73 -3.579 -2.558 -2.013 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.828 -3.508 -1.410 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.275 -2.267 0.478 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.996 -2.593 0.432 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.258 -4.527 0.839 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.894 -4.119 1.902 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.501 -6.379 2.481 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.659 -5.962 3.541 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.574 -7.675 4.028 1.00 0.00 H new ATOM 1108 N THR A 74 -1.763 -5.831 -1.756 1.00 0.00 N ATOM 1109 CA THR A 74 -2.265 -7.186 -2.006 1.00 0.00 C ATOM 1110 C THR A 74 -1.462 -8.166 -1.147 1.00 0.00 C ATOM 1111 O THR A 74 -0.238 -8.070 -1.017 1.00 0.00 O ATOM 1112 CB THR A 74 -2.247 -7.577 -3.503 1.00 0.00 C ATOM 1113 OG1 THR A 74 -1.037 -8.188 -3.887 1.00 0.00 O ATOM 1114 CG2 THR A 74 -2.441 -6.402 -4.475 1.00 0.00 C ATOM 0 H THR A 74 -0.751 -5.745 -1.844 1.00 0.00 H new ATOM 0 HA THR A 74 -3.317 -7.223 -1.724 1.00 0.00 H new ATOM 0 HB THR A 74 -3.092 -8.261 -3.576 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.302 -7.548 -3.789 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.414 -6.770 -5.501 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.404 -5.928 -4.285 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.643 -5.674 -4.330 1.00 0.00 H new ATOM 1122 N PHE A 75 -2.156 -9.102 -0.513 1.00 0.00 N ATOM 1123 CA PHE A 75 -1.559 -10.112 0.364 1.00 0.00 C ATOM 1124 C PHE A 75 -2.039 -11.512 -0.056 1.00 0.00 C ATOM 1125 O PHE A 75 -3.239 -11.731 -0.129 1.00 0.00 O ATOM 1126 CB PHE A 75 -1.935 -9.803 1.815 1.00 0.00 C ATOM 1127 CG PHE A 75 -1.731 -10.988 2.729 1.00 0.00 C ATOM 1128 CD1 PHE A 75 -0.429 -11.316 3.124 1.00 0.00 C ATOM 1129 CD2 PHE A 75 -2.806 -11.829 3.080 1.00 0.00 C ATOM 1130 CE1 PHE A 75 -0.193 -12.469 3.874 1.00 0.00 C ATOM 1131 CE2 PHE A 75 -2.564 -13.003 3.814 1.00 0.00 C ATOM 1132 CZ PHE A 75 -1.253 -13.328 4.203 1.00 0.00 C ATOM 0 H PHE A 75 -3.169 -9.186 -0.593 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.473 -10.091 0.278 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.336 -8.965 2.172 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.978 -9.490 1.858 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.395 -10.675 2.848 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.813 -11.572 2.786 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.809 -12.701 4.203 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.384 -13.654 4.079 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.062 -14.237 4.754 1.00 0.00 H new ATOM 1142 N SER A 76 -1.138 -12.462 -0.307 1.00 0.00 N ATOM 1143 CA SER A 76 -1.413 -13.830 -0.794 1.00 0.00 C ATOM 1144 C SER A 76 -0.771 -14.923 0.058 1.00 0.00 C ATOM 1145 O SER A 76 0.349 -14.768 0.519 1.00 0.00 O ATOM 1146 CB SER A 76 -0.874 -14.002 -2.224 1.00 0.00 C ATOM 1147 OG SER A 76 -1.838 -13.658 -3.198 1.00 0.00 O ATOM 0 H SER A 76 -0.141 -12.297 -0.171 1.00 0.00 H new ATOM 0 HA SER A 76 -2.496 -13.941 -0.746 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.012 -13.380 -2.355 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.562 -15.036 -2.372 1.00 0.00 H new ATOM 0 HG SER A 76 -1.457 -13.779 -4.093 1.00 0.00 H new ATOM 1153 N ILE A 77 -1.446 -16.056 0.253 1.00 0.00 N ATOM 1154 CA ILE A 77 -0.867 -17.221 0.960 1.00 0.00 C ATOM 1155 C ILE A 77 -0.608 -18.356 -0.040 1.00 0.00 C ATOM 1156 O ILE A 77 -1.536 -18.819 -0.707 1.00 0.00 O ATOM 1157 CB ILE A 77 -1.754 -17.676 2.139 1.00 0.00 C ATOM 1158 CG1 ILE A 77 -1.993 -16.475 3.077 1.00 0.00 C ATOM 1159 CG2 ILE A 77 -1.100 -18.882 2.845 1.00 0.00 C ATOM 1160 CD1 ILE A 77 -2.475 -16.807 4.491 1.00 0.00 C ATOM 0 H ILE A 77 -2.403 -16.202 -0.068 1.00 0.00 H new ATOM 0 HA ILE A 77 0.086 -16.925 1.397 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.730 -18.013 1.790 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.063 -15.911 3.156 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.726 -15.817 2.611 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.728 -19.201 3.677 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.991 -19.703 2.137 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.118 -18.595 3.221 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.608 -15.884 5.056 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.425 -17.339 4.436 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.736 -17.435 4.989 1.00 0.00 H new ATOM 1172 N MET A 78 0.651 -18.807 -0.137 1.00 0.00 N ATOM 1173 CA MET A 78 1.081 -19.912 -1.004 1.00 0.00 C ATOM 1174 C MET A 78 1.700 -21.100 -0.251 1.00 0.00 C ATOM 1175 O MET A 78 2.786 -20.969 0.303 1.00 0.00 O ATOM 1176 CB MET A 78 2.005 -19.412 -2.132 1.00 0.00 C ATOM 1177 CG MET A 78 3.179 -18.527 -1.673 1.00 0.00 C ATOM 1178 SD MET A 78 4.599 -18.437 -2.807 1.00 0.00 S ATOM 1179 CE MET A 78 3.782 -18.192 -4.405 1.00 0.00 C ATOM 0 H MET A 78 1.418 -18.402 0.400 1.00 0.00 H new ATOM 0 HA MET A 78 0.168 -20.303 -1.453 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.407 -20.276 -2.661 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.406 -18.850 -2.849 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.805 -17.516 -1.510 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.531 -18.896 -0.710 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.529 -17.961 -5.164 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.250 -19.101 -4.685 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.075 -17.366 -4.329 1.00 0.00 H new ATOM 1189 N ASP A 79 1.053 -22.270 -0.305 1.00 0.00 N ATOM 1190 CA ASP A 79 1.468 -23.578 0.250 1.00 0.00 C ATOM 1191 C ASP A 79 1.879 -23.615 1.744 1.00 0.00 C ATOM 1192 O ASP A 79 1.155 -24.172 2.574 1.00 0.00 O ATOM 1193 CB ASP A 79 2.577 -24.147 -0.654 1.00 0.00 C ATOM 1194 CG ASP A 79 2.891 -25.633 -0.398 1.00 0.00 C ATOM 1195 OD1 ASP A 79 1.977 -26.407 -0.022 1.00 0.00 O ATOM 1196 OD2 ASP A 79 4.051 -26.049 -0.629 1.00 0.00 O ATOM 0 H ASP A 79 0.151 -22.340 -0.775 1.00 0.00 H new ATOM 0 HA ASP A 79 0.573 -24.200 0.248 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.282 -24.023 -1.696 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.486 -23.563 -0.508 1.00 0.00 H new ATOM 1201 N GLU A 80 3.012 -23.006 2.101 1.00 0.00 N ATOM 1202 CA GLU A 80 3.568 -22.900 3.458 1.00 0.00 C ATOM 1203 C GLU A 80 4.081 -21.487 3.765 1.00 0.00 C ATOM 1204 O GLU A 80 4.731 -21.287 4.790 1.00 0.00 O ATOM 1205 CB GLU A 80 4.756 -23.859 3.668 1.00 0.00 C ATOM 1206 CG GLU A 80 4.568 -25.270 3.114 1.00 0.00 C ATOM 1207 CD GLU A 80 5.669 -26.223 3.617 1.00 0.00 C ATOM 1208 OE1 GLU A 80 6.814 -26.174 3.101 1.00 0.00 O ATOM 1209 OE2 GLU A 80 5.398 -27.044 4.529 1.00 0.00 O ATOM 0 H GLU A 80 3.604 -22.545 1.411 1.00 0.00 H new ATOM 0 HA GLU A 80 2.744 -23.157 4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.640 -23.421 3.205 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.958 -23.931 4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.591 -25.652 3.411 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.581 -25.239 2.025 1.00 0.00 H new ATOM 1216 N PHE A 81 3.864 -20.502 2.890 1.00 0.00 N ATOM 1217 CA PHE A 81 4.414 -19.159 3.089 1.00 0.00 C ATOM 1218 C PHE A 81 3.317 -18.108 2.874 1.00 0.00 C ATOM 1219 O PHE A 81 2.241 -18.384 2.334 1.00 0.00 O ATOM 1220 CB PHE A 81 5.530 -18.866 2.060 1.00 0.00 C ATOM 1221 CG PHE A 81 6.342 -20.038 1.539 1.00 0.00 C ATOM 1222 CD1 PHE A 81 7.013 -20.940 2.384 1.00 0.00 C ATOM 1223 CD2 PHE A 81 6.341 -20.259 0.152 1.00 0.00 C ATOM 1224 CE1 PHE A 81 7.714 -22.030 1.832 1.00 0.00 C ATOM 1225 CE2 PHE A 81 7.026 -21.350 -0.403 1.00 0.00 C ATOM 1226 CZ PHE A 81 7.725 -22.234 0.440 1.00 0.00 C ATOM 0 H PHE A 81 3.313 -20.609 2.039 1.00 0.00 H new ATOM 0 HA PHE A 81 4.811 -19.113 4.103 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.073 -18.369 1.204 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.222 -18.154 2.511 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.991 -20.797 3.454 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.806 -19.580 -0.496 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.245 -22.712 2.480 1.00 0.00 H new ATOM 0 HE2 PHE A 81 7.017 -21.511 -1.471 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.269 -23.067 0.019 1.00 0.00 H new ATOM 1236 N GLN A 82 3.637 -16.868 3.220 1.00 0.00 N ATOM 1237 CA GLN A 82 2.789 -15.699 3.018 1.00 0.00 C ATOM 1238 C GLN A 82 3.532 -14.684 2.163 1.00 0.00 C ATOM 1239 O GLN A 82 4.728 -14.496 2.341 1.00 0.00 O ATOM 1240 CB GLN A 82 2.403 -15.048 4.348 1.00 0.00 C ATOM 1241 CG GLN A 82 2.229 -15.966 5.553 1.00 0.00 C ATOM 1242 CD GLN A 82 1.545 -15.249 6.713 1.00 0.00 C ATOM 1243 OE1 GLN A 82 0.371 -15.440 6.998 1.00 0.00 O ATOM 1244 NE2 GLN A 82 2.252 -14.399 7.425 1.00 0.00 N ATOM 0 H GLN A 82 4.526 -16.640 3.665 1.00 0.00 H new ATOM 0 HA GLN A 82 1.875 -16.024 2.520 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.165 -14.309 4.595 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.469 -14.506 4.199 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.640 -16.837 5.265 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.204 -16.333 5.875 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.232 -14.233 7.195 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.821 -13.906 8.207 1.00 0.00 H new ATOM 1253 N GLU A 83 2.820 -13.990 1.291 1.00 0.00 N ATOM 1254 CA GLU A 83 3.319 -12.989 0.352 1.00 0.00 C ATOM 1255 C GLU A 83 2.610 -11.664 0.595 1.00 0.00 C ATOM 1256 O GLU A 83 1.385 -11.593 0.632 1.00 0.00 O ATOM 1257 CB GLU A 83 3.028 -13.396 -1.108 1.00 0.00 C ATOM 1258 CG GLU A 83 4.098 -14.278 -1.749 1.00 0.00 C ATOM 1259 CD GLU A 83 3.793 -14.535 -3.241 1.00 0.00 C ATOM 1260 OE1 GLU A 83 2.638 -14.885 -3.585 1.00 0.00 O ATOM 1261 OE2 GLU A 83 4.708 -14.375 -4.086 1.00 0.00 O ATOM 0 H GLU A 83 1.811 -14.116 1.212 1.00 0.00 H new ATOM 0 HA GLU A 83 4.395 -12.904 0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.074 -13.923 -1.141 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.914 -12.493 -1.707 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.073 -13.800 -1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.155 -15.228 -1.218 1.00 0.00 H new ATOM 1268 N TYR A 84 3.394 -10.604 0.704 1.00 0.00 N ATOM 1269 CA TYR A 84 2.931 -9.240 0.908 1.00 0.00 C ATOM 1270 C TYR A 84 3.437 -8.371 -0.227 1.00 0.00 C ATOM 1271 O TYR A 84 4.632 -8.395 -0.519 1.00 0.00 O ATOM 1272 CB TYR A 84 3.508 -8.698 2.212 1.00 0.00 C ATOM 1273 CG TYR A 84 2.967 -9.393 3.447 1.00 0.00 C ATOM 1274 CD1 TYR A 84 3.547 -10.591 3.914 1.00 0.00 C ATOM 1275 CD2 TYR A 84 1.828 -8.866 4.081 1.00 0.00 C ATOM 1276 CE1 TYR A 84 3.005 -11.252 5.035 1.00 0.00 C ATOM 1277 CE2 TYR A 84 1.307 -9.497 5.228 1.00 0.00 C ATOM 1278 CZ TYR A 84 1.904 -10.684 5.716 1.00 0.00 C ATOM 1279 OH TYR A 84 1.394 -11.310 6.812 1.00 0.00 O ATOM 0 H TYR A 84 4.410 -10.672 0.651 1.00 0.00 H new ATOM 0 HA TYR A 84 1.842 -9.230 0.944 1.00 0.00 H new ATOM 0 HB2 TYR A 84 4.593 -8.803 2.192 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.292 -7.632 2.281 1.00 0.00 H new ATOM 0 HD1 TYR A 84 4.409 -11.003 3.411 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.353 -7.979 3.689 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.428 -12.187 5.372 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.452 -9.075 5.735 1.00 0.00 H new ATOM 0 HH TYR A 84 0.641 -10.791 7.164 1.00 0.00 H new ATOM 1289 N THR A 85 2.559 -7.601 -0.865 1.00 0.00 N ATOM 1290 CA THR A 85 2.966 -6.685 -1.932 1.00 0.00 C ATOM 1291 C THR A 85 2.185 -5.375 -1.791 1.00 0.00 C ATOM 1292 O THR A 85 1.010 -5.351 -1.427 1.00 0.00 O ATOM 1293 CB THR A 85 2.814 -7.273 -3.356 1.00 0.00 C ATOM 1294 OG1 THR A 85 1.555 -7.018 -3.936 1.00 0.00 O ATOM 1295 CG2 THR A 85 2.970 -8.801 -3.430 1.00 0.00 C ATOM 0 H THR A 85 1.559 -7.592 -0.663 1.00 0.00 H new ATOM 0 HA THR A 85 4.034 -6.504 -1.813 1.00 0.00 H new ATOM 0 HB THR A 85 3.620 -6.770 -3.891 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.522 -7.412 -4.833 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.849 -9.130 -4.462 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.960 -9.083 -3.073 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.211 -9.275 -2.807 1.00 0.00 H new ATOM 1303 N MET A 86 2.836 -4.258 -2.075 1.00 0.00 N ATOM 1304 CA MET A 86 2.269 -2.913 -2.058 1.00 0.00 C ATOM 1305 C MET A 86 2.769 -2.139 -3.276 1.00 0.00 C ATOM 1306 O MET A 86 3.902 -2.321 -3.725 1.00 0.00 O ATOM 1307 CB MET A 86 2.638 -2.231 -0.738 1.00 0.00 C ATOM 1308 CG MET A 86 2.187 -0.773 -0.659 1.00 0.00 C ATOM 1309 SD MET A 86 2.668 0.074 0.868 1.00 0.00 S ATOM 1310 CE MET A 86 4.372 0.531 0.433 1.00 0.00 C ATOM 0 H MET A 86 3.822 -4.262 -2.337 1.00 0.00 H new ATOM 0 HA MET A 86 1.181 -2.948 -2.118 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.191 -2.787 0.086 1.00 0.00 H new ATOM 0 HB3 MET A 86 3.719 -2.277 -0.604 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.602 -0.230 -1.508 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.102 -0.735 -0.756 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.912 0.821 1.334 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.870 -0.321 -0.031 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.357 1.367 -0.266 1.00 0.00 H new ATOM 1320 N LEU A 87 1.901 -1.282 -3.798 1.00 0.00 N ATOM 1321 CA LEU A 87 2.125 -0.425 -4.961 1.00 0.00 C ATOM 1322 C LEU A 87 1.277 0.861 -4.844 1.00 0.00 C ATOM 1323 O LEU A 87 0.062 0.845 -5.043 1.00 0.00 O ATOM 1324 CB LEU A 87 1.730 -1.218 -6.222 1.00 0.00 C ATOM 1325 CG LEU A 87 2.107 -0.512 -7.526 1.00 0.00 C ATOM 1326 CD1 LEU A 87 3.534 -0.858 -7.923 1.00 0.00 C ATOM 1327 CD2 LEU A 87 1.179 -0.891 -8.677 1.00 0.00 C ATOM 0 H LEU A 87 0.970 -1.157 -3.401 1.00 0.00 H new ATOM 0 HA LEU A 87 3.173 -0.132 -5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.212 -2.195 -6.194 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.654 -1.393 -6.210 1.00 0.00 H new ATOM 0 HG LEU A 87 2.011 0.558 -7.340 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.787 -0.348 -8.853 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.218 -0.539 -7.136 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.621 -1.935 -8.065 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.487 -0.365 -9.581 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.231 -1.966 -8.848 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.155 -0.613 -8.426 1.00 0.00 H new ATOM 1339 N CYS A 88 1.927 1.977 -4.535 1.00 0.00 N ATOM 1340 CA CYS A 88 1.342 3.305 -4.395 1.00 0.00 C ATOM 1341 C CYS A 88 2.309 4.360 -4.953 1.00 0.00 C ATOM 1342 O CYS A 88 3.515 4.314 -4.677 1.00 0.00 O ATOM 1343 CB CYS A 88 1.072 3.576 -2.912 1.00 0.00 C ATOM 1344 SG CYS A 88 0.491 5.288 -2.654 1.00 0.00 S ATOM 0 H CYS A 88 2.933 1.979 -4.366 1.00 0.00 H new ATOM 0 HA CYS A 88 0.407 3.357 -4.952 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.325 2.875 -2.541 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.982 3.406 -2.336 1.00 0.00 H new ATOM 1349 N LEU A 89 1.783 5.319 -5.720 1.00 0.00 N ATOM 1350 CA LEU A 89 2.549 6.435 -6.279 1.00 0.00 C ATOM 1351 C LEU A 89 3.205 7.287 -5.178 1.00 0.00 C ATOM 1352 O LEU A 89 4.321 7.773 -5.375 1.00 0.00 O ATOM 1353 CB LEU A 89 1.612 7.264 -7.186 1.00 0.00 C ATOM 1354 CG LEU A 89 2.165 8.619 -7.664 1.00 0.00 C ATOM 1355 CD1 LEU A 89 3.393 8.485 -8.546 1.00 0.00 C ATOM 1356 CD2 LEU A 89 1.150 9.392 -8.503 1.00 0.00 C ATOM 0 H LEU A 89 0.795 5.341 -5.974 1.00 0.00 H new ATOM 0 HA LEU A 89 3.374 6.050 -6.878 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.363 6.665 -8.062 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.681 7.443 -6.647 1.00 0.00 H new ATOM 0 HG LEU A 89 2.408 9.141 -6.738 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.733 9.475 -8.849 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.186 7.983 -7.992 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.143 7.901 -9.431 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.585 10.341 -8.817 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.883 8.806 -9.383 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.256 9.582 -7.909 1.00 0.00 H new ATOM 1368 N LEU A 90 2.547 7.431 -4.025 1.00 0.00 N ATOM 1369 CA LEU A 90 3.032 8.188 -2.877 1.00 0.00 C ATOM 1370 C LEU A 90 3.751 7.288 -1.875 1.00 0.00 C ATOM 1371 O LEU A 90 4.933 7.506 -1.605 1.00 0.00 O ATOM 1372 CB LEU A 90 1.830 8.867 -2.189 1.00 0.00 C ATOM 1373 CG LEU A 90 2.151 9.472 -0.808 1.00 0.00 C ATOM 1374 CD1 LEU A 90 3.256 10.520 -0.881 1.00 0.00 C ATOM 1375 CD2 LEU A 90 0.906 10.109 -0.198 1.00 0.00 C ATOM 0 H LEU A 90 1.633 7.009 -3.863 1.00 0.00 H new ATOM 0 HA LEU A 90 3.746 8.933 -3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.451 9.655 -2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.030 8.136 -2.076 1.00 0.00 H new ATOM 0 HG LEU A 90 2.496 8.650 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.447 10.917 0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.166 10.063 -1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.946 11.330 -1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.153 10.530 0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.543 10.900 -0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.131 9.352 -0.080 1.00 0.00 H new ATOM 1387 N CYS A 91 3.030 6.340 -1.290 1.00 0.00 N ATOM 1388 CA CYS A 91 3.503 5.491 -0.216 1.00 0.00 C ATOM 1389 C CYS A 91 4.633 4.551 -0.635 1.00 0.00 C ATOM 1390 O CYS A 91 5.577 4.364 0.138 1.00 0.00 O ATOM 1391 CB CYS A 91 2.313 4.735 0.379 1.00 0.00 C ATOM 1392 SG CYS A 91 1.088 5.896 1.044 1.00 0.00 S ATOM 0 H CYS A 91 2.068 6.138 -1.563 1.00 0.00 H new ATOM 0 HA CYS A 91 3.948 6.128 0.548 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.852 4.111 -0.386 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.657 4.068 1.170 1.00 0.00 H new ATOM 1397 N GLY A 92 4.566 3.997 -1.848 1.00 0.00 N ATOM 1398 CA GLY A 92 5.648 3.196 -2.410 1.00 0.00 C ATOM 1399 C GLY A 92 5.305 1.841 -3.013 1.00 0.00 C ATOM 1400 O GLY A 92 4.189 1.336 -2.902 1.00 0.00 O ATOM 0 H GLY A 92 3.760 4.093 -2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.135 3.790 -3.183 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.384 3.033 -1.623 1.00 0.00 H new ATOM 1404 N LYS A 93 6.327 1.224 -3.615 1.00 0.00 N ATOM 1405 CA LYS A 93 6.291 -0.132 -4.167 1.00 0.00 C ATOM 1406 C LYS A 93 7.215 -1.043 -3.366 1.00 0.00 C ATOM 1407 O LYS A 93 8.427 -0.829 -3.326 1.00 0.00 O ATOM 1408 CB LYS A 93 6.640 -0.109 -5.656 1.00 0.00 C ATOM 1409 CG LYS A 93 6.839 -1.526 -6.233 1.00 0.00 C ATOM 1410 CD LYS A 93 7.142 -1.525 -7.740 1.00 0.00 C ATOM 1411 CE LYS A 93 8.503 -0.893 -8.065 1.00 0.00 C ATOM 1412 NZ LYS A 93 8.786 -0.929 -9.525 1.00 0.00 N ATOM 0 H LYS A 93 7.235 1.673 -3.735 1.00 0.00 H new ATOM 0 HA LYS A 93 5.282 -0.536 -4.083 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.846 0.396 -6.205 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.550 0.472 -5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.657 -2.016 -5.704 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.941 -2.116 -6.049 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.122 -2.549 -8.112 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.357 -0.980 -8.265 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.519 0.139 -7.716 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.289 -1.423 -7.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.713 -0.494 -9.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.795 -1.916 -9.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.048 -0.402 -10.035 1.00 0.00 H new ATOM 1426 N ALA A 94 6.637 -2.050 -2.724 1.00 0.00 N ATOM 1427 CA ALA A 94 7.349 -2.997 -1.877 1.00 0.00 C ATOM 1428 C ALA A 94 6.804 -4.434 -1.960 1.00 0.00 C ATOM 1429 O ALA A 94 5.649 -4.649 -2.325 1.00 0.00 O ATOM 1430 CB ALA A 94 7.303 -2.463 -0.444 1.00 0.00 C ATOM 0 H ALA A 94 5.635 -2.235 -2.780 1.00 0.00 H new ATOM 0 HA ALA A 94 8.377 -3.074 -2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.829 -3.151 0.218 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.782 -1.485 -0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.265 -2.372 -0.123 1.00 0.00 H new ATOM 1436 N GLU A 95 7.635 -5.420 -1.613 1.00 0.00 N ATOM 1437 CA GLU A 95 7.260 -6.839 -1.570 1.00 0.00 C ATOM 1438 C GLU A 95 8.072 -7.598 -0.504 1.00 0.00 C ATOM 1439 O GLU A 95 9.277 -7.383 -0.357 1.00 0.00 O ATOM 1440 CB GLU A 95 7.464 -7.445 -2.966 1.00 0.00 C ATOM 1441 CG GLU A 95 7.186 -8.950 -3.066 1.00 0.00 C ATOM 1442 CD GLU A 95 7.355 -9.435 -4.519 1.00 0.00 C ATOM 1443 OE1 GLU A 95 6.384 -9.358 -5.310 1.00 0.00 O ATOM 1444 OE2 GLU A 95 8.467 -9.892 -4.885 1.00 0.00 O ATOM 0 H GLU A 95 8.606 -5.253 -1.349 1.00 0.00 H new ATOM 0 HA GLU A 95 6.211 -6.929 -1.288 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.816 -6.923 -3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.491 -7.259 -3.280 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.867 -9.496 -2.413 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.174 -9.163 -2.721 1.00 0.00 H new ATOM 1451 N ASP A 96 7.409 -8.493 0.232 1.00 0.00 N ATOM 1452 CA ASP A 96 7.983 -9.356 1.266 1.00 0.00 C ATOM 1453 C ASP A 96 7.357 -10.759 1.243 1.00 0.00 C ATOM 1454 O ASP A 96 6.189 -10.911 0.880 1.00 0.00 O ATOM 1455 CB ASP A 96 7.762 -8.734 2.653 1.00 0.00 C ATOM 1456 CG ASP A 96 8.680 -9.378 3.702 1.00 0.00 C ATOM 1457 OD1 ASP A 96 9.917 -9.370 3.497 1.00 0.00 O ATOM 1458 OD2 ASP A 96 8.170 -9.884 4.727 1.00 0.00 O ATOM 0 H ASP A 96 6.407 -8.643 0.117 1.00 0.00 H new ATOM 0 HA ASP A 96 9.050 -9.448 1.061 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.952 -7.662 2.608 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.721 -8.861 2.950 1.00 0.00 H new ATOM 1463 N THR A 97 8.094 -11.782 1.682 1.00 0.00 N ATOM 1464 CA THR A 97 7.567 -13.152 1.814 1.00 0.00 C ATOM 1465 C THR A 97 8.022 -13.783 3.135 1.00 0.00 C ATOM 1466 O THR A 97 9.198 -13.688 3.494 1.00 0.00 O ATOM 1467 CB THR A 97 7.957 -14.063 0.636 1.00 0.00 C ATOM 1468 OG1 THR A 97 7.992 -13.379 -0.603 1.00 0.00 O ATOM 1469 CG2 THR A 97 6.952 -15.200 0.468 1.00 0.00 C ATOM 0 H THR A 97 9.072 -11.689 1.957 1.00 0.00 H new ATOM 0 HA THR A 97 6.481 -13.064 1.806 1.00 0.00 H new ATOM 0 HB THR A 97 8.952 -14.433 0.883 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.246 -14.003 -1.314 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.251 -15.829 -0.371 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.924 -15.799 1.378 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.962 -14.785 0.276 1.00 0.00 H new ATOM 1477 N ILE A 98 7.098 -14.419 3.865 1.00 0.00 N ATOM 1478 CA ILE A 98 7.332 -15.042 5.180 1.00 0.00 C ATOM 1479 C ILE A 98 6.975 -16.524 5.147 1.00 0.00 C ATOM 1480 O ILE A 98 5.842 -16.872 4.830 1.00 0.00 O ATOM 1481 CB ILE A 98 6.480 -14.367 6.282 1.00 0.00 C ATOM 1482 CG1 ILE A 98 6.423 -12.832 6.146 1.00 0.00 C ATOM 1483 CG2 ILE A 98 7.012 -14.772 7.665 1.00 0.00 C ATOM 1484 CD1 ILE A 98 5.669 -12.096 7.263 1.00 0.00 C ATOM 0 H ILE A 98 6.133 -14.519 3.549 1.00 0.00 H new ATOM 0 HA ILE A 98 8.391 -14.915 5.407 1.00 0.00 H new ATOM 0 HB ILE A 98 5.455 -14.719 6.163 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.443 -12.450 6.108 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.955 -12.586 5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.411 -14.296 8.440 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.953 -15.855 7.775 1.00 0.00 H new ATOM 0 HG23 ILE A 98 8.050 -14.453 7.763 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.689 -11.023 7.070 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.635 -12.440 7.292 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.147 -12.301 8.221 1.00 0.00 H new ATOM 1496 N SER A 99 7.879 -17.408 5.546 1.00 0.00 N ATOM 1497 CA SER A 99 7.570 -18.840 5.669 1.00 0.00 C ATOM 1498 C SER A 99 6.860 -19.101 7.004 1.00 0.00 C ATOM 1499 O SER A 99 7.237 -18.543 8.039 1.00 0.00 O ATOM 1500 CB SER A 99 8.829 -19.691 5.490 1.00 0.00 C ATOM 1501 OG SER A 99 9.872 -19.281 6.364 1.00 0.00 O ATOM 0 H SER A 99 8.838 -17.165 5.793 1.00 0.00 H new ATOM 0 HA SER A 99 6.890 -19.136 4.870 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.589 -20.738 5.676 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.171 -19.621 4.458 1.00 0.00 H new ATOM 0 HG SER A 99 10.659 -19.848 6.223 1.00 0.00 H new ATOM 1507 N ILE A 100 5.809 -19.925 6.987 1.00 0.00 N ATOM 1508 CA ILE A 100 4.967 -20.240 8.154 1.00 0.00 C ATOM 1509 C ILE A 100 4.696 -21.750 8.309 1.00 0.00 C ATOM 1510 O ILE A 100 5.175 -22.580 7.535 1.00 0.00 O ATOM 1511 CB ILE A 100 3.680 -19.363 8.172 1.00 0.00 C ATOM 1512 CG1 ILE A 100 2.794 -19.397 6.906 1.00 0.00 C ATOM 1513 CG2 ILE A 100 4.053 -17.892 8.441 1.00 0.00 C ATOM 1514 CD1 ILE A 100 2.031 -20.706 6.685 1.00 0.00 C ATOM 0 H ILE A 100 5.508 -20.407 6.140 1.00 0.00 H new ATOM 0 HA ILE A 100 5.532 -19.974 9.047 1.00 0.00 H new ATOM 0 HB ILE A 100 3.081 -19.810 8.966 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.075 -18.580 6.962 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.423 -19.209 6.036 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.149 -17.284 8.452 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.555 -17.814 9.406 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.720 -17.536 7.656 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.439 -20.632 5.773 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.740 -21.529 6.592 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.371 -20.890 7.533 1.00 0.00 H new ATOM 1526 N LEU A 101 3.952 -22.111 9.357 1.00 0.00 N ATOM 1527 CA LEU A 101 3.602 -23.476 9.761 1.00 0.00 C ATOM 1528 C LEU A 101 2.125 -23.549 10.204 1.00 0.00 C ATOM 1529 O LEU A 101 1.538 -22.505 10.507 1.00 0.00 O ATOM 1530 CB LEU A 101 4.526 -23.821 10.951 1.00 0.00 C ATOM 1531 CG LEU A 101 6.009 -24.062 10.604 1.00 0.00 C ATOM 1532 CD1 LEU A 101 6.801 -24.272 11.895 1.00 0.00 C ATOM 1533 CD2 LEU A 101 6.206 -25.296 9.721 1.00 0.00 C ATOM 0 H LEU A 101 3.552 -21.415 9.986 1.00 0.00 H new ATOM 0 HA LEU A 101 3.729 -24.175 8.934 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.470 -23.010 11.677 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.138 -24.714 11.441 1.00 0.00 H new ATOM 0 HG LEU A 101 6.359 -23.187 10.057 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.850 -24.443 11.654 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.712 -23.386 12.524 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.406 -25.137 12.428 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.267 -25.423 9.504 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.834 -26.179 10.241 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.658 -25.167 8.788 1.00 0.00 H new ATOM 1545 N PRO A 102 1.515 -24.751 10.312 1.00 0.00 N ATOM 1546 CA PRO A 102 0.134 -24.907 10.790 1.00 0.00 C ATOM 1547 C PRO A 102 -0.087 -24.401 12.233 1.00 0.00 C ATOM 1548 O PRO A 102 -1.225 -24.160 12.637 1.00 0.00 O ATOM 1549 CB PRO A 102 -0.194 -26.397 10.629 1.00 0.00 C ATOM 1550 CG PRO A 102 1.172 -27.078 10.669 1.00 0.00 C ATOM 1551 CD PRO A 102 2.083 -26.057 9.992 1.00 0.00 C ATOM 0 HA PRO A 102 -0.542 -24.283 10.205 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.842 -26.753 11.430 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -0.711 -26.593 9.690 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.489 -27.287 11.691 1.00 0.00 H new ATOM 0 HG3 PRO A 102 1.165 -28.029 10.136 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.106 -26.140 10.359 1.00 0.00 H new ATOM 0 HD3 PRO A 102 2.117 -26.216 8.914 1.00 0.00 H new ATOM 1559 N ASP A 103 0.992 -24.180 12.995 1.00 0.00 N ATOM 1560 CA ASP A 103 0.989 -23.589 14.344 1.00 0.00 C ATOM 1561 C ASP A 103 0.705 -22.061 14.334 1.00 0.00 C ATOM 1562 O ASP A 103 0.625 -21.430 15.388 1.00 0.00 O ATOM 1563 CB ASP A 103 2.347 -23.900 14.996 1.00 0.00 C ATOM 1564 CG ASP A 103 2.377 -23.600 16.506 1.00 0.00 C ATOM 1565 OD1 ASP A 103 1.550 -24.174 17.257 1.00 0.00 O ATOM 1566 OD2 ASP A 103 3.266 -22.837 16.958 1.00 0.00 O ATOM 0 H ASP A 103 1.932 -24.417 12.677 1.00 0.00 H new ATOM 0 HA ASP A 103 0.176 -24.029 14.921 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.588 -24.951 14.836 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.123 -23.316 14.501 1.00 0.00 H new ATOM 1571 N ASP A 104 0.548 -21.461 13.145 1.00 0.00 N ATOM 1572 CA ASP A 104 0.272 -20.037 12.891 1.00 0.00 C ATOM 1573 C ASP A 104 1.300 -19.044 13.509 1.00 0.00 C ATOM 1574 O ASP A 104 0.908 -18.114 14.221 1.00 0.00 O ATOM 1575 CB ASP A 104 -1.203 -19.748 13.247 1.00 0.00 C ATOM 1576 CG ASP A 104 -1.731 -18.464 12.592 1.00 0.00 C ATOM 1577 OD1 ASP A 104 -1.680 -18.371 11.343 1.00 0.00 O ATOM 1578 OD2 ASP A 104 -2.231 -17.563 13.309 1.00 0.00 O ATOM 0 H ASP A 104 0.615 -21.992 12.277 1.00 0.00 H new ATOM 0 HA ASP A 104 0.415 -19.848 11.827 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -1.820 -20.591 12.934 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -1.302 -19.666 14.329 1.00 0.00 H new ATOM 1583 N PRO A 105 2.623 -19.214 13.272 1.00 0.00 N ATOM 1584 CA PRO A 105 3.666 -18.362 13.861 1.00 0.00 C ATOM 1585 C PRO A 105 3.727 -16.925 13.308 1.00 0.00 C ATOM 1586 O PRO A 105 4.099 -16.014 14.050 1.00 0.00 O ATOM 1587 CB PRO A 105 4.982 -19.106 13.602 1.00 0.00 C ATOM 1588 CG PRO A 105 4.711 -19.878 12.313 1.00 0.00 C ATOM 1589 CD PRO A 105 3.236 -20.253 12.453 1.00 0.00 C ATOM 0 HA PRO A 105 3.452 -18.211 14.919 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.817 -18.415 13.487 1.00 0.00 H new ATOM 0 HB3 PRO A 105 5.233 -19.775 14.425 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.892 -19.267 11.429 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.347 -20.759 12.227 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.756 -20.311 11.476 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.127 -21.231 12.921 1.00 0.00 H new ATOM 1597 N ARG A 106 3.364 -16.709 12.028 1.00 0.00 N ATOM 1598 CA ARG A 106 3.349 -15.398 11.322 1.00 0.00 C ATOM 1599 C ARG A 106 4.596 -14.517 11.562 1.00 0.00 C ATOM 1600 O ARG A 106 4.500 -13.294 11.680 1.00 0.00 O ATOM 1601 CB ARG A 106 2.015 -14.687 11.647 1.00 0.00 C ATOM 1602 CG ARG A 106 0.811 -15.353 10.955 1.00 0.00 C ATOM 1603 CD ARG A 106 -0.441 -15.380 11.835 1.00 0.00 C ATOM 1604 NE ARG A 106 -0.893 -14.049 12.277 1.00 0.00 N ATOM 1605 CZ ARG A 106 -1.849 -13.828 13.164 1.00 0.00 C ATOM 1606 NH1 ARG A 106 -2.504 -14.799 13.740 1.00 0.00 N ATOM 1607 NH2 ARG A 106 -2.171 -12.610 13.495 1.00 0.00 N ATOM 0 H ARG A 106 3.059 -17.473 11.425 1.00 0.00 H new ATOM 0 HA ARG A 106 3.408 -15.589 10.250 1.00 0.00 H new ATOM 0 HB2 ARG A 106 1.858 -14.690 12.726 1.00 0.00 H new ATOM 0 HB3 ARG A 106 2.077 -13.644 11.337 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.588 -14.819 10.031 1.00 0.00 H new ATOM 0 HG3 ARG A 106 1.076 -16.373 10.678 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.249 -15.862 11.285 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.242 -15.995 12.713 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.433 -13.236 11.868 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.285 -15.768 13.511 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.235 -14.588 14.419 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -1.685 -11.821 13.070 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -2.909 -12.446 14.180 1.00 0.00 H new ATOM 1621 N GLN A 107 5.779 -15.138 11.642 1.00 0.00 N ATOM 1622 CA GLN A 107 7.070 -14.482 11.903 1.00 0.00 C ATOM 1623 C GLN A 107 7.332 -13.261 11.000 1.00 0.00 C ATOM 1624 O GLN A 107 8.445 -12.720 10.945 1.00 0.00 O ATOM 1625 CB GLN A 107 8.207 -15.524 11.866 1.00 0.00 C ATOM 1626 CG GLN A 107 8.495 -16.114 10.472 1.00 0.00 C ATOM 1627 CD GLN A 107 9.618 -17.155 10.493 1.00 0.00 C ATOM 1628 OE1 GLN A 107 10.596 -17.061 11.227 1.00 0.00 O ATOM 1629 NE2 GLN A 107 9.533 -18.195 9.693 1.00 0.00 N ATOM 0 H GLN A 107 5.869 -16.147 11.523 1.00 0.00 H new ATOM 0 HA GLN A 107 7.032 -14.062 12.908 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.118 -15.061 12.245 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.957 -16.339 12.546 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.587 -16.573 10.081 1.00 0.00 H new ATOM 0 HG3 GLN A 107 8.764 -15.308 9.789 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.730 -18.297 9.073 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.270 -18.900 9.693 1.00 0.00 H new TER 1638 GLN A 107 HETATM 1639 ZN ZN A 108 -1.816 17.426 -6.451 1.00 0.00 ZN HETATM 1640 ZN ZN A 109 -4.252 20.080 -3.757 1.00 0.00 ZN HETATM 1641 ZN ZN A 110 -0.411 5.341 -0.577 1.00 0.00 ZN