USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 935 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 SER OG : rot -96:sc= 1.24 USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 80 THR OG1 : rot -150:sc= 0 USER MOD Set 2.2: A 86 SER OG : rot -110:sc= 1.24 USER MOD Set 3.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 83 SER OG : rot 74:sc= 0.988 USER MOD Set 4.1: A 28 THR OG1 : rot 180:sc= 1.01 USER MOD Set 4.2: A 47 THR OG1 : rot -142:sc= 1.25 USER MOD Set 5.1: A 43 THR OG1 : rot 180:sc= -0.528 USER MOD Set 5.2: A 57 ASN : amide:sc= -0.0957 X(o=-0.62,f=-0.77) USER MOD Set 6.1: A 17 THR OG1 : rot 38:sc= 0.484 USER MOD Set 6.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASN : amide:sc= -10.8! C(o=-11!,f=-5.4!) USER MOD Single : A 1 ASN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -168:sc= -0.018 (180deg=-0.215) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -49:sc= 0.445 USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= -0.0682 (180deg=-0.43) USER MOD Single : A 31 TYR OH : rot 150:sc= 0 USER MOD Single : A 32 THR OG1 : rot -142:sc= -0.273! USER MOD Single : A 40 SER OG : rot 140:sc= -1.02 USER MOD Single : A 41 HIS : no HE2:sc= -0.0258 X(o=-0.026,f=-0.25) USER MOD Single : A 42 SER OG : rot -39:sc= 0.0918 USER MOD Single : A 44 GLN : amide:sc= -0.995 K(o=-1,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -13.5! C(o=-13!,f=-9.8!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 172:sc= 0.0206 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0511) USER MOD Single : A 67 HIS : no HD1:sc= -0.659 K(o=-0.66,f=-3.6) USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 75 GLN : amide:sc= -0.0526 K(o=-0.053,f=-0.7) USER MOD Single : A 79 LYS NZ :NH3+ 143:sc= -0.577 (180deg=-2.85!) USER MOD Single : A 87 GLN : amide:sc= -5.43! K(o=-5.4!,f=-2) USER MOD Single : A 91 SER OG : rot -8:sc= 1.02 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 126:sc= 1.23 USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 116 SER OG : rot -95:sc= 0.846 USER MOD Single : A 117 HIS : no HD1:sc= -0.203 X(o=-0.2,f=-0.2) USER MOD Single : A 121 GLN : amide:sc= -1.73! K(o=-1.7!,f=-0.076) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 1 31.566 -1.129 -1.568 1.00 0.00 N ATOM 21 CA ASN A 1 30.559 -0.135 -1.925 1.00 0.00 C ATOM 22 C ASN A 1 29.522 -0.725 -2.873 1.00 0.00 C ATOM 23 O ASN A 1 29.854 -1.507 -3.763 1.00 0.00 O ATOM 24 CB ASN A 1 31.220 1.083 -2.576 1.00 0.00 C ATOM 25 CG ASN A 1 31.034 2.348 -1.767 1.00 0.00 C ATOM 26 OD1 ASN A 1 31.922 3.199 -1.708 1.00 0.00 O ATOM 27 ND2 ASN A 1 29.872 2.482 -1.144 1.00 0.00 N ATOM 0 H1 ASN A 1 32.261 -0.703 -0.922 1.00 0.00 H new ATOM 0 H2 ASN A 1 31.107 -1.936 -1.099 1.00 0.00 H new ATOM 0 H3 ASN A 1 32.049 -1.458 -2.428 1.00 0.00 H new ATOM 0 HA ASN A 1 30.056 0.176 -1.010 1.00 0.00 H new ATOM 0 HB2 ASN A 1 32.285 0.890 -2.701 1.00 0.00 H new ATOM 0 HB3 ASN A 1 30.803 1.229 -3.572 1.00 0.00 H new ATOM 0 HD21 ASN A 1 29.685 3.316 -0.588 1.00 0.00 H new ATOM 0 HD22 ASN A 1 29.165 1.751 -1.221 1.00 0.00 H new ATOM 34 N CYS A 2 28.263 -0.344 -2.677 1.00 0.00 N ATOM 35 CA CYS A 2 27.180 -0.832 -3.519 1.00 0.00 C ATOM 36 C CYS A 2 26.884 0.162 -4.635 1.00 0.00 C ATOM 37 O CYS A 2 27.392 1.284 -4.626 1.00 0.00 O ATOM 38 CB CYS A 2 25.920 -1.077 -2.687 1.00 0.00 C ATOM 39 SG CYS A 2 25.994 -2.571 -1.644 1.00 0.00 S ATOM 0 H CYS A 2 27.970 0.301 -1.943 1.00 0.00 H new ATOM 0 HA CYS A 2 27.493 -1.777 -3.964 1.00 0.00 H new ATOM 0 HB2 CYS A 2 25.745 -0.210 -2.050 1.00 0.00 H new ATOM 0 HB3 CYS A 2 25.065 -1.158 -3.358 1.00 0.00 H new ATOM 44 N GLY A 3 26.066 -0.250 -5.594 1.00 0.00 N ATOM 45 CA GLY A 3 25.703 0.642 -6.676 1.00 0.00 C ATOM 46 C GLY A 3 24.774 1.736 -6.184 1.00 0.00 C ATOM 47 O GLY A 3 24.010 1.509 -5.247 1.00 0.00 O ATOM 0 H GLY A 3 25.650 -1.180 -5.642 1.00 0.00 H new ATOM 0 HA2 GLY A 3 26.602 1.087 -7.104 1.00 0.00 H new ATOM 0 HA3 GLY A 3 25.217 0.077 -7.472 1.00 0.00 H new ATOM 51 N PRO A 4 24.816 2.939 -6.784 1.00 0.00 N ATOM 52 CA PRO A 4 23.960 4.055 -6.370 1.00 0.00 C ATOM 53 C PRO A 4 22.531 3.610 -6.061 1.00 0.00 C ATOM 54 O PRO A 4 21.871 2.995 -6.899 1.00 0.00 O ATOM 55 CB PRO A 4 24.003 4.976 -7.584 1.00 0.00 C ATOM 56 CG PRO A 4 25.371 4.769 -8.139 1.00 0.00 C ATOM 57 CD PRO A 4 25.694 3.313 -7.912 1.00 0.00 C ATOM 0 HA PRO A 4 24.300 4.527 -5.448 1.00 0.00 H new ATOM 0 HB2 PRO A 4 23.233 4.716 -8.311 1.00 0.00 H new ATOM 0 HB3 PRO A 4 23.838 6.016 -7.303 1.00 0.00 H new ATOM 0 HG2 PRO A 4 25.403 5.015 -9.200 1.00 0.00 H new ATOM 0 HG3 PRO A 4 26.096 5.412 -7.640 1.00 0.00 H new ATOM 0 HD2 PRO A 4 25.487 2.713 -8.798 1.00 0.00 H new ATOM 0 HD3 PRO A 4 26.746 3.168 -7.667 1.00 0.00 H new ATOM 65 N PRO A 5 22.041 3.917 -4.842 1.00 0.00 N ATOM 66 CA PRO A 5 20.695 3.541 -4.401 1.00 0.00 C ATOM 67 C PRO A 5 19.632 3.732 -5.478 1.00 0.00 C ATOM 68 O PRO A 5 19.388 4.850 -5.932 1.00 0.00 O ATOM 69 CB PRO A 5 20.447 4.485 -3.228 1.00 0.00 C ATOM 70 CG PRO A 5 21.798 4.697 -2.640 1.00 0.00 C ATOM 71 CD PRO A 5 22.766 4.666 -3.795 1.00 0.00 C ATOM 0 HA PRO A 5 20.633 2.482 -4.149 1.00 0.00 H new ATOM 0 HB2 PRO A 5 20.005 5.425 -3.559 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.761 4.048 -2.503 1.00 0.00 H new ATOM 0 HG2 PRO A 5 21.849 5.650 -2.114 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.033 3.919 -1.913 1.00 0.00 H new ATOM 0 HD2 PRO A 5 23.024 5.671 -4.128 1.00 0.00 H new ATOM 0 HD3 PRO A 5 23.698 4.172 -3.522 1.00 0.00 H new ATOM 79 N PRO A 6 18.986 2.630 -5.901 1.00 0.00 N ATOM 80 CA PRO A 6 17.935 2.668 -6.922 1.00 0.00 C ATOM 81 C PRO A 6 16.696 3.407 -6.436 1.00 0.00 C ATOM 82 O PRO A 6 16.658 3.984 -5.349 1.00 0.00 O ATOM 83 CB PRO A 6 17.602 1.190 -7.153 1.00 0.00 C ATOM 84 CG PRO A 6 18.043 0.496 -5.911 1.00 0.00 C ATOM 85 CD PRO A 6 19.234 1.260 -5.414 1.00 0.00 C ATOM 0 HA PRO A 6 18.261 3.192 -7.820 1.00 0.00 H new ATOM 0 HB2 PRO A 6 16.535 1.048 -7.327 1.00 0.00 H new ATOM 0 HB3 PRO A 6 18.122 0.801 -8.028 1.00 0.00 H new ATOM 0 HG2 PRO A 6 17.247 0.485 -5.166 1.00 0.00 H new ATOM 0 HG3 PRO A 6 18.303 -0.543 -6.115 1.00 0.00 H new ATOM 0 HD2 PRO A 6 19.308 1.227 -4.327 1.00 0.00 H new ATOM 0 HD3 PRO A 6 20.165 0.855 -5.810 1.00 0.00 H new ATOM 93 N THR A 7 15.686 3.359 -7.298 1.00 0.00 N ATOM 94 CA THR A 7 14.411 4.003 -7.030 1.00 0.00 C ATOM 95 C THR A 7 13.422 2.982 -6.480 1.00 0.00 C ATOM 96 O THR A 7 13.299 1.880 -7.015 1.00 0.00 O ATOM 97 CB THR A 7 13.832 4.655 -8.300 1.00 0.00 C ATOM 98 OG1 THR A 7 12.690 5.453 -7.967 1.00 0.00 O ATOM 99 CG2 THR A 7 13.436 3.603 -9.326 1.00 0.00 C ATOM 0 H THR A 7 15.730 2.876 -8.195 1.00 0.00 H new ATOM 0 HA THR A 7 14.579 4.788 -6.293 1.00 0.00 H new ATOM 0 HB THR A 7 14.606 5.288 -8.735 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.330 5.865 -8.780 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.031 4.093 -10.211 1.00 0.00 H new ATOM 0 HG22 THR A 7 14.313 3.018 -9.604 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.681 2.944 -8.898 1.00 0.00 H new ATOM 107 N LEU A 8 12.724 3.339 -5.410 1.00 0.00 N ATOM 108 CA LEU A 8 11.751 2.432 -4.817 1.00 0.00 C ATOM 109 C LEU A 8 10.333 2.949 -4.997 1.00 0.00 C ATOM 110 O LEU A 8 9.951 3.954 -4.403 1.00 0.00 O ATOM 111 CB LEU A 8 12.044 2.246 -3.328 1.00 0.00 C ATOM 112 CG LEU A 8 13.484 1.853 -2.991 1.00 0.00 C ATOM 113 CD1 LEU A 8 13.655 1.710 -1.487 1.00 0.00 C ATOM 114 CD2 LEU A 8 13.867 0.563 -3.700 1.00 0.00 C ATOM 0 H LEU A 8 12.812 4.240 -4.939 1.00 0.00 H new ATOM 0 HA LEU A 8 11.834 1.473 -5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 8 11.807 3.175 -2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.374 1.481 -2.935 1.00 0.00 H new ATOM 0 HG LEU A 8 14.149 2.643 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.684 1.430 -1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.423 2.659 -1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 8 12.980 0.939 -1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.894 0.300 -3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.199 -0.238 -3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.782 0.701 -4.778 1.00 0.00 H new ATOM 126 N SER A 9 9.556 2.263 -5.826 1.00 0.00 N ATOM 127 CA SER A 9 8.173 2.653 -6.054 1.00 0.00 C ATOM 128 C SER A 9 7.328 2.271 -4.847 1.00 0.00 C ATOM 129 O SER A 9 6.212 2.760 -4.670 1.00 0.00 O ATOM 130 CB SER A 9 7.625 1.984 -7.318 1.00 0.00 C ATOM 131 OG SER A 9 7.627 0.573 -7.189 1.00 0.00 O ATOM 0 H SER A 9 9.858 1.440 -6.347 1.00 0.00 H new ATOM 0 HA SER A 9 8.131 3.733 -6.195 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.610 2.334 -7.508 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.228 2.275 -8.178 1.00 0.00 H new ATOM 0 HG SER A 9 7.271 0.169 -8.008 1.00 0.00 H new ATOM 137 N PHE A 10 7.880 1.388 -4.022 1.00 0.00 N ATOM 138 CA PHE A 10 7.205 0.930 -2.814 1.00 0.00 C ATOM 139 C PHE A 10 7.811 1.598 -1.588 1.00 0.00 C ATOM 140 O PHE A 10 7.916 0.987 -0.524 1.00 0.00 O ATOM 141 CB PHE A 10 7.305 -0.591 -2.688 1.00 0.00 C ATOM 142 CG PHE A 10 8.650 -1.151 -3.058 1.00 0.00 C ATOM 143 CD1 PHE A 10 8.958 -1.425 -4.381 1.00 0.00 C ATOM 144 CD2 PHE A 10 9.603 -1.406 -2.084 1.00 0.00 C ATOM 145 CE1 PHE A 10 10.191 -1.944 -4.725 1.00 0.00 C ATOM 146 CE2 PHE A 10 10.839 -1.924 -2.423 1.00 0.00 C ATOM 147 CZ PHE A 10 11.133 -2.193 -3.746 1.00 0.00 C ATOM 0 H PHE A 10 8.800 0.973 -4.170 1.00 0.00 H new ATOM 0 HA PHE A 10 6.152 1.204 -2.881 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.075 -0.876 -1.661 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.546 -1.048 -3.323 1.00 0.00 H new ATOM 0 HD1 PHE A 10 8.226 -1.231 -5.151 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.377 -1.198 -1.049 1.00 0.00 H new ATOM 0 HE1 PHE A 10 10.418 -2.155 -5.759 1.00 0.00 H new ATOM 0 HE2 PHE A 10 11.573 -2.118 -1.655 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.098 -2.597 -4.014 1.00 0.00 H new ATOM 157 N ALA A 11 8.169 2.869 -1.752 1.00 0.00 N ATOM 158 CA ALA A 11 8.772 3.671 -0.692 1.00 0.00 C ATOM 159 C ALA A 11 9.424 4.906 -1.296 1.00 0.00 C ATOM 160 O ALA A 11 9.223 5.241 -2.462 1.00 0.00 O ATOM 161 CB ALA A 11 9.777 2.868 0.124 1.00 0.00 C ATOM 0 H ALA A 11 8.048 3.374 -2.630 1.00 0.00 H new ATOM 0 HA ALA A 11 7.984 3.980 -0.006 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.203 3.501 0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.275 2.016 0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.573 2.511 -0.529 1.00 0.00 H new ATOM 167 N ALA A 12 10.192 5.581 -0.452 1.00 0.00 N ATOM 168 CA ALA A 12 10.861 6.806 -0.865 1.00 0.00 C ATOM 169 C ALA A 12 11.912 7.231 0.156 1.00 0.00 C ATOM 170 O ALA A 12 11.722 7.051 1.359 1.00 0.00 O ATOM 171 CB ALA A 12 9.847 7.921 -1.077 1.00 0.00 C ATOM 0 H ALA A 12 10.366 5.304 0.514 1.00 0.00 H new ATOM 0 HA ALA A 12 11.368 6.609 -1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.364 8.829 -1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.139 7.626 -1.851 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.311 8.107 -0.146 1.00 0.00 H new ATOM 177 N PRO A 13 13.041 7.799 -0.311 1.00 0.00 N ATOM 178 CA PRO A 13 14.114 8.255 0.577 1.00 0.00 C ATOM 179 C PRO A 13 13.572 9.132 1.696 1.00 0.00 C ATOM 180 O PRO A 13 12.582 9.843 1.524 1.00 0.00 O ATOM 181 CB PRO A 13 15.022 9.066 -0.347 1.00 0.00 C ATOM 182 CG PRO A 13 14.793 8.491 -1.703 1.00 0.00 C ATOM 183 CD PRO A 13 13.356 8.044 -1.731 1.00 0.00 C ATOM 0 HA PRO A 13 14.627 7.429 1.070 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.770 10.126 -0.319 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.067 8.979 -0.051 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.985 9.233 -2.478 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.465 7.653 -1.890 1.00 0.00 H new ATOM 0 HD2 PRO A 13 12.707 8.808 -2.160 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.228 7.143 -2.331 1.00 0.00 H new ATOM 191 N MET A 14 14.238 9.073 2.844 1.00 0.00 N ATOM 192 CA MET A 14 13.818 9.843 4.006 1.00 0.00 C ATOM 193 C MET A 14 15.019 10.311 4.823 1.00 0.00 C ATOM 194 O MET A 14 14.884 11.124 5.737 1.00 0.00 O ATOM 195 CB MET A 14 12.901 8.989 4.881 1.00 0.00 C ATOM 196 CG MET A 14 11.892 9.792 5.682 1.00 0.00 C ATOM 197 SD MET A 14 10.927 8.766 6.808 1.00 0.00 S ATOM 198 CE MET A 14 9.890 9.999 7.591 1.00 0.00 C ATOM 0 H MET A 14 15.069 8.501 2.993 1.00 0.00 H new ATOM 0 HA MET A 14 13.281 10.725 3.656 1.00 0.00 H new ATOM 0 HB2 MET A 14 12.367 8.281 4.247 1.00 0.00 H new ATOM 0 HB3 MET A 14 13.512 8.404 5.568 1.00 0.00 H new ATOM 0 HG2 MET A 14 12.415 10.559 6.253 1.00 0.00 H new ATOM 0 HG3 MET A 14 11.218 10.308 4.998 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.235 9.516 8.316 1.00 0.00 H new ATOM 0 HE2 MET A 14 10.517 10.732 8.099 1.00 0.00 H new ATOM 0 HE3 MET A 14 9.286 10.500 6.834 1.00 0.00 H new ATOM 208 N ASP A 15 16.192 9.787 4.481 1.00 0.00 N ATOM 209 CA ASP A 15 17.424 10.138 5.176 1.00 0.00 C ATOM 210 C ASP A 15 18.642 9.686 4.379 1.00 0.00 C ATOM 211 O ASP A 15 19.170 8.595 4.598 1.00 0.00 O ATOM 212 CB ASP A 15 17.443 9.499 6.563 1.00 0.00 C ATOM 213 CG ASP A 15 18.604 9.985 7.410 1.00 0.00 C ATOM 214 OD1 ASP A 15 19.733 9.490 7.208 1.00 0.00 O ATOM 215 OD2 ASP A 15 18.383 10.857 8.277 1.00 0.00 O ATOM 0 H ASP A 15 16.314 9.115 3.723 1.00 0.00 H new ATOM 0 HA ASP A 15 17.462 11.222 5.280 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.506 9.721 7.075 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.501 8.415 6.460 1.00 0.00 H new ATOM 220 N ILE A 16 19.078 10.528 3.448 1.00 0.00 N ATOM 221 CA ILE A 16 20.225 10.223 2.615 1.00 0.00 C ATOM 222 C ILE A 16 20.625 11.417 1.768 1.00 0.00 C ATOM 223 O ILE A 16 20.004 11.698 0.744 1.00 0.00 O ATOM 224 CB ILE A 16 19.938 9.037 1.679 1.00 0.00 C ATOM 225 CG1 ILE A 16 21.008 8.943 0.587 1.00 0.00 C ATOM 226 CG2 ILE A 16 18.548 9.159 1.075 1.00 0.00 C ATOM 227 CD1 ILE A 16 20.755 7.852 -0.432 1.00 0.00 C ATOM 0 H ILE A 16 18.648 11.432 3.254 1.00 0.00 H new ATOM 0 HA ILE A 16 21.040 9.965 3.291 1.00 0.00 H new ATOM 0 HB ILE A 16 19.972 8.117 2.263 1.00 0.00 H new ATOM 0 HG12 ILE A 16 21.070 9.901 0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 16 21.977 8.770 1.056 1.00 0.00 H new ATOM 0 HG21 ILE A 16 18.362 8.311 0.415 1.00 0.00 H new ATOM 0 HG22 ILE A 16 17.805 9.168 1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 16 18.479 10.085 0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 16 21.557 7.851 -1.171 1.00 0.00 H new ATOM 0 HD12 ILE A 16 20.723 6.885 0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 16 19.803 8.033 -0.930 1.00 0.00 H new ATOM 239 N THR A 17 21.644 12.133 2.207 1.00 0.00 N ATOM 240 CA THR A 17 22.132 13.266 1.444 1.00 0.00 C ATOM 241 C THR A 17 22.551 12.793 0.063 1.00 0.00 C ATOM 242 O THR A 17 23.473 11.990 -0.072 1.00 0.00 O ATOM 243 CB THR A 17 23.328 13.951 2.121 1.00 0.00 C ATOM 244 OG1 THR A 17 24.355 12.989 2.391 1.00 0.00 O ATOM 245 CG2 THR A 17 22.908 14.630 3.417 1.00 0.00 C ATOM 0 H THR A 17 22.144 11.953 3.077 1.00 0.00 H new ATOM 0 HA THR A 17 21.323 13.994 1.379 1.00 0.00 H new ATOM 0 HB THR A 17 23.711 14.712 1.442 1.00 0.00 H new ATOM 0 HG1 THR A 17 24.407 12.349 1.651 1.00 0.00 H new ATOM 0 HG21 THR A 17 23.774 15.107 3.875 1.00 0.00 H new ATOM 0 HG22 THR A 17 22.150 15.383 3.204 1.00 0.00 H new ATOM 0 HG23 THR A 17 22.499 13.887 4.101 1.00 0.00 H new ATOM 253 N LEU A 18 21.871 13.286 -0.960 1.00 0.00 N ATOM 254 CA LEU A 18 22.166 12.888 -2.320 1.00 0.00 C ATOM 255 C LEU A 18 23.395 13.615 -2.855 1.00 0.00 C ATOM 256 O LEU A 18 23.462 13.962 -4.034 1.00 0.00 O ATOM 257 CB LEU A 18 20.961 13.159 -3.217 1.00 0.00 C ATOM 258 CG LEU A 18 20.002 11.979 -3.387 1.00 0.00 C ATOM 259 CD1 LEU A 18 20.749 10.759 -3.908 1.00 0.00 C ATOM 260 CD2 LEU A 18 19.312 11.660 -2.069 1.00 0.00 C ATOM 0 H LEU A 18 21.112 13.962 -0.871 1.00 0.00 H new ATOM 0 HA LEU A 18 22.381 11.819 -2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.405 14.003 -2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.320 13.460 -4.201 1.00 0.00 H new ATOM 0 HG LEU A 18 19.240 12.254 -4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 18 20.053 9.928 -4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 18 21.199 10.992 -4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 18 21.531 10.482 -3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 18 18.633 10.818 -2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.060 11.403 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 18 18.747 12.530 -1.734 1.00 0.00 H new ATOM 272 N THR A 19 24.366 13.828 -1.979 1.00 0.00 N ATOM 273 CA THR A 19 25.596 14.514 -2.348 1.00 0.00 C ATOM 274 C THR A 19 26.619 13.528 -2.897 1.00 0.00 C ATOM 275 O THR A 19 27.455 13.881 -3.729 1.00 0.00 O ATOM 276 CB THR A 19 26.201 15.251 -1.141 1.00 0.00 C ATOM 277 OG1 THR A 19 26.654 14.306 -0.164 1.00 0.00 O ATOM 278 CG2 THR A 19 25.172 16.181 -0.513 1.00 0.00 C ATOM 0 H THR A 19 24.325 13.534 -1.003 1.00 0.00 H new ATOM 0 HA THR A 19 25.345 15.242 -3.120 1.00 0.00 H new ATOM 0 HB THR A 19 27.047 15.844 -1.489 1.00 0.00 H new ATOM 0 HG1 THR A 19 27.039 14.784 0.600 1.00 0.00 H new ATOM 0 HG21 THR A 19 25.617 16.694 0.339 1.00 0.00 H new ATOM 0 HG22 THR A 19 24.848 16.916 -1.250 1.00 0.00 H new ATOM 0 HG23 THR A 19 24.313 15.600 -0.178 1.00 0.00 H new ATOM 286 N GLU A 20 26.541 12.291 -2.423 1.00 0.00 N ATOM 287 CA GLU A 20 27.451 11.242 -2.861 1.00 0.00 C ATOM 288 C GLU A 20 26.778 10.339 -3.890 1.00 0.00 C ATOM 289 O GLU A 20 25.669 10.618 -4.344 1.00 0.00 O ATOM 290 CB GLU A 20 27.916 10.412 -1.663 1.00 0.00 C ATOM 291 CG GLU A 20 28.769 11.192 -0.675 1.00 0.00 C ATOM 292 CD GLU A 20 30.054 11.707 -1.292 1.00 0.00 C ATOM 293 OE1 GLU A 20 31.065 10.973 -1.258 1.00 0.00 O ATOM 294 OE2 GLU A 20 30.050 12.843 -1.811 1.00 0.00 O ATOM 0 H GLU A 20 25.854 11.989 -1.732 1.00 0.00 H new ATOM 0 HA GLU A 20 28.317 11.713 -3.326 1.00 0.00 H new ATOM 0 HB2 GLU A 20 27.042 10.018 -1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 20 28.485 9.555 -2.024 1.00 0.00 H new ATOM 0 HG2 GLU A 20 28.193 12.033 -0.289 1.00 0.00 H new ATOM 0 HG3 GLU A 20 29.009 10.553 0.175 1.00 0.00 H new ATOM 301 N THR A 21 27.457 9.256 -4.251 1.00 0.00 N ATOM 302 CA THR A 21 26.928 8.306 -5.222 1.00 0.00 C ATOM 303 C THR A 21 27.176 6.875 -4.762 1.00 0.00 C ATOM 304 O THR A 21 26.639 5.923 -5.331 1.00 0.00 O ATOM 305 CB THR A 21 27.569 8.503 -6.609 1.00 0.00 C ATOM 306 OG1 THR A 21 27.725 9.900 -6.884 1.00 0.00 O ATOM 307 CG2 THR A 21 26.718 7.865 -7.695 1.00 0.00 C ATOM 0 H THR A 21 28.378 9.014 -3.884 1.00 0.00 H new ATOM 0 HA THR A 21 25.856 8.488 -5.299 1.00 0.00 H new ATOM 0 HB THR A 21 28.546 8.021 -6.602 1.00 0.00 H new ATOM 0 HG1 THR A 21 28.134 10.016 -7.767 1.00 0.00 H new ATOM 0 HG21 THR A 21 27.191 8.018 -8.665 1.00 0.00 H new ATOM 0 HG22 THR A 21 26.623 6.797 -7.502 1.00 0.00 H new ATOM 0 HG23 THR A 21 25.729 8.323 -7.698 1.00 0.00 H new ATOM 315 N ARG A 22 27.995 6.733 -3.723 1.00 0.00 N ATOM 316 CA ARG A 22 28.328 5.424 -3.173 1.00 0.00 C ATOM 317 C ARG A 22 28.017 5.382 -1.681 1.00 0.00 C ATOM 318 O ARG A 22 27.996 6.420 -1.020 1.00 0.00 O ATOM 319 CB ARG A 22 29.802 5.119 -3.399 1.00 0.00 C ATOM 320 CG ARG A 22 30.167 4.936 -4.863 1.00 0.00 C ATOM 321 CD ARG A 22 31.658 4.711 -5.043 1.00 0.00 C ATOM 322 NE ARG A 22 32.019 4.546 -6.449 1.00 0.00 N ATOM 323 CZ ARG A 22 33.236 4.211 -6.863 1.00 0.00 C ATOM 324 NH1 ARG A 22 34.205 4.002 -5.982 1.00 0.00 N ATOM 325 NH2 ARG A 22 33.486 4.081 -8.159 1.00 0.00 N ATOM 0 H ARG A 22 28.442 7.514 -3.243 1.00 0.00 H new ATOM 0 HA ARG A 22 27.726 4.672 -3.682 1.00 0.00 H new ATOM 0 HB2 ARG A 22 30.400 5.929 -2.982 1.00 0.00 H new ATOM 0 HB3 ARG A 22 30.066 4.214 -2.851 1.00 0.00 H new ATOM 0 HG2 ARG A 22 29.618 4.088 -5.272 1.00 0.00 H new ATOM 0 HG3 ARG A 22 29.860 5.816 -5.428 1.00 0.00 H new ATOM 0 HD2 ARG A 22 32.206 5.555 -4.624 1.00 0.00 H new ATOM 0 HD3 ARG A 22 31.961 3.826 -4.484 1.00 0.00 H new ATOM 0 HE ARG A 22 31.296 4.697 -7.152 1.00 0.00 H new ATOM 0 HH11 ARG A 22 34.017 4.098 -4.984 1.00 0.00 H new ATOM 0 HH12 ARG A 22 35.139 3.745 -6.302 1.00 0.00 H new ATOM 0 HH21 ARG A 22 32.743 4.238 -8.840 1.00 0.00 H new ATOM 0 HH22 ARG A 22 34.421 3.824 -8.475 1.00 0.00 H new ATOM 339 N PHE A 23 27.784 4.184 -1.149 1.00 0.00 N ATOM 340 CA PHE A 23 27.461 4.012 0.268 1.00 0.00 C ATOM 341 C PHE A 23 27.959 2.664 0.770 1.00 0.00 C ATOM 342 O PHE A 23 27.335 1.632 0.519 1.00 0.00 O ATOM 343 CB PHE A 23 25.946 4.129 0.485 1.00 0.00 C ATOM 344 CG PHE A 23 25.374 5.427 -0.011 1.00 0.00 C ATOM 345 CD1 PHE A 23 25.064 5.589 -1.351 1.00 0.00 C ATOM 346 CD2 PHE A 23 25.167 6.490 0.854 1.00 0.00 C ATOM 347 CE1 PHE A 23 24.560 6.783 -1.821 1.00 0.00 C ATOM 348 CE2 PHE A 23 24.659 7.688 0.389 1.00 0.00 C ATOM 349 CZ PHE A 23 24.355 7.835 -0.952 1.00 0.00 C ATOM 0 H PHE A 23 27.813 3.313 -1.680 1.00 0.00 H new ATOM 0 HA PHE A 23 27.960 4.799 0.833 1.00 0.00 H new ATOM 0 HB2 PHE A 23 25.448 3.303 -0.023 1.00 0.00 H new ATOM 0 HB3 PHE A 23 25.729 4.027 1.548 1.00 0.00 H new ATOM 0 HD1 PHE A 23 25.219 4.769 -2.037 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.405 6.381 1.902 1.00 0.00 H new ATOM 0 HE1 PHE A 23 24.326 6.895 -2.869 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.499 8.509 1.072 1.00 0.00 H new ATOM 0 HZ PHE A 23 23.958 8.770 -1.318 1.00 0.00 H new ATOM 359 N LYS A 24 29.103 2.681 1.458 1.00 0.00 N ATOM 360 CA LYS A 24 29.691 1.462 2.008 1.00 0.00 C ATOM 361 C LYS A 24 28.641 0.603 2.681 1.00 0.00 C ATOM 362 O LYS A 24 27.523 1.043 2.934 1.00 0.00 O ATOM 363 CB LYS A 24 30.780 1.791 3.027 1.00 0.00 C ATOM 364 CG LYS A 24 30.439 2.948 3.952 1.00 0.00 C ATOM 365 CD LYS A 24 31.511 3.136 5.014 1.00 0.00 C ATOM 366 CE LYS A 24 31.156 4.256 5.977 1.00 0.00 C ATOM 367 NZ LYS A 24 30.975 5.556 5.275 1.00 0.00 N ATOM 0 H LYS A 24 29.640 3.528 1.647 1.00 0.00 H new ATOM 0 HA LYS A 24 30.126 0.914 1.173 1.00 0.00 H new ATOM 0 HB2 LYS A 24 30.977 0.905 3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 24 31.701 2.026 2.494 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.335 3.864 3.370 1.00 0.00 H new ATOM 0 HG3 LYS A 24 29.477 2.763 4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 24 31.641 2.207 5.568 1.00 0.00 H new ATOM 0 HD3 LYS A 24 32.464 3.357 4.534 1.00 0.00 H new ATOM 0 HE2 LYS A 24 30.240 4.000 6.509 1.00 0.00 H new ATOM 0 HE3 LYS A 24 31.942 4.354 6.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 30.936 6.325 5.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 31.774 5.715 4.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 30.088 5.537 4.732 1.00 0.00 H new ATOM 381 N THR A 25 29.018 -0.626 2.987 1.00 0.00 N ATOM 382 CA THR A 25 28.122 -1.538 3.656 1.00 0.00 C ATOM 383 C THR A 25 27.739 -0.966 5.019 1.00 0.00 C ATOM 384 O THR A 25 28.344 0.003 5.478 1.00 0.00 O ATOM 385 CB THR A 25 28.777 -2.921 3.833 1.00 0.00 C ATOM 386 OG1 THR A 25 30.053 -2.779 4.469 1.00 0.00 O ATOM 387 CG2 THR A 25 28.947 -3.630 2.490 1.00 0.00 C ATOM 0 H THR A 25 29.940 -1.011 2.781 1.00 0.00 H new ATOM 0 HA THR A 25 27.228 -1.660 3.045 1.00 0.00 H new ATOM 0 HB THR A 25 28.121 -3.527 4.458 1.00 0.00 H new ATOM 0 HG1 THR A 25 30.463 -3.662 4.580 1.00 0.00 H new ATOM 0 HG21 THR A 25 29.412 -4.603 2.649 1.00 0.00 H new ATOM 0 HG22 THR A 25 27.971 -3.766 2.024 1.00 0.00 H new ATOM 0 HG23 THR A 25 29.580 -3.028 1.838 1.00 0.00 H new ATOM 395 N GLY A 26 26.746 -1.559 5.670 1.00 0.00 N ATOM 396 CA GLY A 26 26.317 -1.085 6.976 1.00 0.00 C ATOM 397 C GLY A 26 25.698 0.307 6.941 1.00 0.00 C ATOM 398 O GLY A 26 25.162 0.771 7.948 1.00 0.00 O ATOM 0 H GLY A 26 26.227 -2.363 5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 26 25.592 -1.787 7.389 1.00 0.00 H new ATOM 0 HA3 GLY A 26 27.173 -1.077 7.651 1.00 0.00 H new ATOM 402 N THR A 27 25.789 0.984 5.793 1.00 0.00 N ATOM 403 CA THR A 27 25.245 2.334 5.608 1.00 0.00 C ATOM 404 C THR A 27 23.715 2.379 5.691 1.00 0.00 C ATOM 405 O THR A 27 23.089 3.281 5.133 1.00 0.00 O ATOM 406 CB THR A 27 25.666 2.896 4.242 1.00 0.00 C ATOM 407 OG1 THR A 27 25.465 4.315 4.208 1.00 0.00 O ATOM 408 CG2 THR A 27 24.865 2.237 3.129 1.00 0.00 C ATOM 0 H THR A 27 26.244 0.610 4.961 1.00 0.00 H new ATOM 0 HA THR A 27 25.650 2.936 6.421 1.00 0.00 H new ATOM 0 HB THR A 27 26.724 2.681 4.091 1.00 0.00 H new ATOM 0 HG1 THR A 27 24.564 4.525 4.530 1.00 0.00 H new ATOM 0 HG21 THR A 27 25.175 2.646 2.167 1.00 0.00 H new ATOM 0 HG22 THR A 27 25.043 1.162 3.141 1.00 0.00 H new ATOM 0 HG23 THR A 27 23.803 2.431 3.281 1.00 0.00 H new ATOM 416 N THR A 28 23.135 1.424 6.400 1.00 0.00 N ATOM 417 CA THR A 28 21.682 1.319 6.560 1.00 0.00 C ATOM 418 C THR A 28 20.965 2.665 6.403 1.00 0.00 C ATOM 419 O THR A 28 21.242 3.620 7.130 1.00 0.00 O ATOM 420 CB THR A 28 21.327 0.723 7.932 1.00 0.00 C ATOM 421 OG1 THR A 28 21.808 -0.623 8.023 1.00 0.00 O ATOM 422 CG2 THR A 28 19.824 0.748 8.172 1.00 0.00 C ATOM 0 H THR A 28 23.656 0.693 6.885 1.00 0.00 H new ATOM 0 HA THR A 28 21.339 0.660 5.762 1.00 0.00 H new ATOM 0 HB THR A 28 21.806 1.334 8.697 1.00 0.00 H new ATOM 0 HG1 THR A 28 21.578 -0.994 8.901 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.605 0.320 9.150 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.467 1.777 8.138 1.00 0.00 H new ATOM 0 HG23 THR A 28 19.323 0.164 7.400 1.00 0.00 H new ATOM 430 N LEU A 29 20.043 2.722 5.445 1.00 0.00 N ATOM 431 CA LEU A 29 19.294 3.949 5.171 1.00 0.00 C ATOM 432 C LEU A 29 17.927 3.923 5.850 1.00 0.00 C ATOM 433 O LEU A 29 17.595 2.976 6.564 1.00 0.00 O ATOM 434 CB LEU A 29 19.118 4.155 3.663 1.00 0.00 C ATOM 435 CG LEU A 29 20.384 4.562 2.905 1.00 0.00 C ATOM 436 CD1 LEU A 29 21.333 3.383 2.778 1.00 0.00 C ATOM 437 CD2 LEU A 29 20.028 5.106 1.530 1.00 0.00 C ATOM 0 H LEU A 29 19.796 1.935 4.845 1.00 0.00 H new ATOM 0 HA LEU A 29 19.869 4.781 5.577 1.00 0.00 H new ATOM 0 HB2 LEU A 29 18.736 3.231 3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 29 18.358 4.920 3.504 1.00 0.00 H new ATOM 0 HG LEU A 29 20.885 5.348 3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 29 22.227 3.692 2.236 1.00 0.00 H new ATOM 0 HD12 LEU A 29 21.614 3.033 3.771 1.00 0.00 H new ATOM 0 HD13 LEU A 29 20.841 2.576 2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 29 20.939 5.391 1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 29 19.505 4.339 0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 29 19.385 5.979 1.640 1.00 0.00 H new ATOM 449 N LYS A 30 17.136 4.969 5.621 1.00 0.00 N ATOM 450 CA LYS A 30 15.804 5.068 6.211 1.00 0.00 C ATOM 451 C LYS A 30 14.745 4.489 5.281 1.00 0.00 C ATOM 452 O LYS A 30 14.355 3.330 5.416 1.00 0.00 O ATOM 453 CB LYS A 30 15.459 6.527 6.528 1.00 0.00 C ATOM 454 CG LYS A 30 15.264 6.802 8.011 1.00 0.00 C ATOM 455 CD LYS A 30 16.566 6.660 8.785 1.00 0.00 C ATOM 456 CE LYS A 30 16.364 6.929 10.268 1.00 0.00 C ATOM 457 NZ LYS A 30 15.706 8.242 10.510 1.00 0.00 N ATOM 0 H LYS A 30 17.395 5.760 5.031 1.00 0.00 H new ATOM 0 HA LYS A 30 15.813 4.491 7.135 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.255 7.169 6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.549 6.800 5.994 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.868 7.809 8.146 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.523 6.112 8.415 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.965 5.655 8.647 1.00 0.00 H new ATOM 0 HD3 LYS A 30 17.306 7.354 8.386 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.758 6.134 10.702 1.00 0.00 H new ATOM 0 HE3 LYS A 30 17.328 6.907 10.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.783 8.489 11.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 16.172 8.975 9.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.702 8.181 10.245 1.00 0.00 H new ATOM 471 N TYR A 31 14.290 5.308 4.336 1.00 0.00 N ATOM 472 CA TYR A 31 13.265 4.899 3.381 1.00 0.00 C ATOM 473 C TYR A 31 11.945 4.610 4.087 1.00 0.00 C ATOM 474 O TYR A 31 11.914 4.005 5.158 1.00 0.00 O ATOM 475 CB TYR A 31 13.717 3.671 2.585 1.00 0.00 C ATOM 476 CG TYR A 31 14.676 3.990 1.462 1.00 0.00 C ATOM 477 CD1 TYR A 31 14.246 4.663 0.325 1.00 0.00 C ATOM 478 CD2 TYR A 31 16.012 3.613 1.534 1.00 0.00 C ATOM 479 CE1 TYR A 31 15.120 4.954 -0.706 1.00 0.00 C ATOM 480 CE2 TYR A 31 16.890 3.899 0.507 1.00 0.00 C ATOM 481 CZ TYR A 31 16.440 4.569 -0.610 1.00 0.00 C ATOM 482 OH TYR A 31 17.312 4.854 -1.636 1.00 0.00 O ATOM 0 H TYR A 31 14.618 6.266 4.211 1.00 0.00 H new ATOM 0 HA TYR A 31 13.112 5.725 2.687 1.00 0.00 H new ATOM 0 HB2 TYR A 31 14.191 2.963 3.265 1.00 0.00 H new ATOM 0 HB3 TYR A 31 12.839 3.175 2.171 1.00 0.00 H new ATOM 0 HD1 TYR A 31 13.212 4.964 0.245 1.00 0.00 H new ATOM 0 HD2 TYR A 31 16.369 3.088 2.407 1.00 0.00 H new ATOM 0 HE1 TYR A 31 14.770 5.480 -1.582 1.00 0.00 H new ATOM 0 HE2 TYR A 31 17.925 3.599 0.579 1.00 0.00 H new ATOM 0 HH TYR A 31 18.215 4.972 -1.274 1.00 0.00 H new ATOM 492 N THR A 32 10.856 5.051 3.473 1.00 0.00 N ATOM 493 CA THR A 32 9.534 4.842 4.048 1.00 0.00 C ATOM 494 C THR A 32 8.724 3.805 3.260 1.00 0.00 C ATOM 495 O THR A 32 9.118 2.640 3.191 1.00 0.00 O ATOM 496 CB THR A 32 8.768 6.177 4.163 1.00 0.00 C ATOM 497 OG1 THR A 32 7.372 5.945 4.387 1.00 0.00 O ATOM 498 CG2 THR A 32 8.970 7.023 2.915 1.00 0.00 C ATOM 0 H THR A 32 10.860 5.552 2.584 1.00 0.00 H new ATOM 0 HA THR A 32 9.675 4.442 5.052 1.00 0.00 H new ATOM 0 HB THR A 32 9.168 6.722 5.018 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.847 6.608 3.893 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.421 7.959 3.017 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.031 7.236 2.788 1.00 0.00 H new ATOM 0 HG23 THR A 32 8.602 6.480 2.044 1.00 0.00 H new ATOM 506 N CYS A 33 7.605 4.224 2.661 1.00 0.00 N ATOM 507 CA CYS A 33 6.742 3.311 1.907 1.00 0.00 C ATOM 508 C CYS A 33 5.458 4.014 1.475 1.00 0.00 C ATOM 509 O CYS A 33 4.735 4.602 2.280 1.00 0.00 O ATOM 510 CB CYS A 33 6.395 2.095 2.771 1.00 0.00 C ATOM 511 SG CYS A 33 4.909 1.187 2.242 1.00 0.00 S ATOM 0 H CYS A 33 7.276 5.189 2.684 1.00 0.00 H new ATOM 0 HA CYS A 33 7.279 2.986 1.015 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.243 1.410 2.768 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.255 2.425 3.800 1.00 0.00 H new ATOM 516 N LEU A 34 5.203 3.928 0.165 1.00 0.00 N ATOM 517 CA LEU A 34 4.063 4.560 -0.479 1.00 0.00 C ATOM 518 C LEU A 34 3.605 3.677 -1.633 1.00 0.00 C ATOM 519 O LEU A 34 4.119 2.573 -1.759 1.00 0.00 O ATOM 520 CB LEU A 34 4.485 5.919 -1.022 1.00 0.00 C ATOM 521 CG LEU A 34 5.853 6.415 -0.575 1.00 0.00 C ATOM 522 CD1 LEU A 34 6.507 7.232 -1.677 1.00 0.00 C ATOM 523 CD2 LEU A 34 5.710 7.236 0.688 1.00 0.00 C ATOM 0 H LEU A 34 5.796 3.408 -0.481 1.00 0.00 H new ATOM 0 HA LEU A 34 3.251 4.690 0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.474 5.873 -2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.738 6.655 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 34 6.493 5.558 -0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.484 7.579 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.627 6.613 -2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.879 8.091 -1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.691 7.589 1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.061 8.090 0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.274 6.620 1.475 1.00 0.00 H new ATOM 535 N PRO A 35 2.663 4.149 -2.497 1.00 0.00 N ATOM 536 CA PRO A 35 2.155 3.414 -3.649 1.00 0.00 C ATOM 537 C PRO A 35 3.031 2.225 -4.042 1.00 0.00 C ATOM 538 O PRO A 35 3.656 2.195 -5.102 1.00 0.00 O ATOM 539 CB PRO A 35 2.150 4.515 -4.707 1.00 0.00 C ATOM 540 CG PRO A 35 1.874 5.786 -3.935 1.00 0.00 C ATOM 541 CD PRO A 35 2.007 5.457 -2.463 1.00 0.00 C ATOM 0 HA PRO A 35 1.187 2.943 -3.480 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.106 4.568 -5.228 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.384 4.336 -5.462 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.578 6.568 -4.219 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.875 6.161 -4.156 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.604 6.198 -1.932 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.038 5.414 -1.966 1.00 0.00 H new ATOM 549 N GLY A 36 3.043 1.253 -3.143 1.00 0.00 N ATOM 550 CA GLY A 36 3.821 0.046 -3.303 1.00 0.00 C ATOM 551 C GLY A 36 3.852 -0.701 -1.989 1.00 0.00 C ATOM 552 O GLY A 36 4.863 -0.707 -1.296 1.00 0.00 O ATOM 0 H GLY A 36 2.506 1.285 -2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.386 -0.581 -4.082 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.835 0.291 -3.620 1.00 0.00 H new ATOM 556 N TYR A 37 2.731 -1.326 -1.648 1.00 0.00 N ATOM 557 CA TYR A 37 2.623 -2.038 -0.383 1.00 0.00 C ATOM 558 C TYR A 37 1.380 -2.907 -0.310 1.00 0.00 C ATOM 559 O TYR A 37 0.514 -2.826 -1.180 1.00 0.00 O ATOM 560 CB TYR A 37 2.648 -1.051 0.774 1.00 0.00 C ATOM 561 CG TYR A 37 1.657 0.069 0.609 1.00 0.00 C ATOM 562 CD1 TYR A 37 1.978 1.214 -0.109 1.00 0.00 C ATOM 563 CD2 TYR A 37 0.399 -0.024 1.174 1.00 0.00 C ATOM 564 CE1 TYR A 37 1.062 2.238 -0.255 1.00 0.00 C ATOM 565 CE2 TYR A 37 -0.524 0.994 1.036 1.00 0.00 C ATOM 566 CZ TYR A 37 -0.187 2.125 0.320 1.00 0.00 C ATOM 567 OH TYR A 37 -1.100 3.144 0.180 1.00 0.00 O ATOM 0 H TYR A 37 1.891 -1.354 -2.226 1.00 0.00 H new ATOM 0 HA TYR A 37 3.482 -2.705 -0.312 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.438 -1.582 1.702 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.650 -0.632 0.866 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.956 1.305 -0.559 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.133 -0.909 1.733 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.323 3.123 -0.817 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.502 0.906 1.485 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.930 2.906 0.644 1.00 0.00 H new ATOM 577 N VAL A 38 1.321 -3.722 0.758 1.00 0.00 N ATOM 578 CA VAL A 38 0.241 -4.684 1.010 1.00 0.00 C ATOM 579 C VAL A 38 0.829 -6.070 1.266 1.00 0.00 C ATOM 580 O VAL A 38 1.660 -6.548 0.499 1.00 0.00 O ATOM 581 CB VAL A 38 -0.775 -4.787 -0.146 1.00 0.00 C ATOM 582 CG1 VAL A 38 -1.357 -6.188 -0.223 1.00 0.00 C ATOM 583 CG2 VAL A 38 -1.875 -3.748 0.012 1.00 0.00 C ATOM 0 H VAL A 38 2.039 -3.728 1.483 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.295 -4.314 1.884 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.253 -4.586 -1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.071 -6.241 -1.045 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.555 -6.906 -0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.863 -6.424 0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.581 -3.837 -0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.397 -3.911 0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.436 -2.750 0.008 1.00 0.00 H new ATOM 593 N ARG A 39 0.379 -6.704 2.352 1.00 0.00 N ATOM 594 CA ARG A 39 0.830 -8.049 2.725 1.00 0.00 C ATOM 595 C ARG A 39 2.230 -8.059 3.307 1.00 0.00 C ATOM 596 O ARG A 39 2.442 -8.491 4.440 1.00 0.00 O ATOM 597 CB ARG A 39 0.771 -8.997 1.527 1.00 0.00 C ATOM 598 CG ARG A 39 -0.618 -9.552 1.253 1.00 0.00 C ATOM 599 CD ARG A 39 -1.101 -10.432 2.396 1.00 0.00 C ATOM 600 NE ARG A 39 -0.262 -11.616 2.568 1.00 0.00 N ATOM 601 CZ ARG A 39 -0.236 -12.349 3.679 1.00 0.00 C ATOM 602 NH1 ARG A 39 -0.991 -12.015 4.716 1.00 0.00 N ATOM 603 NH2 ARG A 39 0.547 -13.417 3.752 1.00 0.00 N ATOM 0 H ARG A 39 -0.304 -6.303 2.995 1.00 0.00 H new ATOM 0 HA ARG A 39 0.146 -8.393 3.500 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.123 -8.470 0.640 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.457 -9.827 1.698 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.317 -8.729 1.105 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.605 -10.129 0.328 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.107 -9.855 3.320 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.129 -10.741 2.206 1.00 0.00 H new ATOM 0 HE ARG A 39 0.338 -11.897 1.792 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.594 -11.194 4.664 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.969 -12.579 5.566 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.130 -13.677 2.957 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.566 -13.978 4.604 1.00 0.00 H new ATOM 617 N SER A 40 3.179 -7.587 2.529 1.00 0.00 N ATOM 618 CA SER A 40 4.568 -7.579 2.945 1.00 0.00 C ATOM 619 C SER A 40 4.950 -6.273 3.628 1.00 0.00 C ATOM 620 O SER A 40 5.256 -5.280 2.972 1.00 0.00 O ATOM 621 CB SER A 40 5.450 -7.821 1.728 1.00 0.00 C ATOM 622 OG SER A 40 6.503 -8.722 2.028 1.00 0.00 O ATOM 0 H SER A 40 3.015 -7.201 1.599 1.00 0.00 H new ATOM 0 HA SER A 40 4.714 -8.374 3.676 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.847 -8.221 0.913 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.865 -6.874 1.383 1.00 0.00 H new ATOM 0 HG SER A 40 6.636 -9.333 1.273 1.00 0.00 H new ATOM 628 N HIS A 41 4.915 -6.285 4.956 1.00 0.00 N ATOM 629 CA HIS A 41 5.280 -5.111 5.748 1.00 0.00 C ATOM 630 C HIS A 41 5.710 -5.513 7.154 1.00 0.00 C ATOM 631 O HIS A 41 4.983 -6.211 7.861 1.00 0.00 O ATOM 632 CB HIS A 41 4.120 -4.119 5.819 1.00 0.00 C ATOM 633 CG HIS A 41 2.769 -4.764 5.815 1.00 0.00 C ATOM 634 ND1 HIS A 41 2.127 -5.179 6.964 1.00 0.00 N ATOM 635 CD2 HIS A 41 1.933 -5.064 4.791 1.00 0.00 C ATOM 636 CE1 HIS A 41 0.957 -5.705 6.647 1.00 0.00 C ATOM 637 NE2 HIS A 41 0.815 -5.647 5.336 1.00 0.00 N ATOM 0 H HIS A 41 4.637 -7.095 5.510 1.00 0.00 H new ATOM 0 HA HIS A 41 6.122 -4.627 5.253 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.223 -3.519 6.723 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.188 -3.435 4.973 1.00 0.00 H new ATOM 0 HD1 HIS A 41 2.498 -5.093 7.910 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.112 -4.879 3.742 1.00 0.00 H new ATOM 0 HE1 HIS A 41 0.239 -6.113 7.343 1.00 0.00 H new ATOM 646 N SER A 42 6.897 -5.063 7.554 1.00 0.00 N ATOM 647 CA SER A 42 7.426 -5.378 8.874 1.00 0.00 C ATOM 648 C SER A 42 8.656 -4.534 9.186 1.00 0.00 C ATOM 649 O SER A 42 9.139 -4.517 10.319 1.00 0.00 O ATOM 650 CB SER A 42 7.789 -6.860 8.952 1.00 0.00 C ATOM 651 OG SER A 42 8.003 -7.266 10.292 1.00 0.00 O ATOM 0 H SER A 42 7.508 -4.480 6.982 1.00 0.00 H new ATOM 0 HA SER A 42 6.655 -5.152 9.610 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.990 -7.456 8.512 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.688 -7.048 8.364 1.00 0.00 H new ATOM 0 HG SER A 42 8.471 -6.555 10.778 1.00 0.00 H new ATOM 657 N THR A 43 9.158 -3.836 8.174 1.00 0.00 N ATOM 658 CA THR A 43 10.341 -2.995 8.338 1.00 0.00 C ATOM 659 C THR A 43 10.416 -1.942 7.234 1.00 0.00 C ATOM 660 O THR A 43 9.391 -1.552 6.678 1.00 0.00 O ATOM 661 CB THR A 43 11.630 -3.841 8.317 1.00 0.00 C ATOM 662 OG1 THR A 43 11.341 -5.193 8.694 1.00 0.00 O ATOM 663 CG2 THR A 43 12.669 -3.265 9.267 1.00 0.00 C ATOM 0 H THR A 43 8.766 -3.835 7.232 1.00 0.00 H new ATOM 0 HA THR A 43 10.255 -2.499 9.305 1.00 0.00 H new ATOM 0 HB THR A 43 12.029 -3.823 7.303 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.166 -5.721 8.676 1.00 0.00 H new ATOM 0 HG21 THR A 43 13.570 -3.878 9.236 1.00 0.00 H new ATOM 0 HG22 THR A 43 12.912 -2.246 8.966 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.270 -3.258 10.281 1.00 0.00 H new ATOM 671 N GLN A 44 11.635 -1.475 6.940 1.00 0.00 N ATOM 672 CA GLN A 44 11.866 -0.476 5.891 1.00 0.00 C ATOM 673 C GLN A 44 13.283 0.089 5.978 1.00 0.00 C ATOM 674 O GLN A 44 13.494 1.177 6.512 1.00 0.00 O ATOM 675 CB GLN A 44 10.848 0.669 5.976 1.00 0.00 C ATOM 676 CG GLN A 44 10.725 1.287 7.360 1.00 0.00 C ATOM 677 CD GLN A 44 9.737 2.438 7.403 1.00 0.00 C ATOM 678 OE1 GLN A 44 9.887 3.369 8.194 1.00 0.00 O ATOM 679 NE2 GLN A 44 8.718 2.380 6.552 1.00 0.00 N ATOM 0 H GLN A 44 12.484 -1.777 7.419 1.00 0.00 H new ATOM 0 HA GLN A 44 11.743 -0.980 4.932 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.131 1.446 5.266 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.871 0.296 5.668 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.414 0.520 8.069 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.704 1.642 7.683 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.632 1.590 5.913 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.022 3.126 6.538 1.00 0.00 H new ATOM 688 N THR A 45 14.254 -0.656 5.449 1.00 0.00 N ATOM 689 CA THR A 45 15.650 -0.222 5.477 1.00 0.00 C ATOM 690 C THR A 45 16.465 -0.840 4.340 1.00 0.00 C ATOM 691 O THR A 45 16.302 -2.014 4.007 1.00 0.00 O ATOM 692 CB THR A 45 16.327 -0.583 6.814 1.00 0.00 C ATOM 693 OG1 THR A 45 16.032 -1.940 7.162 1.00 0.00 O ATOM 694 CG2 THR A 45 15.871 0.344 7.931 1.00 0.00 C ATOM 0 H THR A 45 14.100 -1.558 4.998 1.00 0.00 H new ATOM 0 HA THR A 45 15.630 0.861 5.356 1.00 0.00 H new ATOM 0 HB THR A 45 17.403 -0.464 6.689 1.00 0.00 H new ATOM 0 HG1 THR A 45 16.467 -2.162 8.012 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.366 0.064 8.861 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.129 1.373 7.678 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.791 0.260 8.055 1.00 0.00 H new ATOM 702 N LEU A 46 17.343 -0.029 3.754 1.00 0.00 N ATOM 703 CA LEU A 46 18.213 -0.469 2.665 1.00 0.00 C ATOM 704 C LEU A 46 19.671 -0.342 3.100 1.00 0.00 C ATOM 705 O LEU A 46 20.164 0.763 3.318 1.00 0.00 O ATOM 706 CB LEU A 46 17.972 0.367 1.401 1.00 0.00 C ATOM 707 CG LEU A 46 16.985 -0.234 0.396 1.00 0.00 C ATOM 708 CD1 LEU A 46 15.626 -0.443 1.045 1.00 0.00 C ATOM 709 CD2 LEU A 46 16.864 0.656 -0.835 1.00 0.00 C ATOM 0 H LEU A 46 17.471 0.948 4.019 1.00 0.00 H new ATOM 0 HA LEU A 46 17.986 -1.510 2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.607 1.350 1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 46 18.927 0.520 0.899 1.00 0.00 H new ATOM 0 HG LEU A 46 17.365 -1.205 0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 46 14.937 -0.871 0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.728 -1.123 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.238 0.514 1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.158 0.212 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 46 16.508 1.642 -0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 46 17.839 0.751 -1.312 1.00 0.00 H new ATOM 721 N THR A 47 20.356 -1.475 3.229 1.00 0.00 N ATOM 722 CA THR A 47 21.753 -1.473 3.651 1.00 0.00 C ATOM 723 C THR A 47 22.637 -2.174 2.633 1.00 0.00 C ATOM 724 O THR A 47 22.230 -3.167 2.029 1.00 0.00 O ATOM 725 CB THR A 47 21.932 -2.178 5.007 1.00 0.00 C ATOM 726 OG1 THR A 47 20.863 -1.823 5.892 1.00 0.00 O ATOM 727 CG2 THR A 47 23.264 -1.800 5.639 1.00 0.00 C ATOM 0 H THR A 47 19.969 -2.401 3.048 1.00 0.00 H new ATOM 0 HA THR A 47 22.047 -0.427 3.739 1.00 0.00 H new ATOM 0 HB THR A 47 21.918 -3.254 4.836 1.00 0.00 H new ATOM 0 HG1 THR A 47 21.211 -1.725 6.803 1.00 0.00 H new ATOM 0 HG21 THR A 47 23.370 -2.310 6.597 1.00 0.00 H new ATOM 0 HG22 THR A 47 24.078 -2.097 4.978 1.00 0.00 H new ATOM 0 HG23 THR A 47 23.299 -0.722 5.796 1.00 0.00 H new ATOM 735 N CYS A 48 23.848 -1.660 2.443 1.00 0.00 N ATOM 736 CA CYS A 48 24.771 -2.273 1.504 1.00 0.00 C ATOM 737 C CYS A 48 25.341 -3.532 2.136 1.00 0.00 C ATOM 738 O CYS A 48 25.951 -3.497 3.203 1.00 0.00 O ATOM 739 CB CYS A 48 25.885 -1.302 1.111 1.00 0.00 C ATOM 740 SG CYS A 48 27.109 -1.994 -0.049 1.00 0.00 S ATOM 0 H CYS A 48 24.206 -0.833 2.920 1.00 0.00 H new ATOM 0 HA CYS A 48 24.239 -2.533 0.589 1.00 0.00 H new ATOM 0 HB2 CYS A 48 25.437 -0.416 0.662 1.00 0.00 H new ATOM 0 HB3 CYS A 48 26.401 -0.975 2.014 1.00 0.00 H new ATOM 745 N ASN A 49 25.108 -4.643 1.460 1.00 0.00 N ATOM 746 CA ASN A 49 25.640 -5.921 1.895 1.00 0.00 C ATOM 747 C ASN A 49 26.871 -6.254 1.056 1.00 0.00 C ATOM 748 O ASN A 49 27.241 -5.484 0.170 1.00 0.00 O ATOM 749 CB ASN A 49 24.575 -7.010 1.750 1.00 0.00 C ATOM 750 CG ASN A 49 23.907 -6.966 0.395 1.00 0.00 C ATOM 751 OD1 ASN A 49 24.219 -7.758 -0.489 1.00 0.00 O ATOM 752 ND2 ASN A 49 22.985 -6.030 0.226 1.00 0.00 N ATOM 0 H ASN A 49 24.552 -4.685 0.606 1.00 0.00 H new ATOM 0 HA ASN A 49 25.925 -5.866 2.946 1.00 0.00 H new ATOM 0 HB2 ASN A 49 25.033 -7.988 1.898 1.00 0.00 H new ATOM 0 HB3 ASN A 49 23.823 -6.889 2.530 1.00 0.00 H new ATOM 0 HD21 ASN A 49 22.501 -5.946 -0.668 1.00 0.00 H new ATOM 0 HD22 ASN A 49 22.759 -5.393 0.990 1.00 0.00 H new ATOM 759 N SER A 50 27.506 -7.384 1.329 1.00 0.00 N ATOM 760 CA SER A 50 28.685 -7.780 0.565 1.00 0.00 C ATOM 761 C SER A 50 28.242 -8.502 -0.706 1.00 0.00 C ATOM 762 O SER A 50 28.474 -9.697 -0.886 1.00 0.00 O ATOM 763 CB SER A 50 29.598 -8.670 1.407 1.00 0.00 C ATOM 764 OG SER A 50 30.756 -9.047 0.683 1.00 0.00 O ATOM 0 H SER A 50 27.232 -8.037 2.063 1.00 0.00 H new ATOM 0 HA SER A 50 29.252 -6.891 0.290 1.00 0.00 H new ATOM 0 HB2 SER A 50 29.889 -8.141 2.314 1.00 0.00 H new ATOM 0 HB3 SER A 50 29.054 -9.562 1.718 1.00 0.00 H new ATOM 0 HG SER A 50 31.323 -9.615 1.246 1.00 0.00 H new ATOM 770 N ASP A 51 27.591 -7.735 -1.572 1.00 0.00 N ATOM 771 CA ASP A 51 27.065 -8.225 -2.843 1.00 0.00 C ATOM 772 C ASP A 51 26.996 -7.090 -3.855 1.00 0.00 C ATOM 773 O ASP A 51 26.539 -7.270 -4.984 1.00 0.00 O ATOM 774 CB ASP A 51 25.666 -8.799 -2.645 1.00 0.00 C ATOM 775 CG ASP A 51 25.269 -9.746 -3.762 1.00 0.00 C ATOM 776 OD1 ASP A 51 24.763 -9.266 -4.796 1.00 0.00 O ATOM 777 OD2 ASP A 51 25.468 -10.968 -3.600 1.00 0.00 O ATOM 0 H ASP A 51 27.411 -6.744 -1.411 1.00 0.00 H new ATOM 0 HA ASP A 51 27.731 -9.004 -3.214 1.00 0.00 H new ATOM 0 HB2 ASP A 51 25.624 -9.327 -1.692 1.00 0.00 H new ATOM 0 HB3 ASP A 51 24.945 -7.983 -2.590 1.00 0.00 H new ATOM 782 N GLY A 52 27.460 -5.919 -3.433 1.00 0.00 N ATOM 783 CA GLY A 52 27.425 -4.755 -4.297 1.00 0.00 C ATOM 784 C GLY A 52 26.013 -4.393 -4.718 1.00 0.00 C ATOM 785 O GLY A 52 25.791 -3.670 -5.688 1.00 0.00 O ATOM 0 H GLY A 52 27.859 -5.756 -2.509 1.00 0.00 H new ATOM 0 HA2 GLY A 52 27.876 -3.908 -3.780 1.00 0.00 H new ATOM 0 HA3 GLY A 52 28.029 -4.945 -5.184 1.00 0.00 H new ATOM 789 N GLU A 53 25.069 -4.923 -3.952 1.00 0.00 N ATOM 790 CA GLU A 53 23.656 -4.649 -4.171 1.00 0.00 C ATOM 791 C GLU A 53 22.970 -4.371 -2.839 1.00 0.00 C ATOM 792 O GLU A 53 23.542 -4.624 -1.780 1.00 0.00 O ATOM 793 CB GLU A 53 22.975 -5.824 -4.882 1.00 0.00 C ATOM 794 CG GLU A 53 22.448 -6.895 -3.940 1.00 0.00 C ATOM 795 CD GLU A 53 21.626 -7.948 -4.658 1.00 0.00 C ATOM 796 OE1 GLU A 53 20.428 -7.697 -4.908 1.00 0.00 O ATOM 797 OE2 GLU A 53 22.178 -9.024 -4.970 1.00 0.00 O ATOM 0 H GLU A 53 25.258 -5.549 -3.169 1.00 0.00 H new ATOM 0 HA GLU A 53 23.569 -3.770 -4.809 1.00 0.00 H new ATOM 0 HB2 GLU A 53 22.148 -5.443 -5.481 1.00 0.00 H new ATOM 0 HB3 GLU A 53 23.686 -6.279 -5.572 1.00 0.00 H new ATOM 0 HG2 GLU A 53 23.287 -7.375 -3.436 1.00 0.00 H new ATOM 0 HG3 GLU A 53 21.838 -6.427 -3.168 1.00 0.00 H new ATOM 804 N TRP A 54 21.757 -3.836 -2.892 1.00 0.00 N ATOM 805 CA TRP A 54 21.007 -3.537 -1.689 1.00 0.00 C ATOM 806 C TRP A 54 20.094 -4.701 -1.326 1.00 0.00 C ATOM 807 O TRP A 54 19.149 -5.033 -2.042 1.00 0.00 O ATOM 808 CB TRP A 54 20.212 -2.253 -1.899 1.00 0.00 C ATOM 809 CG TRP A 54 21.085 -1.083 -2.243 1.00 0.00 C ATOM 810 CD1 TRP A 54 21.295 -0.550 -3.482 1.00 0.00 C ATOM 811 CD2 TRP A 54 21.881 -0.315 -1.336 1.00 0.00 C ATOM 812 NE1 TRP A 54 22.170 0.507 -3.398 1.00 0.00 N ATOM 813 CE2 TRP A 54 22.545 0.671 -2.091 1.00 0.00 C ATOM 814 CE3 TRP A 54 22.094 -0.363 0.041 1.00 0.00 C ATOM 815 CZ2 TRP A 54 23.409 1.599 -1.512 1.00 0.00 C ATOM 816 CZ3 TRP A 54 22.951 0.557 0.616 1.00 0.00 C ATOM 817 CH2 TRP A 54 23.598 1.526 -0.159 1.00 0.00 C ATOM 0 H TRP A 54 21.275 -3.601 -3.760 1.00 0.00 H new ATOM 0 HA TRP A 54 21.695 -3.390 -0.856 1.00 0.00 H new ATOM 0 HB2 TRP A 54 19.486 -2.406 -2.697 1.00 0.00 H new ATOM 0 HB3 TRP A 54 19.648 -2.027 -0.994 1.00 0.00 H new ATOM 0 HD1 TRP A 54 20.840 -0.906 -4.395 1.00 0.00 H new ATOM 0 HE1 TRP A 54 22.488 1.077 -4.182 1.00 0.00 H new ATOM 0 HE3 TRP A 54 21.598 -1.106 0.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 23.910 2.347 -2.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 23.124 0.527 1.682 1.00 0.00 H new ATOM 0 HH2 TRP A 54 24.260 2.231 0.321 1.00 0.00 H new ATOM 828 N VAL A 55 20.413 -5.307 -0.188 1.00 0.00 N ATOM 829 CA VAL A 55 19.689 -6.453 0.344 1.00 0.00 C ATOM 830 C VAL A 55 18.658 -5.986 1.360 1.00 0.00 C ATOM 831 O VAL A 55 18.904 -5.030 2.095 1.00 0.00 O ATOM 832 CB VAL A 55 20.661 -7.440 1.025 1.00 0.00 C ATOM 833 CG1 VAL A 55 20.011 -8.132 2.209 1.00 0.00 C ATOM 834 CG2 VAL A 55 21.184 -8.461 0.028 1.00 0.00 C ATOM 0 H VAL A 55 21.193 -5.011 0.399 1.00 0.00 H new ATOM 0 HA VAL A 55 19.190 -6.958 -0.483 1.00 0.00 H new ATOM 0 HB VAL A 55 21.506 -6.862 1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 55 20.724 -8.820 2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 55 19.706 -7.387 2.943 1.00 0.00 H new ATOM 0 HG13 VAL A 55 19.136 -8.687 1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 55 21.867 -9.145 0.532 1.00 0.00 H new ATOM 0 HG22 VAL A 55 20.349 -9.024 -0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 55 21.712 -7.948 -0.775 1.00 0.00 H new ATOM 844 N TYR A 56 17.515 -6.674 1.413 1.00 0.00 N ATOM 845 CA TYR A 56 16.474 -6.340 2.384 1.00 0.00 C ATOM 846 C TYR A 56 15.164 -7.064 2.086 1.00 0.00 C ATOM 847 O TYR A 56 15.010 -7.650 1.014 1.00 0.00 O ATOM 848 CB TYR A 56 16.221 -4.827 2.430 1.00 0.00 C ATOM 849 CG TYR A 56 15.753 -4.246 1.108 1.00 0.00 C ATOM 850 CD1 TYR A 56 16.643 -4.026 0.062 1.00 0.00 C ATOM 851 CD2 TYR A 56 14.419 -3.921 0.907 1.00 0.00 C ATOM 852 CE1 TYR A 56 16.215 -3.502 -1.143 1.00 0.00 C ATOM 853 CE2 TYR A 56 13.983 -3.396 -0.294 1.00 0.00 C ATOM 854 CZ TYR A 56 14.884 -3.189 -1.316 1.00 0.00 C ATOM 855 OH TYR A 56 14.453 -2.668 -2.514 1.00 0.00 O ATOM 0 H TYR A 56 17.289 -7.458 0.801 1.00 0.00 H new ATOM 0 HA TYR A 56 16.839 -6.672 3.356 1.00 0.00 H new ATOM 0 HB2 TYR A 56 15.473 -4.616 3.195 1.00 0.00 H new ATOM 0 HB3 TYR A 56 17.139 -4.323 2.734 1.00 0.00 H new ATOM 0 HD1 TYR A 56 17.687 -4.269 0.194 1.00 0.00 H new ATOM 0 HD2 TYR A 56 13.708 -4.082 1.704 1.00 0.00 H new ATOM 0 HE1 TYR A 56 16.920 -3.339 -1.945 1.00 0.00 H new ATOM 0 HE2 TYR A 56 12.941 -3.149 -0.431 1.00 0.00 H new ATOM 0 HH TYR A 56 13.474 -2.618 -2.516 1.00 0.00 H new ATOM 865 N ASN A 57 14.221 -7.030 3.020 1.00 0.00 N ATOM 866 CA ASN A 57 12.941 -7.701 2.823 1.00 0.00 C ATOM 867 C ASN A 57 11.955 -6.778 2.120 1.00 0.00 C ATOM 868 O ASN A 57 12.250 -5.607 1.888 1.00 0.00 O ATOM 869 CB ASN A 57 12.362 -8.161 4.163 1.00 0.00 C ATOM 870 CG ASN A 57 12.030 -7.002 5.083 1.00 0.00 C ATOM 871 OD1 ASN A 57 10.950 -6.418 4.998 1.00 0.00 O ATOM 872 ND2 ASN A 57 12.957 -6.668 5.973 1.00 0.00 N ATOM 0 H ASN A 57 14.316 -6.549 3.915 1.00 0.00 H new ATOM 0 HA ASN A 57 13.111 -8.576 2.196 1.00 0.00 H new ATOM 0 HB2 ASN A 57 11.461 -8.747 3.983 1.00 0.00 H new ATOM 0 HB3 ASN A 57 13.077 -8.819 4.657 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.788 -5.899 6.622 1.00 0.00 H new ATOM 0 HD22 ASN A 57 13.838 -7.180 6.008 1.00 0.00 H new ATOM 879 N THR A 58 10.782 -7.303 1.789 1.00 0.00 N ATOM 880 CA THR A 58 9.763 -6.507 1.122 1.00 0.00 C ATOM 881 C THR A 58 8.888 -5.809 2.151 1.00 0.00 C ATOM 882 O THR A 58 7.777 -6.250 2.445 1.00 0.00 O ATOM 883 CB THR A 58 8.881 -7.359 0.191 1.00 0.00 C ATOM 884 OG1 THR A 58 9.698 -8.245 -0.584 1.00 0.00 O ATOM 885 CG2 THR A 58 8.068 -6.470 -0.742 1.00 0.00 C ATOM 0 H THR A 58 10.515 -8.271 1.971 1.00 0.00 H new ATOM 0 HA THR A 58 10.280 -5.767 0.510 1.00 0.00 H new ATOM 0 HB THR A 58 8.196 -7.942 0.807 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.129 -8.784 -1.172 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.452 -7.092 -1.391 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.427 -5.814 -0.153 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.743 -5.868 -1.350 1.00 0.00 H new ATOM 893 N PHE A 59 9.408 -4.725 2.708 1.00 0.00 N ATOM 894 CA PHE A 59 8.692 -3.958 3.717 1.00 0.00 C ATOM 895 C PHE A 59 7.359 -3.451 3.182 1.00 0.00 C ATOM 896 O PHE A 59 6.480 -3.061 3.948 1.00 0.00 O ATOM 897 CB PHE A 59 9.545 -2.781 4.180 1.00 0.00 C ATOM 898 CG PHE A 59 10.161 -1.998 3.054 1.00 0.00 C ATOM 899 CD1 PHE A 59 9.396 -1.126 2.295 1.00 0.00 C ATOM 900 CD2 PHE A 59 11.507 -2.136 2.755 1.00 0.00 C ATOM 901 CE1 PHE A 59 9.962 -0.407 1.261 1.00 0.00 C ATOM 902 CE2 PHE A 59 12.078 -1.419 1.722 1.00 0.00 C ATOM 903 CZ PHE A 59 11.305 -0.553 0.974 1.00 0.00 C ATOM 0 H PHE A 59 10.330 -4.355 2.476 1.00 0.00 H new ATOM 0 HA PHE A 59 8.491 -4.617 4.562 1.00 0.00 H new ATOM 0 HB2 PHE A 59 8.929 -2.112 4.781 1.00 0.00 H new ATOM 0 HB3 PHE A 59 10.338 -3.152 4.829 1.00 0.00 H new ATOM 0 HD1 PHE A 59 8.345 -1.008 2.515 1.00 0.00 H new ATOM 0 HD2 PHE A 59 12.116 -2.812 3.336 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.355 0.269 0.677 1.00 0.00 H new ATOM 0 HE2 PHE A 59 13.128 -1.535 1.499 1.00 0.00 H new ATOM 0 HZ PHE A 59 11.750 0.009 0.166 1.00 0.00 H new ATOM 913 N CYS A 60 7.217 -3.461 1.862 1.00 0.00 N ATOM 914 CA CYS A 60 5.994 -2.998 1.221 1.00 0.00 C ATOM 915 C CYS A 60 5.901 -3.508 -0.212 1.00 0.00 C ATOM 916 O CYS A 60 6.874 -3.448 -0.965 1.00 0.00 O ATOM 917 CB CYS A 60 5.943 -1.471 1.224 1.00 0.00 C ATOM 918 SG CYS A 60 5.309 -0.734 2.762 1.00 0.00 S ATOM 0 H CYS A 60 7.935 -3.785 1.214 1.00 0.00 H new ATOM 0 HA CYS A 60 5.149 -3.391 1.786 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.946 -1.087 1.040 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.318 -1.140 0.394 1.00 0.00 H new ATOM 923 N ILE A 61 4.727 -4.010 -0.585 1.00 0.00 N ATOM 924 CA ILE A 61 4.514 -4.523 -1.930 1.00 0.00 C ATOM 925 C ILE A 61 3.079 -4.306 -2.393 1.00 0.00 C ATOM 926 O ILE A 61 2.137 -4.911 -1.880 1.00 0.00 O ATOM 927 CB ILE A 61 4.864 -6.014 -2.012 1.00 0.00 C ATOM 928 CG1 ILE A 61 4.676 -6.542 -3.434 1.00 0.00 C ATOM 929 CG2 ILE A 61 4.009 -6.793 -1.028 1.00 0.00 C ATOM 930 CD1 ILE A 61 5.113 -7.981 -3.613 1.00 0.00 C ATOM 0 H ILE A 61 3.912 -4.071 0.025 1.00 0.00 H new ATOM 0 HA ILE A 61 5.177 -3.966 -2.592 1.00 0.00 H new ATOM 0 HB ILE A 61 5.914 -6.145 -1.749 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.625 -6.454 -3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.239 -5.912 -4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.259 -7.852 -1.088 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.198 -6.432 -0.017 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.956 -6.655 -1.272 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.949 -8.285 -4.647 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.172 -8.072 -3.371 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.533 -8.623 -2.950 1.00 0.00 H new ATOM 942 N TYR A 62 2.937 -3.445 -3.384 1.00 0.00 N ATOM 943 CA TYR A 62 1.640 -3.087 -3.935 1.00 0.00 C ATOM 944 C TYR A 62 0.758 -4.267 -4.330 1.00 0.00 C ATOM 945 O TYR A 62 1.155 -5.152 -5.090 1.00 0.00 O ATOM 946 CB TYR A 62 1.809 -2.180 -5.155 1.00 0.00 C ATOM 947 CG TYR A 62 1.027 -0.884 -5.033 1.00 0.00 C ATOM 948 CD1 TYR A 62 0.769 -0.336 -3.782 1.00 0.00 C ATOM 949 CD2 TYR A 62 0.555 -0.206 -6.149 1.00 0.00 C ATOM 950 CE1 TYR A 62 0.074 0.840 -3.640 1.00 0.00 C ATOM 951 CE2 TYR A 62 -0.146 0.981 -6.016 1.00 0.00 C ATOM 952 CZ TYR A 62 -0.381 1.499 -4.757 1.00 0.00 C ATOM 953 OH TYR A 62 -1.072 2.678 -4.614 1.00 0.00 O ATOM 0 H TYR A 62 3.721 -2.971 -3.832 1.00 0.00 H new ATOM 0 HA TYR A 62 1.130 -2.574 -3.120 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.866 -1.951 -5.289 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.483 -2.714 -6.048 1.00 0.00 H new ATOM 0 HD1 TYR A 62 1.124 -0.848 -2.900 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.737 -0.610 -7.134 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.114 1.245 -2.656 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -0.507 1.499 -6.892 1.00 0.00 H new ATOM 0 HH TYR A 62 -1.324 3.019 -5.498 1.00 0.00 H new ATOM 963 N LYS A 63 -0.453 -4.243 -3.784 1.00 0.00 N ATOM 964 CA LYS A 63 -1.499 -5.218 -4.071 1.00 0.00 C ATOM 965 C LYS A 63 -2.816 -4.667 -3.545 1.00 0.00 C ATOM 966 O LYS A 63 -3.264 -5.009 -2.450 1.00 0.00 O ATOM 967 CB LYS A 63 -1.182 -6.573 -3.435 1.00 0.00 C ATOM 968 CG LYS A 63 -2.386 -7.501 -3.322 1.00 0.00 C ATOM 969 CD LYS A 63 -1.986 -8.968 -3.340 1.00 0.00 C ATOM 970 CE LYS A 63 -0.853 -9.266 -2.377 1.00 0.00 C ATOM 971 NZ LYS A 63 -0.348 -10.659 -2.533 1.00 0.00 N ATOM 0 H LYS A 63 -0.741 -3.529 -3.115 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.565 -5.381 -5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.409 -7.067 -4.024 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.768 -6.408 -2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.924 -7.284 -2.399 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.073 -7.304 -4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.850 -9.581 -3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.685 -9.248 -4.350 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.038 -8.563 -2.546 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.197 -9.116 -1.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.207 -10.923 -1.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.152 -11.310 -2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.254 -10.717 -3.379 1.00 0.00 H new ATOM 985 N ARG A 64 -3.414 -3.779 -4.327 1.00 0.00 N ATOM 986 CA ARG A 64 -4.661 -3.138 -3.949 1.00 0.00 C ATOM 987 C ARG A 64 -5.862 -3.962 -4.401 1.00 0.00 C ATOM 988 O ARG A 64 -5.744 -5.160 -4.656 1.00 0.00 O ATOM 989 CB ARG A 64 -4.719 -1.742 -4.568 1.00 0.00 C ATOM 990 CG ARG A 64 -4.474 -1.744 -6.067 1.00 0.00 C ATOM 991 CD ARG A 64 -3.717 -0.503 -6.512 1.00 0.00 C ATOM 992 NE ARG A 64 -4.495 0.716 -6.319 1.00 0.00 N ATOM 993 CZ ARG A 64 -4.403 1.781 -7.109 1.00 0.00 C ATOM 994 NH1 ARG A 64 -3.569 1.775 -8.141 1.00 0.00 N ATOM 995 NH2 ARG A 64 -5.143 2.854 -6.869 1.00 0.00 N ATOM 0 H ARG A 64 -3.050 -3.486 -5.234 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.699 -3.061 -2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.696 -1.302 -4.366 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.977 -1.106 -4.085 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -3.909 -2.634 -6.343 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.428 -1.797 -6.592 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.784 -0.429 -5.953 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.451 -0.600 -7.565 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.146 0.753 -5.534 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.997 0.952 -8.329 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.500 2.593 -8.746 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.785 2.864 -6.076 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -5.070 3.670 -7.477 1.00 0.00 H new ATOM 1009 N CYS A 65 -7.016 -3.310 -4.501 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.238 -3.972 -4.929 1.00 0.00 C ATOM 1011 C CYS A 65 -8.945 -3.118 -5.967 1.00 0.00 C ATOM 1012 O CYS A 65 -8.626 -1.940 -6.127 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.170 -4.206 -3.739 1.00 0.00 C ATOM 1014 SG CYS A 65 -8.325 -4.720 -2.212 1.00 0.00 S ATOM 0 H CYS A 65 -7.128 -2.318 -4.290 1.00 0.00 H new ATOM 0 HA CYS A 65 -7.976 -4.937 -5.363 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -9.725 -3.289 -3.542 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -9.901 -4.968 -4.010 1.00 0.00 H new ATOM 1019 N ARG A 66 -9.903 -3.703 -6.672 1.00 0.00 N ATOM 1020 CA ARG A 66 -10.634 -2.958 -7.681 1.00 0.00 C ATOM 1021 C ARG A 66 -11.695 -2.074 -7.035 1.00 0.00 C ATOM 1022 O ARG A 66 -12.345 -2.462 -6.067 1.00 0.00 O ATOM 1023 CB ARG A 66 -11.273 -3.899 -8.702 1.00 0.00 C ATOM 1024 CG ARG A 66 -12.152 -3.191 -9.724 1.00 0.00 C ATOM 1025 CD ARG A 66 -11.391 -2.103 -10.467 1.00 0.00 C ATOM 1026 NE ARG A 66 -12.198 -1.496 -11.524 1.00 0.00 N ATOM 1027 CZ ARG A 66 -11.787 -0.478 -12.275 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -10.581 0.044 -12.093 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -12.583 0.018 -13.213 1.00 0.00 N ATOM 0 H ARG A 66 -10.188 -4.677 -6.565 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.924 -2.319 -8.206 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.485 -4.440 -9.227 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.872 -4.641 -8.174 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.536 -3.919 -10.439 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.014 -2.753 -9.221 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.078 -1.333 -9.762 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.484 -2.526 -10.900 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.129 -1.875 -11.695 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.964 -0.335 -11.375 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.271 0.825 -12.672 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.510 -0.381 -13.358 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.268 0.799 -13.789 1.00 0.00 H new ATOM 1043 N HIS A 67 -11.855 -0.886 -7.591 1.00 0.00 N ATOM 1044 CA HIS A 67 -12.834 0.062 -7.075 1.00 0.00 C ATOM 1045 C HIS A 67 -14.240 -0.537 -7.124 1.00 0.00 C ATOM 1046 O HIS A 67 -14.709 -0.931 -8.191 1.00 0.00 O ATOM 1047 CB HIS A 67 -12.789 1.355 -7.890 1.00 0.00 C ATOM 1048 CG HIS A 67 -13.560 2.477 -7.274 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -14.739 2.965 -7.800 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -13.310 3.214 -6.169 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -15.180 3.955 -7.043 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -14.332 4.125 -6.047 1.00 0.00 N ATOM 0 H HIS A 67 -11.324 -0.553 -8.396 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.587 0.284 -6.037 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -11.750 1.662 -8.011 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.182 1.160 -8.888 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -12.465 3.107 -5.505 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -16.081 4.527 -7.211 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -14.420 4.820 -5.306 1.00 0.00 H new ATOM 1061 N PRO A 68 -14.939 -0.618 -5.969 1.00 0.00 N ATOM 1062 CA PRO A 68 -16.296 -1.168 -5.917 1.00 0.00 C ATOM 1063 C PRO A 68 -17.207 -0.453 -6.903 1.00 0.00 C ATOM 1064 O PRO A 68 -18.216 -1.007 -7.340 1.00 0.00 O ATOM 1065 CB PRO A 68 -16.742 -0.957 -4.466 1.00 0.00 C ATOM 1066 CG PRO A 68 -15.775 0.029 -3.895 1.00 0.00 C ATOM 1067 CD PRO A 68 -14.484 -0.164 -4.647 1.00 0.00 C ATOM 0 HA PRO A 68 -16.335 -2.220 -6.198 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -17.763 -0.578 -4.420 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.724 -1.894 -3.909 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -16.144 1.048 -4.011 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.632 -0.139 -2.828 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.912 0.762 -4.712 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -13.842 -0.902 -4.165 1.00 0.00 H new ATOM 1075 N GLY A 69 -16.851 0.775 -7.256 1.00 0.00 N ATOM 1076 CA GLY A 69 -17.649 1.528 -8.198 1.00 0.00 C ATOM 1077 C GLY A 69 -18.516 2.586 -7.545 1.00 0.00 C ATOM 1078 O GLY A 69 -18.338 2.943 -6.379 1.00 0.00 O ATOM 0 H GLY A 69 -16.025 1.261 -6.907 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.988 2.006 -8.921 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.286 0.840 -8.754 1.00 0.00 H new ATOM 1082 N GLU A 70 -19.462 3.073 -8.336 1.00 0.00 N ATOM 1083 CA GLU A 70 -20.371 4.109 -7.874 1.00 0.00 C ATOM 1084 C GLU A 70 -21.497 3.513 -7.027 1.00 0.00 C ATOM 1085 O GLU A 70 -22.044 2.457 -7.346 1.00 0.00 O ATOM 1086 CB GLU A 70 -20.952 4.891 -9.052 1.00 0.00 C ATOM 1087 CG GLU A 70 -21.887 6.014 -8.635 1.00 0.00 C ATOM 1088 CD GLU A 70 -22.543 6.698 -9.819 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -21.932 7.632 -10.377 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -23.667 6.298 -10.186 1.00 0.00 O ATOM 0 H GLU A 70 -19.619 2.768 -9.297 1.00 0.00 H new ATOM 0 HA GLU A 70 -19.799 4.797 -7.251 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.134 5.309 -9.638 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -21.492 4.203 -9.703 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -22.659 5.614 -7.978 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -21.329 6.751 -8.058 1.00 0.00 H new ATOM 1097 N LEU A 71 -21.829 4.213 -5.944 1.00 0.00 N ATOM 1098 CA LEU A 71 -22.908 3.801 -5.049 1.00 0.00 C ATOM 1099 C LEU A 71 -24.169 4.563 -5.433 1.00 0.00 C ATOM 1100 O LEU A 71 -24.335 5.719 -5.045 1.00 0.00 O ATOM 1101 CB LEU A 71 -22.538 4.107 -3.587 1.00 0.00 C ATOM 1102 CG LEU A 71 -23.108 3.154 -2.522 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -22.737 3.638 -1.129 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -24.620 3.021 -2.646 1.00 0.00 C ATOM 0 H LEU A 71 -21.362 5.075 -5.664 1.00 0.00 H new ATOM 0 HA LEU A 71 -23.073 2.728 -5.142 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -21.451 4.103 -3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -22.873 5.118 -3.355 1.00 0.00 H new ATOM 0 HG LEU A 71 -22.670 2.170 -2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -23.147 2.955 -0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -21.652 3.671 -1.032 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -23.146 4.636 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -24.990 2.341 -1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -25.083 3.999 -2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -24.871 2.628 -3.631 1.00 0.00 H new ATOM 1116 N ARG A 72 -25.057 3.932 -6.197 1.00 0.00 N ATOM 1117 CA ARG A 72 -26.296 4.598 -6.582 1.00 0.00 C ATOM 1118 C ARG A 72 -27.102 4.907 -5.330 1.00 0.00 C ATOM 1119 O ARG A 72 -27.466 4.014 -4.565 1.00 0.00 O ATOM 1120 CB ARG A 72 -27.110 3.765 -7.575 1.00 0.00 C ATOM 1121 CG ARG A 72 -28.476 4.357 -7.887 1.00 0.00 C ATOM 1122 CD ARG A 72 -29.234 3.515 -8.901 1.00 0.00 C ATOM 1123 NE ARG A 72 -30.577 4.035 -9.147 1.00 0.00 N ATOM 1124 CZ ARG A 72 -31.506 3.386 -9.842 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -31.239 2.196 -10.364 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -32.705 3.925 -10.013 1.00 0.00 N ATOM 0 H ARG A 72 -24.946 2.983 -6.554 1.00 0.00 H new ATOM 0 HA ARG A 72 -26.048 5.528 -7.093 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.546 3.666 -8.502 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.241 2.761 -7.173 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.058 4.433 -6.969 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.355 5.369 -8.272 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -28.678 3.488 -9.838 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -29.303 2.488 -8.541 1.00 0.00 H new ATOM 0 HE ARG A 72 -30.816 4.949 -8.763 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -30.319 1.776 -10.233 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -31.954 1.701 -10.897 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -32.915 4.839 -9.611 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -33.417 3.426 -10.546 1.00 0.00 H new ATOM 1140 N ASN A 73 -27.365 6.198 -5.142 1.00 0.00 N ATOM 1141 CA ASN A 73 -28.053 6.676 -3.958 1.00 0.00 C ATOM 1142 C ASN A 73 -27.172 6.346 -2.768 1.00 0.00 C ATOM 1143 O ASN A 73 -27.644 5.837 -1.755 1.00 0.00 O ATOM 1144 CB ASN A 73 -29.432 6.028 -3.817 1.00 0.00 C ATOM 1145 CG ASN A 73 -30.332 6.316 -5.004 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -30.238 7.373 -5.626 1.00 0.00 O ATOM 1147 ND2 ASN A 73 -31.209 5.371 -5.323 1.00 0.00 N ATOM 0 H ASN A 73 -27.108 6.932 -5.802 1.00 0.00 H new ATOM 0 HA ASN A 73 -28.223 7.751 -4.025 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -29.314 4.950 -3.707 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -29.909 6.391 -2.907 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -31.840 5.507 -6.113 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -31.251 4.510 -4.778 1.00 0.00 H new ATOM 1154 N GLY A 74 -25.887 6.670 -2.889 1.00 0.00 N ATOM 1155 CA GLY A 74 -24.960 6.373 -1.821 1.00 0.00 C ATOM 1156 C GLY A 74 -23.578 6.961 -2.047 1.00 0.00 C ATOM 1157 O GLY A 74 -23.321 7.581 -3.079 1.00 0.00 O ATOM 0 H GLY A 74 -25.478 7.129 -3.703 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -25.362 6.756 -0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -24.874 5.292 -1.713 1.00 0.00 H new ATOM 1161 N GLN A 75 -22.690 6.764 -1.074 1.00 0.00 N ATOM 1162 CA GLN A 75 -21.329 7.282 -1.163 1.00 0.00 C ATOM 1163 C GLN A 75 -20.299 6.229 -0.757 1.00 0.00 C ATOM 1164 O GLN A 75 -20.471 5.525 0.237 1.00 0.00 O ATOM 1165 CB GLN A 75 -21.176 8.518 -0.274 1.00 0.00 C ATOM 1166 CG GLN A 75 -22.038 9.692 -0.703 1.00 0.00 C ATOM 1167 CD GLN A 75 -21.679 10.210 -2.081 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -20.530 10.111 -2.514 1.00 0.00 O ATOM 1169 NE2 GLN A 75 -22.660 10.771 -2.777 1.00 0.00 N ATOM 0 H GLN A 75 -22.890 6.250 -0.216 1.00 0.00 H new ATOM 0 HA GLN A 75 -21.147 7.553 -2.203 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -21.428 8.250 0.752 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -20.131 8.827 -0.275 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -23.085 9.390 -0.695 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -21.933 10.499 0.022 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -23.597 10.832 -2.379 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -22.477 11.141 -3.710 1.00 0.00 H new ATOM 1178 N VAL A 76 -19.230 6.134 -1.540 1.00 0.00 N ATOM 1179 CA VAL A 76 -18.164 5.177 -1.254 1.00 0.00 C ATOM 1180 C VAL A 76 -16.936 5.902 -0.713 1.00 0.00 C ATOM 1181 O VAL A 76 -16.240 6.587 -1.462 1.00 0.00 O ATOM 1182 CB VAL A 76 -17.755 4.369 -2.499 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -16.805 3.244 -2.106 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -18.982 3.814 -3.206 1.00 0.00 C ATOM 0 H VAL A 76 -19.078 6.703 -2.373 1.00 0.00 H new ATOM 0 HA VAL A 76 -18.555 4.483 -0.510 1.00 0.00 H new ATOM 0 HB VAL A 76 -17.239 5.034 -3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.522 2.679 -2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -15.912 3.666 -1.645 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -17.300 2.581 -1.397 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -18.671 3.246 -4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -19.529 3.161 -2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -19.626 4.637 -3.516 1.00 0.00 H new ATOM 1194 N GLU A 77 -16.670 5.757 0.580 1.00 0.00 N ATOM 1195 CA GLU A 77 -15.511 6.407 1.180 1.00 0.00 C ATOM 1196 C GLU A 77 -14.221 5.779 0.663 1.00 0.00 C ATOM 1197 O GLU A 77 -13.832 4.693 1.094 1.00 0.00 O ATOM 1198 CB GLU A 77 -15.558 6.310 2.705 1.00 0.00 C ATOM 1199 CG GLU A 77 -14.377 6.982 3.385 1.00 0.00 C ATOM 1200 CD GLU A 77 -14.407 8.493 3.250 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -13.952 9.003 2.205 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -14.886 9.163 4.188 1.00 0.00 O ATOM 0 H GLU A 77 -17.233 5.203 1.226 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.534 7.460 0.898 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -16.482 6.765 3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.586 5.260 2.995 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.372 6.716 4.442 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.450 6.601 2.955 1.00 0.00 H new ATOM 1209 N ILE A 78 -13.566 6.467 -0.263 1.00 0.00 N ATOM 1210 CA ILE A 78 -12.323 5.976 -0.844 1.00 0.00 C ATOM 1211 C ILE A 78 -11.192 6.975 -0.639 1.00 0.00 C ATOM 1212 O ILE A 78 -11.404 8.187 -0.680 1.00 0.00 O ATOM 1213 CB ILE A 78 -12.482 5.688 -2.350 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -13.519 4.584 -2.572 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -11.146 5.301 -2.969 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -13.159 3.264 -1.926 1.00 0.00 C ATOM 0 H ILE A 78 -13.875 7.368 -0.628 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.077 5.046 -0.332 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.831 6.597 -2.840 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -14.480 4.918 -2.181 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.647 4.430 -3.643 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.282 5.102 -4.032 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.435 6.117 -2.840 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.763 4.406 -2.478 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.943 2.534 -2.129 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.214 2.905 -2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -13.060 3.401 -0.849 1.00 0.00 H new ATOM 1228 N LYS A 79 -9.990 6.456 -0.418 1.00 0.00 N ATOM 1229 CA LYS A 79 -8.825 7.300 -0.198 1.00 0.00 C ATOM 1230 C LYS A 79 -7.537 6.496 -0.301 1.00 0.00 C ATOM 1231 O LYS A 79 -6.572 6.921 -0.938 1.00 0.00 O ATOM 1232 CB LYS A 79 -8.903 7.966 1.182 1.00 0.00 C ATOM 1233 CG LYS A 79 -8.962 6.985 2.348 1.00 0.00 C ATOM 1234 CD LYS A 79 -10.320 6.307 2.461 1.00 0.00 C ATOM 1235 CE LYS A 79 -10.452 5.538 3.766 1.00 0.00 C ATOM 1236 NZ LYS A 79 -11.840 5.049 3.990 1.00 0.00 N ATOM 0 H LYS A 79 -9.798 5.455 -0.387 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.819 8.067 -0.972 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -8.035 8.613 1.310 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.785 8.605 1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.189 6.227 2.222 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.743 7.513 3.276 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.109 7.057 2.398 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -10.459 5.627 1.621 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.766 4.691 3.758 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.156 6.180 4.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.810 4.111 4.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.346 5.712 4.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.336 4.982 3.078 1.00 0.00 H new ATOM 1250 N THR A 80 -7.536 5.334 0.332 1.00 0.00 N ATOM 1251 CA THR A 80 -6.365 4.472 0.343 1.00 0.00 C ATOM 1252 C THR A 80 -6.193 3.704 -0.963 1.00 0.00 C ATOM 1253 O THR A 80 -5.465 2.711 -1.003 1.00 0.00 O ATOM 1254 CB THR A 80 -6.439 3.473 1.509 1.00 0.00 C ATOM 1255 OG1 THR A 80 -7.480 2.517 1.275 1.00 0.00 O ATOM 1256 CG2 THR A 80 -6.703 4.207 2.815 1.00 0.00 C ATOM 0 H THR A 80 -8.336 4.965 0.846 1.00 0.00 H new ATOM 0 HA THR A 80 -5.502 5.126 0.466 1.00 0.00 H new ATOM 0 HB THR A 80 -5.484 2.952 1.580 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.845 2.215 2.133 1.00 0.00 H new ATOM 0 HG21 THR A 80 -6.753 3.488 3.633 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.896 4.915 3.004 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.649 4.744 2.746 1.00 0.00 H new ATOM 1264 N ASP A 81 -6.858 4.154 -2.029 1.00 0.00 N ATOM 1265 CA ASP A 81 -6.735 3.484 -3.324 1.00 0.00 C ATOM 1266 C ASP A 81 -7.181 2.033 -3.236 1.00 0.00 C ATOM 1267 O ASP A 81 -6.965 1.246 -4.158 1.00 0.00 O ATOM 1268 CB ASP A 81 -5.282 3.512 -3.769 1.00 0.00 C ATOM 1269 CG ASP A 81 -4.804 4.904 -4.134 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -5.097 5.356 -5.260 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -4.136 5.542 -3.292 1.00 0.00 O ATOM 0 H ASP A 81 -7.477 4.965 -2.023 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.370 4.009 -4.038 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.655 3.116 -2.970 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.158 2.853 -4.629 1.00 0.00 H new ATOM 1276 N LEU A 82 -7.793 1.695 -2.113 1.00 0.00 N ATOM 1277 CA LEU A 82 -8.252 0.338 -1.856 1.00 0.00 C ATOM 1278 C LEU A 82 -7.046 -0.577 -1.707 1.00 0.00 C ATOM 1279 O LEU A 82 -6.922 -1.579 -2.411 1.00 0.00 O ATOM 1280 CB LEU A 82 -9.154 -0.161 -2.987 1.00 0.00 C ATOM 1281 CG LEU A 82 -10.542 0.483 -3.062 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -11.178 0.548 -1.681 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -10.452 1.871 -3.678 1.00 0.00 C ATOM 0 H LEU A 82 -7.986 2.350 -1.356 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.836 0.333 -0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.644 0.007 -3.935 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.279 -1.238 -2.879 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.174 -0.135 -3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.163 1.009 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.278 -0.460 -1.279 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.549 1.142 -1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.447 2.314 -3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.803 2.499 -3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.042 1.796 -4.685 1.00 0.00 H new ATOM 1295 N SER A 83 -6.163 -0.232 -0.781 1.00 0.00 N ATOM 1296 CA SER A 83 -4.985 -1.043 -0.518 1.00 0.00 C ATOM 1297 C SER A 83 -5.332 -2.132 0.489 1.00 0.00 C ATOM 1298 O SER A 83 -5.856 -1.839 1.563 1.00 0.00 O ATOM 1299 CB SER A 83 -3.843 -0.175 0.016 1.00 0.00 C ATOM 1300 OG SER A 83 -3.417 0.763 -0.956 1.00 0.00 O ATOM 0 H SER A 83 -6.240 0.603 -0.200 1.00 0.00 H new ATOM 0 HA SER A 83 -4.657 -1.504 -1.450 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.170 0.350 0.913 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.005 -0.809 0.306 1.00 0.00 H new ATOM 0 HG SER A 83 -4.082 1.478 -1.034 1.00 0.00 H new ATOM 1306 N PHE A 84 -5.052 -3.384 0.130 1.00 0.00 N ATOM 1307 CA PHE A 84 -5.341 -4.521 1.004 1.00 0.00 C ATOM 1308 C PHE A 84 -5.133 -4.149 2.468 1.00 0.00 C ATOM 1309 O PHE A 84 -4.166 -3.468 2.812 1.00 0.00 O ATOM 1310 CB PHE A 84 -4.459 -5.713 0.617 1.00 0.00 C ATOM 1311 CG PHE A 84 -4.426 -6.826 1.627 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -3.512 -6.812 2.669 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -5.302 -7.893 1.526 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -3.474 -7.840 3.592 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -5.269 -8.925 2.445 1.00 0.00 C ATOM 1316 CZ PHE A 84 -4.354 -8.898 3.479 1.00 0.00 C ATOM 0 H PHE A 84 -4.625 -3.637 -0.761 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.387 -4.801 0.877 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.811 -6.114 -0.334 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.441 -5.357 0.456 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.821 -5.987 2.761 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -6.020 -7.919 0.720 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.758 -7.816 4.400 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -5.958 -9.752 2.354 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.327 -9.703 4.198 1.00 0.00 H new ATOM 1326 N GLY A 85 -6.041 -4.602 3.326 1.00 0.00 N ATOM 1327 CA GLY A 85 -5.951 -4.295 4.739 1.00 0.00 C ATOM 1328 C GLY A 85 -6.581 -2.957 5.084 1.00 0.00 C ATOM 1329 O GLY A 85 -6.214 -2.336 6.083 1.00 0.00 O ATOM 0 H GLY A 85 -6.841 -5.179 3.065 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.442 -5.082 5.311 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.903 -4.288 5.040 1.00 0.00 H new ATOM 1333 N SER A 86 -7.532 -2.506 4.263 1.00 0.00 N ATOM 1334 CA SER A 86 -8.199 -1.231 4.509 1.00 0.00 C ATOM 1335 C SER A 86 -9.715 -1.374 4.542 1.00 0.00 C ATOM 1336 O SER A 86 -10.286 -2.313 3.988 1.00 0.00 O ATOM 1337 CB SER A 86 -7.813 -0.194 3.454 1.00 0.00 C ATOM 1338 OG SER A 86 -8.108 -0.656 2.148 1.00 0.00 O ATOM 0 H SER A 86 -7.853 -3.001 3.431 1.00 0.00 H new ATOM 0 HA SER A 86 -7.864 -0.892 5.489 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.348 0.737 3.643 1.00 0.00 H new ATOM 0 HB3 SER A 86 -6.749 0.029 3.532 1.00 0.00 H new ATOM 0 HG SER A 86 -7.273 -0.841 1.670 1.00 0.00 H new ATOM 1344 N GLN A 87 -10.345 -0.417 5.206 1.00 0.00 N ATOM 1345 CA GLN A 87 -11.794 -0.395 5.339 1.00 0.00 C ATOM 1346 C GLN A 87 -12.372 0.844 4.661 1.00 0.00 C ATOM 1347 O GLN A 87 -11.848 1.947 4.814 1.00 0.00 O ATOM 1348 CB GLN A 87 -12.180 -0.438 6.825 1.00 0.00 C ATOM 1349 CG GLN A 87 -13.493 0.258 7.162 1.00 0.00 C ATOM 1350 CD GLN A 87 -13.295 1.711 7.551 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -13.052 2.026 8.717 1.00 0.00 O ATOM 1352 NE2 GLN A 87 -13.413 2.606 6.579 1.00 0.00 N ATOM 0 H GLN A 87 -9.871 0.361 5.665 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.212 -1.273 4.846 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.245 -1.480 7.139 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -11.381 0.021 7.407 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.161 0.203 6.303 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.982 -0.271 7.980 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -13.615 2.301 5.627 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.302 3.599 6.784 1.00 0.00 H new ATOM 1361 N ILE A 88 -13.431 0.649 3.877 1.00 0.00 N ATOM 1362 CA ILE A 88 -14.089 1.754 3.188 1.00 0.00 C ATOM 1363 C ILE A 88 -15.576 1.790 3.528 1.00 0.00 C ATOM 1364 O ILE A 88 -16.350 0.940 3.087 1.00 0.00 O ATOM 1365 CB ILE A 88 -13.912 1.672 1.657 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -14.407 0.326 1.122 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -12.452 1.890 1.283 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -14.469 0.263 -0.388 1.00 0.00 C ATOM 0 H ILE A 88 -13.851 -0.265 3.704 1.00 0.00 H new ATOM 0 HA ILE A 88 -13.612 2.671 3.534 1.00 0.00 H new ATOM 0 HB ILE A 88 -14.512 2.459 1.200 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.749 -0.464 1.484 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -15.399 0.125 1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.341 1.830 0.200 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -12.131 2.874 1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -11.837 1.123 1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -14.828 -0.719 -0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -15.150 1.031 -0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -13.474 0.432 -0.800 1.00 0.00 H new ATOM 1380 N GLU A 89 -15.969 2.777 4.326 1.00 0.00 N ATOM 1381 CA GLU A 89 -17.361 2.916 4.735 1.00 0.00 C ATOM 1382 C GLU A 89 -18.216 3.427 3.585 1.00 0.00 C ATOM 1383 O GLU A 89 -17.697 3.862 2.558 1.00 0.00 O ATOM 1384 CB GLU A 89 -17.483 3.870 5.925 1.00 0.00 C ATOM 1385 CG GLU A 89 -16.255 3.891 6.815 1.00 0.00 C ATOM 1386 CD GLU A 89 -16.359 4.910 7.933 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -16.965 4.587 8.976 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -15.834 6.031 7.767 1.00 0.00 O ATOM 0 H GLU A 89 -15.345 3.491 4.701 1.00 0.00 H new ATOM 0 HA GLU A 89 -17.719 1.930 5.030 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -17.670 4.878 5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -18.349 3.584 6.522 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -16.106 2.900 7.245 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -15.376 4.111 6.209 1.00 0.00 H new ATOM 1395 N PHE A 90 -19.530 3.372 3.767 1.00 0.00 N ATOM 1396 CA PHE A 90 -20.455 3.843 2.748 1.00 0.00 C ATOM 1397 C PHE A 90 -21.412 4.877 3.329 1.00 0.00 C ATOM 1398 O PHE A 90 -21.325 5.221 4.508 1.00 0.00 O ATOM 1399 CB PHE A 90 -21.245 2.676 2.151 1.00 0.00 C ATOM 1400 CG PHE A 90 -20.380 1.589 1.583 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -19.897 0.577 2.397 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -20.055 1.575 0.235 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -19.103 -0.427 1.876 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -19.263 0.573 -0.290 1.00 0.00 C ATOM 1405 CZ PHE A 90 -18.786 -0.429 0.531 1.00 0.00 C ATOM 0 H PHE A 90 -19.976 3.007 4.608 1.00 0.00 H new ATOM 0 HA PHE A 90 -19.872 4.311 1.955 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -21.887 2.251 2.923 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -21.899 3.055 1.366 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -20.143 0.573 3.449 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -20.426 2.357 -0.412 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -18.730 -1.210 2.520 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -19.017 0.573 -1.342 1.00 0.00 H new ATOM 0 HZ PHE A 90 -18.166 -1.213 0.123 1.00 0.00 H new ATOM 1415 N SER A 91 -22.326 5.363 2.498 1.00 0.00 N ATOM 1416 CA SER A 91 -23.287 6.365 2.951 1.00 0.00 C ATOM 1417 C SER A 91 -24.508 6.429 2.045 1.00 0.00 C ATOM 1418 O SER A 91 -24.428 6.890 0.910 1.00 0.00 O ATOM 1419 CB SER A 91 -22.634 7.743 3.028 1.00 0.00 C ATOM 1420 OG SER A 91 -21.607 7.772 4.004 1.00 0.00 O ATOM 0 H SER A 91 -22.423 5.086 1.521 1.00 0.00 H new ATOM 0 HA SER A 91 -23.617 6.064 3.946 1.00 0.00 H new ATOM 0 HB2 SER A 91 -22.221 8.007 2.054 1.00 0.00 H new ATOM 0 HB3 SER A 91 -23.388 8.492 3.268 1.00 0.00 H new ATOM 0 HG SER A 91 -21.615 6.934 4.513 1.00 0.00 H new ATOM 1426 N CYS A 92 -25.638 5.981 2.571 1.00 0.00 N ATOM 1427 CA CYS A 92 -26.874 6.007 1.797 1.00 0.00 C ATOM 1428 C CYS A 92 -27.560 7.364 1.958 1.00 0.00 C ATOM 1429 O CYS A 92 -27.825 7.815 3.072 1.00 0.00 O ATOM 1430 CB CYS A 92 -27.807 4.864 2.201 1.00 0.00 C ATOM 1431 SG CYS A 92 -27.292 3.220 1.599 1.00 0.00 S ATOM 0 H CYS A 92 -25.727 5.601 3.513 1.00 0.00 H new ATOM 0 HA CYS A 92 -26.627 5.864 0.745 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -27.875 4.834 3.288 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -28.807 5.078 1.825 1.00 0.00 H new ATOM 1436 N SER A 93 -27.825 8.002 0.822 1.00 0.00 N ATOM 1437 CA SER A 93 -28.452 9.328 0.789 1.00 0.00 C ATOM 1438 C SER A 93 -29.618 9.484 1.772 1.00 0.00 C ATOM 1439 O SER A 93 -30.162 8.513 2.286 1.00 0.00 O ATOM 1440 CB SER A 93 -28.945 9.642 -0.623 1.00 0.00 C ATOM 1441 OG SER A 93 -27.861 9.898 -1.498 1.00 0.00 O ATOM 0 H SER A 93 -27.614 7.620 -0.100 1.00 0.00 H new ATOM 0 HA SER A 93 -27.678 10.032 1.096 1.00 0.00 H new ATOM 0 HB2 SER A 93 -29.531 8.804 -1.001 1.00 0.00 H new ATOM 0 HB3 SER A 93 -29.607 10.508 -0.596 1.00 0.00 H new ATOM 0 HG SER A 93 -28.204 10.094 -2.395 1.00 0.00 H new ATOM 1447 N GLU A 94 -29.978 10.745 2.002 1.00 0.00 N ATOM 1448 CA GLU A 94 -31.079 11.140 2.886 1.00 0.00 C ATOM 1449 C GLU A 94 -32.180 10.090 3.039 1.00 0.00 C ATOM 1450 O GLU A 94 -32.267 9.424 4.072 1.00 0.00 O ATOM 1451 CB GLU A 94 -31.690 12.444 2.364 1.00 0.00 C ATOM 1452 CG GLU A 94 -32.990 12.831 3.045 1.00 0.00 C ATOM 1453 CD GLU A 94 -32.816 13.114 4.525 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -32.744 12.145 5.309 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -32.754 14.304 4.898 1.00 0.00 O ATOM 0 H GLU A 94 -29.504 11.539 1.571 1.00 0.00 H new ATOM 0 HA GLU A 94 -30.646 11.263 3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -30.968 13.250 2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -31.867 12.347 1.293 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -33.402 13.714 2.557 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -33.716 12.028 2.916 1.00 0.00 H new ATOM 1462 N GLY A 95 -33.011 9.941 2.022 1.00 0.00 N ATOM 1463 CA GLY A 95 -34.135 9.020 2.112 1.00 0.00 C ATOM 1464 C GLY A 95 -33.759 7.552 2.086 1.00 0.00 C ATOM 1465 O GLY A 95 -34.565 6.705 2.464 1.00 0.00 O ATOM 0 H GLY A 95 -32.933 10.438 1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -34.681 9.224 3.033 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -34.817 9.220 1.286 1.00 0.00 H new ATOM 1469 N PHE A 96 -32.551 7.235 1.650 1.00 0.00 N ATOM 1470 CA PHE A 96 -32.138 5.838 1.568 1.00 0.00 C ATOM 1471 C PHE A 96 -31.118 5.513 2.657 1.00 0.00 C ATOM 1472 O PHE A 96 -30.141 6.234 2.836 1.00 0.00 O ATOM 1473 CB PHE A 96 -31.558 5.545 0.184 1.00 0.00 C ATOM 1474 CG PHE A 96 -32.381 6.120 -0.934 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -33.648 5.628 -1.203 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -31.890 7.158 -1.709 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -34.410 6.160 -2.225 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -32.649 7.695 -2.733 1.00 0.00 C ATOM 1479 CZ PHE A 96 -33.910 7.195 -2.991 1.00 0.00 C ATOM 0 H PHE A 96 -31.848 7.911 1.351 1.00 0.00 H new ATOM 0 HA PHE A 96 -33.012 5.206 1.723 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -30.547 5.948 0.128 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -31.479 4.466 0.051 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -34.044 4.819 -0.607 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -30.904 7.552 -1.512 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -35.396 5.767 -2.425 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -32.256 8.504 -3.330 1.00 0.00 H new ATOM 0 HZ PHE A 96 -34.504 7.612 -3.790 1.00 0.00 H new ATOM 1489 N PHE A 97 -31.361 4.433 3.397 1.00 0.00 N ATOM 1490 CA PHE A 97 -30.452 4.026 4.465 1.00 0.00 C ATOM 1491 C PHE A 97 -29.510 2.927 3.991 1.00 0.00 C ATOM 1492 O PHE A 97 -29.724 2.291 2.960 1.00 0.00 O ATOM 1493 CB PHE A 97 -31.227 3.582 5.712 1.00 0.00 C ATOM 1494 CG PHE A 97 -32.102 2.377 5.514 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -33.263 2.460 4.762 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -31.774 1.163 6.098 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -34.079 1.358 4.595 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -32.586 0.057 5.932 1.00 0.00 C ATOM 1499 CZ PHE A 97 -33.740 0.155 5.180 1.00 0.00 C ATOM 0 H PHE A 97 -32.174 3.828 3.278 1.00 0.00 H new ATOM 0 HA PHE A 97 -29.849 4.893 4.737 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -30.514 3.369 6.509 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -31.847 4.412 6.052 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -33.533 3.398 4.301 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -30.874 1.081 6.689 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -34.981 1.438 4.007 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -32.318 -0.884 6.390 1.00 0.00 H new ATOM 0 HZ PHE A 97 -34.376 -0.708 5.050 1.00 0.00 H new ATOM 1509 N LEU A 98 -28.467 2.725 4.788 1.00 0.00 N ATOM 1510 CA LEU A 98 -27.432 1.740 4.498 1.00 0.00 C ATOM 1511 C LEU A 98 -27.844 0.344 4.952 1.00 0.00 C ATOM 1512 O LEU A 98 -28.400 0.169 6.037 1.00 0.00 O ATOM 1513 CB LEU A 98 -26.135 2.159 5.207 1.00 0.00 C ATOM 1514 CG LEU A 98 -24.844 1.485 4.723 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -24.858 -0.008 5.019 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -24.633 1.735 3.241 1.00 0.00 C ATOM 0 H LEU A 98 -28.315 3.241 5.655 1.00 0.00 H new ATOM 0 HA LEU A 98 -27.279 1.703 3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -26.019 3.237 5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -26.247 1.957 6.272 1.00 0.00 H new ATOM 0 HG LEU A 98 -24.011 1.927 5.270 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -23.931 -0.458 4.665 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -24.950 -0.165 6.094 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -25.704 -0.472 4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -23.713 1.249 2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -25.475 1.329 2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -24.560 2.807 3.060 1.00 0.00 H new ATOM 1528 N ILE A 99 -27.562 -0.648 4.109 1.00 0.00 N ATOM 1529 CA ILE A 99 -27.856 -2.053 4.395 1.00 0.00 C ATOM 1530 C ILE A 99 -26.972 -2.940 3.537 1.00 0.00 C ATOM 1531 O ILE A 99 -26.967 -2.853 2.310 1.00 0.00 O ATOM 1532 CB ILE A 99 -29.318 -2.425 4.075 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -30.183 -1.177 3.952 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -29.869 -3.361 5.138 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -31.461 -1.397 3.173 1.00 0.00 C ATOM 0 H ILE A 99 -27.120 -0.499 3.202 1.00 0.00 H new ATOM 0 HA ILE A 99 -27.675 -2.201 5.460 1.00 0.00 H new ATOM 0 HB ILE A 99 -29.339 -2.941 3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -30.434 -0.820 4.951 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -29.604 -0.391 3.468 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -30.902 -3.615 4.899 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -29.269 -4.271 5.168 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -29.832 -2.870 6.110 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -32.024 -0.465 3.127 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -31.219 -1.725 2.162 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -32.062 -2.160 3.668 1.00 0.00 H new ATOM 1547 N GLY A 100 -26.224 -3.796 4.219 1.00 0.00 N ATOM 1548 CA GLY A 100 -25.305 -4.698 3.558 1.00 0.00 C ATOM 1549 C GLY A 100 -24.064 -4.929 4.390 1.00 0.00 C ATOM 1550 O GLY A 100 -23.787 -6.045 4.831 1.00 0.00 O ATOM 0 H GLY A 100 -26.240 -3.881 5.235 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -25.800 -5.650 3.369 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -25.024 -4.287 2.588 1.00 0.00 H new ATOM 1554 N SER A 101 -23.334 -3.845 4.606 1.00 0.00 N ATOM 1555 CA SER A 101 -22.103 -3.846 5.382 1.00 0.00 C ATOM 1556 C SER A 101 -21.462 -2.477 5.254 1.00 0.00 C ATOM 1557 O SER A 101 -20.812 -2.185 4.250 1.00 0.00 O ATOM 1558 CB SER A 101 -21.137 -4.925 4.882 1.00 0.00 C ATOM 1559 OG SER A 101 -19.981 -4.994 5.699 1.00 0.00 O ATOM 0 H SER A 101 -23.584 -2.926 4.241 1.00 0.00 H new ATOM 0 HA SER A 101 -22.332 -4.066 6.425 1.00 0.00 H new ATOM 0 HB2 SER A 101 -21.639 -5.892 4.875 1.00 0.00 H new ATOM 0 HB3 SER A 101 -20.847 -4.709 3.854 1.00 0.00 H new ATOM 0 HG SER A 101 -19.265 -4.458 5.298 1.00 0.00 H new ATOM 1565 N THR A 102 -21.647 -1.628 6.261 1.00 0.00 N ATOM 1566 CA THR A 102 -21.113 -0.278 6.210 1.00 0.00 C ATOM 1567 C THR A 102 -19.606 -0.291 6.071 1.00 0.00 C ATOM 1568 O THR A 102 -18.993 0.737 5.800 1.00 0.00 O ATOM 1569 CB THR A 102 -21.490 0.537 7.463 1.00 0.00 C ATOM 1570 OG1 THR A 102 -20.797 0.022 8.606 1.00 0.00 O ATOM 1571 CG2 THR A 102 -22.988 0.491 7.716 1.00 0.00 C ATOM 0 H THR A 102 -22.159 -1.852 7.114 1.00 0.00 H new ATOM 0 HA THR A 102 -21.557 0.196 5.335 1.00 0.00 H new ATOM 0 HB THR A 102 -21.200 1.574 7.292 1.00 0.00 H new ATOM 0 HG1 THR A 102 -21.039 0.545 9.399 1.00 0.00 H new ATOM 0 HG21 THR A 102 -23.225 1.074 8.606 1.00 0.00 H new ATOM 0 HG22 THR A 102 -23.515 0.908 6.858 1.00 0.00 H new ATOM 0 HG23 THR A 102 -23.300 -0.543 7.866 1.00 0.00 H new ATOM 1579 N THR A 103 -19.011 -1.454 6.262 1.00 0.00 N ATOM 1580 CA THR A 103 -17.581 -1.584 6.136 1.00 0.00 C ATOM 1581 C THR A 103 -17.240 -2.516 4.988 1.00 0.00 C ATOM 1582 O THR A 103 -18.048 -3.361 4.601 1.00 0.00 O ATOM 1583 CB THR A 103 -16.948 -2.098 7.430 1.00 0.00 C ATOM 1584 OG1 THR A 103 -17.469 -3.391 7.760 1.00 0.00 O ATOM 1585 CG2 THR A 103 -17.207 -1.129 8.572 1.00 0.00 C ATOM 0 H THR A 103 -19.499 -2.317 6.504 1.00 0.00 H new ATOM 0 HA THR A 103 -17.174 -0.594 5.932 1.00 0.00 H new ATOM 0 HB THR A 103 -15.872 -2.179 7.276 1.00 0.00 H new ATOM 0 HG1 THR A 103 -17.054 -3.709 8.589 1.00 0.00 H new ATOM 0 HG21 THR A 103 -16.749 -1.511 9.484 1.00 0.00 H new ATOM 0 HG22 THR A 103 -16.776 -0.157 8.330 1.00 0.00 H new ATOM 0 HG23 THR A 103 -18.281 -1.022 8.722 1.00 0.00 H new ATOM 1593 N SER A 104 -16.043 -2.362 4.448 1.00 0.00 N ATOM 1594 CA SER A 104 -15.576 -3.208 3.370 1.00 0.00 C ATOM 1595 C SER A 104 -14.071 -3.377 3.494 1.00 0.00 C ATOM 1596 O SER A 104 -13.312 -2.421 3.325 1.00 0.00 O ATOM 1597 CB SER A 104 -15.949 -2.617 2.009 1.00 0.00 C ATOM 1598 OG SER A 104 -17.329 -2.786 1.743 1.00 0.00 O ATOM 0 H SER A 104 -15.374 -1.651 4.744 1.00 0.00 H new ATOM 0 HA SER A 104 -16.057 -4.183 3.442 1.00 0.00 H new ATOM 0 HB2 SER A 104 -15.698 -1.556 1.988 1.00 0.00 H new ATOM 0 HB3 SER A 104 -15.363 -3.099 1.226 1.00 0.00 H new ATOM 0 HG SER A 104 -17.728 -1.918 1.524 1.00 0.00 H new ATOM 1604 N ARG A 105 -13.644 -4.596 3.791 1.00 0.00 N ATOM 1605 CA ARG A 105 -12.230 -4.899 3.971 1.00 0.00 C ATOM 1606 C ARG A 105 -11.610 -5.467 2.703 1.00 0.00 C ATOM 1607 O ARG A 105 -12.243 -6.225 1.969 1.00 0.00 O ATOM 1608 CB ARG A 105 -12.048 -5.890 5.122 1.00 0.00 C ATOM 1609 CG ARG A 105 -12.639 -5.413 6.438 1.00 0.00 C ATOM 1610 CD ARG A 105 -12.397 -6.417 7.553 1.00 0.00 C ATOM 1611 NE ARG A 105 -12.853 -5.921 8.848 1.00 0.00 N ATOM 1612 CZ ARG A 105 -12.944 -6.678 9.937 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -12.620 -7.964 9.883 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -13.358 -6.152 11.082 1.00 0.00 N ATOM 0 H ARG A 105 -14.262 -5.398 3.913 1.00 0.00 H new ATOM 0 HA ARG A 105 -11.720 -3.965 4.206 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.510 -6.839 4.849 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -10.984 -6.082 5.260 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.199 -4.453 6.709 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -13.710 -5.250 6.319 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.913 -7.348 7.320 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -11.333 -6.648 7.608 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.117 -4.938 8.921 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.301 -8.373 9.005 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.690 -8.543 10.720 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -13.608 -5.164 11.129 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -13.427 -6.735 11.916 1.00 0.00 H new ATOM 1628 N CYS A 106 -10.358 -5.101 2.468 1.00 0.00 N ATOM 1629 CA CYS A 106 -9.622 -5.561 1.304 1.00 0.00 C ATOM 1630 C CYS A 106 -8.802 -6.786 1.669 1.00 0.00 C ATOM 1631 O CYS A 106 -7.905 -6.714 2.508 1.00 0.00 O ATOM 1632 CB CYS A 106 -8.709 -4.453 0.783 1.00 0.00 C ATOM 1633 SG CYS A 106 -9.284 -3.675 -0.759 1.00 0.00 S ATOM 0 H CYS A 106 -9.827 -4.479 3.078 1.00 0.00 H new ATOM 0 HA CYS A 106 -10.329 -5.825 0.518 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -8.614 -3.685 1.551 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -7.713 -4.865 0.619 1.00 0.00 H new ATOM 1638 N GLU A 107 -9.114 -7.909 1.044 1.00 0.00 N ATOM 1639 CA GLU A 107 -8.425 -9.153 1.333 1.00 0.00 C ATOM 1640 C GLU A 107 -7.747 -9.701 0.081 1.00 0.00 C ATOM 1641 O GLU A 107 -7.803 -9.086 -0.982 1.00 0.00 O ATOM 1642 CB GLU A 107 -9.426 -10.157 1.902 1.00 0.00 C ATOM 1643 CG GLU A 107 -8.963 -10.832 3.184 1.00 0.00 C ATOM 1644 CD GLU A 107 -7.892 -11.878 2.949 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -8.245 -13.014 2.572 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -6.699 -11.562 3.144 1.00 0.00 O ATOM 0 H GLU A 107 -9.841 -7.984 0.333 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.643 -8.972 2.071 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.370 -9.646 2.093 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.624 -10.922 1.152 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.580 -10.075 3.869 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -9.819 -11.299 3.672 1.00 0.00 H new ATOM 1653 N VAL A 108 -7.084 -10.843 0.226 1.00 0.00 N ATOM 1654 CA VAL A 108 -6.392 -11.457 -0.901 1.00 0.00 C ATOM 1655 C VAL A 108 -6.602 -12.963 -0.995 1.00 0.00 C ATOM 1656 O VAL A 108 -6.477 -13.697 -0.014 1.00 0.00 O ATOM 1657 CB VAL A 108 -4.881 -11.161 -0.864 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -4.123 -12.072 -1.822 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -4.628 -9.706 -1.210 1.00 0.00 C ATOM 0 H VAL A 108 -7.011 -11.358 1.103 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.836 -11.005 -1.787 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.518 -11.355 0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.058 -11.843 -1.777 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.282 -13.112 -1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.485 -11.914 -2.838 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.557 -9.506 -1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.009 -9.498 -2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.136 -9.067 -0.488 1.00 0.00 H new ATOM 1669 N GLN A 109 -6.925 -13.396 -2.208 1.00 0.00 N ATOM 1670 CA GLN A 109 -7.137 -14.805 -2.500 1.00 0.00 C ATOM 1671 C GLN A 109 -6.289 -15.224 -3.697 1.00 0.00 C ATOM 1672 O GLN A 109 -6.134 -14.463 -4.651 1.00 0.00 O ATOM 1673 CB GLN A 109 -8.617 -15.072 -2.779 1.00 0.00 C ATOM 1674 CG GLN A 109 -9.536 -14.620 -1.654 1.00 0.00 C ATOM 1675 CD GLN A 109 -11.003 -14.830 -1.976 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -11.365 -15.749 -2.712 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -11.859 -13.977 -1.423 1.00 0.00 N ATOM 0 H GLN A 109 -7.047 -12.781 -3.013 1.00 0.00 H new ATOM 0 HA GLN A 109 -6.836 -15.393 -1.633 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.903 -14.562 -3.699 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.760 -16.139 -2.948 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.286 -15.166 -0.745 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -9.361 -13.564 -1.450 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.516 -13.230 -0.819 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.859 -14.070 -1.602 1.00 0.00 H new ATOM 1686 N ASP A 110 -5.742 -16.434 -3.638 1.00 0.00 N ATOM 1687 CA ASP A 110 -4.901 -16.948 -4.713 1.00 0.00 C ATOM 1688 C ASP A 110 -3.669 -16.071 -4.908 1.00 0.00 C ATOM 1689 O ASP A 110 -2.631 -16.294 -4.283 1.00 0.00 O ATOM 1690 CB ASP A 110 -5.700 -17.040 -6.014 1.00 0.00 C ATOM 1691 CG ASP A 110 -6.681 -18.194 -6.011 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -7.825 -18.001 -5.548 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -6.307 -19.293 -6.475 1.00 0.00 O ATOM 0 H ASP A 110 -5.866 -17.077 -2.856 1.00 0.00 H new ATOM 0 HA ASP A 110 -4.566 -17.947 -4.435 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -6.242 -16.107 -6.171 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -5.012 -17.154 -6.852 1.00 0.00 H new ATOM 1698 N ARG A 111 -3.791 -15.076 -5.775 1.00 0.00 N ATOM 1699 CA ARG A 111 -2.693 -14.162 -6.053 1.00 0.00 C ATOM 1700 C ARG A 111 -3.184 -12.932 -6.811 1.00 0.00 C ATOM 1701 O ARG A 111 -2.425 -12.298 -7.544 1.00 0.00 O ATOM 1702 CB ARG A 111 -1.602 -14.876 -6.851 1.00 0.00 C ATOM 1703 CG ARG A 111 -2.028 -15.267 -8.257 1.00 0.00 C ATOM 1704 CD ARG A 111 -0.894 -15.939 -9.015 1.00 0.00 C ATOM 1705 NE ARG A 111 -1.257 -16.238 -10.398 1.00 0.00 N ATOM 1706 CZ ARG A 111 -0.458 -16.873 -11.251 1.00 0.00 C ATOM 1707 NH1 ARG A 111 0.744 -17.280 -10.863 1.00 0.00 N ATOM 1708 NH2 ARG A 111 -0.861 -17.103 -12.493 1.00 0.00 N ATOM 0 H ARG A 111 -4.643 -14.881 -6.300 1.00 0.00 H new ATOM 0 HA ARG A 111 -2.277 -13.830 -5.102 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -0.727 -14.229 -6.913 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -1.297 -15.772 -6.311 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -2.883 -15.942 -8.205 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -2.355 -14.380 -8.800 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -0.017 -15.292 -9.003 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -0.616 -16.862 -8.506 1.00 0.00 H new ATOM 0 HE ARG A 111 -2.176 -15.943 -10.728 1.00 0.00 H new ATOM 0 HH11 ARG A 111 1.058 -17.106 -9.908 1.00 0.00 H new ATOM 0 HH12 ARG A 111 1.354 -17.767 -11.520 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -1.785 -16.793 -12.795 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -0.247 -17.590 -13.146 1.00 0.00 H new ATOM 1722 N GLY A 112 -4.455 -12.596 -6.623 1.00 0.00 N ATOM 1723 CA GLY A 112 -5.022 -11.442 -7.294 1.00 0.00 C ATOM 1724 C GLY A 112 -5.911 -10.622 -6.388 1.00 0.00 C ATOM 1725 O GLY A 112 -6.750 -9.857 -6.862 1.00 0.00 O ATOM 0 H GLY A 112 -5.102 -13.102 -6.018 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -4.216 -10.813 -7.672 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -5.598 -11.775 -8.158 1.00 0.00 H new ATOM 1729 N VAL A 113 -5.697 -10.772 -5.081 1.00 0.00 N ATOM 1730 CA VAL A 113 -6.458 -10.055 -4.050 1.00 0.00 C ATOM 1731 C VAL A 113 -7.968 -10.180 -4.253 1.00 0.00 C ATOM 1732 O VAL A 113 -8.473 -10.169 -5.373 1.00 0.00 O ATOM 1733 CB VAL A 113 -6.040 -8.563 -3.937 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -5.195 -8.138 -5.117 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -7.238 -7.643 -3.784 1.00 0.00 C ATOM 0 H VAL A 113 -4.986 -11.398 -4.702 1.00 0.00 H new ATOM 0 HA VAL A 113 -6.210 -10.539 -3.105 1.00 0.00 H new ATOM 0 HB VAL A 113 -5.439 -8.475 -3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.919 -7.089 -5.008 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.293 -8.748 -5.157 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.763 -8.270 -6.038 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.897 -6.611 -3.709 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -7.890 -7.747 -4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -7.789 -7.910 -2.882 1.00 0.00 H new ATOM 1745 N GLY A 114 -8.683 -10.301 -3.143 1.00 0.00 N ATOM 1746 CA GLY A 114 -10.118 -10.451 -3.250 1.00 0.00 C ATOM 1747 C GLY A 114 -10.890 -9.358 -2.532 1.00 0.00 C ATOM 1748 O GLY A 114 -10.443 -8.857 -1.501 1.00 0.00 O ATOM 0 H GLY A 114 -8.307 -10.298 -2.195 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -10.399 -10.453 -4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.407 -11.419 -2.841 1.00 0.00 H new ATOM 1752 N TRP A 115 -12.049 -8.985 -3.067 1.00 0.00 N ATOM 1753 CA TRP A 115 -12.885 -7.969 -2.438 1.00 0.00 C ATOM 1754 C TRP A 115 -14.013 -8.630 -1.655 1.00 0.00 C ATOM 1755 O TRP A 115 -14.856 -9.317 -2.234 1.00 0.00 O ATOM 1756 CB TRP A 115 -13.483 -7.007 -3.473 1.00 0.00 C ATOM 1757 CG TRP A 115 -13.121 -5.570 -3.239 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -12.659 -4.683 -4.168 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -13.189 -4.850 -2.000 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -12.440 -3.458 -3.586 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -12.756 -3.536 -2.257 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -13.576 -5.188 -0.700 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -12.699 -2.563 -1.264 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -13.517 -4.219 0.285 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -13.082 -2.921 -0.002 1.00 0.00 C ATOM 0 H TRP A 115 -12.429 -9.370 -3.932 1.00 0.00 H new ATOM 0 HA TRP A 115 -12.250 -7.395 -1.763 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -13.145 -7.301 -4.467 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -14.568 -7.105 -3.463 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -12.490 -4.911 -5.210 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -12.098 -2.626 -4.066 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -13.915 -6.187 -0.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -12.364 -1.560 -1.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -13.812 -4.469 1.293 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.048 -2.187 0.790 1.00 0.00 H new ATOM 1776 N SER A 116 -14.024 -8.424 -0.342 1.00 0.00 N ATOM 1777 CA SER A 116 -15.056 -9.004 0.511 1.00 0.00 C ATOM 1778 C SER A 116 -16.444 -8.722 -0.055 1.00 0.00 C ATOM 1779 O SER A 116 -17.152 -9.638 -0.474 1.00 0.00 O ATOM 1780 CB SER A 116 -14.947 -8.448 1.934 1.00 0.00 C ATOM 1781 OG SER A 116 -14.979 -7.031 1.932 1.00 0.00 O ATOM 0 H SER A 116 -13.332 -7.862 0.154 1.00 0.00 H new ATOM 0 HA SER A 116 -14.906 -10.083 0.541 1.00 0.00 H new ATOM 0 HB2 SER A 116 -15.766 -8.832 2.542 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.020 -8.793 2.393 1.00 0.00 H new ATOM 0 HG SER A 116 -14.063 -6.683 1.929 1.00 0.00 H new ATOM 1787 N HIS A 117 -16.822 -7.449 -0.069 1.00 0.00 N ATOM 1788 CA HIS A 117 -18.120 -7.036 -0.591 1.00 0.00 C ATOM 1789 C HIS A 117 -18.047 -5.619 -1.155 1.00 0.00 C ATOM 1790 O HIS A 117 -17.350 -4.763 -0.610 1.00 0.00 O ATOM 1791 CB HIS A 117 -19.186 -7.104 0.507 1.00 0.00 C ATOM 1792 CG HIS A 117 -19.594 -8.499 0.865 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -19.258 -9.099 2.060 1.00 0.00 N ATOM 1794 CD2 HIS A 117 -20.321 -9.414 0.179 1.00 0.00 C ATOM 1795 CE1 HIS A 117 -19.759 -10.321 2.094 1.00 0.00 C ATOM 1796 NE2 HIS A 117 -20.408 -10.537 0.965 1.00 0.00 N ATOM 0 H HIS A 117 -16.245 -6.682 0.277 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.395 -7.720 -1.394 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -18.808 -6.605 1.399 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -20.066 -6.550 0.181 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -20.752 -9.284 -0.803 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -19.655 -11.024 2.907 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -20.895 -11.398 0.717 1.00 0.00 H new ATOM 1805 N PRO A 118 -18.766 -5.353 -2.261 1.00 0.00 N ATOM 1806 CA PRO A 118 -18.789 -4.049 -2.899 1.00 0.00 C ATOM 1807 C PRO A 118 -19.901 -3.171 -2.333 1.00 0.00 C ATOM 1808 O PRO A 118 -20.212 -3.243 -1.143 1.00 0.00 O ATOM 1809 CB PRO A 118 -19.062 -4.386 -4.372 1.00 0.00 C ATOM 1810 CG PRO A 118 -19.504 -5.821 -4.407 1.00 0.00 C ATOM 1811 CD PRO A 118 -19.625 -6.290 -2.981 1.00 0.00 C ATOM 0 HA PRO A 118 -17.867 -3.488 -2.745 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.832 -3.733 -4.783 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.166 -4.241 -4.975 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -20.459 -5.916 -4.925 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -18.784 -6.431 -4.952 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -20.655 -6.249 -2.627 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -19.289 -7.320 -2.864 1.00 0.00 H new ATOM 1819 N LEU A 119 -20.492 -2.342 -3.187 1.00 0.00 N ATOM 1820 CA LEU A 119 -21.571 -1.459 -2.781 1.00 0.00 C ATOM 1821 C LEU A 119 -22.634 -2.205 -1.972 1.00 0.00 C ATOM 1822 O LEU A 119 -22.905 -3.380 -2.221 1.00 0.00 O ATOM 1823 CB LEU A 119 -22.221 -0.825 -4.011 1.00 0.00 C ATOM 1824 CG LEU A 119 -21.274 -0.451 -5.158 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -19.977 0.134 -4.624 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -21.002 -1.653 -6.051 1.00 0.00 C ATOM 0 H LEU A 119 -20.237 -2.266 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 119 -21.141 -0.683 -2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -22.971 -1.515 -4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -22.749 0.075 -3.695 1.00 0.00 H new ATOM 0 HG LEU A 119 -21.763 0.314 -5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -19.323 0.391 -5.458 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -20.194 1.031 -4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -19.482 -0.599 -3.987 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -20.328 -1.362 -6.857 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -20.543 -2.447 -5.462 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -21.940 -2.012 -6.474 1.00 0.00 H new ATOM 1838 N PRO A 120 -23.248 -1.521 -0.989 1.00 0.00 N ATOM 1839 CA PRO A 120 -24.289 -2.102 -0.139 1.00 0.00 C ATOM 1840 C PRO A 120 -25.672 -2.016 -0.782 1.00 0.00 C ATOM 1841 O PRO A 120 -25.832 -2.313 -1.966 1.00 0.00 O ATOM 1842 CB PRO A 120 -24.218 -1.222 1.102 1.00 0.00 C ATOM 1843 CG PRO A 120 -23.862 0.122 0.568 1.00 0.00 C ATOM 1844 CD PRO A 120 -22.967 -0.119 -0.620 1.00 0.00 C ATOM 0 HA PRO A 120 -24.137 -3.164 0.053 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -25.170 -1.202 1.632 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -23.468 -1.584 1.806 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -24.756 0.674 0.276 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -23.352 0.718 1.324 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -23.195 0.564 -1.438 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -21.917 0.026 -0.367 1.00 0.00 H new ATOM 1852 N GLN A 121 -26.672 -1.611 0.002 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.038 -1.484 -0.495 1.00 0.00 C ATOM 1854 C GLN A 121 -28.695 -0.217 0.049 1.00 0.00 C ATOM 1855 O GLN A 121 -28.983 -0.125 1.242 1.00 0.00 O ATOM 1856 CB GLN A 121 -28.863 -2.704 -0.083 1.00 0.00 C ATOM 1857 CG GLN A 121 -30.189 -2.822 -0.817 1.00 0.00 C ATOM 1858 CD GLN A 121 -30.032 -3.359 -2.225 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -30.797 -3.010 -3.125 1.00 0.00 O ATOM 1860 NE2 GLN A 121 -29.040 -4.221 -2.424 1.00 0.00 N ATOM 0 H GLN A 121 -26.559 -1.365 0.985 1.00 0.00 H new ATOM 0 HA GLN A 121 -28.000 -1.422 -1.583 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -28.277 -3.605 -0.263 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -29.054 -2.657 0.989 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -30.854 -3.478 -0.255 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -30.666 -1.843 -0.857 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -28.429 -4.483 -1.650 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -28.890 -4.620 -3.350 1.00 0.00 H new ATOM 1869 N CYS A 122 -28.929 0.756 -0.827 1.00 0.00 N ATOM 1870 CA CYS A 122 -29.564 1.999 -0.404 1.00 0.00 C ATOM 1871 C CYS A 122 -31.042 1.999 -0.787 1.00 0.00 C ATOM 1872 O CYS A 122 -31.395 2.140 -1.958 1.00 0.00 O ATOM 1873 CB CYS A 122 -28.853 3.209 -1.011 1.00 0.00 C ATOM 1874 SG CYS A 122 -27.145 3.455 -0.412 1.00 0.00 S ATOM 0 H CYS A 122 -28.693 0.710 -1.818 1.00 0.00 H new ATOM 0 HA CYS A 122 -29.486 2.069 0.681 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -28.833 3.098 -2.095 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -29.435 4.105 -0.793 1.00 0.00 H new ATOM 1879 N GLU A 123 -31.896 1.838 0.218 1.00 0.00 N ATOM 1880 CA GLU A 123 -33.340 1.803 -0.003 1.00 0.00 C ATOM 1881 C GLU A 123 -34.049 2.830 0.871 1.00 0.00 C ATOM 1882 O GLU A 123 -33.605 3.149 1.973 1.00 0.00 O ATOM 1883 CB GLU A 123 -33.890 0.404 0.282 1.00 0.00 C ATOM 1884 CG GLU A 123 -35.335 0.216 -0.152 1.00 0.00 C ATOM 1885 CD GLU A 123 -35.515 0.348 -1.652 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -35.716 1.484 -2.129 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -35.454 -0.686 -2.351 1.00 0.00 O ATOM 0 H GLU A 123 -31.615 1.730 1.193 1.00 0.00 H new ATOM 0 HA GLU A 123 -33.527 2.051 -1.048 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -33.268 -0.332 -0.227 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -33.812 0.203 1.350 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -35.681 -0.767 0.167 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -35.961 0.953 0.352 1.00 0.00 H new ATOM 1894 N ILE A 124 -35.159 3.345 0.347 1.00 0.00 N ATOM 1895 CA ILE A 124 -35.939 4.358 1.049 1.00 0.00 C ATOM 1896 C ILE A 124 -36.332 3.882 2.447 1.00 0.00 C ATOM 1897 O ILE A 124 -36.680 2.716 2.641 1.00 0.00 O ATOM 1898 CB ILE A 124 -37.212 4.727 0.258 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -37.911 5.926 0.898 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -38.158 3.538 0.178 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -37.195 7.239 0.665 1.00 0.00 C ATOM 0 H ILE A 124 -35.537 3.077 -0.561 1.00 0.00 H new ATOM 0 HA ILE A 124 -35.308 5.242 1.140 1.00 0.00 H new ATOM 0 HB ILE A 124 -36.919 4.999 -0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -38.924 5.999 0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -37.999 5.755 1.971 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -39.049 3.819 -0.383 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -37.659 2.709 -0.324 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -38.445 3.233 1.184 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -37.748 8.045 1.147 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -36.191 7.185 1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -37.130 7.433 -0.406 1.00 0.00 H new ATOM 1913 N LEU A 125 -36.268 4.789 3.416 1.00 0.00 N ATOM 1914 CA LEU A 125 -36.615 4.463 4.796 1.00 0.00 C ATOM 1915 C LEU A 125 -37.920 5.137 5.210 1.00 0.00 C ATOM 1916 O LEU A 125 -38.482 4.827 6.261 1.00 0.00 O ATOM 1917 CB LEU A 125 -35.479 4.873 5.739 1.00 0.00 C ATOM 1918 CG LEU A 125 -35.023 6.330 5.626 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -35.881 7.233 6.500 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -33.555 6.455 6.006 1.00 0.00 C ATOM 0 H LEU A 125 -35.979 5.756 3.272 1.00 0.00 H new ATOM 0 HA LEU A 125 -36.758 3.385 4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -35.797 4.689 6.765 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -34.622 4.226 5.550 1.00 0.00 H new ATOM 0 HG LEU A 125 -35.142 6.649 4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -35.539 8.264 6.404 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -36.922 7.165 6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -35.798 6.918 7.540 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -33.245 7.496 5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -33.415 6.117 7.033 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -32.952 5.841 5.337 1.00 0.00 H new