USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 747 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 40 MET CE :methyl -162:sc= -1.24 (180deg=-2.38!) USER MOD Set 1.2: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 79 TYR OH : rot -9:sc= 2.17 USER MOD Set 2.1: A 78 THR OG1 : rot 27:sc= -2.93 USER MOD Set 2.2: A 100 LYS NZ :NH3+ 146:sc= -0.0256 (180deg=-1.42!) USER MOD Set 3.1: A 28 ASN :FLIP amide:sc= -1.88 F(o=-4!,f=-2.2) USER MOD Set 3.2: A 66 MET CE :methyl -113:sc= -0.346 (180deg=-0.492) USER MOD Set 4.1: A 24 HIS : no HD1:sc= -2.29! C(o=-2.3!,f=-4!) USER MOD Set 4.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.36) USER MOD Single : A 1 HIS N :NH3+ -133:sc= -2.49! (180deg=-5.87!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= -0.823 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.375 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -2.1 K(o=-2.1,f=-8.8!) USER MOD Single : A 34 SER OG : rot 36:sc= 0.481 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -63:sc= 0.474 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.17 X(o=-0.17,f=-0.014) USER MOD Single : A 49 SER OG : rot 59:sc= 1.13 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.595 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 69:sc= 1.14 USER MOD Single : A 91 HIS : no HD1:sc= -0.0525 X(o=-0.053,f=-0.34) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 12.189 9.762 -7.445 1.00 7.28 N ATOM 2 CA HIS A 1 13.366 8.910 -7.443 1.00 6.28 C ATOM 3 C HIS A 1 13.250 7.877 -6.322 1.00 4.65 C ATOM 4 O HIS A 1 13.353 6.676 -6.565 1.00 4.65 O ATOM 5 CB HIS A 1 14.643 9.748 -7.349 1.00 6.87 C ATOM 6 CG HIS A 1 15.496 9.710 -8.594 1.00 8.12 C ATOM 7 ND1 HIS A 1 15.823 8.532 -9.243 1.00 8.92 N ATOM 8 CD2 HIS A 1 16.086 10.716 -9.301 1.00 9.19 C ATOM 9 CE1 HIS A 1 16.575 8.828 -10.293 1.00 10.28 C ATOM 10 NE2 HIS A 1 16.738 10.181 -10.327 1.00 10.38 N ATOM 0 H1 HIS A 1 11.828 9.853 -8.416 1.00 7.28 H new ATOM 0 H2 HIS A 1 11.455 9.341 -6.841 1.00 7.28 H new ATOM 0 H3 HIS A 1 12.441 10.703 -7.080 1.00 7.28 H new ATOM 0 HA HIS A 1 13.427 8.366 -8.385 1.00 6.28 H new ATOM 0 HB2 HIS A 1 14.372 10.782 -7.138 1.00 6.87 H new ATOM 0 HB3 HIS A 1 15.235 9.396 -6.504 1.00 6.87 H new ATOM 0 HD2 HIS A 1 16.032 11.769 -9.066 1.00 9.19 H new ATOM 0 HE1 HIS A 1 16.987 8.121 -10.998 1.00 10.28 H new ATOM 0 HE2 HIS A 1 17.273 10.697 -11.025 1.00 10.38 H new ATOM 20 N PRO A 2 13.030 8.395 -5.084 1.00 4.03 N ATOM 21 CA PRO A 2 12.899 7.531 -3.923 1.00 3.16 C ATOM 22 C PRO A 2 11.537 6.835 -3.909 1.00 2.56 C ATOM 23 O PRO A 2 10.794 6.935 -2.935 1.00 2.66 O ATOM 24 CB PRO A 2 13.110 8.445 -2.726 1.00 4.20 C ATOM 25 CG PRO A 2 12.890 9.860 -3.238 1.00 5.26 C ATOM 26 CD PRO A 2 12.902 9.813 -4.756 1.00 5.18 C ATOM 0 HA PRO A 2 13.625 6.718 -3.920 1.00 3.16 H new ATOM 0 HB2 PRO A 2 12.411 8.207 -1.924 1.00 4.20 H new ATOM 0 HB3 PRO A 2 14.114 8.329 -2.318 1.00 4.20 H new ATOM 0 HG2 PRO A 2 11.940 10.254 -2.876 1.00 5.26 H new ATOM 0 HG3 PRO A 2 13.672 10.525 -2.870 1.00 5.26 H new ATOM 0 HD2 PRO A 2 11.987 10.234 -5.172 1.00 5.18 H new ATOM 0 HD3 PRO A 2 13.732 10.390 -5.163 1.00 5.18 H new ATOM 34 N LYS A 3 11.252 6.143 -5.002 1.00 2.12 N ATOM 35 CA LYS A 3 9.993 5.429 -5.129 1.00 1.66 C ATOM 36 C LYS A 3 10.202 4.185 -5.996 1.00 1.17 C ATOM 37 O LYS A 3 11.060 4.174 -6.877 1.00 1.35 O ATOM 38 CB LYS A 3 8.898 6.361 -5.648 1.00 2.04 C ATOM 39 CG LYS A 3 7.940 6.762 -4.524 1.00 2.83 C ATOM 40 CD LYS A 3 6.540 7.049 -5.071 1.00 3.69 C ATOM 41 CE LYS A 3 6.204 8.537 -4.962 1.00 4.24 C ATOM 42 NZ LYS A 3 6.686 9.266 -6.157 1.00 4.17 N ATOM 0 H LYS A 3 11.872 6.062 -5.808 1.00 2.12 H new ATOM 0 HA LYS A 3 9.651 5.085 -4.153 1.00 1.66 H new ATOM 0 HB2 LYS A 3 9.350 7.253 -6.081 1.00 2.04 H new ATOM 0 HB3 LYS A 3 8.342 5.867 -6.445 1.00 2.04 H new ATOM 0 HG2 LYS A 3 7.888 5.964 -3.784 1.00 2.83 H new ATOM 0 HG3 LYS A 3 8.323 7.646 -4.013 1.00 2.83 H new ATOM 0 HD2 LYS A 3 6.481 6.735 -6.113 1.00 3.69 H new ATOM 0 HD3 LYS A 3 5.803 6.465 -4.520 1.00 3.69 H new ATOM 0 HE2 LYS A 3 5.126 8.666 -4.860 1.00 4.24 H new ATOM 0 HE3 LYS A 3 6.661 8.954 -4.065 1.00 4.24 H new ATOM 0 HZ1 LYS A 3 6.450 10.275 -6.067 1.00 4.17 H new ATOM 0 HZ2 LYS A 3 7.717 9.158 -6.237 1.00 4.17 H new ATOM 0 HZ3 LYS A 3 6.230 8.878 -7.008 1.00 4.17 H new ATOM 56 N LEU A 4 9.402 3.166 -5.714 1.00 0.79 N ATOM 57 CA LEU A 4 9.488 1.920 -6.457 1.00 0.65 C ATOM 58 C LEU A 4 9.347 2.211 -7.953 1.00 0.58 C ATOM 59 O LEU A 4 9.075 3.345 -8.344 1.00 0.59 O ATOM 60 CB LEU A 4 8.467 0.910 -5.929 1.00 0.94 C ATOM 61 CG LEU A 4 7.002 1.208 -6.248 1.00 0.51 C ATOM 62 CD1 LEU A 4 6.738 2.715 -6.254 1.00 0.68 C ATOM 63 CD2 LEU A 4 6.581 0.546 -7.562 1.00 0.60 C ATOM 0 H LEU A 4 8.692 3.178 -4.982 1.00 0.79 H new ATOM 0 HA LEU A 4 10.465 1.458 -6.313 1.00 0.65 H new ATOM 0 HB2 LEU A 4 8.714 -0.071 -6.334 1.00 0.94 H new ATOM 0 HB3 LEU A 4 8.576 0.845 -4.846 1.00 0.94 H new ATOM 0 HG LEU A 4 6.386 0.777 -5.459 1.00 0.51 H new ATOM 0 HD11 LEU A 4 5.689 2.900 -6.484 1.00 0.68 H new ATOM 0 HD12 LEU A 4 6.973 3.130 -5.274 1.00 0.68 H new ATOM 0 HD13 LEU A 4 7.364 3.191 -7.009 1.00 0.68 H new ATOM 0 HD21 LEU A 4 5.535 0.774 -7.765 1.00 0.60 H new ATOM 0 HD22 LEU A 4 7.200 0.926 -8.375 1.00 0.60 H new ATOM 0 HD23 LEU A 4 6.708 -0.534 -7.483 1.00 0.60 H new ATOM 75 N VAL A 5 9.540 1.169 -8.747 1.00 0.59 N ATOM 76 CA VAL A 5 9.438 1.298 -10.190 1.00 0.59 C ATOM 77 C VAL A 5 8.043 1.811 -10.554 1.00 0.51 C ATOM 78 O VAL A 5 7.867 2.994 -10.838 1.00 0.53 O ATOM 79 CB VAL A 5 9.780 -0.034 -10.861 1.00 0.66 C ATOM 80 CG1 VAL A 5 9.425 -0.005 -12.349 1.00 0.78 C ATOM 81 CG2 VAL A 5 11.253 -0.388 -10.656 1.00 0.82 C ATOM 0 H VAL A 5 9.767 0.231 -8.418 1.00 0.59 H new ATOM 0 HA VAL A 5 10.159 2.027 -10.560 1.00 0.59 H new ATOM 0 HB VAL A 5 9.180 -0.811 -10.388 1.00 0.66 H new ATOM 0 HG11 VAL A 5 9.678 -0.964 -12.802 1.00 0.78 H new ATOM 0 HG12 VAL A 5 8.357 0.181 -12.465 1.00 0.78 H new ATOM 0 HG13 VAL A 5 9.987 0.789 -12.842 1.00 0.78 H new ATOM 0 HG21 VAL A 5 11.470 -1.339 -11.143 1.00 0.82 H new ATOM 0 HG22 VAL A 5 11.878 0.392 -11.089 1.00 0.82 H new ATOM 0 HG23 VAL A 5 11.462 -0.470 -9.589 1.00 0.82 H new ATOM 91 N SER A 6 7.087 0.893 -10.535 1.00 0.47 N ATOM 92 CA SER A 6 5.713 1.237 -10.859 1.00 0.43 C ATOM 93 C SER A 6 4.751 0.421 -9.994 1.00 0.39 C ATOM 94 O SER A 6 5.076 -0.690 -9.577 1.00 0.40 O ATOM 95 CB SER A 6 5.422 1.002 -12.343 1.00 0.50 C ATOM 96 OG SER A 6 6.537 1.337 -13.165 1.00 0.64 O ATOM 0 H SER A 6 7.237 -0.088 -10.300 1.00 0.47 H new ATOM 0 HA SER A 6 5.568 2.297 -10.651 1.00 0.43 H new ATOM 0 HB2 SER A 6 5.157 -0.044 -12.499 1.00 0.50 H new ATOM 0 HB3 SER A 6 4.559 1.597 -12.642 1.00 0.50 H new ATOM 0 HG SER A 6 6.312 1.172 -14.104 1.00 0.64 H new ATOM 102 N SER A 7 3.585 1.002 -9.751 1.00 0.36 N ATOM 103 CA SER A 7 2.574 0.343 -8.943 1.00 0.34 C ATOM 104 C SER A 7 1.189 0.898 -9.283 1.00 0.34 C ATOM 105 O SER A 7 1.075 1.944 -9.921 1.00 0.36 O ATOM 106 CB SER A 7 2.862 0.514 -7.451 1.00 0.33 C ATOM 107 OG SER A 7 2.976 1.886 -7.083 1.00 0.35 O ATOM 0 H SER A 7 3.318 1.923 -10.100 1.00 0.36 H new ATOM 0 HA SER A 7 2.598 -0.723 -9.169 1.00 0.34 H new ATOM 0 HB2 SER A 7 2.064 0.049 -6.872 1.00 0.33 H new ATOM 0 HB3 SER A 7 3.785 -0.007 -7.198 1.00 0.33 H new ATOM 0 HG SER A 7 3.158 1.953 -6.122 1.00 0.35 H new ATOM 113 N THR A 8 0.171 0.173 -8.842 1.00 0.35 N ATOM 114 CA THR A 8 -1.201 0.581 -9.090 1.00 0.37 C ATOM 115 C THR A 8 -2.059 0.354 -7.844 1.00 0.35 C ATOM 116 O THR A 8 -3.027 -0.403 -7.881 1.00 0.36 O ATOM 117 CB THR A 8 -1.703 -0.179 -10.320 1.00 0.42 C ATOM 118 OG1 THR A 8 -0.623 -0.097 -11.244 1.00 0.51 O ATOM 119 CG2 THR A 8 -2.854 0.543 -11.025 1.00 0.73 C ATOM 0 H THR A 8 0.269 -0.694 -8.314 1.00 0.35 H new ATOM 0 HA THR A 8 -1.265 1.649 -9.299 1.00 0.37 H new ATOM 0 HB THR A 8 -2.028 -1.176 -10.023 1.00 0.42 H new ATOM 0 HG1 THR A 8 -0.863 -0.566 -12.070 1.00 0.51 H new ATOM 0 HG21 THR A 8 -3.172 -0.038 -11.890 1.00 0.73 H new ATOM 0 HG22 THR A 8 -3.690 0.655 -10.335 1.00 0.73 H new ATOM 0 HG23 THR A 8 -2.520 1.528 -11.352 1.00 0.73 H new ATOM 127 N PRO A 9 -1.663 1.044 -6.741 1.00 0.34 N ATOM 128 CA PRO A 9 -2.384 0.927 -5.486 1.00 0.34 C ATOM 129 C PRO A 9 -3.704 1.699 -5.537 1.00 0.36 C ATOM 130 O PRO A 9 -4.770 1.105 -5.689 1.00 0.41 O ATOM 131 CB PRO A 9 -1.427 1.456 -4.431 1.00 0.35 C ATOM 132 CG PRO A 9 -0.391 2.277 -5.181 1.00 0.36 C ATOM 133 CD PRO A 9 -0.522 1.952 -6.660 1.00 0.36 C ATOM 0 HA PRO A 9 -2.674 -0.100 -5.262 1.00 0.34 H new ATOM 0 HB2 PRO A 9 -1.953 2.067 -3.698 1.00 0.35 H new ATOM 0 HB3 PRO A 9 -0.957 0.638 -3.885 1.00 0.35 H new ATOM 0 HG2 PRO A 9 -0.549 3.342 -5.008 1.00 0.36 H new ATOM 0 HG3 PRO A 9 0.612 2.042 -4.826 1.00 0.36 H new ATOM 0 HD2 PRO A 9 -0.690 2.853 -7.250 1.00 0.36 H new ATOM 0 HD3 PRO A 9 0.384 1.484 -7.044 1.00 0.36 H new ATOM 141 N ALA A 10 -3.589 3.013 -5.408 1.00 0.45 N ATOM 142 CA ALA A 10 -4.760 3.873 -5.438 1.00 0.49 C ATOM 143 C ALA A 10 -4.312 5.336 -5.459 1.00 0.44 C ATOM 144 O ALA A 10 -4.824 6.156 -4.699 1.00 0.44 O ATOM 145 CB ALA A 10 -5.658 3.555 -4.240 1.00 0.56 C ATOM 0 H ALA A 10 -2.703 3.503 -5.283 1.00 0.45 H new ATOM 0 HA ALA A 10 -5.345 3.694 -6.340 1.00 0.49 H new ATOM 0 HB1 ALA A 10 -6.536 4.200 -4.262 1.00 0.56 H new ATOM 0 HB2 ALA A 10 -5.972 2.512 -4.287 1.00 0.56 H new ATOM 0 HB3 ALA A 10 -5.106 3.726 -3.316 1.00 0.56 H new ATOM 151 N GLU A 11 -3.362 5.618 -6.339 1.00 0.46 N ATOM 152 CA GLU A 11 -2.840 6.968 -6.469 1.00 0.50 C ATOM 153 C GLU A 11 -3.985 7.982 -6.467 1.00 0.53 C ATOM 154 O GLU A 11 -4.683 8.137 -7.467 1.00 0.61 O ATOM 155 CB GLU A 11 -1.987 7.106 -7.731 1.00 0.64 C ATOM 156 CG GLU A 11 -0.516 7.339 -7.377 1.00 0.73 C ATOM 157 CD GLU A 11 0.406 6.583 -8.335 1.00 1.11 C ATOM 158 OE1 GLU A 11 0.521 5.320 -8.097 1.00 2.25 O ATOM 159 OE2 GLU A 11 0.975 7.187 -9.255 1.00 1.92 O ATOM 0 H GLU A 11 -2.941 4.935 -6.968 1.00 0.46 H new ATOM 0 HA GLU A 11 -2.198 7.173 -5.612 1.00 0.50 H new ATOM 0 HB2 GLU A 11 -2.080 6.205 -8.337 1.00 0.64 H new ATOM 0 HB3 GLU A 11 -2.355 7.936 -8.334 1.00 0.64 H new ATOM 0 HG2 GLU A 11 -0.293 8.405 -7.418 1.00 0.73 H new ATOM 0 HG3 GLU A 11 -0.329 7.013 -6.354 1.00 0.73 H new ATOM 166 N GLY A 12 -4.143 8.647 -5.332 1.00 0.49 N ATOM 167 CA GLY A 12 -5.191 9.643 -5.186 1.00 0.53 C ATOM 168 C GLY A 12 -6.468 9.203 -5.905 1.00 0.59 C ATOM 169 O GLY A 12 -7.175 10.026 -6.484 1.00 0.78 O ATOM 0 H GLY A 12 -3.562 8.515 -4.504 1.00 0.49 H new ATOM 0 HA2 GLY A 12 -5.401 9.803 -4.128 1.00 0.53 H new ATOM 0 HA3 GLY A 12 -4.851 10.596 -5.591 1.00 0.53 H new ATOM 173 N SER A 13 -6.726 7.904 -5.842 1.00 0.51 N ATOM 174 CA SER A 13 -7.906 7.344 -6.480 1.00 0.59 C ATOM 175 C SER A 13 -9.163 7.772 -5.719 1.00 0.51 C ATOM 176 O SER A 13 -9.531 7.151 -4.723 1.00 0.54 O ATOM 177 CB SER A 13 -7.821 5.818 -6.552 1.00 0.77 C ATOM 178 OG SER A 13 -7.295 5.371 -7.798 1.00 1.15 O ATOM 0 H SER A 13 -6.139 7.224 -5.359 1.00 0.51 H new ATOM 0 HA SER A 13 -7.959 7.725 -7.500 1.00 0.59 H new ATOM 0 HB2 SER A 13 -7.192 5.451 -5.741 1.00 0.77 H new ATOM 0 HB3 SER A 13 -8.813 5.392 -6.404 1.00 0.77 H new ATOM 0 HG SER A 13 -7.255 4.392 -7.804 1.00 1.15 H new ATOM 184 N GLU A 14 -9.788 8.827 -6.219 1.00 0.52 N ATOM 185 CA GLU A 14 -10.997 9.345 -5.599 1.00 0.60 C ATOM 186 C GLU A 14 -12.227 8.933 -6.410 1.00 0.74 C ATOM 187 O GLU A 14 -12.324 9.242 -7.596 1.00 0.85 O ATOM 188 CB GLU A 14 -10.926 10.865 -5.443 1.00 0.75 C ATOM 189 CG GLU A 14 -9.602 11.289 -4.803 1.00 0.77 C ATOM 190 CD GLU A 14 -9.272 12.745 -5.141 1.00 1.02 C ATOM 191 OE1 GLU A 14 -10.123 13.629 -4.972 1.00 1.36 O ATOM 192 OE2 GLU A 14 -8.080 12.941 -5.595 1.00 1.74 O ATOM 0 H GLU A 14 -9.481 9.338 -7.047 1.00 0.52 H new ATOM 0 HA GLU A 14 -11.083 8.915 -4.601 1.00 0.60 H new ATOM 0 HB2 GLU A 14 -11.031 11.340 -6.419 1.00 0.75 H new ATOM 0 HB3 GLU A 14 -11.758 11.211 -4.829 1.00 0.75 H new ATOM 0 HG2 GLU A 14 -9.661 11.167 -3.721 1.00 0.77 H new ATOM 0 HG3 GLU A 14 -8.800 10.640 -5.154 1.00 0.77 H new ATOM 199 N GLY A 15 -13.135 8.241 -5.737 1.00 0.77 N ATOM 200 CA GLY A 15 -14.355 7.785 -6.381 1.00 0.97 C ATOM 201 C GLY A 15 -14.832 6.463 -5.776 1.00 0.63 C ATOM 202 O GLY A 15 -15.987 6.341 -5.372 1.00 0.53 O ATOM 0 H GLY A 15 -13.050 7.985 -4.753 1.00 0.77 H new ATOM 0 HA2 GLY A 15 -15.133 8.541 -6.272 1.00 0.97 H new ATOM 0 HA3 GLY A 15 -14.181 7.659 -7.450 1.00 0.97 H new ATOM 206 N ALA A 16 -13.918 5.505 -5.732 1.00 0.81 N ATOM 207 CA ALA A 16 -14.231 4.196 -5.183 1.00 0.88 C ATOM 208 C ALA A 16 -12.932 3.418 -4.960 1.00 1.27 C ATOM 209 O ALA A 16 -11.893 3.764 -5.518 1.00 1.89 O ATOM 210 CB ALA A 16 -15.193 3.465 -6.121 1.00 1.10 C ATOM 0 H ALA A 16 -12.960 5.609 -6.068 1.00 0.81 H new ATOM 0 HA ALA A 16 -14.728 4.294 -4.218 1.00 0.88 H new ATOM 0 HB1 ALA A 16 -15.427 2.483 -5.709 1.00 1.10 H new ATOM 0 HB2 ALA A 16 -16.111 4.044 -6.224 1.00 1.10 H new ATOM 0 HB3 ALA A 16 -14.727 3.346 -7.099 1.00 1.10 H new ATOM 216 N ALA A 17 -13.035 2.382 -4.139 1.00 1.04 N ATOM 217 CA ALA A 17 -11.881 1.552 -3.835 1.00 1.37 C ATOM 218 C ALA A 17 -11.576 0.651 -5.033 1.00 1.26 C ATOM 219 O ALA A 17 -12.489 0.133 -5.673 1.00 1.21 O ATOM 220 CB ALA A 17 -12.150 0.754 -2.558 1.00 1.65 C ATOM 0 H ALA A 17 -13.899 2.099 -3.676 1.00 1.04 H new ATOM 0 HA ALA A 17 -11.001 2.169 -3.655 1.00 1.37 H new ATOM 0 HB1 ALA A 17 -11.285 0.131 -2.329 1.00 1.65 H new ATOM 0 HB2 ALA A 17 -12.332 1.441 -1.731 1.00 1.65 H new ATOM 0 HB3 ALA A 17 -13.025 0.121 -2.702 1.00 1.65 H new ATOM 226 N PRO A 18 -10.254 0.487 -5.306 1.00 1.28 N ATOM 227 CA PRO A 18 -9.816 -0.343 -6.416 1.00 1.25 C ATOM 228 C PRO A 18 -9.968 -1.829 -6.082 1.00 1.23 C ATOM 229 O PRO A 18 -9.668 -2.688 -6.910 1.00 3.16 O ATOM 230 CB PRO A 18 -8.375 0.065 -6.668 1.00 1.35 C ATOM 231 CG PRO A 18 -7.913 0.770 -5.403 1.00 1.43 C ATOM 232 CD PRO A 18 -9.144 1.085 -4.568 1.00 1.40 C ATOM 0 HA PRO A 18 -10.419 -0.199 -7.313 1.00 1.25 H new ATOM 0 HB2 PRO A 18 -7.754 -0.806 -6.879 1.00 1.35 H new ATOM 0 HB3 PRO A 18 -8.302 0.725 -7.532 1.00 1.35 H new ATOM 0 HG2 PRO A 18 -7.224 0.137 -4.843 1.00 1.43 H new ATOM 0 HG3 PRO A 18 -7.376 1.685 -5.651 1.00 1.43 H new ATOM 0 HD2 PRO A 18 -9.062 0.664 -3.566 1.00 1.40 H new ATOM 0 HD3 PRO A 18 -9.279 2.160 -4.451 1.00 1.40 H new ATOM 240 N ALA A 19 -10.432 -2.086 -4.868 1.00 1.52 N ATOM 241 CA ALA A 19 -10.627 -3.452 -4.416 1.00 1.73 C ATOM 242 C ALA A 19 -9.305 -3.997 -3.869 1.00 1.43 C ATOM 243 O ALA A 19 -9.269 -4.572 -2.782 1.00 1.43 O ATOM 244 CB ALA A 19 -11.174 -4.298 -5.566 1.00 1.99 C ATOM 0 H ALA A 19 -10.678 -1.371 -4.184 1.00 1.52 H new ATOM 0 HA ALA A 19 -11.359 -3.488 -3.609 1.00 1.73 H new ATOM 0 HB1 ALA A 19 -11.320 -5.323 -5.226 1.00 1.99 H new ATOM 0 HB2 ALA A 19 -12.127 -3.887 -5.899 1.00 1.99 H new ATOM 0 HB3 ALA A 19 -10.465 -4.288 -6.394 1.00 1.99 H new ATOM 250 N LYS A 20 -8.252 -3.797 -4.648 1.00 1.22 N ATOM 251 CA LYS A 20 -6.933 -4.261 -4.255 1.00 0.94 C ATOM 252 C LYS A 20 -5.879 -3.277 -4.767 1.00 0.93 C ATOM 253 O LYS A 20 -6.172 -2.428 -5.607 1.00 1.36 O ATOM 254 CB LYS A 20 -6.709 -5.700 -4.725 1.00 0.89 C ATOM 255 CG LYS A 20 -6.639 -5.774 -6.251 1.00 1.09 C ATOM 256 CD LYS A 20 -7.925 -6.368 -6.832 1.00 2.23 C ATOM 257 CE LYS A 20 -8.395 -5.573 -8.051 1.00 3.27 C ATOM 258 NZ LYS A 20 -8.968 -6.480 -9.071 1.00 3.65 N ATOM 0 H LYS A 20 -8.286 -3.320 -5.549 1.00 1.22 H new ATOM 0 HA LYS A 20 -6.846 -4.287 -3.169 1.00 0.94 H new ATOM 0 HB2 LYS A 20 -5.785 -6.087 -4.296 1.00 0.89 H new ATOM 0 HB3 LYS A 20 -7.518 -6.335 -4.363 1.00 0.89 H new ATOM 0 HG2 LYS A 20 -6.478 -4.776 -6.660 1.00 1.09 H new ATOM 0 HG3 LYS A 20 -5.786 -6.383 -6.550 1.00 1.09 H new ATOM 0 HD2 LYS A 20 -7.754 -7.407 -7.115 1.00 2.23 H new ATOM 0 HD3 LYS A 20 -8.705 -6.369 -6.071 1.00 2.23 H new ATOM 0 HE2 LYS A 20 -9.141 -4.839 -7.748 1.00 3.27 H new ATOM 0 HE3 LYS A 20 -7.558 -5.020 -8.477 1.00 3.27 H new ATOM 0 HZ1 LYS A 20 -9.282 -5.925 -9.892 1.00 3.65 H new ATOM 0 HZ2 LYS A 20 -8.245 -7.165 -9.372 1.00 3.65 H new ATOM 0 HZ3 LYS A 20 -9.780 -6.989 -8.666 1.00 3.65 H new ATOM 272 N ILE A 21 -4.673 -3.423 -4.237 1.00 0.50 N ATOM 273 CA ILE A 21 -3.574 -2.558 -4.628 1.00 0.46 C ATOM 274 C ILE A 21 -2.573 -3.358 -5.466 1.00 0.45 C ATOM 275 O ILE A 21 -2.394 -4.556 -5.248 1.00 0.45 O ATOM 276 CB ILE A 21 -2.952 -1.892 -3.399 1.00 0.43 C ATOM 277 CG1 ILE A 21 -3.655 -0.572 -3.077 1.00 0.46 C ATOM 278 CG2 ILE A 21 -1.443 -1.708 -3.579 1.00 0.40 C ATOM 279 CD1 ILE A 21 -4.420 -0.666 -1.755 1.00 0.52 C ATOM 0 H ILE A 21 -4.433 -4.128 -3.540 1.00 0.50 H new ATOM 0 HA ILE A 21 -3.936 -1.743 -5.255 1.00 0.46 H new ATOM 0 HB ILE A 21 -3.096 -2.552 -2.543 1.00 0.43 H new ATOM 0 HG12 ILE A 21 -2.920 0.231 -3.020 1.00 0.46 H new ATOM 0 HG13 ILE A 21 -4.344 -0.317 -3.882 1.00 0.46 H new ATOM 0 HG21 ILE A 21 -1.026 -1.233 -2.691 1.00 0.40 H new ATOM 0 HG22 ILE A 21 -0.973 -2.680 -3.725 1.00 0.40 H new ATOM 0 HG23 ILE A 21 -1.254 -1.080 -4.450 1.00 0.40 H new ATOM 0 HD11 ILE A 21 -4.910 0.286 -1.550 1.00 0.52 H new ATOM 0 HD12 ILE A 21 -5.170 -1.453 -1.824 1.00 0.52 H new ATOM 0 HD13 ILE A 21 -3.725 -0.897 -0.948 1.00 0.52 H new ATOM 291 N GLU A 22 -1.948 -2.664 -6.405 1.00 0.47 N ATOM 292 CA GLU A 22 -0.970 -3.295 -7.276 1.00 0.48 C ATOM 293 C GLU A 22 0.408 -2.662 -7.074 1.00 0.43 C ATOM 294 O GLU A 22 0.511 -1.474 -6.774 1.00 0.40 O ATOM 295 CB GLU A 22 -1.404 -3.208 -8.740 1.00 0.56 C ATOM 296 CG GLU A 22 -1.408 -4.592 -9.394 1.00 0.61 C ATOM 297 CD GLU A 22 -0.140 -4.812 -10.220 1.00 1.20 C ATOM 298 OE1 GLU A 22 0.188 -3.984 -11.083 1.00 1.71 O ATOM 299 OE2 GLU A 22 0.515 -5.887 -9.940 1.00 2.42 O ATOM 0 H GLU A 22 -2.099 -1.671 -6.582 1.00 0.47 H new ATOM 0 HA GLU A 22 -0.905 -4.351 -7.012 1.00 0.48 H new ATOM 0 HB2 GLU A 22 -2.400 -2.769 -8.802 1.00 0.56 H new ATOM 0 HB3 GLU A 22 -0.730 -2.547 -9.284 1.00 0.56 H new ATOM 0 HG2 GLU A 22 -1.483 -5.361 -8.625 1.00 0.61 H new ATOM 0 HG3 GLU A 22 -2.285 -4.693 -10.033 1.00 0.61 H new ATOM 306 N LEU A 23 1.432 -3.484 -7.246 1.00 0.44 N ATOM 307 CA LEU A 23 2.800 -3.019 -7.086 1.00 0.42 C ATOM 308 C LEU A 23 3.713 -3.796 -8.037 1.00 0.46 C ATOM 309 O LEU A 23 3.494 -4.981 -8.281 1.00 0.51 O ATOM 310 CB LEU A 23 3.226 -3.103 -5.618 1.00 0.42 C ATOM 311 CG LEU A 23 2.319 -2.388 -4.614 1.00 0.40 C ATOM 312 CD1 LEU A 23 2.503 -2.959 -3.208 1.00 0.44 C ATOM 313 CD2 LEU A 23 2.543 -0.875 -4.654 1.00 0.41 C ATOM 0 H LEU A 23 1.343 -4.469 -7.495 1.00 0.44 H new ATOM 0 HA LEU A 23 2.879 -1.966 -7.357 1.00 0.42 H new ATOM 0 HB2 LEU A 23 3.287 -4.155 -5.338 1.00 0.42 H new ATOM 0 HB3 LEU A 23 4.231 -2.690 -5.528 1.00 0.42 H new ATOM 0 HG LEU A 23 1.283 -2.567 -4.900 1.00 0.40 H new ATOM 0 HD11 LEU A 23 1.847 -2.434 -2.513 1.00 0.44 H new ATOM 0 HD12 LEU A 23 2.254 -4.020 -3.211 1.00 0.44 H new ATOM 0 HD13 LEU A 23 3.539 -2.831 -2.896 1.00 0.44 H new ATOM 0 HD21 LEU A 23 1.886 -0.391 -3.931 1.00 0.41 H new ATOM 0 HD22 LEU A 23 3.581 -0.654 -4.406 1.00 0.41 H new ATOM 0 HD23 LEU A 23 2.321 -0.501 -5.653 1.00 0.41 H new ATOM 325 N HIS A 24 4.715 -3.097 -8.547 1.00 0.46 N ATOM 326 CA HIS A 24 5.662 -3.706 -9.466 1.00 0.52 C ATOM 327 C HIS A 24 7.081 -3.258 -9.111 1.00 0.52 C ATOM 328 O HIS A 24 7.272 -2.196 -8.521 1.00 0.49 O ATOM 329 CB HIS A 24 5.287 -3.396 -10.916 1.00 0.54 C ATOM 330 CG HIS A 24 4.186 -4.271 -11.466 1.00 0.59 C ATOM 331 ND1 HIS A 24 4.427 -5.505 -12.045 1.00 0.67 N ATOM 332 CD2 HIS A 24 2.837 -4.078 -11.520 1.00 0.62 C ATOM 333 CE1 HIS A 24 3.268 -6.022 -12.426 1.00 0.70 C ATOM 334 NE2 HIS A 24 2.284 -5.136 -12.100 1.00 0.67 N ATOM 0 H HIS A 24 4.892 -2.114 -8.342 1.00 0.46 H new ATOM 0 HA HIS A 24 5.625 -4.791 -9.367 1.00 0.52 H new ATOM 0 HB2 HIS A 24 4.977 -2.353 -10.985 1.00 0.54 H new ATOM 0 HB3 HIS A 24 6.173 -3.508 -11.541 1.00 0.54 H new ATOM 0 HD2 HIS A 24 2.308 -3.211 -11.153 1.00 0.62 H new ATOM 0 HE1 HIS A 24 3.127 -6.977 -12.910 1.00 0.70 H new ATOM 0 HE2 HIS A 24 1.287 -5.265 -12.273 1.00 0.67 H new ATOM 342 N PHE A 25 8.040 -4.091 -9.487 1.00 0.62 N ATOM 343 CA PHE A 25 9.437 -3.795 -9.216 1.00 0.66 C ATOM 344 C PHE A 25 10.352 -4.502 -10.218 1.00 0.76 C ATOM 345 O PHE A 25 9.921 -5.415 -10.921 1.00 1.56 O ATOM 346 CB PHE A 25 9.741 -4.317 -7.810 1.00 0.69 C ATOM 347 CG PHE A 25 9.282 -3.385 -6.688 1.00 0.67 C ATOM 348 CD1 PHE A 25 7.973 -3.360 -6.316 1.00 1.93 C ATOM 349 CD2 PHE A 25 10.181 -2.579 -6.062 1.00 1.77 C ATOM 350 CE1 PHE A 25 7.547 -2.495 -5.275 1.00 1.90 C ATOM 351 CE2 PHE A 25 9.755 -1.714 -5.020 1.00 1.99 C ATOM 352 CZ PHE A 25 8.447 -1.690 -4.648 1.00 1.09 C ATOM 0 H PHE A 25 7.878 -4.971 -9.977 1.00 0.62 H new ATOM 0 HA PHE A 25 9.612 -2.722 -9.299 1.00 0.66 H new ATOM 0 HB2 PHE A 25 9.261 -5.287 -7.682 1.00 0.69 H new ATOM 0 HB3 PHE A 25 10.815 -4.478 -7.718 1.00 0.69 H new ATOM 0 HD1 PHE A 25 7.258 -3.999 -6.813 1.00 1.93 H new ATOM 0 HD2 PHE A 25 11.220 -2.597 -6.358 1.00 1.77 H new ATOM 0 HE1 PHE A 25 6.508 -2.476 -4.980 1.00 1.90 H new ATOM 0 HE2 PHE A 25 10.470 -1.075 -4.523 1.00 1.99 H new ATOM 0 HZ PHE A 25 8.123 -1.032 -3.855 1.00 1.09 H new ATOM 362 N SER A 26 11.599 -4.053 -10.252 1.00 0.88 N ATOM 363 CA SER A 26 12.578 -4.631 -11.157 1.00 1.03 C ATOM 364 C SER A 26 13.616 -5.427 -10.364 1.00 1.27 C ATOM 365 O SER A 26 14.343 -6.243 -10.930 1.00 1.50 O ATOM 366 CB SER A 26 13.263 -3.548 -11.991 1.00 1.33 C ATOM 367 OG SER A 26 14.232 -2.826 -11.237 1.00 3.33 O ATOM 0 H SER A 26 11.953 -3.296 -9.667 1.00 0.88 H new ATOM 0 HA SER A 26 12.059 -5.303 -11.840 1.00 1.03 H new ATOM 0 HB2 SER A 26 13.744 -4.006 -12.855 1.00 1.33 H new ATOM 0 HB3 SER A 26 12.513 -2.856 -12.374 1.00 1.33 H new ATOM 0 HG SER A 26 14.648 -2.145 -11.806 1.00 3.33 H new ATOM 373 N GLU A 27 13.653 -5.164 -9.067 1.00 1.31 N ATOM 374 CA GLU A 27 14.590 -5.847 -8.190 1.00 1.70 C ATOM 375 C GLU A 27 14.056 -5.869 -6.757 1.00 1.61 C ATOM 376 O GLU A 27 14.831 -5.842 -5.801 1.00 2.31 O ATOM 377 CB GLU A 27 15.972 -5.192 -8.251 1.00 2.04 C ATOM 378 CG GLU A 27 16.843 -5.851 -9.323 1.00 2.98 C ATOM 379 CD GLU A 27 18.284 -5.340 -9.248 1.00 3.50 C ATOM 380 OE1 GLU A 27 18.486 -4.158 -9.601 1.00 3.56 O ATOM 381 OE2 GLU A 27 19.150 -6.144 -8.840 1.00 4.68 O ATOM 0 H GLU A 27 13.049 -4.487 -8.601 1.00 1.31 H new ATOM 0 HA GLU A 27 14.696 -6.876 -8.532 1.00 1.70 H new ATOM 0 HB2 GLU A 27 15.866 -4.129 -8.467 1.00 2.04 H new ATOM 0 HB3 GLU A 27 16.460 -5.273 -7.280 1.00 2.04 H new ATOM 0 HG2 GLU A 27 16.830 -6.933 -9.193 1.00 2.98 H new ATOM 0 HG3 GLU A 27 16.430 -5.643 -10.310 1.00 2.98 H new ATOM 388 N ASN A 28 12.736 -5.917 -6.651 1.00 1.90 N ATOM 389 CA ASN A 28 12.090 -5.943 -5.350 1.00 2.47 C ATOM 390 C ASN A 28 12.879 -6.859 -4.412 1.00 1.82 C ATOM 391 O ASN A 28 13.655 -6.384 -3.584 1.00 2.27 O ATOM 392 CB ASN A 28 10.665 -6.487 -5.454 1.00 3.78 C ATOM 393 CG ASN A 28 10.126 -6.881 -4.077 1.00 4.14 C ATOM 394 OD1 ASN A 28 9.894 -8.183 -3.938 1.00 5.01 O flip ATOM 395 ND2 ASN A 28 9.934 -6.057 -3.198 1.00 3.63 N flip ATOM 0 H ASN A 28 12.096 -5.939 -7.445 1.00 1.90 H new ATOM 0 HA ASN A 28 12.059 -4.923 -4.968 1.00 2.47 H new ATOM 0 HB2 ASN A 28 10.016 -5.734 -5.900 1.00 3.78 H new ATOM 0 HB3 ASN A 28 10.650 -7.353 -6.116 1.00 3.78 H new ATOM 0 HD21 ASN A 28 10.133 -5.072 -3.370 1.00 3.63 H new ATOM 0 HD22 ASN A 28 9.574 -6.354 -2.291 1.00 3.63 H new ATOM 402 N LEU A 29 12.653 -8.154 -4.573 1.00 1.54 N ATOM 403 CA LEU A 29 13.332 -9.140 -3.751 1.00 2.33 C ATOM 404 C LEU A 29 13.418 -8.628 -2.313 1.00 2.09 C ATOM 405 O LEU A 29 14.457 -8.122 -1.890 1.00 3.03 O ATOM 406 CB LEU A 29 14.691 -9.499 -4.357 1.00 3.73 C ATOM 407 CG LEU A 29 15.688 -10.178 -3.416 1.00 5.23 C ATOM 408 CD1 LEU A 29 15.794 -11.674 -3.715 1.00 6.08 C ATOM 409 CD2 LEU A 29 17.051 -9.485 -3.468 1.00 6.07 C ATOM 0 H LEU A 29 12.009 -8.543 -5.261 1.00 1.54 H new ATOM 0 HA LEU A 29 12.764 -10.070 -3.726 1.00 2.33 H new ATOM 0 HB2 LEU A 29 14.523 -10.155 -5.211 1.00 3.73 H new ATOM 0 HB3 LEU A 29 15.148 -8.587 -4.741 1.00 3.73 H new ATOM 0 HG LEU A 29 15.316 -10.080 -2.396 1.00 5.23 H new ATOM 0 HD11 LEU A 29 16.509 -12.132 -3.032 1.00 6.08 H new ATOM 0 HD12 LEU A 29 14.818 -12.141 -3.585 1.00 6.08 H new ATOM 0 HD13 LEU A 29 16.131 -11.817 -4.742 1.00 6.08 H new ATOM 0 HD21 LEU A 29 17.741 -9.988 -2.790 1.00 6.07 H new ATOM 0 HD22 LEU A 29 17.444 -9.530 -4.484 1.00 6.07 H new ATOM 0 HD23 LEU A 29 16.941 -8.443 -3.167 1.00 6.07 H new ATOM 421 N VAL A 30 12.312 -8.774 -1.599 1.00 1.87 N ATOM 422 CA VAL A 30 12.248 -8.332 -0.216 1.00 2.33 C ATOM 423 C VAL A 30 13.362 -9.010 0.583 1.00 1.99 C ATOM 424 O VAL A 30 14.509 -8.566 0.558 1.00 2.88 O ATOM 425 CB VAL A 30 10.854 -8.599 0.356 1.00 3.68 C ATOM 426 CG1 VAL A 30 10.820 -8.340 1.863 1.00 3.87 C ATOM 427 CG2 VAL A 30 9.796 -7.765 -0.368 1.00 5.47 C ATOM 0 H VAL A 30 11.452 -9.193 -1.953 1.00 1.87 H new ATOM 0 HA VAL A 30 12.410 -7.256 -0.151 1.00 2.33 H new ATOM 0 HB VAL A 30 10.621 -9.651 0.193 1.00 3.68 H new ATOM 0 HG11 VAL A 30 9.818 -8.537 2.244 1.00 3.87 H new ATOM 0 HG12 VAL A 30 11.533 -8.997 2.361 1.00 3.87 H new ATOM 0 HG13 VAL A 30 11.085 -7.301 2.060 1.00 3.87 H new ATOM 0 HG21 VAL A 30 8.814 -7.973 0.058 1.00 5.47 H new ATOM 0 HG22 VAL A 30 10.025 -6.706 -0.251 1.00 5.47 H new ATOM 0 HG23 VAL A 30 9.794 -8.021 -1.428 1.00 5.47 H new ATOM 437 N THR A 31 12.986 -10.077 1.275 1.00 2.04 N ATOM 438 CA THR A 31 13.939 -10.821 2.080 1.00 3.04 C ATOM 439 C THR A 31 14.737 -9.872 2.975 1.00 3.12 C ATOM 440 O THR A 31 15.965 -9.926 3.007 1.00 4.34 O ATOM 441 CB THR A 31 14.815 -11.645 1.134 1.00 4.07 C ATOM 442 OG1 THR A 31 13.923 -12.055 0.102 1.00 4.54 O ATOM 443 CG2 THR A 31 15.284 -12.958 1.764 1.00 4.23 C ATOM 0 H THR A 31 12.034 -10.443 1.294 1.00 2.04 H new ATOM 0 HA THR A 31 13.433 -11.508 2.758 1.00 3.04 H new ATOM 0 HB THR A 31 15.682 -11.055 0.837 1.00 4.07 H new ATOM 0 HG1 THR A 31 14.410 -12.594 -0.556 1.00 4.54 H new ATOM 0 HG21 THR A 31 15.902 -13.504 1.051 1.00 4.23 H new ATOM 0 HG22 THR A 31 15.867 -12.744 2.660 1.00 4.23 H new ATOM 0 HG23 THR A 31 14.418 -13.563 2.031 1.00 4.23 H new ATOM 451 N GLN A 32 14.005 -9.022 3.683 1.00 2.32 N ATOM 452 CA GLN A 32 14.630 -8.062 4.577 1.00 2.53 C ATOM 453 C GLN A 32 13.600 -7.513 5.568 1.00 2.14 C ATOM 454 O GLN A 32 13.463 -8.031 6.675 1.00 2.64 O ATOM 455 CB GLN A 32 15.291 -6.929 3.789 1.00 2.88 C ATOM 456 CG GLN A 32 16.815 -7.019 3.874 1.00 3.79 C ATOM 457 CD GLN A 32 17.452 -6.860 2.492 1.00 5.04 C ATOM 458 OE1 GLN A 32 17.653 -5.763 1.995 1.00 6.19 O ATOM 459 NE2 GLN A 32 17.757 -8.012 1.900 1.00 5.32 N ATOM 0 H GLN A 32 12.986 -8.979 3.655 1.00 2.32 H new ATOM 0 HA GLN A 32 15.412 -8.573 5.140 1.00 2.53 H new ATOM 0 HB2 GLN A 32 14.978 -6.976 2.746 1.00 2.88 H new ATOM 0 HB3 GLN A 32 14.958 -5.967 4.179 1.00 2.88 H new ATOM 0 HG2 GLN A 32 17.192 -6.245 4.543 1.00 3.79 H new ATOM 0 HG3 GLN A 32 17.103 -7.979 4.303 1.00 3.79 H new ATOM 0 HE21 GLN A 32 17.562 -8.895 2.372 1.00 5.32 H new ATOM 0 HE22 GLN A 32 18.186 -8.012 0.975 1.00 5.32 H new ATOM 468 N PHE A 33 12.905 -6.472 5.134 1.00 1.85 N ATOM 469 CA PHE A 33 11.893 -5.848 5.969 1.00 1.76 C ATOM 470 C PHE A 33 10.905 -5.042 5.124 1.00 1.37 C ATOM 471 O PHE A 33 10.308 -4.082 5.607 1.00 1.64 O ATOM 472 CB PHE A 33 12.624 -4.899 6.922 1.00 2.44 C ATOM 473 CG PHE A 33 13.253 -5.593 8.131 1.00 2.91 C ATOM 474 CD1 PHE A 33 12.482 -6.351 8.957 1.00 3.68 C ATOM 475 CD2 PHE A 33 14.582 -5.453 8.381 1.00 3.47 C ATOM 476 CE1 PHE A 33 13.066 -6.996 10.080 1.00 4.12 C ATOM 477 CE2 PHE A 33 15.166 -6.097 9.503 1.00 3.86 C ATOM 478 CZ PHE A 33 14.395 -6.855 10.328 1.00 3.82 C ATOM 0 H PHE A 33 13.023 -6.045 4.215 1.00 1.85 H new ATOM 0 HA PHE A 33 11.331 -6.612 6.506 1.00 1.76 H new ATOM 0 HB2 PHE A 33 13.405 -4.376 6.369 1.00 2.44 H new ATOM 0 HB3 PHE A 33 11.922 -4.143 7.275 1.00 2.44 H new ATOM 0 HD1 PHE A 33 11.426 -6.462 8.759 1.00 3.68 H new ATOM 0 HD2 PHE A 33 15.194 -4.851 7.725 1.00 3.47 H new ATOM 0 HE1 PHE A 33 12.455 -7.598 10.736 1.00 4.12 H new ATOM 0 HE2 PHE A 33 16.222 -5.985 9.701 1.00 3.86 H new ATOM 0 HZ PHE A 33 14.839 -7.346 11.181 1.00 3.82 H new ATOM 488 N SER A 34 10.763 -5.463 3.875 1.00 1.08 N ATOM 489 CA SER A 34 9.858 -4.793 2.958 1.00 0.85 C ATOM 490 C SER A 34 8.436 -5.328 3.141 1.00 0.72 C ATOM 491 O SER A 34 8.242 -6.522 3.361 1.00 0.95 O ATOM 492 CB SER A 34 10.309 -4.974 1.507 1.00 0.97 C ATOM 493 OG SER A 34 9.281 -4.633 0.581 1.00 1.61 O ATOM 0 H SER A 34 11.260 -6.260 3.477 1.00 1.08 H new ATOM 0 HA SER A 34 9.871 -3.727 3.184 1.00 0.85 H new ATOM 0 HB2 SER A 34 11.186 -4.354 1.320 1.00 0.97 H new ATOM 0 HB3 SER A 34 10.611 -6.009 1.348 1.00 0.97 H new ATOM 0 HG SER A 34 8.762 -3.880 0.932 1.00 1.61 H new ATOM 499 N GLY A 35 7.478 -4.418 3.044 1.00 0.65 N ATOM 500 CA GLY A 35 6.080 -4.784 3.197 1.00 0.68 C ATOM 501 C GLY A 35 5.176 -3.555 3.079 1.00 0.62 C ATOM 502 O GLY A 35 5.661 -2.433 2.948 1.00 0.86 O ATOM 0 H GLY A 35 7.642 -3.428 2.861 1.00 0.65 H new ATOM 0 HA2 GLY A 35 5.806 -5.516 2.437 1.00 0.68 H new ATOM 0 HA3 GLY A 35 5.929 -5.260 4.166 1.00 0.68 H new ATOM 506 N ALA A 36 3.876 -3.809 3.129 1.00 0.55 N ATOM 507 CA ALA A 36 2.900 -2.738 3.030 1.00 0.53 C ATOM 508 C ALA A 36 1.801 -2.956 4.071 1.00 0.57 C ATOM 509 O ALA A 36 1.664 -4.052 4.614 1.00 0.66 O ATOM 510 CB ALA A 36 2.348 -2.680 1.604 1.00 0.65 C ATOM 0 H ALA A 36 3.477 -4.741 3.237 1.00 0.55 H new ATOM 0 HA ALA A 36 3.366 -1.775 3.239 1.00 0.53 H new ATOM 0 HB1 ALA A 36 1.616 -1.876 1.530 1.00 0.65 H new ATOM 0 HB2 ALA A 36 3.164 -2.493 0.905 1.00 0.65 H new ATOM 0 HB3 ALA A 36 1.871 -3.629 1.360 1.00 0.65 H new ATOM 516 N LYS A 37 1.047 -1.896 4.321 1.00 0.55 N ATOM 517 CA LYS A 37 -0.035 -1.959 5.289 1.00 0.66 C ATOM 518 C LYS A 37 -1.072 -0.883 4.958 1.00 0.65 C ATOM 519 O LYS A 37 -0.726 0.286 4.789 1.00 0.63 O ATOM 520 CB LYS A 37 0.514 -1.866 6.714 1.00 0.73 C ATOM 521 CG LYS A 37 0.372 -3.203 7.444 1.00 0.91 C ATOM 522 CD LYS A 37 0.872 -3.095 8.886 1.00 1.18 C ATOM 523 CE LYS A 37 0.925 -4.471 9.552 1.00 1.86 C ATOM 524 NZ LYS A 37 -0.214 -4.641 10.483 1.00 2.78 N ATOM 0 H LYS A 37 1.164 -0.989 3.870 1.00 0.55 H new ATOM 0 HA LYS A 37 -0.543 -2.922 5.231 1.00 0.66 H new ATOM 0 HB2 LYS A 37 1.563 -1.573 6.685 1.00 0.73 H new ATOM 0 HB3 LYS A 37 -0.019 -1.089 7.263 1.00 0.73 H new ATOM 0 HG2 LYS A 37 -0.672 -3.515 7.440 1.00 0.91 H new ATOM 0 HG3 LYS A 37 0.936 -3.972 6.916 1.00 0.91 H new ATOM 0 HD2 LYS A 37 1.864 -2.643 8.898 1.00 1.18 H new ATOM 0 HD3 LYS A 37 0.215 -2.437 9.454 1.00 1.18 H new ATOM 0 HE2 LYS A 37 0.900 -5.251 8.791 1.00 1.86 H new ATOM 0 HE3 LYS A 37 1.864 -4.584 10.093 1.00 1.86 H new ATOM 0 HZ1 LYS A 37 -0.163 -5.580 10.926 1.00 2.78 H new ATOM 0 HZ2 LYS A 37 -0.173 -3.908 11.219 1.00 2.78 H new ATOM 0 HZ3 LYS A 37 -1.108 -4.554 9.958 1.00 2.78 H new ATOM 538 N LEU A 38 -2.321 -1.315 4.876 1.00 0.69 N ATOM 539 CA LEU A 38 -3.411 -0.404 4.569 1.00 0.71 C ATOM 540 C LEU A 38 -3.987 0.153 5.872 1.00 0.72 C ATOM 541 O LEU A 38 -4.285 -0.603 6.796 1.00 0.78 O ATOM 542 CB LEU A 38 -4.450 -1.091 3.680 1.00 0.75 C ATOM 543 CG LEU A 38 -5.721 -0.290 3.394 1.00 0.75 C ATOM 544 CD1 LEU A 38 -5.402 0.981 2.605 1.00 1.08 C ATOM 545 CD2 LEU A 38 -6.768 -1.156 2.688 1.00 0.97 C ATOM 0 H LEU A 38 -2.603 -2.285 5.017 1.00 0.69 H new ATOM 0 HA LEU A 38 -3.046 0.446 3.993 1.00 0.71 H new ATOM 0 HB2 LEU A 38 -3.979 -1.339 2.729 1.00 0.75 H new ATOM 0 HB3 LEU A 38 -4.735 -2.033 4.149 1.00 0.75 H new ATOM 0 HG LEU A 38 -6.150 0.022 4.346 1.00 0.75 H new ATOM 0 HD11 LEU A 38 -6.323 1.532 2.415 1.00 1.08 H new ATOM 0 HD12 LEU A 38 -4.718 1.605 3.181 1.00 1.08 H new ATOM 0 HD13 LEU A 38 -4.937 0.713 1.656 1.00 1.08 H new ATOM 0 HD21 LEU A 38 -7.662 -0.562 2.496 1.00 0.97 H new ATOM 0 HD22 LEU A 38 -6.363 -1.518 1.743 1.00 0.97 H new ATOM 0 HD23 LEU A 38 -7.025 -2.005 3.322 1.00 0.97 H new ATOM 557 N VAL A 39 -4.127 1.470 5.905 1.00 0.68 N ATOM 558 CA VAL A 39 -4.662 2.137 7.079 1.00 0.69 C ATOM 559 C VAL A 39 -5.782 3.088 6.655 1.00 0.66 C ATOM 560 O VAL A 39 -5.683 3.747 5.621 1.00 0.71 O ATOM 561 CB VAL A 39 -3.537 2.840 7.841 1.00 0.74 C ATOM 562 CG1 VAL A 39 -2.496 1.833 8.333 1.00 0.83 C ATOM 563 CG2 VAL A 39 -2.887 3.925 6.980 1.00 0.89 C ATOM 0 H VAL A 39 -3.879 2.093 5.137 1.00 0.68 H new ATOM 0 HA VAL A 39 -5.096 1.410 7.766 1.00 0.69 H new ATOM 0 HB VAL A 39 -3.974 3.323 8.715 1.00 0.74 H new ATOM 0 HG11 VAL A 39 -1.707 2.359 8.871 1.00 0.83 H new ATOM 0 HG12 VAL A 39 -2.972 1.113 8.999 1.00 0.83 H new ATOM 0 HG13 VAL A 39 -2.066 1.309 7.480 1.00 0.83 H new ATOM 0 HG21 VAL A 39 -2.091 4.409 7.545 1.00 0.89 H new ATOM 0 HG22 VAL A 39 -2.470 3.474 6.079 1.00 0.89 H new ATOM 0 HG23 VAL A 39 -3.636 4.666 6.701 1.00 0.89 H new ATOM 573 N MET A 40 -6.823 3.130 7.473 1.00 0.60 N ATOM 574 CA MET A 40 -7.961 3.989 7.196 1.00 0.58 C ATOM 575 C MET A 40 -7.821 5.333 7.913 1.00 0.61 C ATOM 576 O MET A 40 -8.174 5.457 9.084 1.00 0.63 O ATOM 577 CB MET A 40 -9.247 3.298 7.653 1.00 0.57 C ATOM 578 CG MET A 40 -10.462 4.206 7.444 1.00 0.60 C ATOM 579 SD MET A 40 -11.808 3.672 8.485 1.00 1.34 S ATOM 580 CE MET A 40 -12.913 3.009 7.249 1.00 2.79 C ATOM 0 H MET A 40 -6.902 2.582 8.329 1.00 0.60 H new ATOM 0 HA MET A 40 -7.999 4.173 6.122 1.00 0.58 H new ATOM 0 HB2 MET A 40 -9.382 2.370 7.098 1.00 0.57 H new ATOM 0 HB3 MET A 40 -9.166 3.030 8.706 1.00 0.57 H new ATOM 0 HG2 MET A 40 -10.199 5.238 7.676 1.00 0.60 H new ATOM 0 HG3 MET A 40 -10.769 4.182 6.398 1.00 0.60 H new ATOM 0 HE1 MET A 40 -13.917 2.926 7.665 1.00 2.79 H new ATOM 0 HE2 MET A 40 -12.932 3.673 6.385 1.00 2.79 H new ATOM 0 HE3 MET A 40 -12.565 2.023 6.941 1.00 2.79 H new ATOM 590 N THR A 41 -7.304 6.308 7.179 1.00 0.63 N ATOM 591 CA THR A 41 -7.113 7.639 7.730 1.00 0.68 C ATOM 592 C THR A 41 -7.862 8.676 6.890 1.00 0.78 C ATOM 593 O THR A 41 -7.255 9.601 6.353 1.00 0.95 O ATOM 594 CB THR A 41 -5.608 7.902 7.818 1.00 0.87 C ATOM 595 OG1 THR A 41 -5.517 9.212 8.371 1.00 0.93 O ATOM 596 CG2 THR A 41 -4.953 8.031 6.442 1.00 1.06 C ATOM 0 H THR A 41 -7.012 6.203 6.208 1.00 0.63 H new ATOM 0 HA THR A 41 -7.531 7.716 8.734 1.00 0.68 H new ATOM 0 HB THR A 41 -5.130 7.093 8.371 1.00 0.87 H new ATOM 0 HG1 THR A 41 -5.918 9.857 7.752 1.00 0.93 H new ATOM 0 HG21 THR A 41 -3.886 8.217 6.563 1.00 1.06 H new ATOM 0 HG22 THR A 41 -5.099 7.108 5.881 1.00 1.06 H new ATOM 0 HG23 THR A 41 -5.407 8.861 5.899 1.00 1.06 H new ATOM 604 N ALA A 42 -9.171 8.486 6.804 1.00 0.82 N ATOM 605 CA ALA A 42 -10.009 9.395 6.040 1.00 1.07 C ATOM 606 C ALA A 42 -9.781 10.826 6.529 1.00 1.25 C ATOM 607 O ALA A 42 -9.134 11.623 5.851 1.00 2.35 O ATOM 608 CB ALA A 42 -11.472 8.962 6.161 1.00 1.20 C ATOM 0 H ALA A 42 -9.671 7.717 7.250 1.00 0.82 H new ATOM 0 HA ALA A 42 -9.746 9.364 4.983 1.00 1.07 H new ATOM 0 HB1 ALA A 42 -12.102 9.643 5.588 1.00 1.20 H new ATOM 0 HB2 ALA A 42 -11.585 7.950 5.772 1.00 1.20 H new ATOM 0 HB3 ALA A 42 -11.773 8.984 7.209 1.00 1.20 H new ATOM 614 N MET A 43 -10.327 11.110 7.702 1.00 1.15 N ATOM 615 CA MET A 43 -10.191 12.432 8.290 1.00 1.40 C ATOM 616 C MET A 43 -9.414 12.369 9.607 1.00 1.47 C ATOM 617 O MET A 43 -9.998 12.149 10.667 1.00 1.47 O ATOM 618 CB MET A 43 -11.580 13.022 8.544 1.00 1.72 C ATOM 619 CG MET A 43 -11.480 14.478 9.006 1.00 2.49 C ATOM 620 SD MET A 43 -10.802 15.487 7.698 1.00 3.92 S ATOM 621 CE MET A 43 -9.732 16.550 8.652 1.00 5.35 C ATOM 0 H MET A 43 -10.864 10.448 8.261 1.00 1.15 H new ATOM 0 HA MET A 43 -9.639 13.064 7.594 1.00 1.40 H new ATOM 0 HB2 MET A 43 -12.175 12.966 7.633 1.00 1.72 H new ATOM 0 HB3 MET A 43 -12.098 12.431 9.300 1.00 1.72 H new ATOM 0 HG2 MET A 43 -12.466 14.847 9.288 1.00 2.49 H new ATOM 0 HG3 MET A 43 -10.849 14.545 9.892 1.00 2.49 H new ATOM 0 HE1 MET A 43 -9.226 17.249 7.986 1.00 5.35 H new ATOM 0 HE2 MET A 43 -10.325 17.106 9.378 1.00 5.35 H new ATOM 0 HE3 MET A 43 -8.991 15.946 9.175 1.00 5.35 H new ATOM 631 N PRO A 44 -8.073 12.573 9.493 1.00 2.21 N ATOM 632 CA PRO A 44 -7.211 12.542 10.662 1.00 2.53 C ATOM 633 C PRO A 44 -7.368 13.816 11.494 1.00 2.80 C ATOM 634 O PRO A 44 -7.111 14.916 11.007 1.00 3.54 O ATOM 635 CB PRO A 44 -5.806 12.364 10.108 1.00 3.61 C ATOM 636 CG PRO A 44 -5.880 12.767 8.644 1.00 4.04 C ATOM 637 CD PRO A 44 -7.348 12.837 8.254 1.00 3.11 C ATOM 0 HA PRO A 44 -7.461 11.733 11.348 1.00 2.53 H new ATOM 0 HB2 PRO A 44 -5.092 12.985 10.648 1.00 3.61 H new ATOM 0 HB3 PRO A 44 -5.473 11.331 10.212 1.00 3.61 H new ATOM 0 HG2 PRO A 44 -5.397 13.732 8.489 1.00 4.04 H new ATOM 0 HG3 PRO A 44 -5.354 12.043 8.022 1.00 4.04 H new ATOM 0 HD2 PRO A 44 -7.603 13.815 7.846 1.00 3.11 H new ATOM 0 HD3 PRO A 44 -7.590 12.100 7.489 1.00 3.11 H new ATOM 645 N GLY A 45 -7.791 13.625 12.735 1.00 2.75 N ATOM 646 CA GLY A 45 -7.986 14.745 13.640 1.00 3.42 C ATOM 647 C GLY A 45 -7.006 14.680 14.813 1.00 3.51 C ATOM 648 O GLY A 45 -6.545 15.710 15.299 1.00 4.08 O ATOM 0 H GLY A 45 -8.004 12.711 13.135 1.00 2.75 H new ATOM 0 HA2 GLY A 45 -7.850 15.682 13.099 1.00 3.42 H new ATOM 0 HA3 GLY A 45 -9.009 14.740 14.016 1.00 3.42 H new ATOM 652 N MET A 46 -6.718 13.457 15.233 1.00 3.31 N ATOM 653 CA MET A 46 -5.801 13.244 16.340 1.00 3.74 C ATOM 654 C MET A 46 -4.354 13.169 15.848 1.00 3.83 C ATOM 655 O MET A 46 -3.698 12.138 15.991 1.00 4.26 O ATOM 656 CB MET A 46 -6.162 11.943 17.060 1.00 4.39 C ATOM 657 CG MET A 46 -7.319 12.161 18.038 1.00 4.74 C ATOM 658 SD MET A 46 -6.683 12.457 19.679 1.00 5.54 S ATOM 659 CE MET A 46 -7.377 14.072 19.993 1.00 5.41 C ATOM 0 H MET A 46 -7.103 12.604 14.827 1.00 3.31 H new ATOM 0 HA MET A 46 -5.889 14.087 17.026 1.00 3.74 H new ATOM 0 HB2 MET A 46 -6.437 11.183 16.329 1.00 4.39 H new ATOM 0 HB3 MET A 46 -5.292 11.567 17.598 1.00 4.39 H new ATOM 0 HG2 MET A 46 -7.924 13.008 17.715 1.00 4.74 H new ATOM 0 HG3 MET A 46 -7.971 11.287 18.044 1.00 4.74 H new ATOM 0 HE1 MET A 46 -7.076 14.411 20.984 1.00 5.41 H new ATOM 0 HE2 MET A 46 -7.014 14.776 19.244 1.00 5.41 H new ATOM 0 HE3 MET A 46 -8.464 14.017 19.943 1.00 5.41 H new ATOM 669 N GLU A 47 -3.899 14.275 15.278 1.00 3.72 N ATOM 670 CA GLU A 47 -2.542 14.347 14.763 1.00 4.17 C ATOM 671 C GLU A 47 -2.192 13.065 14.006 1.00 4.01 C ATOM 672 O GLU A 47 -1.447 12.226 14.509 1.00 4.44 O ATOM 673 CB GLU A 47 -1.541 14.609 15.890 1.00 5.05 C ATOM 674 CG GLU A 47 -0.555 15.713 15.504 1.00 5.66 C ATOM 675 CD GLU A 47 0.783 15.121 15.059 1.00 6.93 C ATOM 676 OE1 GLU A 47 0.809 14.191 14.241 1.00 7.69 O ATOM 677 OE2 GLU A 47 1.824 15.664 15.595 1.00 7.45 O ATOM 0 H GLU A 47 -4.446 15.128 15.161 1.00 3.72 H new ATOM 0 HA GLU A 47 -2.483 15.184 14.067 1.00 4.17 H new ATOM 0 HB2 GLU A 47 -2.075 14.895 16.796 1.00 5.05 H new ATOM 0 HB3 GLU A 47 -0.996 13.693 16.117 1.00 5.05 H new ATOM 0 HG2 GLU A 47 -0.976 16.316 14.699 1.00 5.66 H new ATOM 0 HG3 GLU A 47 -0.398 16.379 16.353 1.00 5.66 H new ATOM 684 N HIS A 48 -2.746 12.953 12.808 1.00 3.54 N ATOM 685 CA HIS A 48 -2.503 11.787 11.976 1.00 3.41 C ATOM 686 C HIS A 48 -2.746 10.515 12.790 1.00 2.79 C ATOM 687 O HIS A 48 -1.821 9.970 13.390 1.00 3.00 O ATOM 688 CB HIS A 48 -1.102 11.840 11.364 1.00 4.15 C ATOM 689 CG HIS A 48 -1.092 11.939 9.857 1.00 4.79 C ATOM 690 ND1 HIS A 48 -0.235 12.778 9.167 1.00 5.67 N ATOM 691 CD2 HIS A 48 -1.844 11.298 8.917 1.00 5.49 C ATOM 692 CE1 HIS A 48 -0.469 12.639 7.870 1.00 6.51 C ATOM 693 NE2 HIS A 48 -1.466 11.722 7.717 1.00 6.47 N ATOM 0 H HIS A 48 -3.363 13.651 12.393 1.00 3.54 H new ATOM 0 HA HIS A 48 -3.202 11.780 11.140 1.00 3.41 H new ATOM 0 HB2 HIS A 48 -0.569 12.696 11.777 1.00 4.15 H new ATOM 0 HB3 HIS A 48 -0.552 10.947 11.663 1.00 4.15 H new ATOM 0 HD2 HIS A 48 -2.616 10.569 9.115 1.00 5.49 H new ATOM 0 HE1 HIS A 48 0.041 13.161 7.074 1.00 6.51 H new ATOM 0 HE2 HIS A 48 -1.857 11.413 6.827 1.00 6.47 H new ATOM 701 N SER A 49 -3.997 10.079 12.786 1.00 2.24 N ATOM 702 CA SER A 49 -4.375 8.881 13.518 1.00 1.80 C ATOM 703 C SER A 49 -4.948 7.839 12.555 1.00 1.52 C ATOM 704 O SER A 49 -6.163 7.674 12.466 1.00 1.44 O ATOM 705 CB SER A 49 -5.390 9.204 14.616 1.00 1.80 C ATOM 706 OG SER A 49 -6.656 9.578 14.081 1.00 3.07 O ATOM 0 H SER A 49 -4.762 10.533 12.288 1.00 2.24 H new ATOM 0 HA SER A 49 -3.483 8.475 13.994 1.00 1.80 H new ATOM 0 HB2 SER A 49 -5.512 8.335 15.263 1.00 1.80 H new ATOM 0 HB3 SER A 49 -5.006 10.013 15.238 1.00 1.80 H new ATOM 0 HG SER A 49 -7.006 8.849 13.528 1.00 3.07 H new ATOM 712 N PRO A 50 -4.021 7.146 11.841 1.00 1.53 N ATOM 713 CA PRO A 50 -4.422 6.125 10.887 1.00 1.43 C ATOM 714 C PRO A 50 -4.871 4.851 11.606 1.00 1.25 C ATOM 715 O PRO A 50 -4.307 4.483 12.635 1.00 1.43 O ATOM 716 CB PRO A 50 -3.202 5.911 10.006 1.00 1.72 C ATOM 717 CG PRO A 50 -2.023 6.476 10.780 1.00 1.92 C ATOM 718 CD PRO A 50 -2.573 7.316 11.920 1.00 1.81 C ATOM 0 HA PRO A 50 -5.283 6.422 10.288 1.00 1.43 H new ATOM 0 HB2 PRO A 50 -3.057 4.852 9.791 1.00 1.72 H new ATOM 0 HB3 PRO A 50 -3.319 6.418 9.048 1.00 1.72 H new ATOM 0 HG2 PRO A 50 -1.399 5.670 11.166 1.00 1.92 H new ATOM 0 HG3 PRO A 50 -1.394 7.082 10.128 1.00 1.92 H new ATOM 0 HD2 PRO A 50 -2.187 6.979 12.882 1.00 1.81 H new ATOM 0 HD3 PRO A 50 -2.291 8.363 11.812 1.00 1.81 H new ATOM 726 N MET A 51 -5.882 4.213 11.035 1.00 0.98 N ATOM 727 CA MET A 51 -6.413 2.988 11.608 1.00 0.89 C ATOM 728 C MET A 51 -6.088 1.783 10.724 1.00 0.90 C ATOM 729 O MET A 51 -6.701 1.594 9.674 1.00 1.15 O ATOM 730 CB MET A 51 -7.930 3.113 11.763 1.00 0.90 C ATOM 731 CG MET A 51 -8.290 4.163 12.816 1.00 1.26 C ATOM 732 SD MET A 51 -10.005 4.629 12.653 1.00 2.63 S ATOM 733 CE MET A 51 -10.775 3.294 13.552 1.00 3.04 C ATOM 0 H MET A 51 -6.347 4.521 10.181 1.00 0.98 H new ATOM 0 HA MET A 51 -5.950 2.835 12.583 1.00 0.89 H new ATOM 0 HB2 MET A 51 -8.375 3.385 10.806 1.00 0.90 H new ATOM 0 HB3 MET A 51 -8.351 2.149 12.048 1.00 0.90 H new ATOM 0 HG2 MET A 51 -8.106 3.766 13.814 1.00 1.26 H new ATOM 0 HG3 MET A 51 -7.654 5.040 12.699 1.00 1.26 H new ATOM 0 HE1 MET A 51 -11.857 3.429 13.549 1.00 3.04 H new ATOM 0 HE2 MET A 51 -10.527 2.345 13.077 1.00 3.04 H new ATOM 0 HE3 MET A 51 -10.413 3.291 14.580 1.00 3.04 H new ATOM 743 N ALA A 52 -5.123 0.997 11.180 1.00 0.79 N ATOM 744 CA ALA A 52 -4.708 -0.185 10.445 1.00 0.80 C ATOM 745 C ALA A 52 -5.937 -1.038 10.126 1.00 0.74 C ATOM 746 O ALA A 52 -6.819 -1.202 10.966 1.00 0.75 O ATOM 747 CB ALA A 52 -3.662 -0.951 11.256 1.00 0.87 C ATOM 0 H ALA A 52 -4.616 1.157 12.051 1.00 0.79 H new ATOM 0 HA ALA A 52 -4.245 0.095 9.499 1.00 0.80 H new ATOM 0 HB1 ALA A 52 -3.351 -1.838 10.704 1.00 0.87 H new ATOM 0 HB2 ALA A 52 -2.797 -0.311 11.431 1.00 0.87 H new ATOM 0 HB3 ALA A 52 -4.091 -1.251 12.212 1.00 0.87 H new ATOM 753 N VAL A 53 -5.956 -1.559 8.908 1.00 0.73 N ATOM 754 CA VAL A 53 -7.062 -2.392 8.466 1.00 0.71 C ATOM 755 C VAL A 53 -6.581 -3.838 8.325 1.00 0.77 C ATOM 756 O VAL A 53 -5.386 -4.087 8.174 1.00 0.93 O ATOM 757 CB VAL A 53 -7.657 -1.831 7.173 1.00 0.71 C ATOM 758 CG1 VAL A 53 -6.826 -2.253 5.960 1.00 0.72 C ATOM 759 CG2 VAL A 53 -9.117 -2.256 7.012 1.00 0.78 C ATOM 0 H VAL A 53 -5.223 -1.420 8.213 1.00 0.73 H new ATOM 0 HA VAL A 53 -7.863 -2.386 9.205 1.00 0.71 H new ATOM 0 HB VAL A 53 -7.630 -0.743 7.236 1.00 0.71 H new ATOM 0 HG11 VAL A 53 -7.270 -1.841 5.054 1.00 0.72 H new ATOM 0 HG12 VAL A 53 -5.808 -1.878 6.068 1.00 0.72 H new ATOM 0 HG13 VAL A 53 -6.807 -3.341 5.893 1.00 0.72 H new ATOM 0 HG21 VAL A 53 -9.516 -1.844 6.085 1.00 0.78 H new ATOM 0 HG22 VAL A 53 -9.178 -3.344 6.981 1.00 0.78 H new ATOM 0 HG23 VAL A 53 -9.699 -1.884 7.855 1.00 0.78 H new ATOM 769 N LYS A 54 -7.538 -4.754 8.378 1.00 0.75 N ATOM 770 CA LYS A 54 -7.227 -6.168 8.259 1.00 0.84 C ATOM 771 C LYS A 54 -7.032 -6.520 6.782 1.00 0.78 C ATOM 772 O LYS A 54 -8.003 -6.713 6.053 1.00 0.90 O ATOM 773 CB LYS A 54 -8.297 -7.012 8.955 1.00 0.94 C ATOM 774 CG LYS A 54 -8.404 -8.398 8.315 1.00 2.45 C ATOM 775 CD LYS A 54 -8.798 -9.452 9.352 1.00 2.82 C ATOM 776 CE LYS A 54 -9.021 -10.814 8.692 1.00 4.45 C ATOM 777 NZ LYS A 54 -9.622 -11.764 9.654 1.00 4.81 N ATOM 0 H LYS A 54 -8.528 -4.544 8.502 1.00 0.75 H new ATOM 0 HA LYS A 54 -6.291 -6.397 8.769 1.00 0.84 H new ATOM 0 HB2 LYS A 54 -8.054 -7.114 10.013 1.00 0.94 H new ATOM 0 HB3 LYS A 54 -9.260 -6.505 8.896 1.00 0.94 H new ATOM 0 HG2 LYS A 54 -9.143 -8.377 7.514 1.00 2.45 H new ATOM 0 HG3 LYS A 54 -7.450 -8.668 7.861 1.00 2.45 H new ATOM 0 HD2 LYS A 54 -8.017 -9.534 10.108 1.00 2.82 H new ATOM 0 HD3 LYS A 54 -9.707 -9.140 9.866 1.00 2.82 H new ATOM 0 HE2 LYS A 54 -9.674 -10.703 7.826 1.00 4.45 H new ATOM 0 HE3 LYS A 54 -8.072 -11.208 8.328 1.00 4.45 H new ATOM 0 HZ1 LYS A 54 -9.767 -12.683 9.190 1.00 4.81 H new ATOM 0 HZ2 LYS A 54 -8.985 -11.883 10.468 1.00 4.81 H new ATOM 0 HZ3 LYS A 54 -10.537 -11.394 9.982 1.00 4.81 H new ATOM 791 N ALA A 55 -5.770 -6.590 6.387 1.00 0.74 N ATOM 792 CA ALA A 55 -5.434 -6.915 5.011 1.00 0.69 C ATOM 793 C ALA A 55 -4.170 -7.777 4.988 1.00 0.58 C ATOM 794 O ALA A 55 -3.555 -8.010 6.027 1.00 0.58 O ATOM 795 CB ALA A 55 -5.273 -5.623 4.206 1.00 0.75 C ATOM 0 H ALA A 55 -4.968 -6.427 6.995 1.00 0.74 H new ATOM 0 HA ALA A 55 -6.234 -7.492 4.547 1.00 0.69 H new ATOM 0 HB1 ALA A 55 -5.021 -5.866 3.174 1.00 0.75 H new ATOM 0 HB2 ALA A 55 -6.207 -5.061 4.229 1.00 0.75 H new ATOM 0 HB3 ALA A 55 -4.476 -5.020 4.641 1.00 0.75 H new ATOM 801 N ALA A 56 -3.822 -8.228 3.792 1.00 0.54 N ATOM 802 CA ALA A 56 -2.643 -9.060 3.620 1.00 0.53 C ATOM 803 C ALA A 56 -2.015 -8.774 2.254 1.00 0.48 C ATOM 804 O ALA A 56 -2.726 -8.508 1.285 1.00 0.58 O ATOM 805 CB ALA A 56 -3.026 -10.532 3.789 1.00 0.73 C ATOM 0 H ALA A 56 -4.336 -8.033 2.933 1.00 0.54 H new ATOM 0 HA ALA A 56 -1.897 -8.828 4.380 1.00 0.53 H new ATOM 0 HB1 ALA A 56 -2.141 -11.155 3.660 1.00 0.73 H new ATOM 0 HB2 ALA A 56 -3.438 -10.689 4.786 1.00 0.73 H new ATOM 0 HB3 ALA A 56 -3.772 -10.802 3.042 1.00 0.73 H new ATOM 811 N VAL A 57 -0.693 -8.837 2.220 1.00 0.48 N ATOM 812 CA VAL A 57 0.037 -8.588 0.989 1.00 0.49 C ATOM 813 C VAL A 57 0.263 -9.913 0.258 1.00 0.60 C ATOM 814 O VAL A 57 0.779 -10.866 0.840 1.00 0.69 O ATOM 815 CB VAL A 57 1.339 -7.843 1.294 1.00 0.57 C ATOM 816 CG1 VAL A 57 2.103 -8.520 2.434 1.00 1.89 C ATOM 817 CG2 VAL A 57 2.210 -7.726 0.042 1.00 2.12 C ATOM 0 H VAL A 57 -0.108 -9.057 3.026 1.00 0.48 H new ATOM 0 HA VAL A 57 -0.541 -7.945 0.325 1.00 0.49 H new ATOM 0 HB VAL A 57 1.081 -6.834 1.617 1.00 0.57 H new ATOM 0 HG11 VAL A 57 3.024 -7.971 2.631 1.00 1.89 H new ATOM 0 HG12 VAL A 57 1.485 -8.527 3.332 1.00 1.89 H new ATOM 0 HG13 VAL A 57 2.344 -9.545 2.152 1.00 1.89 H new ATOM 0 HG21 VAL A 57 3.129 -7.193 0.286 1.00 2.12 H new ATOM 0 HG22 VAL A 57 2.456 -8.723 -0.325 1.00 2.12 H new ATOM 0 HG23 VAL A 57 1.667 -7.179 -0.729 1.00 2.12 H new ATOM 827 N SER A 58 -0.133 -9.930 -1.005 1.00 0.65 N ATOM 828 CA SER A 58 0.020 -11.123 -1.821 1.00 0.82 C ATOM 829 C SER A 58 0.547 -10.744 -3.207 1.00 0.96 C ATOM 830 O SER A 58 -0.004 -9.862 -3.865 1.00 1.44 O ATOM 831 CB SER A 58 -1.304 -11.880 -1.945 1.00 0.94 C ATOM 832 OG SER A 58 -2.077 -11.801 -0.752 1.00 1.10 O ATOM 0 H SER A 58 -0.560 -9.137 -1.484 1.00 0.65 H new ATOM 0 HA SER A 58 0.739 -11.781 -1.333 1.00 0.82 H new ATOM 0 HB2 SER A 58 -1.878 -11.472 -2.777 1.00 0.94 H new ATOM 0 HB3 SER A 58 -1.103 -12.926 -2.178 1.00 0.94 H new ATOM 0 HG SER A 58 -2.915 -12.295 -0.872 1.00 1.10 H new ATOM 838 N GLY A 59 1.606 -11.430 -3.611 1.00 0.77 N ATOM 839 CA GLY A 59 2.212 -11.177 -4.907 1.00 0.85 C ATOM 840 C GLY A 59 1.373 -11.781 -6.033 1.00 1.05 C ATOM 841 O GLY A 59 0.472 -12.581 -5.781 1.00 1.31 O ATOM 0 H GLY A 59 2.060 -12.161 -3.063 1.00 0.77 H new ATOM 0 HA2 GLY A 59 2.314 -10.103 -5.061 1.00 0.85 H new ATOM 0 HA3 GLY A 59 3.217 -11.599 -4.931 1.00 0.85 H new ATOM 845 N GLY A 60 1.696 -11.377 -7.252 1.00 0.99 N ATOM 846 CA GLY A 60 0.982 -11.868 -8.419 1.00 1.21 C ATOM 847 C GLY A 60 1.840 -12.859 -9.209 1.00 1.40 C ATOM 848 O GLY A 60 2.216 -12.588 -10.348 1.00 2.74 O ATOM 0 H GLY A 60 2.444 -10.714 -7.458 1.00 0.99 H new ATOM 0 HA2 GLY A 60 0.056 -12.351 -8.107 1.00 1.21 H new ATOM 0 HA3 GLY A 60 0.704 -11.031 -9.059 1.00 1.21 H new ATOM 852 N GLY A 61 2.124 -13.986 -8.573 1.00 1.64 N ATOM 853 CA GLY A 61 2.931 -15.017 -9.203 1.00 1.72 C ATOM 854 C GLY A 61 4.422 -14.695 -9.086 1.00 1.61 C ATOM 855 O GLY A 61 5.201 -15.517 -8.607 1.00 2.06 O ATOM 0 H GLY A 61 1.810 -14.208 -7.628 1.00 1.64 H new ATOM 0 HA2 GLY A 61 2.726 -15.980 -8.736 1.00 1.72 H new ATOM 0 HA3 GLY A 61 2.656 -15.107 -10.254 1.00 1.72 H new ATOM 859 N ASP A 62 4.772 -13.498 -9.533 1.00 1.35 N ATOM 860 CA ASP A 62 6.156 -13.057 -9.484 1.00 1.31 C ATOM 861 C ASP A 62 6.439 -12.431 -8.117 1.00 1.09 C ATOM 862 O ASP A 62 5.566 -11.799 -7.527 1.00 0.96 O ATOM 863 CB ASP A 62 6.436 -12.002 -10.555 1.00 1.48 C ATOM 864 CG ASP A 62 5.661 -12.185 -11.862 1.00 2.55 C ATOM 865 OD1 ASP A 62 5.648 -13.389 -12.324 1.00 2.94 O ATOM 866 OD2 ASP A 62 5.098 -11.226 -12.410 1.00 3.75 O ATOM 0 H ASP A 62 4.122 -12.820 -9.931 1.00 1.35 H new ATOM 0 HA ASP A 62 6.793 -13.924 -9.658 1.00 1.31 H new ATOM 0 HB2 ASP A 62 6.201 -11.019 -10.146 1.00 1.48 H new ATOM 0 HB3 ASP A 62 7.503 -12.008 -10.779 1.00 1.48 H new ATOM 871 N PRO A 63 7.698 -12.633 -7.642 1.00 1.12 N ATOM 872 CA PRO A 63 8.108 -12.095 -6.356 1.00 1.04 C ATOM 873 C PRO A 63 8.346 -10.586 -6.444 1.00 0.91 C ATOM 874 O PRO A 63 8.522 -9.922 -5.423 1.00 0.95 O ATOM 875 CB PRO A 63 9.360 -12.873 -5.985 1.00 1.26 C ATOM 876 CG PRO A 63 9.868 -13.488 -7.280 1.00 1.41 C ATOM 877 CD PRO A 63 8.760 -13.377 -8.314 1.00 1.34 C ATOM 0 HA PRO A 63 7.342 -12.209 -5.589 1.00 1.04 H new ATOM 0 HB2 PRO A 63 10.111 -12.218 -5.543 1.00 1.26 H new ATOM 0 HB3 PRO A 63 9.137 -13.644 -5.248 1.00 1.26 H new ATOM 0 HG2 PRO A 63 10.764 -12.970 -7.623 1.00 1.41 H new ATOM 0 HG3 PRO A 63 10.143 -14.531 -7.125 1.00 1.41 H new ATOM 0 HD2 PRO A 63 9.103 -12.856 -9.208 1.00 1.34 H new ATOM 0 HD3 PRO A 63 8.414 -14.361 -8.631 1.00 1.34 H new ATOM 885 N LYS A 64 8.343 -10.089 -7.672 1.00 0.84 N ATOM 886 CA LYS A 64 8.557 -8.671 -7.906 1.00 0.81 C ATOM 887 C LYS A 64 7.203 -7.965 -7.996 1.00 0.74 C ATOM 888 O LYS A 64 7.112 -6.759 -7.768 1.00 0.82 O ATOM 889 CB LYS A 64 9.445 -8.459 -9.133 1.00 0.84 C ATOM 890 CG LYS A 64 8.749 -8.946 -10.406 1.00 0.82 C ATOM 891 CD LYS A 64 9.635 -9.928 -11.173 1.00 1.50 C ATOM 892 CE LYS A 64 9.654 -9.597 -12.667 1.00 1.44 C ATOM 893 NZ LYS A 64 11.006 -9.160 -13.083 1.00 2.29 N ATOM 0 H LYS A 64 8.196 -10.643 -8.516 1.00 0.84 H new ATOM 0 HA LYS A 64 9.096 -8.223 -7.071 1.00 0.81 H new ATOM 0 HB2 LYS A 64 9.690 -7.401 -9.230 1.00 0.84 H new ATOM 0 HB3 LYS A 64 10.386 -8.993 -9.002 1.00 0.84 H new ATOM 0 HG2 LYS A 64 7.806 -9.427 -10.148 1.00 0.82 H new ATOM 0 HG3 LYS A 64 8.509 -8.094 -11.042 1.00 0.82 H new ATOM 0 HD2 LYS A 64 10.650 -9.894 -10.776 1.00 1.50 H new ATOM 0 HD3 LYS A 64 9.269 -10.944 -11.027 1.00 1.50 H new ATOM 0 HE2 LYS A 64 9.355 -10.472 -13.243 1.00 1.44 H new ATOM 0 HE3 LYS A 64 8.929 -8.811 -12.881 1.00 1.44 H new ATOM 0 HZ1 LYS A 64 11.002 -8.939 -14.099 1.00 2.29 H new ATOM 0 HZ2 LYS A 64 11.277 -8.312 -12.545 1.00 2.29 H new ATOM 0 HZ3 LYS A 64 11.690 -9.921 -12.897 1.00 2.29 H new ATOM 907 N THR A 65 6.186 -8.745 -8.329 1.00 0.69 N ATOM 908 CA THR A 65 4.841 -8.208 -8.452 1.00 0.68 C ATOM 909 C THR A 65 4.078 -8.372 -7.136 1.00 0.64 C ATOM 910 O THR A 65 3.828 -9.493 -6.695 1.00 0.77 O ATOM 911 CB THR A 65 4.163 -8.899 -9.637 1.00 0.75 C ATOM 912 OG1 THR A 65 4.732 -8.266 -10.780 1.00 0.78 O ATOM 913 CG2 THR A 65 2.672 -8.569 -9.733 1.00 0.79 C ATOM 0 H THR A 65 6.266 -9.744 -8.517 1.00 0.69 H new ATOM 0 HA THR A 65 4.860 -7.136 -8.649 1.00 0.68 H new ATOM 0 HB THR A 65 4.291 -9.978 -9.549 1.00 0.75 H new ATOM 0 HG1 THR A 65 4.349 -8.655 -11.594 1.00 0.78 H new ATOM 0 HG21 THR A 65 2.240 -9.085 -10.590 1.00 0.79 H new ATOM 0 HG22 THR A 65 2.168 -8.894 -8.823 1.00 0.79 H new ATOM 0 HG23 THR A 65 2.545 -7.493 -9.854 1.00 0.79 H new ATOM 921 N MET A 66 3.731 -7.238 -6.545 1.00 0.55 N ATOM 922 CA MET A 66 3.002 -7.241 -5.288 1.00 0.53 C ATOM 923 C MET A 66 1.544 -6.827 -5.499 1.00 0.50 C ATOM 924 O MET A 66 1.246 -6.014 -6.372 1.00 0.53 O ATOM 925 CB MET A 66 3.670 -6.276 -4.308 1.00 0.54 C ATOM 926 CG MET A 66 4.279 -7.031 -3.123 1.00 0.58 C ATOM 927 SD MET A 66 5.980 -6.542 -2.896 1.00 1.67 S ATOM 928 CE MET A 66 6.696 -7.201 -4.393 1.00 0.94 C ATOM 0 H MET A 66 3.941 -6.310 -6.914 1.00 0.55 H new ATOM 0 HA MET A 66 3.018 -8.253 -4.883 1.00 0.53 H new ATOM 0 HB2 MET A 66 4.447 -5.711 -4.822 1.00 0.54 H new ATOM 0 HB3 MET A 66 2.937 -5.554 -3.946 1.00 0.54 H new ATOM 0 HG2 MET A 66 3.709 -6.824 -2.218 1.00 0.58 H new ATOM 0 HG3 MET A 66 4.221 -8.105 -3.297 1.00 0.58 H new ATOM 0 HE1 MET A 66 7.378 -8.014 -4.143 1.00 0.94 H new ATOM 0 HE2 MET A 66 5.904 -7.578 -5.040 1.00 0.94 H new ATOM 0 HE3 MET A 66 7.244 -6.414 -4.911 1.00 0.94 H new ATOM 938 N VAL A 67 0.675 -7.406 -4.683 1.00 0.49 N ATOM 939 CA VAL A 67 -0.744 -7.107 -4.769 1.00 0.48 C ATOM 940 C VAL A 67 -1.355 -7.143 -3.366 1.00 0.48 C ATOM 941 O VAL A 67 -1.401 -8.197 -2.732 1.00 0.57 O ATOM 942 CB VAL A 67 -1.424 -8.072 -5.742 1.00 0.52 C ATOM 943 CG1 VAL A 67 -2.841 -7.602 -6.080 1.00 1.81 C ATOM 944 CG2 VAL A 67 -0.589 -8.251 -7.011 1.00 1.48 C ATOM 0 H VAL A 67 0.926 -8.080 -3.960 1.00 0.49 H new ATOM 0 HA VAL A 67 -0.899 -6.104 -5.165 1.00 0.48 H new ATOM 0 HB VAL A 67 -1.500 -9.043 -5.252 1.00 0.52 H new ATOM 0 HG11 VAL A 67 -3.302 -8.306 -6.773 1.00 1.81 H new ATOM 0 HG12 VAL A 67 -3.435 -7.550 -5.167 1.00 1.81 H new ATOM 0 HG13 VAL A 67 -2.797 -6.615 -6.541 1.00 1.81 H new ATOM 0 HG21 VAL A 67 -1.095 -8.942 -7.685 1.00 1.48 H new ATOM 0 HG22 VAL A 67 -0.466 -7.287 -7.504 1.00 1.48 H new ATOM 0 HG23 VAL A 67 0.390 -8.652 -6.749 1.00 1.48 H new ATOM 954 N ILE A 68 -1.808 -5.980 -2.922 1.00 0.42 N ATOM 955 CA ILE A 68 -2.412 -5.865 -1.605 1.00 0.42 C ATOM 956 C ILE A 68 -3.893 -6.242 -1.695 1.00 0.41 C ATOM 957 O ILE A 68 -4.663 -5.585 -2.393 1.00 0.48 O ATOM 958 CB ILE A 68 -2.167 -4.473 -1.022 1.00 0.48 C ATOM 959 CG1 ILE A 68 -1.089 -4.515 0.063 1.00 0.63 C ATOM 960 CG2 ILE A 68 -3.470 -3.854 -0.512 1.00 0.58 C ATOM 961 CD1 ILE A 68 0.309 -4.413 -0.549 1.00 0.68 C ATOM 0 H ILE A 68 -1.769 -5.109 -3.451 1.00 0.42 H new ATOM 0 HA ILE A 68 -1.945 -6.562 -0.909 1.00 0.42 H new ATOM 0 HB ILE A 68 -1.796 -3.829 -1.820 1.00 0.48 H new ATOM 0 HG12 ILE A 68 -1.243 -3.696 0.765 1.00 0.63 H new ATOM 0 HG13 ILE A 68 -1.175 -5.442 0.630 1.00 0.63 H new ATOM 0 HG21 ILE A 68 -3.267 -2.864 -0.103 1.00 0.58 H new ATOM 0 HG22 ILE A 68 -4.179 -3.768 -1.336 1.00 0.58 H new ATOM 0 HG23 ILE A 68 -3.894 -4.489 0.266 1.00 0.58 H new ATOM 0 HD11 ILE A 68 1.056 -4.445 0.244 1.00 0.68 H new ATOM 0 HD12 ILE A 68 0.469 -5.247 -1.232 1.00 0.68 H new ATOM 0 HD13 ILE A 68 0.400 -3.474 -1.095 1.00 0.68 H new ATOM 973 N THR A 69 -4.246 -7.300 -0.979 1.00 0.39 N ATOM 974 CA THR A 69 -5.619 -7.772 -0.969 1.00 0.43 C ATOM 975 C THR A 69 -6.155 -7.822 0.464 1.00 0.46 C ATOM 976 O THR A 69 -5.787 -8.703 1.237 1.00 0.52 O ATOM 977 CB THR A 69 -5.659 -9.126 -1.679 1.00 0.48 C ATOM 978 OG1 THR A 69 -6.263 -8.841 -2.938 1.00 0.52 O ATOM 979 CG2 THR A 69 -6.627 -10.108 -1.016 1.00 0.51 C ATOM 0 H THR A 69 -3.604 -7.843 -0.402 1.00 0.39 H new ATOM 0 HA THR A 69 -6.276 -7.088 -1.506 1.00 0.43 H new ATOM 0 HB THR A 69 -4.658 -9.557 -1.693 1.00 0.48 H new ATOM 0 HG1 THR A 69 -6.326 -9.665 -3.464 1.00 0.52 H new ATOM 0 HG21 THR A 69 -6.616 -11.053 -1.560 1.00 0.51 H new ATOM 0 HG22 THR A 69 -6.321 -10.280 0.016 1.00 0.51 H new ATOM 0 HG23 THR A 69 -7.634 -9.692 -1.031 1.00 0.51 H new ATOM 987 N PRO A 70 -7.040 -6.838 0.781 1.00 0.45 N ATOM 988 CA PRO A 70 -7.631 -6.762 2.105 1.00 0.50 C ATOM 989 C PRO A 70 -8.705 -7.834 2.290 1.00 0.54 C ATOM 990 O PRO A 70 -9.537 -8.043 1.408 1.00 0.57 O ATOM 991 CB PRO A 70 -8.178 -5.347 2.211 1.00 0.55 C ATOM 992 CG PRO A 70 -8.289 -4.836 0.783 1.00 0.55 C ATOM 993 CD PRO A 70 -7.499 -5.777 -0.111 1.00 0.47 C ATOM 0 HA PRO A 70 -6.910 -6.957 2.899 1.00 0.50 H new ATOM 0 HB2 PRO A 70 -9.149 -5.340 2.705 1.00 0.55 H new ATOM 0 HB3 PRO A 70 -7.515 -4.715 2.802 1.00 0.55 H new ATOM 0 HG2 PRO A 70 -9.333 -4.799 0.471 1.00 0.55 H new ATOM 0 HG3 PRO A 70 -7.898 -3.821 0.709 1.00 0.55 H new ATOM 0 HD2 PRO A 70 -8.120 -6.175 -0.913 1.00 0.47 H new ATOM 0 HD3 PRO A 70 -6.660 -5.265 -0.582 1.00 0.47 H new ATOM 1001 N ALA A 71 -8.653 -8.488 3.442 1.00 0.60 N ATOM 1002 CA ALA A 71 -9.612 -9.534 3.753 1.00 0.68 C ATOM 1003 C ALA A 71 -11.015 -8.928 3.830 1.00 0.74 C ATOM 1004 O ALA A 71 -12.004 -9.606 3.556 1.00 0.87 O ATOM 1005 CB ALA A 71 -9.204 -10.229 5.054 1.00 0.71 C ATOM 0 H ALA A 71 -7.961 -8.313 4.171 1.00 0.60 H new ATOM 0 HA ALA A 71 -9.623 -10.291 2.968 1.00 0.68 H new ATOM 0 HB1 ALA A 71 -9.923 -11.014 5.288 1.00 0.71 H new ATOM 0 HB2 ALA A 71 -8.213 -10.668 4.937 1.00 0.71 H new ATOM 0 HB3 ALA A 71 -9.185 -9.501 5.865 1.00 0.71 H new ATOM 1011 N SER A 72 -11.056 -7.658 4.207 1.00 0.72 N ATOM 1012 CA SER A 72 -12.321 -6.953 4.323 1.00 0.83 C ATOM 1013 C SER A 72 -12.535 -6.056 3.104 1.00 0.84 C ATOM 1014 O SER A 72 -11.573 -5.595 2.491 1.00 0.81 O ATOM 1015 CB SER A 72 -12.373 -6.124 5.608 1.00 0.87 C ATOM 1016 OG SER A 72 -13.644 -6.207 6.247 1.00 1.04 O ATOM 0 H SER A 72 -10.234 -7.100 4.436 1.00 0.72 H new ATOM 0 HA SER A 72 -13.121 -7.692 4.366 1.00 0.83 H new ATOM 0 HB2 SER A 72 -11.599 -6.470 6.294 1.00 0.87 H new ATOM 0 HB3 SER A 72 -12.151 -5.082 5.376 1.00 0.87 H new ATOM 0 HG SER A 72 -13.635 -5.666 7.064 1.00 1.04 H new ATOM 1022 N PRO A 73 -13.836 -5.829 2.778 1.00 0.91 N ATOM 1023 CA PRO A 73 -14.188 -4.993 1.642 1.00 0.96 C ATOM 1024 C PRO A 73 -13.973 -3.514 1.962 1.00 0.95 C ATOM 1025 O PRO A 73 -14.370 -3.040 3.026 1.00 0.96 O ATOM 1026 CB PRO A 73 -15.639 -5.332 1.340 1.00 1.06 C ATOM 1027 CG PRO A 73 -16.183 -5.992 2.596 1.00 1.06 C ATOM 1028 CD PRO A 73 -15.001 -6.357 3.480 1.00 0.98 C ATOM 0 HA PRO A 73 -13.560 -5.179 0.771 1.00 0.96 H new ATOM 0 HB2 PRO A 73 -16.206 -4.435 1.093 1.00 1.06 H new ATOM 0 HB3 PRO A 73 -15.713 -6.002 0.483 1.00 1.06 H new ATOM 0 HG2 PRO A 73 -16.858 -5.316 3.121 1.00 1.06 H new ATOM 0 HG3 PRO A 73 -16.758 -6.882 2.341 1.00 1.06 H new ATOM 0 HD2 PRO A 73 -15.098 -5.917 4.473 1.00 0.98 H new ATOM 0 HD3 PRO A 73 -14.926 -7.436 3.616 1.00 0.98 H new ATOM 1036 N LEU A 74 -13.346 -2.823 1.021 1.00 0.97 N ATOM 1037 CA LEU A 74 -13.074 -1.405 1.189 1.00 0.99 C ATOM 1038 C LEU A 74 -14.362 -0.612 0.954 1.00 1.03 C ATOM 1039 O LEU A 74 -14.911 -0.625 -0.145 1.00 1.09 O ATOM 1040 CB LEU A 74 -11.913 -0.972 0.292 1.00 1.03 C ATOM 1041 CG LEU A 74 -10.588 -1.707 0.507 1.00 0.98 C ATOM 1042 CD1 LEU A 74 -9.674 -1.558 -0.711 1.00 1.14 C ATOM 1043 CD2 LEU A 74 -9.908 -1.242 1.795 1.00 0.93 C ATOM 0 H LEU A 74 -13.019 -3.219 0.140 1.00 0.97 H new ATOM 0 HA LEU A 74 -12.752 -1.197 2.209 1.00 0.99 H new ATOM 0 HB2 LEU A 74 -12.214 -1.104 -0.747 1.00 1.03 H new ATOM 0 HB3 LEU A 74 -11.743 0.094 0.442 1.00 1.03 H new ATOM 0 HG LEU A 74 -10.801 -2.770 0.620 1.00 0.98 H new ATOM 0 HD11 LEU A 74 -8.739 -2.090 -0.532 1.00 1.14 H new ATOM 0 HD12 LEU A 74 -10.167 -1.976 -1.589 1.00 1.14 H new ATOM 0 HD13 LEU A 74 -9.464 -0.502 -0.881 1.00 1.14 H new ATOM 0 HD21 LEU A 74 -8.969 -1.779 1.925 1.00 0.93 H new ATOM 0 HD22 LEU A 74 -9.709 -0.172 1.735 1.00 0.93 H new ATOM 0 HD23 LEU A 74 -10.561 -1.443 2.644 1.00 0.93 H new ATOM 1055 N THR A 75 -14.804 0.061 2.007 1.00 1.02 N ATOM 1056 CA THR A 75 -16.016 0.858 1.930 1.00 1.07 C ATOM 1057 C THR A 75 -15.671 2.330 1.697 1.00 0.99 C ATOM 1058 O THR A 75 -14.501 2.707 1.706 1.00 0.99 O ATOM 1059 CB THR A 75 -16.822 0.617 3.208 1.00 1.21 C ATOM 1060 OG1 THR A 75 -16.167 1.417 4.188 1.00 1.17 O ATOM 1061 CG2 THR A 75 -16.675 -0.812 3.733 1.00 1.09 C ATOM 0 H THR A 75 -14.344 0.070 2.917 1.00 1.02 H new ATOM 0 HA THR A 75 -16.631 0.562 1.080 1.00 1.07 H new ATOM 0 HB THR A 75 -17.875 0.826 3.018 1.00 1.21 H new ATOM 0 HG1 THR A 75 -16.626 1.321 5.048 1.00 1.17 H new ATOM 0 HG21 THR A 75 -17.267 -0.929 4.641 1.00 1.09 H new ATOM 0 HG22 THR A 75 -17.026 -1.515 2.978 1.00 1.09 H new ATOM 0 HG23 THR A 75 -15.627 -1.012 3.955 1.00 1.09 H new ATOM 1069 N ALA A 76 -16.713 3.124 1.495 1.00 0.95 N ATOM 1070 CA ALA A 76 -16.536 4.547 1.261 1.00 0.90 C ATOM 1071 C ALA A 76 -15.575 5.116 2.307 1.00 0.93 C ATOM 1072 O ALA A 76 -15.191 4.420 3.245 1.00 1.13 O ATOM 1073 CB ALA A 76 -17.899 5.242 1.283 1.00 0.90 C ATOM 0 H ALA A 76 -17.683 2.808 1.489 1.00 0.95 H new ATOM 0 HA ALA A 76 -16.096 4.722 0.279 1.00 0.90 H new ATOM 0 HB1 ALA A 76 -17.766 6.310 1.107 1.00 0.90 H new ATOM 0 HB2 ALA A 76 -18.534 4.822 0.503 1.00 0.90 H new ATOM 0 HB3 ALA A 76 -18.369 5.090 2.254 1.00 0.90 H new ATOM 1079 N GLY A 77 -15.212 6.374 2.108 1.00 0.86 N ATOM 1080 CA GLY A 77 -14.303 7.045 3.022 1.00 0.89 C ATOM 1081 C GLY A 77 -12.984 7.391 2.328 1.00 0.83 C ATOM 1082 O GLY A 77 -12.968 7.699 1.137 1.00 0.78 O ATOM 0 H GLY A 77 -15.531 6.947 1.327 1.00 0.86 H new ATOM 0 HA2 GLY A 77 -14.768 7.955 3.401 1.00 0.89 H new ATOM 0 HA3 GLY A 77 -14.108 6.405 3.882 1.00 0.89 H new ATOM 1086 N THR A 78 -11.911 7.330 3.102 1.00 0.92 N ATOM 1087 CA THR A 78 -10.591 7.634 2.576 1.00 0.88 C ATOM 1088 C THR A 78 -9.514 6.911 3.387 1.00 0.68 C ATOM 1089 O THR A 78 -9.567 6.889 4.615 1.00 0.60 O ATOM 1090 CB THR A 78 -10.424 9.156 2.566 1.00 1.03 C ATOM 1091 OG1 THR A 78 -10.996 9.559 1.325 1.00 1.23 O ATOM 1092 CG2 THR A 78 -8.959 9.583 2.458 1.00 0.93 C ATOM 0 H THR A 78 -11.928 7.075 4.089 1.00 0.92 H new ATOM 0 HA THR A 78 -10.481 7.273 1.553 1.00 0.88 H new ATOM 0 HB THR A 78 -10.858 9.575 3.474 1.00 1.03 H new ATOM 0 HG1 THR A 78 -11.671 8.905 1.048 1.00 1.23 H new ATOM 0 HG21 THR A 78 -8.896 10.671 2.455 1.00 0.93 H new ATOM 0 HG22 THR A 78 -8.402 9.190 3.308 1.00 0.93 H new ATOM 0 HG23 THR A 78 -8.533 9.193 1.534 1.00 0.93 H new ATOM 1100 N TYR A 79 -8.562 6.335 2.666 1.00 0.64 N ATOM 1101 CA TYR A 79 -7.475 5.613 3.303 1.00 0.49 C ATOM 1102 C TYR A 79 -6.142 5.909 2.614 1.00 0.50 C ATOM 1103 O TYR A 79 -6.105 6.592 1.591 1.00 0.55 O ATOM 1104 CB TYR A 79 -7.802 4.128 3.137 1.00 0.49 C ATOM 1105 CG TYR A 79 -9.282 3.790 3.331 1.00 0.50 C ATOM 1106 CD1 TYR A 79 -10.217 4.243 2.424 1.00 1.89 C ATOM 1107 CD2 TYR A 79 -9.681 3.033 4.415 1.00 1.85 C ATOM 1108 CE1 TYR A 79 -11.609 3.925 2.606 1.00 2.07 C ATOM 1109 CE2 TYR A 79 -11.073 2.716 4.597 1.00 1.76 C ATOM 1110 CZ TYR A 79 -11.969 3.178 3.683 1.00 0.80 C ATOM 1111 OH TYR A 79 -13.285 2.878 3.856 1.00 0.99 O ATOM 0 H TYR A 79 -8.522 6.354 1.647 1.00 0.64 H new ATOM 0 HA TYR A 79 -7.380 5.906 4.348 1.00 0.49 H new ATOM 0 HB2 TYR A 79 -7.495 3.808 2.141 1.00 0.49 H new ATOM 0 HB3 TYR A 79 -7.212 3.555 3.852 1.00 0.49 H new ATOM 0 HD1 TYR A 79 -9.905 4.836 1.577 1.00 1.89 H new ATOM 0 HD2 TYR A 79 -8.949 2.679 5.126 1.00 1.85 H new ATOM 0 HE1 TYR A 79 -12.351 4.272 1.902 1.00 2.07 H new ATOM 0 HE2 TYR A 79 -11.399 2.125 5.440 1.00 1.76 H new ATOM 0 HH TYR A 79 -13.823 3.385 3.213 1.00 0.99 H new ATOM 1121 N LYS A 80 -5.078 5.382 3.202 1.00 0.50 N ATOM 1122 CA LYS A 80 -3.746 5.581 2.657 1.00 0.54 C ATOM 1123 C LYS A 80 -2.938 4.291 2.812 1.00 0.48 C ATOM 1124 O LYS A 80 -2.647 3.867 3.928 1.00 0.46 O ATOM 1125 CB LYS A 80 -3.082 6.802 3.298 1.00 0.61 C ATOM 1126 CG LYS A 80 -1.593 6.864 2.950 1.00 1.10 C ATOM 1127 CD LYS A 80 -0.736 6.907 4.217 1.00 1.84 C ATOM 1128 CE LYS A 80 -0.057 8.270 4.373 1.00 1.90 C ATOM 1129 NZ LYS A 80 0.517 8.411 5.729 1.00 2.54 N ATOM 0 H LYS A 80 -5.111 4.817 4.051 1.00 0.50 H new ATOM 0 HA LYS A 80 -3.800 5.798 1.590 1.00 0.54 H new ATOM 0 HB2 LYS A 80 -3.577 7.711 2.956 1.00 0.61 H new ATOM 0 HB3 LYS A 80 -3.205 6.760 4.380 1.00 0.61 H new ATOM 0 HG2 LYS A 80 -1.319 5.996 2.351 1.00 1.10 H new ATOM 0 HG3 LYS A 80 -1.394 7.746 2.342 1.00 1.10 H new ATOM 0 HD2 LYS A 80 -1.359 6.705 5.089 1.00 1.84 H new ATOM 0 HD3 LYS A 80 0.020 6.123 4.176 1.00 1.84 H new ATOM 0 HE2 LYS A 80 0.729 8.379 3.626 1.00 1.90 H new ATOM 0 HE3 LYS A 80 -0.780 9.066 4.193 1.00 1.90 H new ATOM 0 HZ1 LYS A 80 0.974 9.341 5.818 1.00 2.54 H new ATOM 0 HZ2 LYS A 80 -0.240 8.328 6.437 1.00 2.54 H new ATOM 0 HZ3 LYS A 80 1.222 7.663 5.887 1.00 2.54 H new ATOM 1143 N VAL A 81 -2.597 3.704 1.674 1.00 0.51 N ATOM 1144 CA VAL A 81 -1.828 2.471 1.668 1.00 0.47 C ATOM 1145 C VAL A 81 -0.338 2.804 1.759 1.00 0.47 C ATOM 1146 O VAL A 81 0.208 3.469 0.879 1.00 0.57 O ATOM 1147 CB VAL A 81 -2.182 1.640 0.433 1.00 0.45 C ATOM 1148 CG1 VAL A 81 -1.579 0.237 0.526 1.00 0.59 C ATOM 1149 CG2 VAL A 81 -3.697 1.574 0.232 1.00 0.57 C ATOM 0 H VAL A 81 -2.839 4.060 0.749 1.00 0.51 H new ATOM 0 HA VAL A 81 -2.077 1.860 2.536 1.00 0.47 H new ATOM 0 HB VAL A 81 -1.750 2.133 -0.438 1.00 0.45 H new ATOM 0 HG11 VAL A 81 -1.845 -0.333 -0.364 1.00 0.59 H new ATOM 0 HG12 VAL A 81 -0.494 0.311 0.598 1.00 0.59 H new ATOM 0 HG13 VAL A 81 -1.968 -0.268 1.410 1.00 0.59 H new ATOM 0 HG21 VAL A 81 -3.921 0.978 -0.652 1.00 0.57 H new ATOM 0 HG22 VAL A 81 -4.160 1.116 1.106 1.00 0.57 H new ATOM 0 HG23 VAL A 81 -4.091 2.582 0.099 1.00 0.57 H new ATOM 1159 N ASP A 82 0.279 2.327 2.829 1.00 0.51 N ATOM 1160 CA ASP A 82 1.696 2.565 3.045 1.00 0.51 C ATOM 1161 C ASP A 82 2.486 1.318 2.642 1.00 0.51 C ATOM 1162 O ASP A 82 2.163 0.210 3.065 1.00 0.74 O ATOM 1163 CB ASP A 82 1.987 2.853 4.520 1.00 0.59 C ATOM 1164 CG ASP A 82 1.305 4.101 5.083 1.00 0.62 C ATOM 1165 OD1 ASP A 82 0.056 3.956 5.370 1.00 1.78 O ATOM 1166 OD2 ASP A 82 1.935 5.157 5.238 1.00 1.75 O ATOM 0 H ASP A 82 -0.176 1.776 3.557 1.00 0.51 H new ATOM 0 HA ASP A 82 1.989 3.426 2.444 1.00 0.51 H new ATOM 0 HB2 ASP A 82 1.678 1.991 5.111 1.00 0.59 H new ATOM 0 HB3 ASP A 82 3.064 2.957 4.648 1.00 0.59 H new ATOM 1171 N TRP A 83 3.507 1.542 1.827 1.00 0.37 N ATOM 1172 CA TRP A 83 4.345 0.451 1.360 1.00 0.40 C ATOM 1173 C TRP A 83 5.797 0.792 1.702 1.00 0.43 C ATOM 1174 O TRP A 83 6.131 1.956 1.920 1.00 0.42 O ATOM 1175 CB TRP A 83 4.128 0.191 -0.131 1.00 0.41 C ATOM 1176 CG TRP A 83 4.331 1.424 -1.013 1.00 0.39 C ATOM 1177 CD1 TRP A 83 3.394 2.209 -1.563 1.00 0.42 C ATOM 1178 CD2 TRP A 83 5.593 1.985 -1.431 1.00 0.40 C ATOM 1179 NE1 TRP A 83 3.957 3.231 -2.300 1.00 0.44 N ATOM 1180 CE2 TRP A 83 5.338 3.090 -2.216 1.00 0.43 C ATOM 1181 CE3 TRP A 83 6.908 1.572 -1.153 1.00 0.42 C ATOM 1182 CZ2 TRP A 83 6.348 3.874 -2.789 1.00 0.48 C ATOM 1183 CZ3 TRP A 83 7.905 2.366 -1.732 1.00 0.46 C ATOM 1184 CH2 TRP A 83 7.664 3.481 -2.526 1.00 0.49 C ATOM 0 H TRP A 83 3.772 2.463 1.478 1.00 0.37 H new ATOM 0 HA TRP A 83 4.078 -0.481 1.859 1.00 0.40 H new ATOM 0 HB2 TRP A 83 4.813 -0.592 -0.456 1.00 0.41 H new ATOM 0 HB3 TRP A 83 3.117 -0.187 -0.280 1.00 0.41 H new ATOM 0 HD1 TRP A 83 2.331 2.060 -1.444 1.00 0.42 H new ATOM 0 HE1 TRP A 83 3.453 3.956 -2.812 1.00 0.44 H new ATOM 0 HE3 TRP A 83 7.131 0.710 -0.541 1.00 0.42 H new ATOM 0 HZ2 TRP A 83 6.122 4.735 -3.401 1.00 0.48 H new ATOM 0 HZ3 TRP A 83 8.934 2.093 -1.549 1.00 0.46 H new ATOM 0 HH2 TRP A 83 8.490 4.042 -2.938 1.00 0.49 H new ATOM 1195 N ARG A 84 6.622 -0.244 1.738 1.00 0.56 N ATOM 1196 CA ARG A 84 8.030 -0.068 2.050 1.00 0.61 C ATOM 1197 C ARG A 84 8.865 -1.153 1.364 1.00 0.64 C ATOM 1198 O ARG A 84 8.555 -2.339 1.468 1.00 0.70 O ATOM 1199 CB ARG A 84 8.273 -0.129 3.560 1.00 0.68 C ATOM 1200 CG ARG A 84 7.632 1.068 4.265 1.00 0.84 C ATOM 1201 CD ARG A 84 7.655 0.886 5.785 1.00 1.11 C ATOM 1202 NE ARG A 84 6.323 0.455 6.263 1.00 1.92 N ATOM 1203 CZ ARG A 84 6.017 0.241 7.560 1.00 2.33 C ATOM 1204 NH1 ARG A 84 6.948 0.419 8.522 1.00 2.45 N ATOM 1205 NH2 ARG A 84 4.793 -0.142 7.875 1.00 3.80 N ATOM 0 H ARG A 84 6.342 -1.208 1.556 1.00 0.56 H new ATOM 0 HA ARG A 84 8.329 0.914 1.684 1.00 0.61 H new ATOM 0 HB2 ARG A 84 7.862 -1.055 3.961 1.00 0.68 H new ATOM 0 HB3 ARG A 84 9.344 -0.143 3.760 1.00 0.68 H new ATOM 0 HG2 ARG A 84 8.164 1.981 3.996 1.00 0.84 H new ATOM 0 HG3 ARG A 84 6.603 1.187 3.925 1.00 0.84 H new ATOM 0 HD2 ARG A 84 8.406 0.145 6.060 1.00 1.11 H new ATOM 0 HD3 ARG A 84 7.938 1.821 6.267 1.00 1.11 H new ATOM 0 HE ARG A 84 5.590 0.310 5.569 1.00 1.92 H new ATOM 0 HH11 ARG A 84 7.890 0.717 8.271 1.00 2.45 H new ATOM 0 HH12 ARG A 84 6.709 0.255 9.500 1.00 2.45 H new ATOM 0 HH21 ARG A 84 4.095 -0.272 7.143 1.00 3.80 H new ATOM 0 HH22 ARG A 84 4.546 -0.308 8.851 1.00 3.80 H new ATOM 1219 N ALA A 85 9.906 -0.706 0.677 1.00 0.69 N ATOM 1220 CA ALA A 85 10.787 -1.623 -0.027 1.00 0.76 C ATOM 1221 C ALA A 85 12.193 -1.530 0.569 1.00 0.84 C ATOM 1222 O ALA A 85 12.542 -0.529 1.192 1.00 0.85 O ATOM 1223 CB ALA A 85 10.766 -1.305 -1.523 1.00 0.77 C ATOM 0 H ALA A 85 10.159 0.278 0.593 1.00 0.69 H new ATOM 0 HA ALA A 85 10.445 -2.651 0.092 1.00 0.76 H new ATOM 0 HB1 ALA A 85 11.427 -1.993 -2.051 1.00 0.77 H new ATOM 0 HB2 ALA A 85 9.750 -1.414 -1.904 1.00 0.77 H new ATOM 0 HB3 ALA A 85 11.106 -0.282 -1.682 1.00 0.77 H new ATOM 1229 N VAL A 86 12.962 -2.588 0.357 1.00 1.26 N ATOM 1230 CA VAL A 86 14.323 -2.639 0.865 1.00 1.40 C ATOM 1231 C VAL A 86 15.301 -2.688 -0.311 1.00 1.86 C ATOM 1232 O VAL A 86 14.975 -3.222 -1.371 1.00 2.52 O ATOM 1233 CB VAL A 86 14.480 -3.821 1.823 1.00 1.73 C ATOM 1234 CG1 VAL A 86 14.446 -5.150 1.064 1.00 2.73 C ATOM 1235 CG2 VAL A 86 15.763 -3.693 2.647 1.00 2.90 C ATOM 0 H VAL A 86 12.669 -3.417 -0.160 1.00 1.26 H new ATOM 0 HA VAL A 86 14.550 -1.741 1.439 1.00 1.40 H new ATOM 0 HB VAL A 86 13.636 -3.807 2.513 1.00 1.73 H new ATOM 0 HG11 VAL A 86 14.560 -5.974 1.768 1.00 2.73 H new ATOM 0 HG12 VAL A 86 13.494 -5.247 0.543 1.00 2.73 H new ATOM 0 HG13 VAL A 86 15.260 -5.176 0.340 1.00 2.73 H new ATOM 0 HG21 VAL A 86 15.850 -4.546 3.320 1.00 2.90 H new ATOM 0 HG22 VAL A 86 16.624 -3.669 1.979 1.00 2.90 H new ATOM 0 HG23 VAL A 86 15.730 -2.773 3.230 1.00 2.90 H new ATOM 1245 N SER A 87 16.478 -2.124 -0.085 1.00 1.90 N ATOM 1246 CA SER A 87 17.504 -2.097 -1.113 1.00 2.45 C ATOM 1247 C SER A 87 18.655 -3.028 -0.727 1.00 2.21 C ATOM 1248 O SER A 87 19.077 -3.863 -1.526 1.00 2.89 O ATOM 1249 CB SER A 87 18.024 -0.676 -1.334 1.00 3.18 C ATOM 1250 OG SER A 87 17.301 0.004 -2.357 1.00 4.04 O ATOM 0 H SER A 87 16.744 -1.682 0.795 1.00 1.90 H new ATOM 0 HA SER A 87 17.062 -2.443 -2.047 1.00 2.45 H new ATOM 0 HB2 SER A 87 17.950 -0.114 -0.403 1.00 3.18 H new ATOM 0 HB3 SER A 87 19.080 -0.714 -1.600 1.00 3.18 H new ATOM 0 HG SER A 87 17.662 0.908 -2.467 1.00 4.04 H new ATOM 1256 N SER A 88 19.130 -2.856 0.498 1.00 2.46 N ATOM 1257 CA SER A 88 20.223 -3.670 0.999 1.00 2.47 C ATOM 1258 C SER A 88 19.987 -4.015 2.470 1.00 2.48 C ATOM 1259 O SER A 88 19.835 -5.184 2.821 1.00 3.31 O ATOM 1260 CB SER A 88 21.565 -2.955 0.830 1.00 3.85 C ATOM 1261 OG SER A 88 22.492 -3.730 0.074 1.00 4.19 O ATOM 0 H SER A 88 18.777 -2.164 1.159 1.00 2.46 H new ATOM 0 HA SER A 88 20.257 -4.591 0.418 1.00 2.47 H new ATOM 0 HB2 SER A 88 21.405 -1.997 0.335 1.00 3.85 H new ATOM 0 HB3 SER A 88 21.988 -2.741 1.812 1.00 3.85 H new ATOM 0 HG SER A 88 23.335 -3.238 -0.013 1.00 4.19 H new ATOM 1267 N ASP A 89 19.963 -2.976 3.292 1.00 2.93 N ATOM 1268 CA ASP A 89 19.747 -3.155 4.718 1.00 3.95 C ATOM 1269 C ASP A 89 19.670 -1.784 5.393 1.00 3.86 C ATOM 1270 O ASP A 89 18.835 -1.566 6.270 1.00 5.04 O ATOM 1271 CB ASP A 89 20.901 -3.931 5.356 1.00 5.21 C ATOM 1272 CG ASP A 89 20.482 -4.977 6.392 1.00 6.92 C ATOM 1273 OD1 ASP A 89 19.269 -5.277 6.437 1.00 7.82 O ATOM 1274 OD2 ASP A 89 21.383 -5.452 7.115 1.00 7.80 O ATOM 0 H ASP A 89 20.090 -2.008 2.998 1.00 2.93 H new ATOM 0 HA ASP A 89 18.820 -3.712 4.852 1.00 3.95 H new ATOM 0 HB2 ASP A 89 21.465 -4.429 4.567 1.00 5.21 H new ATOM 0 HB3 ASP A 89 21.577 -3.221 5.832 1.00 5.21 H new ATOM 1279 N THR A 90 20.552 -0.896 4.960 1.00 3.00 N ATOM 1280 CA THR A 90 20.594 0.448 5.511 1.00 3.20 C ATOM 1281 C THR A 90 20.183 1.472 4.452 1.00 2.41 C ATOM 1282 O THR A 90 20.918 2.421 4.182 1.00 3.35 O ATOM 1283 CB THR A 90 21.997 0.685 6.073 1.00 4.31 C ATOM 1284 OG1 THR A 90 22.796 0.934 4.920 1.00 4.11 O ATOM 1285 CG2 THR A 90 22.606 -0.581 6.681 1.00 5.42 C ATOM 0 H THR A 90 21.244 -1.081 4.233 1.00 3.00 H new ATOM 0 HA THR A 90 19.878 0.564 6.325 1.00 3.20 H new ATOM 0 HB THR A 90 21.957 1.469 6.830 1.00 4.31 H new ATOM 0 HG1 THR A 90 22.543 1.795 4.526 1.00 4.11 H new ATOM 0 HG21 THR A 90 23.601 -0.358 7.065 1.00 5.42 H new ATOM 0 HG22 THR A 90 21.974 -0.934 7.496 1.00 5.42 H new ATOM 0 HG23 THR A 90 22.677 -1.354 5.916 1.00 5.42 H new ATOM 1293 N HIS A 91 19.009 1.246 3.880 1.00 1.93 N ATOM 1294 CA HIS A 91 18.491 2.138 2.856 1.00 1.88 C ATOM 1295 C HIS A 91 17.034 1.783 2.555 1.00 1.32 C ATOM 1296 O HIS A 91 16.712 1.356 1.448 1.00 1.44 O ATOM 1297 CB HIS A 91 19.378 2.108 1.610 1.00 3.04 C ATOM 1298 CG HIS A 91 18.971 3.095 0.542 1.00 4.02 C ATOM 1299 ND1 HIS A 91 18.214 4.221 0.812 1.00 4.38 N ATOM 1300 CD2 HIS A 91 19.225 3.114 -0.798 1.00 5.58 C ATOM 1301 CE1 HIS A 91 18.026 4.880 -0.322 1.00 5.79 C ATOM 1302 NE2 HIS A 91 18.652 4.192 -1.318 1.00 6.44 N ATOM 0 H HIS A 91 18.402 0.458 4.106 1.00 1.93 H new ATOM 0 HA HIS A 91 18.510 3.165 3.220 1.00 1.88 H new ATOM 0 HB2 HIS A 91 20.408 2.311 1.905 1.00 3.04 H new ATOM 0 HB3 HIS A 91 19.360 1.103 1.188 1.00 3.04 H new ATOM 0 HD2 HIS A 91 19.796 2.377 -1.343 1.00 5.58 H new ATOM 0 HE1 HIS A 91 17.474 5.801 -0.437 1.00 5.79 H new ATOM 0 HE2 HIS A 91 18.676 4.461 -2.301 1.00 6.44 H new ATOM 1310 N PRO A 92 16.170 1.978 3.588 1.00 1.16 N ATOM 1311 CA PRO A 92 14.754 1.682 3.445 1.00 1.08 C ATOM 1312 C PRO A 92 14.052 2.755 2.610 1.00 0.99 C ATOM 1313 O PRO A 92 14.315 3.945 2.775 1.00 1.17 O ATOM 1314 CB PRO A 92 14.225 1.596 4.867 1.00 1.63 C ATOM 1315 CG PRO A 92 15.252 2.301 5.738 1.00 1.93 C ATOM 1316 CD PRO A 92 16.516 2.481 4.913 1.00 1.68 C ATOM 0 HA PRO A 92 14.570 0.751 2.909 1.00 1.08 H new ATOM 0 HB2 PRO A 92 13.249 2.074 4.950 1.00 1.63 H new ATOM 0 HB3 PRO A 92 14.099 0.558 5.175 1.00 1.63 H new ATOM 0 HG2 PRO A 92 14.872 3.267 6.071 1.00 1.93 H new ATOM 0 HG3 PRO A 92 15.460 1.715 6.633 1.00 1.93 H new ATOM 0 HD2 PRO A 92 16.817 3.528 4.873 1.00 1.68 H new ATOM 0 HD3 PRO A 92 17.351 1.926 5.341 1.00 1.68 H new ATOM 1324 N ILE A 93 13.173 2.294 1.731 1.00 0.85 N ATOM 1325 CA ILE A 93 12.432 3.199 0.870 1.00 0.83 C ATOM 1326 C ILE A 93 10.938 3.085 1.184 1.00 0.73 C ATOM 1327 O ILE A 93 10.280 2.141 0.750 1.00 1.03 O ATOM 1328 CB ILE A 93 12.773 2.942 -0.599 1.00 0.97 C ATOM 1329 CG1 ILE A 93 12.994 1.450 -0.857 1.00 1.74 C ATOM 1330 CG2 ILE A 93 13.974 3.783 -1.037 1.00 2.52 C ATOM 1331 CD1 ILE A 93 13.155 1.171 -2.352 1.00 2.74 C ATOM 0 H ILE A 93 12.958 1.306 1.597 1.00 0.85 H new ATOM 0 HA ILE A 93 12.722 4.232 1.064 1.00 0.83 H new ATOM 0 HB ILE A 93 11.923 3.252 -1.207 1.00 0.97 H new ATOM 0 HG12 ILE A 93 13.882 1.112 -0.323 1.00 1.74 H new ATOM 0 HG13 ILE A 93 12.151 0.881 -0.466 1.00 1.74 H new ATOM 0 HG21 ILE A 93 14.196 3.582 -2.085 1.00 2.52 H new ATOM 0 HG22 ILE A 93 13.743 4.841 -0.912 1.00 2.52 H new ATOM 0 HG23 ILE A 93 14.840 3.526 -0.427 1.00 2.52 H new ATOM 0 HD11 ILE A 93 13.311 0.104 -2.508 1.00 2.74 H new ATOM 0 HD12 ILE A 93 12.256 1.488 -2.880 1.00 2.74 H new ATOM 0 HD13 ILE A 93 14.014 1.723 -2.735 1.00 2.74 H new ATOM 1343 N THR A 94 10.447 4.060 1.934 1.00 0.65 N ATOM 1344 CA THR A 94 9.045 4.081 2.310 1.00 0.57 C ATOM 1345 C THR A 94 8.205 4.727 1.205 1.00 0.49 C ATOM 1346 O THR A 94 8.748 5.223 0.219 1.00 0.68 O ATOM 1347 CB THR A 94 8.926 4.794 3.658 1.00 0.74 C ATOM 1348 OG1 THR A 94 9.061 6.175 3.334 1.00 1.16 O ATOM 1349 CG2 THR A 94 10.116 4.510 4.577 1.00 1.01 C ATOM 0 H THR A 94 10.996 4.842 2.292 1.00 0.65 H new ATOM 0 HA THR A 94 8.653 3.071 2.425 1.00 0.57 H new ATOM 0 HB THR A 94 8.004 4.486 4.151 1.00 0.74 H new ATOM 0 HG1 THR A 94 8.994 6.711 4.152 1.00 1.16 H new ATOM 0 HG21 THR A 94 9.982 5.040 5.520 1.00 1.01 H new ATOM 0 HG22 THR A 94 10.180 3.439 4.768 1.00 1.01 H new ATOM 0 HG23 THR A 94 11.035 4.849 4.098 1.00 1.01 H new ATOM 1357 N GLY A 95 6.896 4.701 1.408 1.00 0.61 N ATOM 1358 CA GLY A 95 5.978 5.277 0.442 1.00 0.53 C ATOM 1359 C GLY A 95 4.524 5.052 0.865 1.00 0.48 C ATOM 1360 O GLY A 95 4.206 4.046 1.497 1.00 0.50 O ATOM 0 H GLY A 95 6.450 4.290 2.228 1.00 0.61 H new ATOM 0 HA2 GLY A 95 6.171 6.345 0.344 1.00 0.53 H new ATOM 0 HA3 GLY A 95 6.149 4.831 -0.538 1.00 0.53 H new ATOM 1364 N SER A 96 3.680 6.005 0.499 1.00 0.55 N ATOM 1365 CA SER A 96 2.269 5.923 0.832 1.00 0.54 C ATOM 1366 C SER A 96 1.422 6.373 -0.361 1.00 0.52 C ATOM 1367 O SER A 96 1.845 7.224 -1.141 1.00 0.63 O ATOM 1368 CB SER A 96 1.943 6.772 2.063 1.00 0.65 C ATOM 1369 OG SER A 96 3.102 7.409 2.594 1.00 0.89 O ATOM 0 H SER A 96 3.947 6.838 -0.025 1.00 0.55 H new ATOM 0 HA SER A 96 2.033 4.885 1.066 1.00 0.54 H new ATOM 0 HB2 SER A 96 1.204 7.528 1.797 1.00 0.65 H new ATOM 0 HB3 SER A 96 1.493 6.141 2.829 1.00 0.65 H new ATOM 0 HG SER A 96 2.852 7.943 3.377 1.00 0.89 H new ATOM 1375 N VAL A 97 0.242 5.781 -0.464 1.00 0.45 N ATOM 1376 CA VAL A 97 -0.667 6.109 -1.549 1.00 0.43 C ATOM 1377 C VAL A 97 -2.062 6.373 -0.977 1.00 0.41 C ATOM 1378 O VAL A 97 -2.748 5.446 -0.550 1.00 0.38 O ATOM 1379 CB VAL A 97 -0.653 4.997 -2.599 1.00 0.44 C ATOM 1380 CG1 VAL A 97 -1.177 5.505 -3.944 1.00 0.64 C ATOM 1381 CG2 VAL A 97 0.748 4.400 -2.747 1.00 0.48 C ATOM 0 H VAL A 97 -0.106 5.076 0.186 1.00 0.45 H new ATOM 0 HA VAL A 97 -0.344 7.019 -2.055 1.00 0.43 H new ATOM 0 HB VAL A 97 -1.320 4.206 -2.257 1.00 0.44 H new ATOM 0 HG11 VAL A 97 -1.156 4.694 -4.672 1.00 0.64 H new ATOM 0 HG12 VAL A 97 -2.201 5.860 -3.825 1.00 0.64 H new ATOM 0 HG13 VAL A 97 -0.548 6.323 -4.294 1.00 0.64 H new ATOM 0 HG21 VAL A 97 0.730 3.612 -3.500 1.00 0.48 H new ATOM 0 HG22 VAL A 97 1.445 5.180 -3.055 1.00 0.48 H new ATOM 0 HG23 VAL A 97 1.068 3.983 -1.792 1.00 0.48 H new ATOM 1391 N THR A 98 -2.441 7.643 -0.987 1.00 0.44 N ATOM 1392 CA THR A 98 -3.740 8.041 -0.475 1.00 0.44 C ATOM 1393 C THR A 98 -4.805 7.913 -1.567 1.00 0.40 C ATOM 1394 O THR A 98 -4.545 8.213 -2.731 1.00 0.40 O ATOM 1395 CB THR A 98 -3.614 9.458 0.087 1.00 0.53 C ATOM 1396 OG1 THR A 98 -4.810 9.641 0.840 1.00 0.57 O ATOM 1397 CG2 THR A 98 -3.692 10.530 -1.002 1.00 0.53 C ATOM 0 H THR A 98 -1.870 8.410 -1.342 1.00 0.44 H new ATOM 0 HA THR A 98 -4.065 7.384 0.332 1.00 0.44 H new ATOM 0 HB THR A 98 -2.669 9.553 0.622 1.00 0.53 H new ATOM 0 HG1 THR A 98 -4.810 10.535 1.241 1.00 0.57 H new ATOM 0 HG21 THR A 98 -3.597 11.517 -0.549 1.00 0.53 H new ATOM 0 HG22 THR A 98 -2.884 10.381 -1.718 1.00 0.53 H new ATOM 0 HG23 THR A 98 -4.650 10.457 -1.516 1.00 0.53 H new ATOM 1405 N PHE A 99 -5.982 7.468 -1.152 1.00 0.39 N ATOM 1406 CA PHE A 99 -7.088 7.297 -2.079 1.00 0.37 C ATOM 1407 C PHE A 99 -8.430 7.510 -1.377 1.00 0.39 C ATOM 1408 O PHE A 99 -8.576 7.191 -0.198 1.00 0.42 O ATOM 1409 CB PHE A 99 -7.019 5.858 -2.597 1.00 0.34 C ATOM 1410 CG PHE A 99 -7.531 4.814 -1.603 1.00 0.39 C ATOM 1411 CD1 PHE A 99 -8.864 4.707 -1.355 1.00 1.90 C ATOM 1412 CD2 PHE A 99 -6.652 3.993 -0.966 1.00 1.51 C ATOM 1413 CE1 PHE A 99 -9.338 3.738 -0.432 1.00 1.98 C ATOM 1414 CE2 PHE A 99 -7.127 3.024 -0.043 1.00 1.46 C ATOM 1415 CZ PHE A 99 -8.460 2.917 0.204 1.00 0.55 C ATOM 0 H PHE A 99 -6.194 7.220 -0.185 1.00 0.39 H new ATOM 0 HA PHE A 99 -7.012 8.025 -2.887 1.00 0.37 H new ATOM 0 HB2 PHE A 99 -7.600 5.785 -3.516 1.00 0.34 H new ATOM 0 HB3 PHE A 99 -5.986 5.624 -2.854 1.00 0.34 H new ATOM 0 HD1 PHE A 99 -9.562 5.359 -1.860 1.00 1.90 H new ATOM 0 HD2 PHE A 99 -5.593 4.078 -1.162 1.00 1.51 H new ATOM 0 HE1 PHE A 99 -10.396 3.653 -0.235 1.00 1.98 H new ATOM 0 HE2 PHE A 99 -6.430 2.372 0.463 1.00 1.46 H new ATOM 0 HZ PHE A 99 -8.822 2.180 0.906 1.00 0.55 H new ATOM 1425 N LYS A 100 -9.377 8.048 -2.131 1.00 0.40 N ATOM 1426 CA LYS A 100 -10.702 8.309 -1.596 1.00 0.42 C ATOM 1427 C LYS A 100 -11.684 7.278 -2.157 1.00 0.46 C ATOM 1428 O LYS A 100 -11.391 6.609 -3.147 1.00 0.50 O ATOM 1429 CB LYS A 100 -11.113 9.758 -1.863 1.00 0.46 C ATOM 1430 CG LYS A 100 -10.231 10.731 -1.078 1.00 0.47 C ATOM 1431 CD LYS A 100 -11.071 11.833 -0.431 1.00 1.38 C ATOM 1432 CE LYS A 100 -10.179 12.890 0.222 1.00 1.80 C ATOM 1433 NZ LYS A 100 -10.319 12.849 1.694 1.00 3.27 N ATOM 0 H LYS A 100 -9.253 8.310 -3.109 1.00 0.40 H new ATOM 0 HA LYS A 100 -10.704 8.197 -0.512 1.00 0.42 H new ATOM 0 HB2 LYS A 100 -11.036 9.971 -2.929 1.00 0.46 H new ATOM 0 HB3 LYS A 100 -12.157 9.901 -1.584 1.00 0.46 H new ATOM 0 HG2 LYS A 100 -9.681 10.189 -0.309 1.00 0.47 H new ATOM 0 HG3 LYS A 100 -9.492 11.176 -1.744 1.00 0.47 H new ATOM 0 HD2 LYS A 100 -11.705 12.302 -1.184 1.00 1.38 H new ATOM 0 HD3 LYS A 100 -11.733 11.398 0.317 1.00 1.38 H new ATOM 0 HE2 LYS A 100 -9.139 12.718 -0.055 1.00 1.80 H new ATOM 0 HE3 LYS A 100 -10.448 13.880 -0.147 1.00 1.80 H new ATOM 0 HZ1 LYS A 100 -9.407 13.084 2.136 1.00 3.27 H new ATOM 0 HZ2 LYS A 100 -11.037 13.539 1.994 1.00 3.27 H new ATOM 0 HZ3 LYS A 100 -10.611 11.895 1.989 1.00 3.27 H new ATOM 1447 N VAL A 101 -12.831 7.182 -1.501 1.00 0.49 N ATOM 1448 CA VAL A 101 -13.859 6.244 -1.921 1.00 0.58 C ATOM 1449 C VAL A 101 -15.237 6.849 -1.648 1.00 0.55 C ATOM 1450 O VAL A 101 -15.557 7.183 -0.507 1.00 0.51 O ATOM 1451 CB VAL A 101 -13.649 4.895 -1.231 1.00 0.65 C ATOM 1452 CG1 VAL A 101 -14.793 3.932 -1.554 1.00 0.78 C ATOM 1453 CG2 VAL A 101 -12.297 4.288 -1.611 1.00 0.76 C ATOM 0 H VAL A 101 -13.072 7.739 -0.681 1.00 0.49 H new ATOM 0 HA VAL A 101 -13.793 6.058 -2.993 1.00 0.58 H new ATOM 0 HB VAL A 101 -13.647 5.066 -0.154 1.00 0.65 H new ATOM 0 HG11 VAL A 101 -14.620 2.980 -1.052 1.00 0.78 H new ATOM 0 HG12 VAL A 101 -15.735 4.358 -1.210 1.00 0.78 H new ATOM 0 HG13 VAL A 101 -14.840 3.771 -2.631 1.00 0.78 H new ATOM 0 HG21 VAL A 101 -12.174 3.330 -1.107 1.00 0.76 H new ATOM 0 HG22 VAL A 101 -12.256 4.138 -2.690 1.00 0.76 H new ATOM 0 HG23 VAL A 101 -11.497 4.963 -1.308 1.00 0.76 H new ATOM 1463 N LYS A 102 -16.017 6.971 -2.712 1.00 0.64 N ATOM 1464 CA LYS A 102 -17.354 7.529 -2.600 1.00 0.67 C ATOM 1465 C LYS A 102 -18.372 6.390 -2.529 1.00 0.77 C ATOM 1466 O LYS A 102 -19.430 6.537 -1.918 1.00 1.23 O ATOM 1467 CB LYS A 102 -17.617 8.520 -3.736 1.00 0.76 C ATOM 1468 CG LYS A 102 -16.567 9.632 -3.748 1.00 0.85 C ATOM 1469 CD LYS A 102 -17.179 10.967 -3.317 1.00 1.17 C ATOM 1470 CE LYS A 102 -16.096 11.940 -2.846 1.00 1.53 C ATOM 1471 NZ LYS A 102 -16.100 12.047 -1.371 1.00 2.39 N ATOM 1472 OXT LYS A 102 -18.062 5.306 -2.040 1.00 1.00 O ATOM 0 H LYS A 102 -15.749 6.693 -3.656 1.00 0.64 H new ATOM 0 HA LYS A 102 -17.452 8.103 -1.678 1.00 0.67 H new ATOM 0 HB2 LYS A 102 -17.606 7.995 -4.691 1.00 0.76 H new ATOM 0 HB3 LYS A 102 -18.610 8.954 -3.622 1.00 0.76 H new ATOM 0 HG2 LYS A 102 -15.747 9.371 -3.079 1.00 0.85 H new ATOM 0 HG3 LYS A 102 -16.144 9.727 -4.748 1.00 0.85 H new ATOM 0 HD2 LYS A 102 -17.729 11.405 -4.150 1.00 1.17 H new ATOM 0 HD3 LYS A 102 -17.897 10.800 -2.514 1.00 1.17 H new ATOM 0 HE2 LYS A 102 -15.119 11.599 -3.189 1.00 1.53 H new ATOM 0 HE3 LYS A 102 -16.264 12.922 -3.288 1.00 1.53 H new ATOM 0 HZ1 LYS A 102 -15.359 12.711 -1.069 1.00 2.39 H new ATOM 0 HZ2 LYS A 102 -17.027 12.393 -1.051 1.00 2.39 H new ATOM 0 HZ3 LYS A 102 -15.917 11.112 -0.955 1.00 2.39 H new TER 1486 LYS A 102 HETATM 1487 CU CU A 103 18.597 2.001 -4.982 1.00 0.91 CU