USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 888 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 Single : A 29 SER OG : rot 29:sc= 0.377 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 152:sc= 0.603 (180deg=0.214) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -134:sc= 0.302 (180deg=-1.17!) USER MOD Single : A 41 MET CE :methyl -144:sc= -0.24 (180deg=-1.93!) USER MOD Single : A 44 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0356) USER MOD Single : A 46 ASN : amide:sc= -0.0376 X(o=-0.038,f=-0.022) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 176:sc= 0.385 (180deg=0.361) USER MOD Single : A 58 LYS NZ :NH3+ 164:sc= -0.0294 (180deg=-0.244) USER MOD Single : A 64 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0139) USER MOD Single : A 65 SER OG : rot 68:sc= 0.695 USER MOD Single : A 71 LYS NZ :NH3+ -144:sc= 1.18 (180deg=-0.317!) USER MOD Single : A 79 THR OG1 : rot 129:sc= 0.00431 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 160:sc= 1.29 (180deg=0.336) USER MOD Single : A 86 LYS NZ :NH3+ 165:sc= 1.19 (180deg=1.11) USER MOD Single : A 87 LYS NZ :NH3+ -167:sc= -0.056 (180deg=-0.257) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 158:sc= -1.31 (180deg=-2.28) USER MOD Single : A 95 LYS NZ :NH3+ -170:sc= -0.0024 (180deg=-0.138) USER MOD Single : A 96 LYS NZ :NH3+ 137:sc= 1.25 (180deg=1.13) USER MOD Single : A 97 ASN : amide:sc= -0.462 X(o=-0.46,f=-0.58) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot -111:sc= 0.572 USER MOD Single : A 107 SER OG : rot 160:sc= 0.0172 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 161:sc= 1.25 (180deg=0.91) USER MOD Single : A 119 SER OG : rot 45:sc= -1.59! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 22 -4.768 12.578 -3.924 1.00 1.16 N ATOM 2 CA GLY A 22 -5.194 11.523 -2.973 1.00 1.05 C ATOM 3 C GLY A 22 -4.500 10.208 -3.246 1.00 0.87 C ATOM 4 O GLY A 22 -4.956 9.420 -4.079 1.00 0.89 O ATOM 0 HA2 GLY A 22 -4.978 11.843 -1.954 1.00 1.05 H new ATOM 0 HA3 GLY A 22 -6.273 11.386 -3.042 1.00 1.05 H new ATOM 7 N LEU A 23 -3.398 9.967 -2.549 1.00 0.75 N ATOM 8 CA LEU A 23 -2.615 8.760 -2.753 1.00 0.62 C ATOM 9 C LEU A 23 -2.416 8.035 -1.427 1.00 0.51 C ATOM 10 O LEU A 23 -1.935 8.619 -0.455 1.00 0.59 O ATOM 11 CB LEU A 23 -1.259 9.122 -3.378 1.00 0.75 C ATOM 12 CG LEU A 23 -0.617 8.058 -4.283 1.00 1.22 C ATOM 13 CD1 LEU A 23 -0.195 6.831 -3.491 1.00 1.78 C ATOM 14 CD2 LEU A 23 -1.571 7.668 -5.402 1.00 1.91 C ATOM 0 H LEU A 23 -3.027 10.595 -1.836 1.00 0.75 H new ATOM 0 HA LEU A 23 -3.149 8.095 -3.432 1.00 0.62 H new ATOM 0 HB2 LEU A 23 -1.384 10.035 -3.960 1.00 0.75 H new ATOM 0 HB3 LEU A 23 -0.562 9.351 -2.572 1.00 0.75 H new ATOM 0 HG LEU A 23 0.281 8.493 -4.721 1.00 1.22 H new ATOM 0 HD11 LEU A 23 0.255 6.101 -4.164 1.00 1.78 H new ATOM 0 HD12 LEU A 23 0.531 7.120 -2.732 1.00 1.78 H new ATOM 0 HD13 LEU A 23 -1.068 6.391 -3.009 1.00 1.78 H new ATOM 0 HD21 LEU A 23 -1.102 6.914 -6.034 1.00 1.91 H new ATOM 0 HD22 LEU A 23 -2.488 7.263 -4.974 1.00 1.91 H new ATOM 0 HD23 LEU A 23 -1.808 8.547 -6.001 1.00 1.91 H new ATOM 26 N LEU A 24 -2.803 6.768 -1.387 1.00 0.40 N ATOM 27 CA LEU A 24 -2.625 5.949 -0.197 1.00 0.39 C ATOM 28 C LEU A 24 -1.729 4.763 -0.525 1.00 0.38 C ATOM 29 O LEU A 24 -1.819 4.195 -1.613 1.00 0.50 O ATOM 30 CB LEU A 24 -3.981 5.458 0.320 1.00 0.44 C ATOM 31 CG LEU A 24 -3.944 4.670 1.634 1.00 0.50 C ATOM 32 CD1 LEU A 24 -3.595 5.578 2.802 1.00 1.02 C ATOM 33 CD2 LEU A 24 -5.275 3.976 1.875 1.00 1.24 C ATOM 0 H LEU A 24 -3.244 6.283 -2.169 1.00 0.40 H new ATOM 0 HA LEU A 24 -2.156 6.550 0.582 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -4.633 6.321 0.453 1.00 0.44 H new ATOM 0 HB3 LEU A 24 -4.436 4.830 -0.446 1.00 0.44 H new ATOM 0 HG LEU A 24 -3.167 3.910 1.553 1.00 0.50 H new ATOM 0 HD11 LEU A 24 -3.575 4.995 3.723 1.00 1.02 H new ATOM 0 HD12 LEU A 24 -2.615 6.026 2.635 1.00 1.02 H new ATOM 0 HD13 LEU A 24 -4.344 6.365 2.887 1.00 1.02 H new ATOM 0 HD21 LEU A 24 -5.232 3.421 2.812 1.00 1.24 H new ATOM 0 HD22 LEU A 24 -6.069 4.721 1.931 1.00 1.24 H new ATOM 0 HD23 LEU A 24 -5.480 3.288 1.055 1.00 1.24 H new ATOM 45 N VAL A 25 -0.861 4.396 0.402 1.00 0.37 N ATOM 46 CA VAL A 25 0.057 3.292 0.179 1.00 0.40 C ATOM 47 C VAL A 25 -0.240 2.148 1.143 1.00 0.42 C ATOM 48 O VAL A 25 -0.426 2.363 2.339 1.00 0.56 O ATOM 49 CB VAL A 25 1.530 3.737 0.346 1.00 0.49 C ATOM 50 CG1 VAL A 25 2.487 2.590 0.042 1.00 0.95 C ATOM 51 CG2 VAL A 25 1.836 4.935 -0.541 1.00 0.84 C ATOM 0 H VAL A 25 -0.772 4.845 1.314 1.00 0.37 H new ATOM 0 HA VAL A 25 -0.087 2.951 -0.846 1.00 0.40 H new ATOM 0 HB VAL A 25 1.673 4.032 1.385 1.00 0.49 H new ATOM 0 HG11 VAL A 25 3.515 2.931 0.167 1.00 0.95 H new ATOM 0 HG12 VAL A 25 2.293 1.763 0.725 1.00 0.95 H new ATOM 0 HG13 VAL A 25 2.338 2.255 -0.984 1.00 0.95 H new ATOM 0 HG21 VAL A 25 2.877 5.230 -0.407 1.00 0.84 H new ATOM 0 HG22 VAL A 25 1.666 4.668 -1.584 1.00 0.84 H new ATOM 0 HG23 VAL A 25 1.185 5.766 -0.268 1.00 0.84 H new ATOM 61 N LEU A 26 -0.308 0.937 0.618 1.00 0.46 N ATOM 62 CA LEU A 26 -0.485 -0.243 1.447 1.00 0.57 C ATOM 63 C LEU A 26 0.642 -1.221 1.171 1.00 0.51 C ATOM 64 O LEU A 26 1.068 -1.376 0.029 1.00 0.58 O ATOM 65 CB LEU A 26 -1.835 -0.914 1.177 1.00 0.75 C ATOM 66 CG LEU A 26 -3.073 -0.068 1.487 1.00 0.74 C ATOM 67 CD1 LEU A 26 -4.341 -0.841 1.152 1.00 1.17 C ATOM 68 CD2 LEU A 26 -3.083 0.359 2.946 1.00 1.00 C ATOM 0 H LEU A 26 -0.243 0.745 -0.382 1.00 0.46 H new ATOM 0 HA LEU A 26 -0.466 0.062 2.493 1.00 0.57 H new ATOM 0 HB2 LEU A 26 -1.871 -1.206 0.127 1.00 0.75 H new ATOM 0 HB3 LEU A 26 -1.888 -1.831 1.765 1.00 0.75 H new ATOM 0 HG LEU A 26 -3.037 0.829 0.869 1.00 0.74 H new ATOM 0 HD11 LEU A 26 -5.212 -0.226 1.378 1.00 1.17 H new ATOM 0 HD12 LEU A 26 -4.342 -1.097 0.092 1.00 1.17 H new ATOM 0 HD13 LEU A 26 -4.378 -1.754 1.746 1.00 1.17 H new ATOM 0 HD21 LEU A 26 -3.971 0.959 3.143 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -3.093 -0.525 3.584 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -2.192 0.950 3.158 1.00 1.00 H new ATOM 80 N ILE A 27 1.134 -1.872 2.206 1.00 0.50 N ATOM 81 CA ILE A 27 2.241 -2.797 2.047 1.00 0.49 C ATOM 82 C ILE A 27 2.093 -3.989 2.982 1.00 0.51 C ATOM 83 O ILE A 27 1.784 -3.831 4.165 1.00 0.72 O ATOM 84 CB ILE A 27 3.602 -2.092 2.299 1.00 0.59 C ATOM 85 CG1 ILE A 27 4.759 -3.096 2.231 1.00 0.87 C ATOM 86 CG2 ILE A 27 3.595 -1.368 3.643 1.00 1.00 C ATOM 87 CD1 ILE A 27 6.125 -2.468 2.422 1.00 0.96 C ATOM 0 H ILE A 27 0.788 -1.780 3.161 1.00 0.50 H new ATOM 0 HA ILE A 27 2.222 -3.155 1.018 1.00 0.49 H new ATOM 0 HB ILE A 27 3.749 -1.352 1.513 1.00 0.59 H new ATOM 0 HG12 ILE A 27 4.610 -3.860 2.994 1.00 0.87 H new ATOM 0 HG13 ILE A 27 4.733 -3.601 1.265 1.00 0.87 H new ATOM 0 HG21 ILE A 27 4.558 -0.881 3.799 1.00 1.00 H new ATOM 0 HG22 ILE A 27 2.804 -0.618 3.648 1.00 1.00 H new ATOM 0 HG23 ILE A 27 3.418 -2.087 4.443 1.00 1.00 H new ATOM 0 HD11 ILE A 27 6.892 -3.240 2.361 1.00 0.96 H new ATOM 0 HD12 ILE A 27 6.296 -1.724 1.643 1.00 0.96 H new ATOM 0 HD13 ILE A 27 6.171 -1.987 3.399 1.00 0.96 H new ATOM 99 N TRP A 28 2.277 -5.184 2.445 1.00 0.45 N ATOM 100 CA TRP A 28 2.355 -6.363 3.280 1.00 0.48 C ATOM 101 C TRP A 28 3.567 -7.188 2.884 1.00 0.48 C ATOM 102 O TRP A 28 3.531 -7.980 1.941 1.00 0.49 O ATOM 103 CB TRP A 28 1.076 -7.199 3.172 1.00 0.56 C ATOM 104 CG TRP A 28 1.038 -8.345 4.141 1.00 0.89 C ATOM 105 CD1 TRP A 28 0.680 -8.289 5.456 1.00 1.53 C ATOM 106 CD2 TRP A 28 1.375 -9.712 3.875 1.00 1.15 C ATOM 107 NE1 TRP A 28 0.776 -9.536 6.023 1.00 2.09 N ATOM 108 CE2 TRP A 28 1.200 -10.426 5.074 1.00 1.83 C ATOM 109 CE3 TRP A 28 1.806 -10.401 2.738 1.00 1.19 C ATOM 110 CZ2 TRP A 28 1.443 -11.793 5.169 1.00 2.26 C ATOM 111 CZ3 TRP A 28 2.048 -11.758 2.835 1.00 1.61 C ATOM 112 CH2 TRP A 28 1.865 -12.441 4.042 1.00 2.06 C ATOM 0 H TRP A 28 2.374 -5.359 1.445 1.00 0.45 H new ATOM 0 HA TRP A 28 2.459 -6.050 4.319 1.00 0.48 H new ATOM 0 HB2 TRP A 28 0.213 -6.556 3.345 1.00 0.56 H new ATOM 0 HB3 TRP A 28 0.987 -7.586 2.157 1.00 0.56 H new ATOM 0 HD1 TRP A 28 0.367 -7.395 5.975 1.00 1.53 H new ATOM 0 HE1 TRP A 28 0.565 -9.762 6.995 1.00 2.09 H new ATOM 0 HE3 TRP A 28 1.947 -9.883 1.801 1.00 1.19 H new ATOM 0 HZ2 TRP A 28 1.303 -12.323 6.100 1.00 2.26 H new ATOM 0 HZ3 TRP A 28 2.384 -12.301 1.964 1.00 1.61 H new ATOM 0 HH2 TRP A 28 2.061 -13.502 4.084 1.00 2.06 H new ATOM 123 N SER A 29 4.652 -6.939 3.583 1.00 0.50 N ATOM 124 CA SER A 29 5.842 -7.753 3.504 1.00 0.54 C ATOM 125 C SER A 29 6.492 -7.766 4.874 1.00 0.60 C ATOM 126 O SER A 29 6.866 -6.702 5.372 1.00 0.87 O ATOM 127 CB SER A 29 6.801 -7.187 2.453 1.00 0.57 C ATOM 128 OG SER A 29 7.067 -5.815 2.693 1.00 1.29 O ATOM 0 H SER A 29 4.733 -6.155 4.230 1.00 0.50 H new ATOM 0 HA SER A 29 5.588 -8.770 3.205 1.00 0.54 H new ATOM 0 HB2 SER A 29 7.734 -7.750 2.467 1.00 0.57 H new ATOM 0 HB3 SER A 29 6.370 -7.309 1.459 1.00 0.57 H new ATOM 0 HG SER A 29 6.993 -5.630 3.653 1.00 1.29 H new ATOM 134 N ASN A 30 6.623 -8.918 5.512 1.00 0.65 N ATOM 135 CA ASN A 30 7.227 -8.919 6.835 1.00 0.69 C ATOM 136 C ASN A 30 8.741 -8.940 6.709 1.00 0.68 C ATOM 137 O ASN A 30 9.403 -9.939 6.995 1.00 0.75 O ATOM 138 CB ASN A 30 6.738 -10.107 7.669 1.00 0.81 C ATOM 139 CG ASN A 30 5.267 -9.997 8.029 1.00 1.55 C ATOM 140 OD1 ASN A 30 4.903 -9.375 9.028 1.00 2.33 O ATOM 141 ND2 ASN A 30 4.411 -10.623 7.237 1.00 2.23 N ATOM 0 H ASN A 30 6.333 -9.829 5.155 1.00 0.65 H new ATOM 0 HA ASN A 30 6.925 -8.008 7.352 1.00 0.69 H new ATOM 0 HB2 ASN A 30 6.905 -11.030 7.114 1.00 0.81 H new ATOM 0 HB3 ASN A 30 7.329 -10.173 8.583 1.00 0.81 H new ATOM 0 HD21 ASN A 30 3.413 -10.600 7.446 1.00 2.23 H new ATOM 0 HD22 ASN A 30 4.750 -11.128 6.418 1.00 2.23 H new ATOM 148 N ASP A 31 9.264 -7.814 6.256 1.00 0.63 N ATOM 149 CA ASP A 31 10.690 -7.551 6.227 1.00 0.64 C ATOM 150 C ASP A 31 10.986 -6.341 7.102 1.00 0.65 C ATOM 151 O ASP A 31 10.201 -5.392 7.125 1.00 0.78 O ATOM 152 CB ASP A 31 11.153 -7.315 4.792 1.00 0.67 C ATOM 153 CG ASP A 31 12.635 -7.037 4.702 1.00 0.72 C ATOM 154 OD1 ASP A 31 13.422 -7.990 4.515 1.00 1.45 O ATOM 155 OD2 ASP A 31 13.020 -5.865 4.823 1.00 1.13 O ATOM 0 H ASP A 31 8.700 -7.046 5.893 1.00 0.63 H new ATOM 0 HA ASP A 31 11.234 -8.412 6.614 1.00 0.64 H new ATOM 0 HB2 ASP A 31 10.913 -8.190 4.187 1.00 0.67 H new ATOM 0 HB3 ASP A 31 10.602 -6.475 4.369 1.00 0.67 H new ATOM 160 N LYS A 32 12.108 -6.358 7.808 1.00 0.69 N ATOM 161 CA LYS A 32 12.438 -5.265 8.717 1.00 0.77 C ATOM 162 C LYS A 32 12.746 -3.959 7.969 1.00 0.71 C ATOM 163 O LYS A 32 12.373 -2.878 8.430 1.00 0.77 O ATOM 164 CB LYS A 32 13.601 -5.636 9.659 1.00 0.97 C ATOM 165 CG LYS A 32 15.007 -5.530 9.064 1.00 1.52 C ATOM 166 CD LYS A 32 15.500 -6.844 8.466 1.00 2.06 C ATOM 167 CE LYS A 32 15.175 -6.954 6.986 1.00 2.28 C ATOM 168 NZ LYS A 32 15.589 -8.263 6.421 1.00 3.05 N ATOM 0 H LYS A 32 12.799 -7.107 7.771 1.00 0.69 H new ATOM 0 HA LYS A 32 11.550 -5.095 9.325 1.00 0.77 H new ATOM 0 HB2 LYS A 32 13.550 -4.992 10.537 1.00 0.97 H new ATOM 0 HB3 LYS A 32 13.450 -6.659 10.004 1.00 0.97 H new ATOM 0 HG2 LYS A 32 15.012 -4.761 8.292 1.00 1.52 H new ATOM 0 HG3 LYS A 32 15.701 -5.207 9.840 1.00 1.52 H new ATOM 0 HD2 LYS A 32 16.578 -6.925 8.607 1.00 2.06 H new ATOM 0 HD3 LYS A 32 15.045 -7.678 9.000 1.00 2.06 H new ATOM 0 HE2 LYS A 32 14.103 -6.818 6.839 1.00 2.28 H new ATOM 0 HE3 LYS A 32 15.675 -6.151 6.444 1.00 2.28 H new ATOM 0 HZ1 LYS A 32 14.976 -8.503 5.616 1.00 3.05 H new ATOM 0 HZ2 LYS A 32 16.576 -8.206 6.099 1.00 3.05 H new ATOM 0 HZ3 LYS A 32 15.505 -8.998 7.152 1.00 3.05 H new ATOM 182 N LYS A 33 13.393 -4.047 6.807 1.00 0.71 N ATOM 183 CA LYS A 33 13.843 -2.844 6.120 1.00 0.75 C ATOM 184 C LYS A 33 12.787 -2.333 5.144 1.00 0.64 C ATOM 185 O LYS A 33 12.620 -1.122 4.998 1.00 0.63 O ATOM 186 CB LYS A 33 15.188 -3.064 5.402 1.00 0.94 C ATOM 187 CG LYS A 33 15.130 -3.997 4.203 1.00 1.55 C ATOM 188 CD LYS A 33 16.445 -4.020 3.437 1.00 2.09 C ATOM 189 CE LYS A 33 17.595 -4.520 4.295 1.00 2.72 C ATOM 190 NZ LYS A 33 18.875 -4.556 3.539 1.00 3.16 N ATOM 0 H LYS A 33 13.613 -4.922 6.332 1.00 0.71 H new ATOM 0 HA LYS A 33 13.997 -2.081 6.883 1.00 0.75 H new ATOM 0 HB2 LYS A 33 15.570 -2.097 5.073 1.00 0.94 H new ATOM 0 HB3 LYS A 33 15.905 -3.463 6.120 1.00 0.94 H new ATOM 0 HG2 LYS A 33 14.888 -5.005 4.539 1.00 1.55 H new ATOM 0 HG3 LYS A 33 14.327 -3.682 3.536 1.00 1.55 H new ATOM 0 HD2 LYS A 33 16.343 -4.659 2.560 1.00 2.09 H new ATOM 0 HD3 LYS A 33 16.672 -3.017 3.076 1.00 2.09 H new ATOM 0 HE2 LYS A 33 17.706 -3.874 5.166 1.00 2.72 H new ATOM 0 HE3 LYS A 33 17.364 -5.519 4.666 1.00 2.72 H new ATOM 0 HZ1 LYS A 33 19.635 -4.902 4.159 1.00 3.16 H new ATOM 0 HZ2 LYS A 33 18.778 -5.192 2.722 1.00 3.16 H new ATOM 0 HZ3 LYS A 33 19.109 -3.599 3.207 1.00 3.16 H new ATOM 204 N LEU A 34 12.068 -3.248 4.491 1.00 0.62 N ATOM 205 CA LEU A 34 11.043 -2.863 3.517 1.00 0.61 C ATOM 206 C LEU A 34 10.002 -1.954 4.154 1.00 0.54 C ATOM 207 O LEU A 34 9.678 -0.892 3.619 1.00 0.61 O ATOM 208 CB LEU A 34 10.343 -4.090 2.919 1.00 0.66 C ATOM 209 CG LEU A 34 11.222 -5.002 2.051 1.00 0.80 C ATOM 210 CD1 LEU A 34 10.390 -6.121 1.438 1.00 1.22 C ATOM 211 CD2 LEU A 34 11.908 -4.196 0.960 1.00 1.59 C ATOM 0 H LEU A 34 12.175 -4.255 4.617 1.00 0.62 H new ATOM 0 HA LEU A 34 11.552 -2.326 2.717 1.00 0.61 H new ATOM 0 HB2 LEU A 34 9.931 -4.683 3.735 1.00 0.66 H new ATOM 0 HB3 LEU A 34 9.501 -3.748 2.317 1.00 0.66 H new ATOM 0 HG LEU A 34 11.987 -5.448 2.687 1.00 0.80 H new ATOM 0 HD11 LEU A 34 11.030 -6.757 0.826 1.00 1.22 H new ATOM 0 HD12 LEU A 34 9.939 -6.716 2.232 1.00 1.22 H new ATOM 0 HD13 LEU A 34 9.604 -5.692 0.816 1.00 1.22 H new ATOM 0 HD21 LEU A 34 12.527 -4.857 0.354 1.00 1.59 H new ATOM 0 HD22 LEU A 34 11.155 -3.724 0.329 1.00 1.59 H new ATOM 0 HD23 LEU A 34 12.534 -3.428 1.414 1.00 1.59 H new ATOM 223 N ILE A 35 9.494 -2.371 5.306 1.00 0.48 N ATOM 224 CA ILE A 35 8.481 -1.603 6.014 1.00 0.49 C ATOM 225 C ILE A 35 9.030 -0.241 6.428 1.00 0.48 C ATOM 226 O ILE A 35 8.421 0.792 6.155 1.00 0.53 O ATOM 227 CB ILE A 35 7.971 -2.352 7.268 1.00 0.55 C ATOM 228 CG1 ILE A 35 7.374 -3.706 6.873 1.00 0.61 C ATOM 229 CG2 ILE A 35 6.941 -1.511 8.014 1.00 0.64 C ATOM 230 CD1 ILE A 35 6.910 -4.535 8.054 1.00 1.01 C ATOM 0 H ILE A 35 9.768 -3.237 5.770 1.00 0.48 H new ATOM 0 HA ILE A 35 7.645 -1.466 5.329 1.00 0.49 H new ATOM 0 HB ILE A 35 8.816 -2.526 7.934 1.00 0.55 H new ATOM 0 HG12 ILE A 35 6.530 -3.540 6.203 1.00 0.61 H new ATOM 0 HG13 ILE A 35 8.119 -4.272 6.313 1.00 0.61 H new ATOM 0 HG21 ILE A 35 6.595 -2.055 8.893 1.00 0.64 H new ATOM 0 HG22 ILE A 35 7.396 -0.571 8.325 1.00 0.64 H new ATOM 0 HG23 ILE A 35 6.095 -1.305 7.358 1.00 0.64 H new ATOM 0 HD11 ILE A 35 6.499 -5.479 7.697 1.00 1.01 H new ATOM 0 HD12 ILE A 35 7.755 -4.733 8.714 1.00 1.01 H new ATOM 0 HD13 ILE A 35 6.142 -3.989 8.602 1.00 1.01 H new ATOM 242 N GLU A 36 10.202 -0.250 7.054 1.00 0.50 N ATOM 243 CA GLU A 36 10.785 0.968 7.604 1.00 0.53 C ATOM 244 C GLU A 36 11.128 1.973 6.503 1.00 0.48 C ATOM 245 O GLU A 36 10.918 3.177 6.659 1.00 0.51 O ATOM 246 CB GLU A 36 12.038 0.627 8.410 1.00 0.66 C ATOM 247 CG GLU A 36 12.407 1.692 9.424 1.00 1.22 C ATOM 248 CD GLU A 36 11.318 1.893 10.457 1.00 1.73 C ATOM 249 OE1 GLU A 36 10.481 2.800 10.281 1.00 2.62 O ATOM 250 OE2 GLU A 36 11.284 1.130 11.446 1.00 2.01 O ATOM 0 H GLU A 36 10.767 -1.088 7.193 1.00 0.50 H new ATOM 0 HA GLU A 36 10.045 1.429 8.258 1.00 0.53 H new ATOM 0 HB2 GLU A 36 11.882 -0.319 8.928 1.00 0.66 H new ATOM 0 HB3 GLU A 36 12.874 0.482 7.725 1.00 0.66 H new ATOM 0 HG2 GLU A 36 13.334 1.411 9.924 1.00 1.22 H new ATOM 0 HG3 GLU A 36 12.596 2.634 8.908 1.00 1.22 H new ATOM 257 N GLU A 37 11.640 1.470 5.386 1.00 0.48 N ATOM 258 CA GLU A 37 12.049 2.310 4.280 1.00 0.51 C ATOM 259 C GLU A 37 10.837 2.990 3.652 1.00 0.44 C ATOM 260 O GLU A 37 10.859 4.191 3.364 1.00 0.48 O ATOM 261 CB GLU A 37 12.771 1.456 3.243 1.00 0.65 C ATOM 262 CG GLU A 37 13.433 2.261 2.149 1.00 0.80 C ATOM 263 CD GLU A 37 14.631 3.046 2.644 1.00 0.91 C ATOM 264 OE1 GLU A 37 15.713 2.447 2.808 1.00 1.61 O ATOM 265 OE2 GLU A 37 14.504 4.267 2.863 1.00 1.55 O ATOM 0 H GLU A 37 11.781 0.472 5.227 1.00 0.48 H new ATOM 0 HA GLU A 37 12.723 3.085 4.646 1.00 0.51 H new ATOM 0 HB2 GLU A 37 13.526 0.851 3.745 1.00 0.65 H new ATOM 0 HB3 GLU A 37 12.058 0.766 2.793 1.00 0.65 H new ATOM 0 HG2 GLU A 37 13.748 1.590 1.350 1.00 0.80 H new ATOM 0 HG3 GLU A 37 12.705 2.949 1.719 1.00 0.80 H new ATOM 272 N ALA A 38 9.774 2.215 3.463 1.00 0.40 N ATOM 273 CA ALA A 38 8.550 2.718 2.857 1.00 0.42 C ATOM 274 C ALA A 38 7.918 3.812 3.712 1.00 0.39 C ATOM 275 O ALA A 38 7.373 4.782 3.184 1.00 0.42 O ATOM 276 CB ALA A 38 7.567 1.579 2.638 1.00 0.50 C ATOM 0 H ALA A 38 9.738 1.229 3.723 1.00 0.40 H new ATOM 0 HA ALA A 38 8.805 3.156 1.892 1.00 0.42 H new ATOM 0 HB1 ALA A 38 6.655 1.967 2.184 1.00 0.50 H new ATOM 0 HB2 ALA A 38 8.013 0.836 1.977 1.00 0.50 H new ATOM 0 HB3 ALA A 38 7.327 1.116 3.595 1.00 0.50 H new ATOM 282 N ARG A 39 8.005 3.654 5.034 1.00 0.41 N ATOM 283 CA ARG A 39 7.446 4.632 5.967 1.00 0.50 C ATOM 284 C ARG A 39 8.050 6.007 5.729 1.00 0.46 C ATOM 285 O ARG A 39 7.333 6.987 5.537 1.00 0.52 O ATOM 286 CB ARG A 39 7.695 4.214 7.421 1.00 0.62 C ATOM 287 CG ARG A 39 7.069 2.885 7.798 1.00 1.18 C ATOM 288 CD ARG A 39 7.403 2.497 9.229 1.00 1.43 C ATOM 289 NE ARG A 39 6.634 3.262 10.211 1.00 1.88 N ATOM 290 CZ ARG A 39 7.059 3.538 11.445 1.00 2.58 C ATOM 291 NH1 ARG A 39 8.298 3.234 11.811 1.00 2.84 N ATOM 292 NH2 ARG A 39 6.251 4.145 12.305 1.00 3.48 N ATOM 0 H ARG A 39 8.458 2.857 5.482 1.00 0.41 H new ATOM 0 HA ARG A 39 6.371 4.674 5.791 1.00 0.50 H new ATOM 0 HB2 ARG A 39 8.770 4.159 7.593 1.00 0.62 H new ATOM 0 HB3 ARG A 39 7.305 4.988 8.082 1.00 0.62 H new ATOM 0 HG2 ARG A 39 5.987 2.945 7.679 1.00 1.18 H new ATOM 0 HG3 ARG A 39 7.422 2.110 7.118 1.00 1.18 H new ATOM 0 HD2 ARG A 39 7.208 1.434 9.369 1.00 1.43 H new ATOM 0 HD3 ARG A 39 8.467 2.652 9.405 1.00 1.43 H new ATOM 0 HE ARG A 39 5.714 3.606 9.934 1.00 1.88 H new ATOM 0 HH11 ARG A 39 8.931 2.787 11.147 1.00 2.84 H new ATOM 0 HH12 ARG A 39 8.618 3.447 12.756 1.00 2.84 H new ATOM 0 HH21 ARG A 39 5.305 4.401 12.023 1.00 3.48 H new ATOM 0 HH22 ARG A 39 6.576 4.356 13.249 1.00 3.48 H new ATOM 306 N LYS A 40 9.376 6.058 5.711 1.00 0.45 N ATOM 307 CA LYS A 40 10.093 7.317 5.573 1.00 0.49 C ATOM 308 C LYS A 40 9.817 7.970 4.227 1.00 0.42 C ATOM 309 O LYS A 40 9.533 9.166 4.160 1.00 0.47 O ATOM 310 CB LYS A 40 11.597 7.095 5.732 1.00 0.62 C ATOM 311 CG LYS A 40 12.004 6.563 7.094 1.00 1.06 C ATOM 312 CD LYS A 40 13.515 6.398 7.216 1.00 1.58 C ATOM 313 CE LYS A 40 14.064 5.358 6.245 1.00 2.12 C ATOM 314 NZ LYS A 40 14.366 5.927 4.903 1.00 2.95 N ATOM 0 H LYS A 40 9.978 5.238 5.791 1.00 0.45 H new ATOM 0 HA LYS A 40 9.738 7.983 6.359 1.00 0.49 H new ATOM 0 HB2 LYS A 40 11.933 6.397 4.966 1.00 0.62 H new ATOM 0 HB3 LYS A 40 12.114 8.038 5.553 1.00 0.62 H new ATOM 0 HG2 LYS A 40 11.650 7.243 7.869 1.00 1.06 H new ATOM 0 HG3 LYS A 40 11.519 5.602 7.267 1.00 1.06 H new ATOM 0 HD2 LYS A 40 13.999 7.357 7.030 1.00 1.58 H new ATOM 0 HD3 LYS A 40 13.765 6.107 8.236 1.00 1.58 H new ATOM 0 HE2 LYS A 40 14.971 4.921 6.662 1.00 2.12 H new ATOM 0 HE3 LYS A 40 13.341 4.550 6.138 1.00 2.12 H new ATOM 0 HZ1 LYS A 40 13.988 5.298 4.166 1.00 2.95 H new ATOM 0 HZ2 LYS A 40 13.925 6.865 4.817 1.00 2.95 H new ATOM 0 HZ3 LYS A 40 15.396 6.016 4.787 1.00 2.95 H new ATOM 328 N MET A 41 9.882 7.184 3.160 1.00 0.39 N ATOM 329 CA MET A 41 9.771 7.728 1.811 1.00 0.41 C ATOM 330 C MET A 41 8.367 8.266 1.548 1.00 0.42 C ATOM 331 O MET A 41 8.202 9.330 0.949 1.00 0.52 O ATOM 332 CB MET A 41 10.130 6.669 0.770 1.00 0.48 C ATOM 333 CG MET A 41 10.515 7.264 -0.573 1.00 0.69 C ATOM 334 SD MET A 41 12.025 8.249 -0.475 1.00 1.10 S ATOM 335 CE MET A 41 12.177 8.812 -2.167 1.00 1.55 C ATOM 0 H MET A 41 10.010 6.173 3.201 1.00 0.39 H new ATOM 0 HA MET A 41 10.476 8.555 1.729 1.00 0.41 H new ATOM 0 HB2 MET A 41 10.957 6.065 1.144 1.00 0.48 H new ATOM 0 HB3 MET A 41 9.281 5.998 0.634 1.00 0.48 H new ATOM 0 HG2 MET A 41 10.653 6.462 -1.298 1.00 0.69 H new ATOM 0 HG3 MET A 41 9.700 7.888 -0.939 1.00 0.69 H new ATOM 0 HE1 MET A 41 13.230 8.848 -2.445 1.00 1.55 H new ATOM 0 HE2 MET A 41 11.650 8.124 -2.828 1.00 1.55 H new ATOM 0 HE3 MET A 41 11.743 9.808 -2.260 1.00 1.55 H new ATOM 345 N ALA A 42 7.359 7.534 2.006 1.00 0.40 N ATOM 346 CA ALA A 42 5.979 7.967 1.868 1.00 0.49 C ATOM 347 C ALA A 42 5.730 9.209 2.711 1.00 0.51 C ATOM 348 O ALA A 42 5.088 10.156 2.265 1.00 0.59 O ATOM 349 CB ALA A 42 5.034 6.846 2.270 1.00 0.58 C ATOM 0 H ALA A 42 7.474 6.636 2.477 1.00 0.40 H new ATOM 0 HA ALA A 42 5.791 8.217 0.824 1.00 0.49 H new ATOM 0 HB1 ALA A 42 4.003 7.183 2.162 1.00 0.58 H new ATOM 0 HB2 ALA A 42 5.202 5.981 1.628 1.00 0.58 H new ATOM 0 HB3 ALA A 42 5.219 6.569 3.308 1.00 0.58 H new ATOM 355 N GLU A 43 6.265 9.200 3.924 1.00 0.50 N ATOM 356 CA GLU A 43 6.144 10.333 4.833 1.00 0.60 C ATOM 357 C GLU A 43 6.795 11.575 4.228 1.00 0.62 C ATOM 358 O GLU A 43 6.319 12.695 4.417 1.00 0.73 O ATOM 359 CB GLU A 43 6.798 9.989 6.171 1.00 0.67 C ATOM 360 CG GLU A 43 6.599 11.036 7.251 1.00 0.97 C ATOM 361 CD GLU A 43 7.217 10.617 8.565 1.00 1.62 C ATOM 362 OE1 GLU A 43 8.316 11.108 8.898 1.00 2.16 O ATOM 363 OE2 GLU A 43 6.614 9.783 9.269 1.00 2.38 O ATOM 0 H GLU A 43 6.792 8.414 4.304 1.00 0.50 H new ATOM 0 HA GLU A 43 5.088 10.546 4.996 1.00 0.60 H new ATOM 0 HB2 GLU A 43 6.397 9.039 6.524 1.00 0.67 H new ATOM 0 HB3 GLU A 43 7.867 9.845 6.013 1.00 0.67 H new ATOM 0 HG2 GLU A 43 7.039 11.979 6.927 1.00 0.97 H new ATOM 0 HG3 GLU A 43 5.533 11.214 7.392 1.00 0.97 H new ATOM 370 N LYS A 44 7.876 11.362 3.482 1.00 0.58 N ATOM 371 CA LYS A 44 8.597 12.444 2.833 1.00 0.66 C ATOM 372 C LYS A 44 7.702 13.159 1.826 1.00 0.66 C ATOM 373 O LYS A 44 7.783 14.375 1.662 1.00 0.70 O ATOM 374 CB LYS A 44 9.836 11.891 2.129 1.00 0.76 C ATOM 375 CG LYS A 44 10.805 12.959 1.658 1.00 1.29 C ATOM 376 CD LYS A 44 11.420 13.707 2.829 1.00 1.69 C ATOM 377 CE LYS A 44 12.486 14.678 2.364 1.00 2.09 C ATOM 378 NZ LYS A 44 11.915 15.788 1.556 1.00 2.20 N ATOM 0 H LYS A 44 8.272 10.437 3.313 1.00 0.58 H new ATOM 0 HA LYS A 44 8.904 13.163 3.593 1.00 0.66 H new ATOM 0 HB2 LYS A 44 10.357 11.216 2.808 1.00 0.76 H new ATOM 0 HB3 LYS A 44 9.520 11.298 1.271 1.00 0.76 H new ATOM 0 HG2 LYS A 44 11.594 12.499 1.063 1.00 1.29 H new ATOM 0 HG3 LYS A 44 10.285 13.663 1.008 1.00 1.29 H new ATOM 0 HD2 LYS A 44 10.642 14.248 3.366 1.00 1.69 H new ATOM 0 HD3 LYS A 44 11.855 12.995 3.530 1.00 1.69 H new ATOM 0 HE2 LYS A 44 13.004 15.090 3.230 1.00 2.09 H new ATOM 0 HE3 LYS A 44 13.229 14.144 1.772 1.00 2.09 H new ATOM 0 HZ1 LYS A 44 12.664 16.474 1.330 1.00 2.20 H new ATOM 0 HZ2 LYS A 44 11.517 15.406 0.674 1.00 2.20 H new ATOM 0 HZ3 LYS A 44 11.164 16.262 2.098 1.00 2.20 H new ATOM 392 N ALA A 45 6.836 12.402 1.165 1.00 0.67 N ATOM 393 CA ALA A 45 5.930 12.963 0.171 1.00 0.74 C ATOM 394 C ALA A 45 4.552 13.223 0.774 1.00 0.73 C ATOM 395 O ALA A 45 3.573 13.423 0.052 1.00 0.81 O ATOM 396 CB ALA A 45 5.821 12.037 -1.028 1.00 0.82 C ATOM 0 H ALA A 45 6.742 11.395 1.300 1.00 0.67 H new ATOM 0 HA ALA A 45 6.338 13.917 -0.162 1.00 0.74 H new ATOM 0 HB1 ALA A 45 5.141 12.470 -1.761 1.00 0.82 H new ATOM 0 HB2 ALA A 45 6.805 11.907 -1.478 1.00 0.82 H new ATOM 0 HB3 ALA A 45 5.439 11.068 -0.706 1.00 0.82 H new ATOM 402 N ASN A 46 4.498 13.214 2.106 1.00 0.69 N ATOM 403 CA ASN A 46 3.269 13.469 2.860 1.00 0.72 C ATOM 404 C ASN A 46 2.189 12.448 2.503 1.00 0.67 C ATOM 405 O ASN A 46 1.030 12.793 2.273 1.00 0.84 O ATOM 406 CB ASN A 46 2.762 14.900 2.620 1.00 0.87 C ATOM 407 CG ASN A 46 1.840 15.392 3.724 1.00 1.46 C ATOM 408 OD1 ASN A 46 2.293 15.976 4.710 1.00 2.13 O ATOM 409 ND2 ASN A 46 0.545 15.171 3.569 1.00 2.13 N ATOM 0 H ASN A 46 5.309 13.029 2.696 1.00 0.69 H new ATOM 0 HA ASN A 46 3.500 13.365 3.920 1.00 0.72 H new ATOM 0 HB2 ASN A 46 3.615 15.574 2.538 1.00 0.87 H new ATOM 0 HB3 ASN A 46 2.233 14.938 1.668 1.00 0.87 H new ATOM 0 HD21 ASN A 46 -0.115 15.488 4.279 1.00 2.13 H new ATOM 0 HD22 ASN A 46 0.206 14.684 2.739 1.00 2.13 H new ATOM 416 N LEU A 47 2.583 11.189 2.437 1.00 0.51 N ATOM 417 CA LEU A 47 1.644 10.109 2.185 1.00 0.51 C ATOM 418 C LEU A 47 1.402 9.324 3.460 1.00 0.46 C ATOM 419 O LEU A 47 2.023 9.584 4.492 1.00 0.56 O ATOM 420 CB LEU A 47 2.176 9.149 1.118 1.00 0.58 C ATOM 421 CG LEU A 47 2.574 9.777 -0.217 1.00 0.69 C ATOM 422 CD1 LEU A 47 3.003 8.698 -1.195 1.00 1.00 C ATOM 423 CD2 LEU A 47 1.432 10.596 -0.797 1.00 1.18 C ATOM 0 H LEU A 47 3.550 10.888 2.555 1.00 0.51 H new ATOM 0 HA LEU A 47 0.715 10.556 1.832 1.00 0.51 H new ATOM 0 HB2 LEU A 47 3.044 8.631 1.525 1.00 0.58 H new ATOM 0 HB3 LEU A 47 1.415 8.393 0.927 1.00 0.58 H new ATOM 0 HG LEU A 47 3.414 10.449 -0.042 1.00 0.69 H new ATOM 0 HD11 LEU A 47 3.284 9.157 -2.143 1.00 1.00 H new ATOM 0 HD12 LEU A 47 3.856 8.156 -0.787 1.00 1.00 H new ATOM 0 HD13 LEU A 47 2.177 8.006 -1.358 1.00 1.00 H new ATOM 0 HD21 LEU A 47 1.742 11.032 -1.747 1.00 1.18 H new ATOM 0 HD22 LEU A 47 0.568 9.952 -0.958 1.00 1.18 H new ATOM 0 HD23 LEU A 47 1.166 11.393 -0.102 1.00 1.18 H new ATOM 435 N TYR A 48 0.502 8.360 3.383 1.00 0.49 N ATOM 436 CA TYR A 48 0.243 7.462 4.492 1.00 0.54 C ATOM 437 C TYR A 48 0.258 6.026 4.006 1.00 0.46 C ATOM 438 O TYR A 48 -0.337 5.705 2.974 1.00 0.58 O ATOM 439 CB TYR A 48 -1.096 7.786 5.160 1.00 0.64 C ATOM 440 CG TYR A 48 -1.068 9.059 5.973 1.00 0.77 C ATOM 441 CD1 TYR A 48 -1.434 10.277 5.413 1.00 1.51 C ATOM 442 CD2 TYR A 48 -0.661 9.043 7.301 1.00 1.31 C ATOM 443 CE1 TYR A 48 -1.393 11.442 6.155 1.00 1.61 C ATOM 444 CE2 TYR A 48 -0.621 10.201 8.049 1.00 1.43 C ATOM 445 CZ TYR A 48 -0.987 11.397 7.472 1.00 1.09 C ATOM 446 OH TYR A 48 -0.942 12.555 8.213 1.00 1.28 O ATOM 0 H TYR A 48 -0.066 8.179 2.555 1.00 0.49 H new ATOM 0 HA TYR A 48 1.029 7.595 5.235 1.00 0.54 H new ATOM 0 HB2 TYR A 48 -1.865 7.871 4.393 1.00 0.64 H new ATOM 0 HB3 TYR A 48 -1.381 6.956 5.807 1.00 0.64 H new ATOM 0 HD1 TYR A 48 -1.755 10.314 4.383 1.00 1.51 H new ATOM 0 HD2 TYR A 48 -0.371 8.107 7.756 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -1.677 12.382 5.706 1.00 1.61 H new ATOM 0 HE2 TYR A 48 -0.305 10.170 9.081 1.00 1.43 H new ATOM 0 HH TYR A 48 -0.636 12.350 9.121 1.00 1.28 H new ATOM 456 N LEU A 49 0.956 5.171 4.735 1.00 0.46 N ATOM 457 CA LEU A 49 1.028 3.763 4.390 1.00 0.46 C ATOM 458 C LEU A 49 0.559 2.918 5.559 1.00 0.50 C ATOM 459 O LEU A 49 0.714 3.307 6.718 1.00 0.61 O ATOM 460 CB LEU A 49 2.451 3.346 3.989 1.00 0.66 C ATOM 461 CG LEU A 49 3.459 3.231 5.137 1.00 0.81 C ATOM 462 CD1 LEU A 49 4.626 2.350 4.724 1.00 1.76 C ATOM 463 CD2 LEU A 49 3.968 4.601 5.550 1.00 1.35 C ATOM 0 H LEU A 49 1.481 5.429 5.570 1.00 0.46 H new ATOM 0 HA LEU A 49 0.376 3.600 3.532 1.00 0.46 H new ATOM 0 HB2 LEU A 49 2.398 2.384 3.479 1.00 0.66 H new ATOM 0 HB3 LEU A 49 2.832 4.069 3.267 1.00 0.66 H new ATOM 0 HG LEU A 49 2.952 2.779 5.990 1.00 0.81 H new ATOM 0 HD11 LEU A 49 5.336 2.276 5.548 1.00 1.76 H new ATOM 0 HD12 LEU A 49 4.259 1.355 4.471 1.00 1.76 H new ATOM 0 HD13 LEU A 49 5.122 2.786 3.857 1.00 1.76 H new ATOM 0 HD21 LEU A 49 4.682 4.493 6.366 1.00 1.35 H new ATOM 0 HD22 LEU A 49 4.457 5.079 4.701 1.00 1.35 H new ATOM 0 HD23 LEU A 49 3.131 5.216 5.879 1.00 1.35 H new ATOM 475 N LEU A 50 -0.025 1.774 5.252 1.00 0.52 N ATOM 476 CA LEU A 50 -0.484 0.852 6.275 1.00 0.63 C ATOM 477 C LEU A 50 -0.020 -0.558 5.962 1.00 0.69 C ATOM 478 O LEU A 50 0.133 -0.929 4.793 1.00 0.69 O ATOM 479 CB LEU A 50 -2.015 0.854 6.389 1.00 0.77 C ATOM 480 CG LEU A 50 -2.659 2.149 6.895 1.00 0.81 C ATOM 481 CD1 LEU A 50 -2.828 3.158 5.769 1.00 1.24 C ATOM 482 CD2 LEU A 50 -3.997 1.839 7.544 1.00 1.48 C ATOM 0 H LEU A 50 -0.193 1.460 4.296 1.00 0.52 H new ATOM 0 HA LEU A 50 -0.059 1.184 7.222 1.00 0.63 H new ATOM 0 HB2 LEU A 50 -2.431 0.627 5.407 1.00 0.77 H new ATOM 0 HB3 LEU A 50 -2.309 0.043 7.056 1.00 0.77 H new ATOM 0 HG LEU A 50 -1.998 2.595 7.638 1.00 0.81 H new ATOM 0 HD11 LEU A 50 -3.287 4.066 6.160 1.00 1.24 H new ATOM 0 HD12 LEU A 50 -1.852 3.398 5.346 1.00 1.24 H new ATOM 0 HD13 LEU A 50 -3.465 2.734 4.993 1.00 1.24 H new ATOM 0 HD21 LEU A 50 -4.451 2.763 7.902 1.00 1.48 H new ATOM 0 HD22 LEU A 50 -4.656 1.371 6.813 1.00 1.48 H new ATOM 0 HD23 LEU A 50 -3.846 1.160 8.383 1.00 1.48 H new ATOM 494 N THR A 51 0.208 -1.337 7.003 1.00 0.85 N ATOM 495 CA THR A 51 0.460 -2.754 6.846 1.00 1.00 C ATOM 496 C THR A 51 -0.883 -3.466 6.871 1.00 1.38 C ATOM 497 O THR A 51 -1.824 -2.989 7.510 1.00 2.04 O ATOM 498 CB THR A 51 1.360 -3.305 7.974 1.00 1.42 C ATOM 499 OG1 THR A 51 2.374 -2.346 8.321 1.00 1.86 O ATOM 500 CG2 THR A 51 2.024 -4.606 7.551 1.00 2.07 C ATOM 0 H THR A 51 0.223 -1.009 7.969 1.00 0.85 H new ATOM 0 HA THR A 51 0.983 -2.923 5.905 1.00 1.00 H new ATOM 0 HB THR A 51 0.728 -3.495 8.841 1.00 1.42 H new ATOM 0 HG1 THR A 51 2.935 -2.708 9.038 1.00 1.86 H new ATOM 0 HG21 THR A 51 2.652 -4.974 8.362 1.00 2.07 H new ATOM 0 HG22 THR A 51 1.259 -5.347 7.320 1.00 2.07 H new ATOM 0 HG23 THR A 51 2.638 -4.431 6.667 1.00 2.07 H new ATOM 508 N LEU A 52 -0.997 -4.586 6.185 1.00 1.17 N ATOM 509 CA LEU A 52 -2.293 -5.212 6.028 1.00 1.66 C ATOM 510 C LEU A 52 -2.545 -6.236 7.122 1.00 1.10 C ATOM 511 O LEU A 52 -1.967 -7.325 7.132 1.00 1.25 O ATOM 512 CB LEU A 52 -2.393 -5.850 4.644 1.00 2.63 C ATOM 513 CG LEU A 52 -2.184 -4.874 3.483 1.00 2.95 C ATOM 514 CD1 LEU A 52 -2.234 -5.596 2.149 1.00 3.41 C ATOM 515 CD2 LEU A 52 -3.221 -3.763 3.530 1.00 3.43 C ATOM 0 H LEU A 52 -0.222 -5.074 5.735 1.00 1.17 H new ATOM 0 HA LEU A 52 -3.064 -4.447 6.118 1.00 1.66 H new ATOM 0 HB2 LEU A 52 -1.654 -6.647 4.570 1.00 2.63 H new ATOM 0 HB3 LEU A 52 -3.374 -6.314 4.541 1.00 2.63 H new ATOM 0 HG LEU A 52 -1.194 -4.429 3.587 1.00 2.95 H new ATOM 0 HD11 LEU A 52 -2.083 -4.880 1.342 1.00 3.41 H new ATOM 0 HD12 LEU A 52 -1.450 -6.352 2.115 1.00 3.41 H new ATOM 0 HD13 LEU A 52 -3.206 -6.076 2.031 1.00 3.41 H new ATOM 0 HD21 LEU A 52 -3.058 -3.078 2.698 1.00 3.43 H new ATOM 0 HD22 LEU A 52 -4.219 -4.194 3.455 1.00 3.43 H new ATOM 0 HD23 LEU A 52 -3.130 -3.220 4.470 1.00 3.43 H new ATOM 527 N GLU A 53 -3.420 -5.858 8.045 1.00 1.35 N ATOM 528 CA GLU A 53 -3.829 -6.709 9.152 1.00 1.60 C ATOM 529 C GLU A 53 -5.290 -6.416 9.468 1.00 1.84 C ATOM 530 O GLU A 53 -6.149 -7.298 9.408 1.00 2.34 O ATOM 531 CB GLU A 53 -2.962 -6.454 10.394 1.00 2.04 C ATOM 532 CG GLU A 53 -1.473 -6.662 10.163 1.00 2.24 C ATOM 533 CD GLU A 53 -0.666 -6.598 11.440 1.00 2.43 C ATOM 534 OE1 GLU A 53 -0.028 -5.558 11.694 1.00 2.97 O ATOM 535 OE2 GLU A 53 -0.663 -7.592 12.196 1.00 2.75 O ATOM 0 H GLU A 53 -3.870 -4.942 8.045 1.00 1.35 H new ATOM 0 HA GLU A 53 -3.703 -7.754 8.869 1.00 1.60 H new ATOM 0 HB2 GLU A 53 -3.127 -5.432 10.736 1.00 2.04 H new ATOM 0 HB3 GLU A 53 -3.291 -7.115 11.196 1.00 2.04 H new ATOM 0 HG2 GLU A 53 -1.316 -7.630 9.688 1.00 2.24 H new ATOM 0 HG3 GLU A 53 -1.108 -5.904 9.470 1.00 2.24 H new ATOM 542 N THR A 54 -5.555 -5.166 9.816 1.00 1.76 N ATOM 543 CA THR A 54 -6.914 -4.680 9.956 1.00 1.96 C ATOM 544 C THR A 54 -7.210 -3.675 8.840 1.00 1.44 C ATOM 545 O THR A 54 -6.670 -2.564 8.815 1.00 1.41 O ATOM 546 CB THR A 54 -7.153 -4.055 11.354 1.00 2.58 C ATOM 547 OG1 THR A 54 -8.420 -3.378 11.400 1.00 2.85 O ATOM 548 CG2 THR A 54 -6.037 -3.093 11.732 1.00 3.30 C ATOM 0 H THR A 54 -4.838 -4.466 10.008 1.00 1.76 H new ATOM 0 HA THR A 54 -7.600 -5.523 9.867 1.00 1.96 H new ATOM 0 HB THR A 54 -7.160 -4.870 12.078 1.00 2.58 H new ATOM 0 HG1 THR A 54 -8.552 -2.992 12.291 1.00 2.85 H new ATOM 0 HG21 THR A 54 -6.237 -2.673 12.718 1.00 3.30 H new ATOM 0 HG22 THR A 54 -5.087 -3.627 11.751 1.00 3.30 H new ATOM 0 HG23 THR A 54 -5.986 -2.288 10.999 1.00 3.30 H new ATOM 556 N ASP A 55 -8.048 -4.083 7.900 1.00 1.58 N ATOM 557 CA ASP A 55 -8.309 -3.273 6.708 1.00 1.57 C ATOM 558 C ASP A 55 -9.416 -2.263 6.953 1.00 1.40 C ATOM 559 O ASP A 55 -9.197 -1.055 6.877 1.00 1.25 O ATOM 560 CB ASP A 55 -8.698 -4.138 5.495 1.00 2.38 C ATOM 561 CG ASP A 55 -7.634 -5.141 5.096 1.00 3.04 C ATOM 562 OD1 ASP A 55 -7.410 -6.115 5.846 1.00 3.66 O ATOM 563 OD2 ASP A 55 -7.055 -4.981 4.002 1.00 3.51 O ATOM 0 H ASP A 55 -8.560 -4.965 7.933 1.00 1.58 H new ATOM 0 HA ASP A 55 -7.377 -2.751 6.491 1.00 1.57 H new ATOM 0 HB2 ASP A 55 -9.621 -4.672 5.721 1.00 2.38 H new ATOM 0 HB3 ASP A 55 -8.907 -3.486 4.647 1.00 2.38 H new ATOM 568 N ASP A 56 -10.598 -2.775 7.263 1.00 1.62 N ATOM 569 CA ASP A 56 -11.811 -1.967 7.337 1.00 1.72 C ATOM 570 C ASP A 56 -11.674 -0.773 8.281 1.00 1.47 C ATOM 571 O ASP A 56 -12.047 0.345 7.925 1.00 1.48 O ATOM 572 CB ASP A 56 -13.003 -2.841 7.753 1.00 2.15 C ATOM 573 CG ASP A 56 -12.751 -3.636 9.023 1.00 2.43 C ATOM 574 OD1 ASP A 56 -13.358 -3.317 10.067 1.00 2.98 O ATOM 575 OD2 ASP A 56 -11.947 -4.595 8.978 1.00 2.88 O ATOM 0 H ASP A 56 -10.745 -3.763 7.471 1.00 1.62 H new ATOM 0 HA ASP A 56 -11.983 -1.561 6.340 1.00 1.72 H new ATOM 0 HB2 ASP A 56 -13.877 -2.206 7.897 1.00 2.15 H new ATOM 0 HB3 ASP A 56 -13.240 -3.530 6.942 1.00 2.15 H new ATOM 580 N LYS A 57 -11.118 -0.997 9.460 1.00 1.39 N ATOM 581 CA LYS A 57 -11.090 0.036 10.489 1.00 1.42 C ATOM 582 C LYS A 57 -9.979 1.055 10.253 1.00 1.20 C ATOM 583 O LYS A 57 -10.221 2.261 10.283 1.00 1.27 O ATOM 584 CB LYS A 57 -10.949 -0.605 11.870 1.00 1.57 C ATOM 585 CG LYS A 57 -12.172 -1.407 12.276 1.00 1.98 C ATOM 586 CD LYS A 57 -11.941 -2.196 13.550 1.00 2.71 C ATOM 587 CE LYS A 57 -13.146 -3.060 13.883 1.00 3.40 C ATOM 588 NZ LYS A 57 -13.500 -3.974 12.762 1.00 4.03 N ATOM 0 H LYS A 57 -10.682 -1.878 9.730 1.00 1.39 H new ATOM 0 HA LYS A 57 -12.034 0.578 10.438 1.00 1.42 H new ATOM 0 HB2 LYS A 57 -10.075 -1.257 11.875 1.00 1.57 H new ATOM 0 HB3 LYS A 57 -10.770 0.175 12.610 1.00 1.57 H new ATOM 0 HG2 LYS A 57 -13.017 -0.733 12.416 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -12.440 -2.091 11.471 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -11.058 -2.825 13.437 1.00 2.71 H new ATOM 0 HD3 LYS A 57 -11.741 -1.512 14.374 1.00 2.71 H new ATOM 0 HE2 LYS A 57 -12.936 -3.647 14.777 1.00 3.40 H new ATOM 0 HE3 LYS A 57 -13.998 -2.421 14.114 1.00 3.40 H new ATOM 0 HZ1 LYS A 57 -14.283 -4.593 13.053 1.00 4.03 H new ATOM 0 HZ2 LYS A 57 -13.790 -3.413 11.936 1.00 4.03 H new ATOM 0 HZ3 LYS A 57 -12.674 -4.555 12.513 1.00 4.03 H new ATOM 602 N LYS A 58 -8.768 0.577 10.008 1.00 1.07 N ATOM 603 CA LYS A 58 -7.625 1.472 9.860 1.00 1.04 C ATOM 604 C LYS A 58 -7.607 2.154 8.497 1.00 0.88 C ATOM 605 O LYS A 58 -7.486 3.375 8.410 1.00 0.87 O ATOM 606 CB LYS A 58 -6.314 0.715 10.079 1.00 1.18 C ATOM 607 CG LYS A 58 -6.045 0.361 11.533 1.00 1.64 C ATOM 608 CD LYS A 58 -5.940 1.606 12.398 1.00 2.25 C ATOM 609 CE LYS A 58 -5.536 1.267 13.823 1.00 2.61 C ATOM 610 NZ LYS A 58 -4.170 0.688 13.895 1.00 2.99 N ATOM 0 H LYS A 58 -8.550 -0.414 9.908 1.00 1.07 H new ATOM 0 HA LYS A 58 -7.725 2.246 10.621 1.00 1.04 H new ATOM 0 HB2 LYS A 58 -6.332 -0.201 9.489 1.00 1.18 H new ATOM 0 HB3 LYS A 58 -5.489 1.320 9.703 1.00 1.18 H new ATOM 0 HG2 LYS A 58 -6.845 -0.277 11.907 1.00 1.64 H new ATOM 0 HG3 LYS A 58 -5.121 -0.212 11.604 1.00 1.64 H new ATOM 0 HD2 LYS A 58 -5.209 2.289 11.965 1.00 2.25 H new ATOM 0 HD3 LYS A 58 -6.898 2.126 12.405 1.00 2.25 H new ATOM 0 HE2 LYS A 58 -5.580 2.168 14.436 1.00 2.61 H new ATOM 0 HE3 LYS A 58 -6.251 0.560 14.243 1.00 2.61 H new ATOM 0 HZ1 LYS A 58 -3.829 0.723 14.877 1.00 2.99 H new ATOM 0 HZ2 LYS A 58 -4.194 -0.300 13.572 1.00 2.99 H new ATOM 0 HZ3 LYS A 58 -3.528 1.235 13.286 1.00 2.99 H new ATOM 624 N ILE A 59 -7.743 1.366 7.438 1.00 0.83 N ATOM 625 CA ILE A 59 -7.584 1.881 6.083 1.00 0.80 C ATOM 626 C ILE A 59 -8.671 2.898 5.730 1.00 0.74 C ATOM 627 O ILE A 59 -8.365 3.975 5.218 1.00 0.78 O ATOM 628 CB ILE A 59 -7.564 0.737 5.039 1.00 0.90 C ATOM 629 CG1 ILE A 59 -6.337 -0.159 5.258 1.00 1.12 C ATOM 630 CG2 ILE A 59 -7.570 1.289 3.617 1.00 0.96 C ATOM 631 CD1 ILE A 59 -6.311 -1.384 4.369 1.00 1.33 C ATOM 0 H ILE A 59 -7.962 0.371 7.490 1.00 0.83 H new ATOM 0 HA ILE A 59 -6.621 2.391 6.054 1.00 0.80 H new ATOM 0 HB ILE A 59 -8.467 0.141 5.172 1.00 0.90 H new ATOM 0 HG12 ILE A 59 -5.435 0.426 5.081 1.00 1.12 H new ATOM 0 HG13 ILE A 59 -6.312 -0.477 6.300 1.00 1.12 H new ATOM 0 HG21 ILE A 59 -7.556 0.463 2.906 1.00 0.96 H new ATOM 0 HG22 ILE A 59 -8.469 1.886 3.462 1.00 0.96 H new ATOM 0 HG23 ILE A 59 -6.690 1.914 3.465 1.00 0.96 H new ATOM 0 HD11 ILE A 59 -5.415 -1.968 4.581 1.00 1.33 H new ATOM 0 HD12 ILE A 59 -7.195 -1.992 4.562 1.00 1.33 H new ATOM 0 HD13 ILE A 59 -6.304 -1.075 3.324 1.00 1.33 H new ATOM 643 N GLU A 60 -9.934 2.577 6.022 1.00 0.77 N ATOM 644 CA GLU A 60 -11.032 3.470 5.657 1.00 0.87 C ATOM 645 C GLU A 60 -10.937 4.791 6.412 1.00 0.85 C ATOM 646 O GLU A 60 -11.173 5.855 5.840 1.00 0.94 O ATOM 647 CB GLU A 60 -12.398 2.819 5.898 1.00 1.04 C ATOM 648 CG GLU A 60 -13.565 3.728 5.532 1.00 1.32 C ATOM 649 CD GLU A 60 -14.909 3.037 5.603 1.00 1.47 C ATOM 650 OE1 GLU A 60 -15.352 2.695 6.718 1.00 1.96 O ATOM 651 OE2 GLU A 60 -15.540 2.852 4.545 1.00 2.01 O ATOM 0 H GLU A 60 -10.217 1.722 6.501 1.00 0.77 H new ATOM 0 HA GLU A 60 -10.940 3.670 4.590 1.00 0.87 H new ATOM 0 HB2 GLU A 60 -12.464 1.900 5.315 1.00 1.04 H new ATOM 0 HB3 GLU A 60 -12.480 2.537 6.948 1.00 1.04 H new ATOM 0 HG2 GLU A 60 -13.571 4.588 6.202 1.00 1.32 H new ATOM 0 HG3 GLU A 60 -13.415 4.112 4.523 1.00 1.32 H new ATOM 658 N ASP A 61 -10.574 4.720 7.688 1.00 0.82 N ATOM 659 CA ASP A 61 -10.454 5.915 8.521 1.00 0.88 C ATOM 660 C ASP A 61 -9.458 6.897 7.913 1.00 0.79 C ATOM 661 O ASP A 61 -9.768 8.075 7.705 1.00 0.83 O ATOM 662 CB ASP A 61 -10.010 5.535 9.937 1.00 0.99 C ATOM 663 CG ASP A 61 -9.919 6.733 10.863 1.00 1.55 C ATOM 664 OD1 ASP A 61 -10.858 6.947 11.658 1.00 2.27 O ATOM 665 OD2 ASP A 61 -8.910 7.467 10.806 1.00 2.05 O ATOM 0 H ASP A 61 -10.357 3.848 8.170 1.00 0.82 H new ATOM 0 HA ASP A 61 -11.432 6.394 8.571 1.00 0.88 H new ATOM 0 HB2 ASP A 61 -10.713 4.813 10.352 1.00 0.99 H new ATOM 0 HB3 ASP A 61 -9.038 5.043 9.889 1.00 0.99 H new ATOM 670 N ILE A 62 -8.269 6.397 7.604 1.00 0.72 N ATOM 671 CA ILE A 62 -7.210 7.234 7.067 1.00 0.69 C ATOM 672 C ILE A 62 -7.536 7.716 5.656 1.00 0.68 C ATOM 673 O ILE A 62 -7.355 8.892 5.346 1.00 0.73 O ATOM 674 CB ILE A 62 -5.848 6.501 7.071 1.00 0.73 C ATOM 675 CG1 ILE A 62 -5.442 6.168 8.511 1.00 0.81 C ATOM 676 CG2 ILE A 62 -4.776 7.348 6.393 1.00 0.77 C ATOM 677 CD1 ILE A 62 -4.076 5.525 8.632 1.00 0.93 C ATOM 0 H ILE A 62 -8.016 5.415 7.717 1.00 0.72 H new ATOM 0 HA ILE A 62 -7.137 8.103 7.721 1.00 0.69 H new ATOM 0 HB ILE A 62 -5.948 5.573 6.508 1.00 0.73 H new ATOM 0 HG12 ILE A 62 -5.455 7.084 9.102 1.00 0.81 H new ATOM 0 HG13 ILE A 62 -6.187 5.499 8.942 1.00 0.81 H new ATOM 0 HG21 ILE A 62 -3.826 6.813 6.407 1.00 0.77 H new ATOM 0 HG22 ILE A 62 -5.066 7.544 5.361 1.00 0.77 H new ATOM 0 HG23 ILE A 62 -4.668 8.293 6.926 1.00 0.77 H new ATOM 0 HD11 ILE A 62 -3.862 5.320 9.681 1.00 0.93 H new ATOM 0 HD12 ILE A 62 -4.062 4.591 8.070 1.00 0.93 H new ATOM 0 HD13 ILE A 62 -3.319 6.200 8.232 1.00 0.93 H new ATOM 689 N LEU A 63 -8.049 6.825 4.811 1.00 0.68 N ATOM 690 CA LEU A 63 -8.316 7.182 3.421 1.00 0.76 C ATOM 691 C LEU A 63 -9.413 8.247 3.347 1.00 0.84 C ATOM 692 O LEU A 63 -9.393 9.109 2.469 1.00 0.94 O ATOM 693 CB LEU A 63 -8.678 5.919 2.583 1.00 0.85 C ATOM 694 CG LEU A 63 -10.144 5.416 2.664 1.00 1.23 C ATOM 695 CD1 LEU A 63 -11.121 6.216 1.789 1.00 1.57 C ATOM 696 CD2 LEU A 63 -10.204 3.946 2.290 1.00 1.89 C ATOM 0 H LEU A 63 -8.285 5.864 5.060 1.00 0.68 H new ATOM 0 HA LEU A 63 -7.410 7.607 2.988 1.00 0.76 H new ATOM 0 HB2 LEU A 63 -8.449 6.129 1.538 1.00 0.85 H new ATOM 0 HB3 LEU A 63 -8.023 5.106 2.896 1.00 0.85 H new ATOM 0 HG LEU A 63 -10.464 5.563 3.696 1.00 1.23 H new ATOM 0 HD11 LEU A 63 -12.125 5.807 1.897 1.00 1.57 H new ATOM 0 HD12 LEU A 63 -11.119 7.260 2.102 1.00 1.57 H new ATOM 0 HD13 LEU A 63 -10.813 6.150 0.746 1.00 1.57 H new ATOM 0 HD21 LEU A 63 -11.235 3.598 2.348 1.00 1.89 H new ATOM 0 HD22 LEU A 63 -9.833 3.814 1.274 1.00 1.89 H new ATOM 0 HD23 LEU A 63 -9.587 3.370 2.979 1.00 1.89 H new ATOM 708 N LYS A 64 -10.356 8.196 4.288 1.00 0.89 N ATOM 709 CA LYS A 64 -11.425 9.191 4.355 1.00 1.05 C ATOM 710 C LYS A 64 -10.880 10.549 4.776 1.00 1.03 C ATOM 711 O LYS A 64 -11.498 11.583 4.524 1.00 1.13 O ATOM 712 CB LYS A 64 -12.520 8.749 5.329 1.00 1.22 C ATOM 713 CG LYS A 64 -13.536 7.788 4.728 1.00 1.64 C ATOM 714 CD LYS A 64 -14.362 8.464 3.642 1.00 2.17 C ATOM 715 CE LYS A 64 -15.505 7.579 3.169 1.00 2.87 C ATOM 716 NZ LYS A 64 -15.018 6.324 2.539 1.00 3.41 N ATOM 0 H LYS A 64 -10.401 7.479 5.012 1.00 0.89 H new ATOM 0 HA LYS A 64 -11.855 9.280 3.357 1.00 1.05 H new ATOM 0 HB2 LYS A 64 -12.053 8.274 6.192 1.00 1.22 H new ATOM 0 HB3 LYS A 64 -13.044 9.632 5.695 1.00 1.22 H new ATOM 0 HG2 LYS A 64 -13.019 6.924 4.310 1.00 1.64 H new ATOM 0 HG3 LYS A 64 -14.196 7.416 5.512 1.00 1.64 H new ATOM 0 HD2 LYS A 64 -14.763 9.404 4.022 1.00 2.17 H new ATOM 0 HD3 LYS A 64 -13.719 8.710 2.797 1.00 2.17 H new ATOM 0 HE2 LYS A 64 -16.147 7.334 4.015 1.00 2.87 H new ATOM 0 HE3 LYS A 64 -16.117 8.129 2.454 1.00 2.87 H new ATOM 0 HZ1 LYS A 64 -15.827 5.784 2.171 1.00 3.41 H new ATOM 0 HZ2 LYS A 64 -14.372 6.556 1.757 1.00 3.41 H new ATOM 0 HZ3 LYS A 64 -14.514 5.753 3.247 1.00 3.41 H new ATOM 730 N SER A 65 -9.717 10.541 5.409 1.00 0.97 N ATOM 731 CA SER A 65 -9.091 11.771 5.864 1.00 1.06 C ATOM 732 C SER A 65 -8.340 12.455 4.719 1.00 1.03 C ATOM 733 O SER A 65 -8.062 13.653 4.780 1.00 1.13 O ATOM 734 CB SER A 65 -8.142 11.477 7.027 1.00 1.18 C ATOM 735 OG SER A 65 -8.815 10.783 8.071 1.00 1.65 O ATOM 0 H SER A 65 -9.188 9.695 5.619 1.00 0.97 H new ATOM 0 HA SER A 65 -9.871 12.450 6.209 1.00 1.06 H new ATOM 0 HB2 SER A 65 -7.301 10.881 6.673 1.00 1.18 H new ATOM 0 HB3 SER A 65 -7.732 12.411 7.412 1.00 1.18 H new ATOM 0 HG SER A 65 -9.048 9.881 7.767 1.00 1.65 H new ATOM 741 N LEU A 66 -8.027 11.692 3.672 1.00 0.97 N ATOM 742 CA LEU A 66 -7.314 12.234 2.515 1.00 1.05 C ATOM 743 C LEU A 66 -8.188 13.219 1.743 1.00 1.20 C ATOM 744 O LEU A 66 -7.716 14.269 1.310 1.00 1.55 O ATOM 745 CB LEU A 66 -6.850 11.107 1.581 1.00 1.00 C ATOM 746 CG LEU A 66 -5.436 10.557 1.832 1.00 1.09 C ATOM 747 CD1 LEU A 66 -4.388 11.631 1.587 1.00 1.72 C ATOM 748 CD2 LEU A 66 -5.302 10.004 3.242 1.00 1.38 C ATOM 0 H LEU A 66 -8.255 10.700 3.601 1.00 0.97 H new ATOM 0 HA LEU A 66 -6.438 12.765 2.889 1.00 1.05 H new ATOM 0 HB2 LEU A 66 -7.558 10.282 1.661 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -6.899 11.470 0.555 1.00 1.00 H new ATOM 0 HG LEU A 66 -5.270 9.741 1.129 1.00 1.09 H new ATOM 0 HD11 LEU A 66 -3.395 11.220 1.771 1.00 1.72 H new ATOM 0 HD12 LEU A 66 -4.453 11.974 0.555 1.00 1.72 H new ATOM 0 HD13 LEU A 66 -4.563 12.470 2.260 1.00 1.72 H new ATOM 0 HD21 LEU A 66 -4.291 9.623 3.389 1.00 1.38 H new ATOM 0 HD22 LEU A 66 -5.499 10.796 3.964 1.00 1.38 H new ATOM 0 HD23 LEU A 66 -6.019 9.196 3.386 1.00 1.38 H new ATOM 760 N GLY A 67 -9.461 12.881 1.579 1.00 1.07 N ATOM 761 CA GLY A 67 -10.386 13.788 0.922 1.00 1.26 C ATOM 762 C GLY A 67 -10.939 13.237 -0.381 1.00 1.22 C ATOM 763 O GLY A 67 -11.918 12.492 -0.367 1.00 1.28 O ATOM 0 H GLY A 67 -9.869 11.999 1.887 1.00 1.07 H new ATOM 0 HA2 GLY A 67 -11.213 14.005 1.597 1.00 1.26 H new ATOM 0 HA3 GLY A 67 -9.880 14.733 0.724 1.00 1.26 H new ATOM 767 N PRO A 68 -10.323 13.587 -1.525 1.00 1.24 N ATOM 768 CA PRO A 68 -10.797 13.172 -2.860 1.00 1.29 C ATOM 769 C PRO A 68 -10.744 11.656 -3.060 1.00 1.15 C ATOM 770 O PRO A 68 -10.271 10.931 -2.186 1.00 0.99 O ATOM 771 CB PRO A 68 -9.810 13.863 -3.814 1.00 1.41 C ATOM 772 CG PRO A 68 -8.600 14.132 -2.992 1.00 1.56 C ATOM 773 CD PRO A 68 -9.108 14.415 -1.610 1.00 1.35 C ATOM 0 HA PRO A 68 -11.840 13.444 -3.020 1.00 1.29 H new ATOM 0 HB2 PRO A 68 -9.574 13.226 -4.666 1.00 1.41 H new ATOM 0 HB3 PRO A 68 -10.229 14.787 -4.213 1.00 1.41 H new ATOM 0 HG2 PRO A 68 -7.926 13.275 -2.994 1.00 1.56 H new ATOM 0 HG3 PRO A 68 -8.039 14.980 -3.385 1.00 1.56 H new ATOM 0 HD2 PRO A 68 -8.379 14.140 -0.848 1.00 1.35 H new ATOM 0 HD3 PRO A 68 -9.331 15.473 -1.471 1.00 1.35 H new ATOM 781 N PRO A 69 -11.257 11.149 -4.203 1.00 1.30 N ATOM 782 CA PRO A 69 -11.112 9.737 -4.569 1.00 1.26 C ATOM 783 C PRO A 69 -9.652 9.312 -4.515 1.00 1.05 C ATOM 784 O PRO A 69 -8.816 9.807 -5.276 1.00 1.17 O ATOM 785 CB PRO A 69 -11.643 9.679 -6.002 1.00 1.53 C ATOM 786 CG PRO A 69 -12.592 10.820 -6.096 1.00 1.89 C ATOM 787 CD PRO A 69 -12.030 11.900 -5.211 1.00 1.58 C ATOM 0 HA PRO A 69 -11.644 9.067 -3.893 1.00 1.26 H new ATOM 0 HB2 PRO A 69 -10.836 9.774 -6.728 1.00 1.53 H new ATOM 0 HB3 PRO A 69 -12.142 8.731 -6.202 1.00 1.53 H new ATOM 0 HG2 PRO A 69 -12.684 11.167 -7.125 1.00 1.89 H new ATOM 0 HG3 PRO A 69 -13.589 10.526 -5.768 1.00 1.89 H new ATOM 0 HD2 PRO A 69 -11.398 12.589 -5.771 1.00 1.58 H new ATOM 0 HD3 PRO A 69 -12.820 12.494 -4.751 1.00 1.58 H new ATOM 795 N VAL A 70 -9.345 8.411 -3.601 1.00 0.85 N ATOM 796 CA VAL A 70 -7.966 8.067 -3.311 1.00 0.67 C ATOM 797 C VAL A 70 -7.514 6.859 -4.120 1.00 0.60 C ATOM 798 O VAL A 70 -8.232 5.864 -4.226 1.00 0.66 O ATOM 799 CB VAL A 70 -7.779 7.777 -1.804 1.00 0.62 C ATOM 800 CG1 VAL A 70 -6.310 7.603 -1.456 1.00 0.99 C ATOM 801 CG2 VAL A 70 -8.394 8.886 -0.969 1.00 1.08 C ATOM 0 H VAL A 70 -10.034 7.903 -3.046 1.00 0.85 H new ATOM 0 HA VAL A 70 -7.353 8.923 -3.591 1.00 0.67 H new ATOM 0 HB VAL A 70 -8.292 6.842 -1.576 1.00 0.62 H new ATOM 0 HG11 VAL A 70 -6.210 7.400 -0.390 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -5.898 6.769 -2.024 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -5.767 8.515 -1.704 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -8.253 8.666 0.089 1.00 1.08 H new ATOM 0 HG22 VAL A 70 -7.911 9.833 -1.210 1.00 1.08 H new ATOM 0 HG23 VAL A 70 -9.460 8.957 -1.186 1.00 1.08 H new ATOM 811 N LYS A 71 -6.327 6.964 -4.697 1.00 0.55 N ATOM 812 CA LYS A 71 -5.722 5.849 -5.410 1.00 0.54 C ATOM 813 C LYS A 71 -4.765 5.128 -4.476 1.00 0.43 C ATOM 814 O LYS A 71 -3.933 5.758 -3.819 1.00 0.41 O ATOM 815 CB LYS A 71 -4.982 6.326 -6.667 1.00 0.65 C ATOM 816 CG LYS A 71 -4.179 5.230 -7.356 1.00 1.27 C ATOM 817 CD LYS A 71 -3.300 5.788 -8.464 1.00 1.74 C ATOM 818 CE LYS A 71 -4.120 6.428 -9.571 1.00 2.14 C ATOM 819 NZ LYS A 71 -3.256 7.048 -10.609 1.00 2.53 N ATOM 0 H LYS A 71 -5.762 7.813 -4.685 1.00 0.55 H new ATOM 0 HA LYS A 71 -6.509 5.168 -5.733 1.00 0.54 H new ATOM 0 HB2 LYS A 71 -5.707 6.732 -7.373 1.00 0.65 H new ATOM 0 HB3 LYS A 71 -4.311 7.141 -6.396 1.00 0.65 H new ATOM 0 HG2 LYS A 71 -3.557 4.718 -6.621 1.00 1.27 H new ATOM 0 HG3 LYS A 71 -4.860 4.487 -7.771 1.00 1.27 H new ATOM 0 HD2 LYS A 71 -2.615 6.526 -8.047 1.00 1.74 H new ATOM 0 HD3 LYS A 71 -2.690 4.987 -8.881 1.00 1.74 H new ATOM 0 HE2 LYS A 71 -4.759 5.675 -10.032 1.00 2.14 H new ATOM 0 HE3 LYS A 71 -4.777 7.186 -9.145 1.00 2.14 H new ATOM 0 HZ1 LYS A 71 -3.705 7.917 -10.961 1.00 2.53 H new ATOM 0 HZ2 LYS A 71 -2.330 7.279 -10.197 1.00 2.53 H new ATOM 0 HZ3 LYS A 71 -3.127 6.382 -11.397 1.00 2.53 H new ATOM 833 N ILE A 72 -4.895 3.817 -4.399 1.00 0.45 N ATOM 834 CA ILE A 72 -4.085 3.037 -3.487 1.00 0.43 C ATOM 835 C ILE A 72 -2.994 2.271 -4.229 1.00 0.41 C ATOM 836 O ILE A 72 -3.264 1.536 -5.181 1.00 0.50 O ATOM 837 CB ILE A 72 -4.944 2.048 -2.677 1.00 0.54 C ATOM 838 CG1 ILE A 72 -6.117 2.779 -2.013 1.00 0.68 C ATOM 839 CG2 ILE A 72 -4.093 1.349 -1.630 1.00 0.58 C ATOM 840 CD1 ILE A 72 -7.041 1.870 -1.226 1.00 1.00 C ATOM 0 H ILE A 72 -5.553 3.272 -4.956 1.00 0.45 H new ATOM 0 HA ILE A 72 -3.617 3.742 -2.800 1.00 0.43 H new ATOM 0 HB ILE A 72 -5.346 1.297 -3.357 1.00 0.54 H new ATOM 0 HG12 ILE A 72 -5.724 3.546 -1.346 1.00 0.68 H new ATOM 0 HG13 ILE A 72 -6.695 3.291 -2.782 1.00 0.68 H new ATOM 0 HG21 ILE A 72 -4.712 0.653 -1.064 1.00 0.58 H new ATOM 0 HG22 ILE A 72 -3.288 0.803 -2.121 1.00 0.58 H new ATOM 0 HG23 ILE A 72 -3.668 2.090 -0.953 1.00 0.58 H new ATOM 0 HD11 ILE A 72 -7.845 2.461 -0.787 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -7.465 1.118 -1.891 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -6.478 1.377 -0.433 1.00 1.00 H new ATOM 852 N LEU A 73 -1.765 2.466 -3.784 1.00 0.37 N ATOM 853 CA LEU A 73 -0.615 1.755 -4.318 1.00 0.37 C ATOM 854 C LEU A 73 -0.204 0.688 -3.302 1.00 0.37 C ATOM 855 O LEU A 73 0.163 1.008 -2.170 1.00 0.46 O ATOM 856 CB LEU A 73 0.512 2.780 -4.603 1.00 0.43 C ATOM 857 CG LEU A 73 1.854 2.274 -5.181 1.00 0.57 C ATOM 858 CD1 LEU A 73 2.664 1.545 -4.129 1.00 1.06 C ATOM 859 CD2 LEU A 73 1.659 1.389 -6.405 1.00 1.22 C ATOM 0 H LEU A 73 -1.535 3.124 -3.039 1.00 0.37 H new ATOM 0 HA LEU A 73 -0.842 1.253 -5.258 1.00 0.37 H new ATOM 0 HB2 LEU A 73 0.115 3.523 -5.295 1.00 0.43 H new ATOM 0 HB3 LEU A 73 0.730 3.298 -3.669 1.00 0.43 H new ATOM 0 HG LEU A 73 2.408 3.157 -5.499 1.00 0.57 H new ATOM 0 HD11 LEU A 73 3.602 1.201 -4.565 1.00 1.06 H new ATOM 0 HD12 LEU A 73 2.876 2.220 -3.300 1.00 1.06 H new ATOM 0 HD13 LEU A 73 2.098 0.688 -3.763 1.00 1.06 H new ATOM 0 HD21 LEU A 73 2.630 1.059 -6.774 1.00 1.22 H new ATOM 0 HD22 LEU A 73 1.059 0.520 -6.134 1.00 1.22 H new ATOM 0 HD23 LEU A 73 1.148 1.954 -7.185 1.00 1.22 H new ATOM 871 N VAL A 74 -0.305 -0.578 -3.689 1.00 0.40 N ATOM 872 CA VAL A 74 -0.074 -1.678 -2.760 1.00 0.40 C ATOM 873 C VAL A 74 1.174 -2.478 -3.130 1.00 0.39 C ATOM 874 O VAL A 74 1.361 -2.853 -4.288 1.00 0.47 O ATOM 875 CB VAL A 74 -1.282 -2.641 -2.725 1.00 0.48 C ATOM 876 CG1 VAL A 74 -1.127 -3.691 -1.632 1.00 1.30 C ATOM 877 CG2 VAL A 74 -2.582 -1.873 -2.553 1.00 1.16 C ATOM 0 H VAL A 74 -0.545 -0.868 -4.637 1.00 0.40 H new ATOM 0 HA VAL A 74 0.067 -1.228 -1.777 1.00 0.40 H new ATOM 0 HB VAL A 74 -1.315 -3.162 -3.682 1.00 0.48 H new ATOM 0 HG11 VAL A 74 -1.994 -4.351 -1.636 1.00 1.30 H new ATOM 0 HG12 VAL A 74 -0.225 -4.276 -1.814 1.00 1.30 H new ATOM 0 HG13 VAL A 74 -1.050 -3.199 -0.663 1.00 1.30 H new ATOM 0 HG21 VAL A 74 -3.418 -2.572 -2.531 1.00 1.16 H new ATOM 0 HG22 VAL A 74 -2.553 -1.313 -1.618 1.00 1.16 H new ATOM 0 HG23 VAL A 74 -2.709 -1.182 -3.386 1.00 1.16 H new ATOM 887 N LEU A 75 2.019 -2.734 -2.139 1.00 0.38 N ATOM 888 CA LEU A 75 3.181 -3.596 -2.320 1.00 0.38 C ATOM 889 C LEU A 75 2.933 -4.935 -1.637 1.00 0.35 C ATOM 890 O LEU A 75 2.753 -4.993 -0.418 1.00 0.43 O ATOM 891 CB LEU A 75 4.444 -2.961 -1.726 1.00 0.48 C ATOM 892 CG LEU A 75 4.715 -1.512 -2.127 1.00 0.80 C ATOM 893 CD1 LEU A 75 5.994 -1.011 -1.476 1.00 1.67 C ATOM 894 CD2 LEU A 75 4.795 -1.377 -3.642 1.00 1.65 C ATOM 0 H LEU A 75 1.921 -2.355 -1.197 1.00 0.38 H new ATOM 0 HA LEU A 75 3.333 -3.737 -3.390 1.00 0.38 H new ATOM 0 HB2 LEU A 75 4.375 -3.010 -0.639 1.00 0.48 H new ATOM 0 HB3 LEU A 75 5.303 -3.565 -2.018 1.00 0.48 H new ATOM 0 HG LEU A 75 3.886 -0.898 -1.775 1.00 0.80 H new ATOM 0 HD11 LEU A 75 6.172 0.023 -1.772 1.00 1.67 H new ATOM 0 HD12 LEU A 75 5.896 -1.066 -0.392 1.00 1.67 H new ATOM 0 HD13 LEU A 75 6.832 -1.630 -1.797 1.00 1.67 H new ATOM 0 HD21 LEU A 75 4.989 -0.337 -3.905 1.00 1.65 H new ATOM 0 HD22 LEU A 75 5.603 -2.003 -4.021 1.00 1.65 H new ATOM 0 HD23 LEU A 75 3.851 -1.694 -4.086 1.00 1.65 H new ATOM 906 N LEU A 76 2.908 -6.003 -2.415 1.00 0.34 N ATOM 907 CA LEU A 76 2.704 -7.334 -1.863 1.00 0.42 C ATOM 908 C LEU A 76 3.853 -8.249 -2.245 1.00 0.41 C ATOM 909 O LEU A 76 3.988 -8.639 -3.402 1.00 0.48 O ATOM 910 CB LEU A 76 1.379 -7.936 -2.348 1.00 0.55 C ATOM 911 CG LEU A 76 0.111 -7.242 -1.843 1.00 1.09 C ATOM 912 CD1 LEU A 76 -1.126 -7.954 -2.363 1.00 1.52 C ATOM 913 CD2 LEU A 76 0.092 -7.197 -0.324 1.00 1.76 C ATOM 0 H LEU A 76 3.026 -5.977 -3.428 1.00 0.34 H new ATOM 0 HA LEU A 76 2.666 -7.241 -0.778 1.00 0.42 H new ATOM 0 HB2 LEU A 76 1.371 -7.919 -3.438 1.00 0.55 H new ATOM 0 HB3 LEU A 76 1.344 -8.982 -2.045 1.00 0.55 H new ATOM 0 HG LEU A 76 0.110 -6.219 -2.218 1.00 1.09 H new ATOM 0 HD11 LEU A 76 -2.019 -7.448 -1.995 1.00 1.52 H new ATOM 0 HD12 LEU A 76 -1.124 -7.939 -3.453 1.00 1.52 H new ATOM 0 HD13 LEU A 76 -1.125 -8.987 -2.015 1.00 1.52 H new ATOM 0 HD21 LEU A 76 -0.817 -6.700 0.014 1.00 1.76 H new ATOM 0 HD22 LEU A 76 0.118 -8.213 0.070 1.00 1.76 H new ATOM 0 HD23 LEU A 76 0.961 -6.646 0.035 1.00 1.76 H new ATOM 925 N GLU A 77 4.687 -8.575 -1.271 1.00 0.46 N ATOM 926 CA GLU A 77 5.787 -9.500 -1.493 1.00 0.49 C ATOM 927 C GLU A 77 5.238 -10.909 -1.689 1.00 0.49 C ATOM 928 O GLU A 77 4.262 -11.294 -1.041 1.00 0.59 O ATOM 929 CB GLU A 77 6.759 -9.468 -0.310 1.00 0.61 C ATOM 930 CG GLU A 77 7.862 -10.507 -0.403 1.00 0.63 C ATOM 931 CD GLU A 77 8.876 -10.394 0.710 1.00 1.04 C ATOM 932 OE1 GLU A 77 8.566 -10.802 1.848 1.00 1.71 O ATOM 933 OE2 GLU A 77 10.002 -9.926 0.446 1.00 1.74 O ATOM 0 H GLU A 77 4.624 -8.213 -0.319 1.00 0.46 H new ATOM 0 HA GLU A 77 6.329 -9.199 -2.390 1.00 0.49 H new ATOM 0 HB2 GLU A 77 7.209 -8.477 -0.246 1.00 0.61 H new ATOM 0 HB3 GLU A 77 6.201 -9.624 0.613 1.00 0.61 H new ATOM 0 HG2 GLU A 77 7.418 -11.502 -0.383 1.00 0.63 H new ATOM 0 HG3 GLU A 77 8.370 -10.404 -1.362 1.00 0.63 H new ATOM 940 N ASP A 78 5.861 -11.676 -2.577 1.00 0.54 N ATOM 941 CA ASP A 78 5.379 -13.019 -2.881 1.00 0.61 C ATOM 942 C ASP A 78 5.630 -13.963 -1.713 1.00 0.63 C ATOM 943 O ASP A 78 6.654 -14.644 -1.650 1.00 0.72 O ATOM 944 CB ASP A 78 6.050 -13.572 -4.143 1.00 0.77 C ATOM 945 CG ASP A 78 5.548 -12.925 -5.416 1.00 1.06 C ATOM 946 OD1 ASP A 78 4.459 -13.312 -5.895 1.00 1.59 O ATOM 947 OD2 ASP A 78 6.251 -12.048 -5.966 1.00 1.85 O ATOM 0 H ASP A 78 6.693 -11.395 -3.095 1.00 0.54 H new ATOM 0 HA ASP A 78 4.305 -12.950 -3.056 1.00 0.61 H new ATOM 0 HB2 ASP A 78 7.127 -13.425 -4.068 1.00 0.77 H new ATOM 0 HB3 ASP A 78 5.878 -14.647 -4.197 1.00 0.77 H new ATOM 952 N THR A 79 4.685 -13.987 -0.788 1.00 0.61 N ATOM 953 CA THR A 79 4.732 -14.894 0.344 1.00 0.72 C ATOM 954 C THR A 79 3.600 -15.920 0.224 1.00 0.78 C ATOM 955 O THR A 79 2.710 -15.750 -0.611 1.00 0.84 O ATOM 956 CB THR A 79 4.604 -14.116 1.671 1.00 0.77 C ATOM 957 OG1 THR A 79 5.184 -12.809 1.525 1.00 1.04 O ATOM 958 CG2 THR A 79 5.312 -14.844 2.804 1.00 1.20 C ATOM 0 H THR A 79 3.866 -13.379 -0.801 1.00 0.61 H new ATOM 0 HA THR A 79 5.692 -15.410 0.342 1.00 0.72 H new ATOM 0 HB THR A 79 3.544 -14.034 1.912 1.00 0.77 H new ATOM 0 HG1 THR A 79 4.547 -12.132 1.836 1.00 1.04 H new ATOM 0 HG21 THR A 79 5.205 -14.273 3.726 1.00 1.20 H new ATOM 0 HG22 THR A 79 4.869 -15.831 2.935 1.00 1.20 H new ATOM 0 HG23 THR A 79 6.370 -14.950 2.563 1.00 1.20 H new ATOM 966 N LYS A 80 3.631 -16.968 1.040 1.00 0.84 N ATOM 967 CA LYS A 80 2.585 -17.994 1.025 1.00 0.92 C ATOM 968 C LYS A 80 1.192 -17.372 1.173 1.00 0.88 C ATOM 969 O LYS A 80 0.317 -17.570 0.332 1.00 0.90 O ATOM 970 CB LYS A 80 2.824 -18.995 2.159 1.00 1.09 C ATOM 971 CG LYS A 80 1.779 -20.098 2.242 1.00 1.65 C ATOM 972 CD LYS A 80 1.922 -20.914 3.521 1.00 2.05 C ATOM 973 CE LYS A 80 1.644 -20.073 4.762 1.00 3.00 C ATOM 974 NZ LYS A 80 1.672 -20.883 6.008 1.00 3.57 N ATOM 0 H LYS A 80 4.370 -17.133 1.723 1.00 0.84 H new ATOM 0 HA LYS A 80 2.629 -18.507 0.064 1.00 0.92 H new ATOM 0 HB2 LYS A 80 3.806 -19.449 2.028 1.00 1.09 H new ATOM 0 HB3 LYS A 80 2.845 -18.457 3.107 1.00 1.09 H new ATOM 0 HG2 LYS A 80 0.782 -19.659 2.200 1.00 1.65 H new ATOM 0 HG3 LYS A 80 1.874 -20.756 1.378 1.00 1.65 H new ATOM 0 HD2 LYS A 80 1.234 -21.759 3.492 1.00 2.05 H new ATOM 0 HD3 LYS A 80 2.930 -21.326 3.579 1.00 2.05 H new ATOM 0 HE2 LYS A 80 2.385 -19.276 4.832 1.00 3.00 H new ATOM 0 HE3 LYS A 80 0.670 -19.595 4.664 1.00 3.00 H new ATOM 0 HZ1 LYS A 80 1.478 -20.270 6.825 1.00 3.57 H new ATOM 0 HZ2 LYS A 80 0.948 -21.628 5.954 1.00 3.57 H new ATOM 0 HZ3 LYS A 80 2.610 -21.319 6.118 1.00 3.57 H new ATOM 988 N ASP A 81 1.014 -16.602 2.239 1.00 0.90 N ATOM 989 CA ASP A 81 -0.283 -16.010 2.572 1.00 0.93 C ATOM 990 C ASP A 81 -0.689 -14.906 1.600 1.00 0.83 C ATOM 991 O ASP A 81 -1.866 -14.584 1.492 1.00 0.82 O ATOM 992 CB ASP A 81 -0.278 -15.458 3.999 1.00 1.08 C ATOM 993 CG ASP A 81 -0.226 -16.551 5.044 1.00 1.46 C ATOM 994 OD1 ASP A 81 -1.299 -16.964 5.531 1.00 2.24 O ATOM 995 OD2 ASP A 81 0.889 -17.000 5.383 1.00 2.00 O ATOM 0 H ASP A 81 1.758 -16.369 2.896 1.00 0.90 H new ATOM 0 HA ASP A 81 -1.017 -16.811 2.492 1.00 0.93 H new ATOM 0 HB2 ASP A 81 0.580 -14.797 4.126 1.00 1.08 H new ATOM 0 HB3 ASP A 81 -1.172 -14.854 4.154 1.00 1.08 H new ATOM 1000 N ALA A 82 0.289 -14.324 0.915 1.00 0.82 N ATOM 1001 CA ALA A 82 0.075 -13.139 0.071 1.00 0.82 C ATOM 1002 C ALA A 82 -1.131 -13.252 -0.872 1.00 0.82 C ATOM 1003 O ALA A 82 -1.719 -12.236 -1.242 1.00 0.84 O ATOM 1004 CB ALA A 82 1.328 -12.844 -0.737 1.00 0.97 C ATOM 0 H ALA A 82 1.254 -14.655 0.925 1.00 0.82 H new ATOM 0 HA ALA A 82 -0.145 -12.319 0.755 1.00 0.82 H new ATOM 0 HB1 ALA A 82 1.161 -11.965 -1.359 1.00 0.97 H new ATOM 0 HB2 ALA A 82 2.162 -12.656 -0.060 1.00 0.97 H new ATOM 0 HB3 ALA A 82 1.561 -13.699 -1.372 1.00 0.97 H new ATOM 1010 N ASP A 83 -1.524 -14.468 -1.238 1.00 0.91 N ATOM 1011 CA ASP A 83 -2.599 -14.651 -2.210 1.00 1.03 C ATOM 1012 C ASP A 83 -3.942 -14.341 -1.568 1.00 0.98 C ATOM 1013 O ASP A 83 -4.872 -13.877 -2.231 1.00 1.03 O ATOM 1014 CB ASP A 83 -2.615 -16.080 -2.767 1.00 1.27 C ATOM 1015 CG ASP A 83 -3.161 -17.089 -1.777 1.00 1.72 C ATOM 1016 OD1 ASP A 83 -4.343 -17.472 -1.899 1.00 2.22 O ATOM 1017 OD2 ASP A 83 -2.415 -17.496 -0.867 1.00 2.33 O ATOM 0 H ASP A 83 -1.120 -15.334 -0.881 1.00 0.91 H new ATOM 0 HA ASP A 83 -2.419 -13.964 -3.037 1.00 1.03 H new ATOM 0 HB2 ASP A 83 -3.218 -16.105 -3.674 1.00 1.27 H new ATOM 0 HB3 ASP A 83 -1.602 -16.366 -3.050 1.00 1.27 H new ATOM 1022 N LYS A 84 -4.036 -14.589 -0.268 1.00 0.96 N ATOM 1023 CA LYS A 84 -5.268 -14.352 0.459 1.00 1.04 C ATOM 1024 C LYS A 84 -5.429 -12.865 0.725 1.00 0.94 C ATOM 1025 O LYS A 84 -6.546 -12.346 0.767 1.00 1.04 O ATOM 1026 CB LYS A 84 -5.292 -15.139 1.777 1.00 1.17 C ATOM 1027 CG LYS A 84 -4.436 -14.539 2.883 1.00 1.67 C ATOM 1028 CD LYS A 84 -4.537 -15.325 4.180 1.00 2.01 C ATOM 1029 CE LYS A 84 -4.099 -16.769 4.001 1.00 2.47 C ATOM 1030 NZ LYS A 84 -3.952 -17.465 5.304 1.00 3.21 N ATOM 0 H LYS A 84 -3.272 -14.954 0.301 1.00 0.96 H new ATOM 0 HA LYS A 84 -6.102 -14.699 -0.151 1.00 1.04 H new ATOM 0 HB2 LYS A 84 -6.322 -15.206 2.127 1.00 1.17 H new ATOM 0 HB3 LYS A 84 -4.954 -16.157 1.584 1.00 1.17 H new ATOM 0 HG2 LYS A 84 -3.396 -14.509 2.559 1.00 1.67 H new ATOM 0 HG3 LYS A 84 -4.745 -13.509 3.060 1.00 1.67 H new ATOM 0 HD2 LYS A 84 -3.919 -14.850 4.942 1.00 2.01 H new ATOM 0 HD3 LYS A 84 -5.565 -15.299 4.541 1.00 2.01 H new ATOM 0 HE2 LYS A 84 -4.829 -17.297 3.387 1.00 2.47 H new ATOM 0 HE3 LYS A 84 -3.151 -16.798 3.464 1.00 2.47 H new ATOM 0 HZ1 LYS A 84 -3.989 -18.494 5.154 1.00 3.21 H new ATOM 0 HZ2 LYS A 84 -3.039 -17.210 5.733 1.00 3.21 H new ATOM 0 HZ3 LYS A 84 -4.724 -17.179 5.939 1.00 3.21 H new ATOM 1044 N VAL A 85 -4.301 -12.178 0.880 1.00 0.80 N ATOM 1045 CA VAL A 85 -4.316 -10.747 1.129 1.00 0.77 C ATOM 1046 C VAL A 85 -4.583 -10.012 -0.180 1.00 0.68 C ATOM 1047 O VAL A 85 -5.307 -9.020 -0.204 1.00 0.75 O ATOM 1048 CB VAL A 85 -2.986 -10.242 1.754 1.00 0.75 C ATOM 1049 CG1 VAL A 85 -3.212 -8.936 2.491 1.00 1.35 C ATOM 1050 CG2 VAL A 85 -2.353 -11.283 2.680 1.00 1.16 C ATOM 0 H VAL A 85 -3.369 -12.591 0.837 1.00 0.80 H new ATOM 0 HA VAL A 85 -5.109 -10.543 1.849 1.00 0.77 H new ATOM 0 HB VAL A 85 -2.285 -10.071 0.937 1.00 0.75 H new ATOM 0 HG11 VAL A 85 -2.271 -8.595 2.923 1.00 1.35 H new ATOM 0 HG12 VAL A 85 -3.585 -8.185 1.795 1.00 1.35 H new ATOM 0 HG13 VAL A 85 -3.942 -9.088 3.286 1.00 1.35 H new ATOM 0 HG21 VAL A 85 -1.426 -10.886 3.094 1.00 1.16 H new ATOM 0 HG22 VAL A 85 -3.042 -11.515 3.492 1.00 1.16 H new ATOM 0 HG23 VAL A 85 -2.139 -12.190 2.115 1.00 1.16 H new ATOM 1060 N LYS A 86 -4.023 -10.529 -1.272 1.00 0.60 N ATOM 1061 CA LYS A 86 -4.284 -9.989 -2.600 1.00 0.59 C ATOM 1062 C LYS A 86 -5.765 -10.120 -2.925 1.00 0.69 C ATOM 1063 O LYS A 86 -6.388 -9.195 -3.449 1.00 0.78 O ATOM 1064 CB LYS A 86 -3.433 -10.731 -3.636 1.00 0.62 C ATOM 1065 CG LYS A 86 -3.820 -10.458 -5.082 1.00 0.79 C ATOM 1066 CD LYS A 86 -2.880 -11.171 -6.042 1.00 1.07 C ATOM 1067 CE LYS A 86 -3.421 -11.189 -7.465 1.00 1.57 C ATOM 1068 NZ LYS A 86 -3.724 -9.827 -7.976 1.00 2.30 N ATOM 0 H LYS A 86 -3.384 -11.324 -1.260 1.00 0.60 H new ATOM 0 HA LYS A 86 -4.016 -8.933 -2.624 1.00 0.59 H new ATOM 0 HB2 LYS A 86 -2.388 -10.455 -3.494 1.00 0.62 H new ATOM 0 HB3 LYS A 86 -3.508 -11.802 -3.449 1.00 0.62 H new ATOM 0 HG2 LYS A 86 -4.844 -10.789 -5.257 1.00 0.79 H new ATOM 0 HG3 LYS A 86 -3.795 -9.385 -5.273 1.00 0.79 H new ATOM 0 HD2 LYS A 86 -1.908 -10.678 -6.030 1.00 1.07 H new ATOM 0 HD3 LYS A 86 -2.722 -12.194 -5.701 1.00 1.07 H new ATOM 0 HE2 LYS A 86 -2.693 -11.666 -8.121 1.00 1.57 H new ATOM 0 HE3 LYS A 86 -4.326 -11.796 -7.499 1.00 1.57 H new ATOM 0 HZ1 LYS A 86 -3.843 -9.862 -9.009 1.00 2.30 H new ATOM 0 HZ2 LYS A 86 -4.601 -9.479 -7.538 1.00 2.30 H new ATOM 0 HZ3 LYS A 86 -2.941 -9.185 -7.739 1.00 2.30 H new ATOM 1082 N LYS A 87 -6.318 -11.278 -2.584 1.00 0.75 N ATOM 1083 CA LYS A 87 -7.722 -11.553 -2.761 1.00 0.89 C ATOM 1084 C LYS A 87 -8.567 -10.526 -2.010 1.00 0.88 C ATOM 1085 O LYS A 87 -9.402 -9.845 -2.601 1.00 0.93 O ATOM 1086 CB LYS A 87 -8.011 -12.958 -2.241 1.00 1.06 C ATOM 1087 CG LYS A 87 -9.386 -13.464 -2.597 1.00 1.85 C ATOM 1088 CD LYS A 87 -9.472 -13.864 -4.059 1.00 2.29 C ATOM 1089 CE LYS A 87 -10.868 -14.329 -4.416 1.00 3.21 C ATOM 1090 NZ LYS A 87 -11.301 -15.496 -3.600 1.00 3.93 N ATOM 0 H LYS A 87 -5.794 -12.052 -2.175 1.00 0.75 H new ATOM 0 HA LYS A 87 -7.978 -11.489 -3.819 1.00 0.89 H new ATOM 0 HB2 LYS A 87 -7.266 -13.645 -2.642 1.00 1.06 H new ATOM 0 HB3 LYS A 87 -7.900 -12.965 -1.157 1.00 1.06 H new ATOM 0 HG2 LYS A 87 -9.633 -14.320 -1.970 1.00 1.85 H new ATOM 0 HG3 LYS A 87 -10.125 -12.691 -2.386 1.00 1.85 H new ATOM 0 HD2 LYS A 87 -9.195 -13.018 -4.688 1.00 2.29 H new ATOM 0 HD3 LYS A 87 -8.757 -14.660 -4.264 1.00 2.29 H new ATOM 0 HE2 LYS A 87 -11.570 -13.508 -4.272 1.00 3.21 H new ATOM 0 HE3 LYS A 87 -10.901 -14.595 -5.473 1.00 3.21 H new ATOM 0 HZ1 LYS A 87 -12.156 -15.915 -4.019 1.00 3.93 H new ATOM 0 HZ2 LYS A 87 -10.542 -16.206 -3.580 1.00 3.93 H new ATOM 0 HZ3 LYS A 87 -11.509 -15.183 -2.630 1.00 3.93 H new ATOM 1104 N GLU A 88 -8.308 -10.397 -0.713 1.00 0.90 N ATOM 1105 CA GLU A 88 -9.081 -9.509 0.149 1.00 0.98 C ATOM 1106 C GLU A 88 -8.940 -8.050 -0.270 1.00 0.96 C ATOM 1107 O GLU A 88 -9.912 -7.293 -0.250 1.00 1.02 O ATOM 1108 CB GLU A 88 -8.644 -9.684 1.601 1.00 1.06 C ATOM 1109 CG GLU A 88 -9.151 -10.966 2.235 1.00 1.16 C ATOM 1110 CD GLU A 88 -10.639 -10.918 2.511 1.00 1.87 C ATOM 1111 OE1 GLU A 88 -11.431 -11.175 1.583 1.00 2.43 O ATOM 1112 OE2 GLU A 88 -11.023 -10.613 3.660 1.00 2.58 O ATOM 0 H GLU A 88 -7.562 -10.901 -0.232 1.00 0.90 H new ATOM 0 HA GLU A 88 -10.132 -9.780 0.050 1.00 0.98 H new ATOM 0 HB2 GLU A 88 -7.555 -9.670 1.649 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -8.999 -8.834 2.184 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -8.932 -11.806 1.576 1.00 1.16 H new ATOM 0 HG3 GLU A 88 -8.616 -11.145 3.168 1.00 1.16 H new ATOM 1119 N ILE A 89 -7.732 -7.650 -0.638 1.00 0.91 N ATOM 1120 CA ILE A 89 -7.494 -6.289 -1.096 1.00 0.93 C ATOM 1121 C ILE A 89 -8.345 -5.969 -2.319 1.00 0.87 C ATOM 1122 O ILE A 89 -9.087 -4.989 -2.316 1.00 0.91 O ATOM 1123 CB ILE A 89 -6.000 -6.032 -1.416 1.00 0.96 C ATOM 1124 CG1 ILE A 89 -5.179 -5.952 -0.126 1.00 1.05 C ATOM 1125 CG2 ILE A 89 -5.826 -4.757 -2.231 1.00 1.03 C ATOM 1126 CD1 ILE A 89 -5.579 -4.806 0.782 1.00 1.17 C ATOM 0 H ILE A 89 -6.904 -8.246 -0.629 1.00 0.91 H new ATOM 0 HA ILE A 89 -7.780 -5.629 -0.277 1.00 0.93 H new ATOM 0 HB ILE A 89 -5.637 -6.870 -2.011 1.00 0.96 H new ATOM 0 HG12 ILE A 89 -5.284 -6.890 0.420 1.00 1.05 H new ATOM 0 HG13 ILE A 89 -4.125 -5.849 -0.383 1.00 1.05 H new ATOM 0 HG21 ILE A 89 -4.768 -4.601 -2.441 1.00 1.03 H new ATOM 0 HG22 ILE A 89 -6.373 -4.848 -3.169 1.00 1.03 H new ATOM 0 HG23 ILE A 89 -6.212 -3.909 -1.666 1.00 1.03 H new ATOM 0 HD11 ILE A 89 -4.954 -4.814 1.675 1.00 1.17 H new ATOM 0 HD12 ILE A 89 -5.447 -3.861 0.255 1.00 1.17 H new ATOM 0 HD13 ILE A 89 -6.624 -4.918 1.070 1.00 1.17 H new ATOM 1138 N GLU A 90 -8.267 -6.809 -3.342 1.00 0.81 N ATOM 1139 CA GLU A 90 -8.963 -6.540 -4.593 1.00 0.79 C ATOM 1140 C GLU A 90 -10.474 -6.700 -4.451 1.00 0.79 C ATOM 1141 O GLU A 90 -11.234 -5.969 -5.085 1.00 0.79 O ATOM 1142 CB GLU A 90 -8.423 -7.429 -5.707 1.00 0.83 C ATOM 1143 CG GLU A 90 -6.972 -7.136 -6.039 1.00 1.35 C ATOM 1144 CD GLU A 90 -6.463 -7.951 -7.201 1.00 1.53 C ATOM 1145 OE1 GLU A 90 -6.470 -7.443 -8.340 1.00 1.94 O ATOM 1146 OE2 GLU A 90 -6.050 -9.105 -6.988 1.00 2.08 O ATOM 0 H GLU A 90 -7.732 -7.677 -3.331 1.00 0.81 H new ATOM 0 HA GLU A 90 -8.775 -5.499 -4.856 1.00 0.79 H new ATOM 0 HB2 GLU A 90 -8.520 -8.474 -5.412 1.00 0.83 H new ATOM 0 HB3 GLU A 90 -9.031 -7.293 -6.602 1.00 0.83 H new ATOM 0 HG2 GLU A 90 -6.863 -6.076 -6.269 1.00 1.35 H new ATOM 0 HG3 GLU A 90 -6.356 -7.337 -5.163 1.00 1.35 H new ATOM 1153 N LYS A 91 -10.916 -7.637 -3.617 1.00 0.85 N ATOM 1154 CA LYS A 91 -12.344 -7.786 -3.351 1.00 0.93 C ATOM 1155 C LYS A 91 -12.886 -6.519 -2.700 1.00 0.96 C ATOM 1156 O LYS A 91 -13.935 -6.004 -3.090 1.00 0.97 O ATOM 1157 CB LYS A 91 -12.622 -8.998 -2.455 1.00 1.11 C ATOM 1158 CG LYS A 91 -12.316 -10.339 -3.112 1.00 1.66 C ATOM 1159 CD LYS A 91 -13.197 -10.604 -4.326 1.00 1.93 C ATOM 1160 CE LYS A 91 -14.664 -10.748 -3.946 1.00 2.60 C ATOM 1161 NZ LYS A 91 -15.514 -11.066 -5.124 1.00 3.12 N ATOM 0 H LYS A 91 -10.316 -8.296 -3.120 1.00 0.85 H new ATOM 0 HA LYS A 91 -12.850 -7.950 -4.303 1.00 0.93 H new ATOM 0 HB2 LYS A 91 -12.029 -8.907 -1.545 1.00 1.11 H new ATOM 0 HB3 LYS A 91 -13.670 -8.983 -2.156 1.00 1.11 H new ATOM 0 HG2 LYS A 91 -11.269 -10.362 -3.414 1.00 1.66 H new ATOM 0 HG3 LYS A 91 -12.455 -11.138 -2.384 1.00 1.66 H new ATOM 0 HD2 LYS A 91 -13.086 -9.788 -5.040 1.00 1.93 H new ATOM 0 HD3 LYS A 91 -12.861 -11.512 -4.826 1.00 1.93 H new ATOM 0 HE2 LYS A 91 -14.770 -11.535 -3.199 1.00 2.60 H new ATOM 0 HE3 LYS A 91 -15.012 -9.823 -3.486 1.00 2.60 H new ATOM 0 HZ1 LYS A 91 -16.505 -11.156 -4.823 1.00 3.12 H new ATOM 0 HZ2 LYS A 91 -15.433 -10.303 -5.826 1.00 3.12 H new ATOM 0 HZ3 LYS A 91 -15.199 -11.962 -5.548 1.00 3.12 H new ATOM 1175 N LYS A 92 -12.147 -6.003 -1.724 1.00 1.03 N ATOM 1176 CA LYS A 92 -12.525 -4.765 -1.057 1.00 1.17 C ATOM 1177 C LYS A 92 -12.346 -3.570 -1.987 1.00 1.08 C ATOM 1178 O LYS A 92 -13.062 -2.582 -1.876 1.00 1.15 O ATOM 1179 CB LYS A 92 -11.715 -4.569 0.229 1.00 1.37 C ATOM 1180 CG LYS A 92 -12.091 -5.551 1.328 1.00 1.59 C ATOM 1181 CD LYS A 92 -11.390 -5.245 2.646 1.00 1.81 C ATOM 1182 CE LYS A 92 -10.046 -5.951 2.766 1.00 2.18 C ATOM 1183 NZ LYS A 92 -9.030 -5.417 1.822 1.00 2.41 N ATOM 0 H LYS A 92 -11.284 -6.423 -1.378 1.00 1.03 H new ATOM 0 HA LYS A 92 -13.580 -4.837 -0.791 1.00 1.17 H new ATOM 0 HB2 LYS A 92 -10.654 -4.675 0.003 1.00 1.37 H new ATOM 0 HB3 LYS A 92 -11.863 -3.552 0.593 1.00 1.37 H new ATOM 0 HG2 LYS A 92 -13.170 -5.527 1.479 1.00 1.59 H new ATOM 0 HG3 LYS A 92 -11.836 -6.562 1.011 1.00 1.59 H new ATOM 0 HD2 LYS A 92 -11.241 -4.169 2.734 1.00 1.81 H new ATOM 0 HD3 LYS A 92 -12.031 -5.547 3.474 1.00 1.81 H new ATOM 0 HE2 LYS A 92 -9.677 -5.849 3.786 1.00 2.18 H new ATOM 0 HE3 LYS A 92 -10.182 -7.017 2.582 1.00 2.18 H new ATOM 0 HZ1 LYS A 92 -8.077 -5.641 2.174 1.00 2.41 H new ATOM 0 HZ2 LYS A 92 -9.164 -5.850 0.886 1.00 2.41 H new ATOM 0 HZ3 LYS A 92 -9.136 -4.385 1.745 1.00 2.41 H new ATOM 1197 N ALA A 93 -11.394 -3.673 -2.906 1.00 0.98 N ATOM 1198 CA ALA A 93 -11.149 -2.619 -3.884 1.00 0.99 C ATOM 1199 C ALA A 93 -12.361 -2.419 -4.783 1.00 0.90 C ATOM 1200 O ALA A 93 -12.755 -1.286 -5.072 1.00 0.98 O ATOM 1201 CB ALA A 93 -9.926 -2.953 -4.723 1.00 1.01 C ATOM 0 H ALA A 93 -10.776 -4.480 -2.995 1.00 0.98 H new ATOM 0 HA ALA A 93 -10.966 -1.690 -3.344 1.00 0.99 H new ATOM 0 HB1 ALA A 93 -9.755 -2.158 -5.449 1.00 1.01 H new ATOM 0 HB2 ALA A 93 -9.055 -3.047 -4.075 1.00 1.01 H new ATOM 0 HB3 ALA A 93 -10.091 -3.894 -5.248 1.00 1.01 H new ATOM 1207 N ARG A 94 -12.950 -3.525 -5.222 1.00 0.82 N ATOM 1208 CA ARG A 94 -14.129 -3.472 -6.074 1.00 0.85 C ATOM 1209 C ARG A 94 -15.334 -3.032 -5.253 1.00 0.86 C ATOM 1210 O ARG A 94 -16.119 -2.182 -5.678 1.00 0.92 O ATOM 1211 CB ARG A 94 -14.406 -4.849 -6.702 1.00 0.93 C ATOM 1212 CG ARG A 94 -13.216 -5.452 -7.433 1.00 1.31 C ATOM 1213 CD ARG A 94 -12.641 -4.505 -8.472 1.00 1.63 C ATOM 1214 NE ARG A 94 -11.548 -5.121 -9.220 1.00 2.21 N ATOM 1215 CZ ARG A 94 -10.783 -4.476 -10.100 1.00 2.80 C ATOM 1216 NH1 ARG A 94 -10.951 -3.174 -10.306 1.00 2.96 N ATOM 1217 NH2 ARG A 94 -9.837 -5.129 -10.762 1.00 3.67 N ATOM 0 H ARG A 94 -12.630 -4.468 -5.002 1.00 0.82 H new ATOM 0 HA ARG A 94 -13.949 -2.754 -6.874 1.00 0.85 H new ATOM 0 HB2 ARG A 94 -14.723 -5.536 -5.918 1.00 0.93 H new ATOM 0 HB3 ARG A 94 -15.238 -4.757 -7.400 1.00 0.93 H new ATOM 0 HG2 ARG A 94 -12.441 -5.710 -6.711 1.00 1.31 H new ATOM 0 HG3 ARG A 94 -13.522 -6.379 -7.918 1.00 1.31 H new ATOM 0 HD2 ARG A 94 -13.428 -4.201 -9.162 1.00 1.63 H new ATOM 0 HD3 ARG A 94 -12.281 -3.601 -7.981 1.00 1.63 H new ATOM 0 HE ARG A 94 -11.358 -6.110 -9.058 1.00 2.21 H new ATOM 0 HH11 ARG A 94 -11.668 -2.664 -9.790 1.00 2.96 H new ATOM 0 HH12 ARG A 94 -10.363 -2.684 -10.981 1.00 2.96 H new ATOM 0 HH21 ARG A 94 -9.695 -6.126 -10.598 1.00 3.67 H new ATOM 0 HH22 ARG A 94 -9.252 -4.635 -11.435 1.00 3.67 H new ATOM 1231 N LYS A 95 -15.451 -3.608 -4.063 1.00 0.90 N ATOM 1232 CA LYS A 95 -16.546 -3.311 -3.149 1.00 1.02 C ATOM 1233 C LYS A 95 -16.573 -1.831 -2.775 1.00 1.02 C ATOM 1234 O LYS A 95 -17.614 -1.177 -2.849 1.00 1.15 O ATOM 1235 CB LYS A 95 -16.397 -4.160 -1.885 1.00 1.23 C ATOM 1236 CG LYS A 95 -17.460 -3.892 -0.833 1.00 1.55 C ATOM 1237 CD LYS A 95 -17.168 -4.647 0.456 1.00 2.10 C ATOM 1238 CE LYS A 95 -17.222 -6.154 0.259 1.00 2.52 C ATOM 1239 NZ LYS A 95 -18.585 -6.619 -0.111 1.00 3.34 N ATOM 0 H LYS A 95 -14.788 -4.295 -3.704 1.00 0.90 H new ATOM 0 HA LYS A 95 -17.484 -3.549 -3.650 1.00 1.02 H new ATOM 0 HB2 LYS A 95 -16.431 -5.214 -2.161 1.00 1.23 H new ATOM 0 HB3 LYS A 95 -15.415 -3.976 -1.450 1.00 1.23 H new ATOM 0 HG2 LYS A 95 -17.509 -2.823 -0.627 1.00 1.55 H new ATOM 0 HG3 LYS A 95 -18.436 -4.188 -1.217 1.00 1.55 H new ATOM 0 HD2 LYS A 95 -16.182 -4.365 0.826 1.00 2.10 H new ATOM 0 HD3 LYS A 95 -17.890 -4.355 1.219 1.00 2.10 H new ATOM 0 HE2 LYS A 95 -16.516 -6.443 -0.520 1.00 2.52 H new ATOM 0 HE3 LYS A 95 -16.906 -6.651 1.176 1.00 2.52 H new ATOM 0 HZ1 LYS A 95 -18.620 -7.658 -0.070 1.00 3.34 H new ATOM 0 HZ2 LYS A 95 -19.279 -6.223 0.554 1.00 3.34 H new ATOM 0 HZ3 LYS A 95 -18.810 -6.302 -1.076 1.00 3.34 H new ATOM 1253 N LYS A 96 -15.421 -1.304 -2.386 1.00 0.97 N ATOM 1254 CA LYS A 96 -15.331 0.070 -1.909 1.00 1.03 C ATOM 1255 C LYS A 96 -15.018 1.038 -3.049 1.00 0.96 C ATOM 1256 O LYS A 96 -14.721 2.208 -2.818 1.00 1.07 O ATOM 1257 CB LYS A 96 -14.264 0.181 -0.814 1.00 1.15 C ATOM 1258 CG LYS A 96 -14.481 -0.773 0.353 1.00 1.29 C ATOM 1259 CD LYS A 96 -15.702 -0.394 1.180 1.00 1.68 C ATOM 1260 CE LYS A 96 -15.483 0.909 1.931 1.00 1.78 C ATOM 1261 NZ LYS A 96 -16.648 1.265 2.779 1.00 2.17 N ATOM 0 H LYS A 96 -14.534 -1.807 -2.391 1.00 0.97 H new ATOM 0 HA LYS A 96 -16.301 0.344 -1.494 1.00 1.03 H new ATOM 0 HB2 LYS A 96 -13.285 -0.013 -1.252 1.00 1.15 H new ATOM 0 HB3 LYS A 96 -14.248 1.204 -0.437 1.00 1.15 H new ATOM 0 HG2 LYS A 96 -14.601 -1.788 -0.026 1.00 1.29 H new ATOM 0 HG3 LYS A 96 -13.597 -0.773 0.991 1.00 1.29 H new ATOM 0 HD2 LYS A 96 -16.569 -0.298 0.527 1.00 1.68 H new ATOM 0 HD3 LYS A 96 -15.924 -1.191 1.889 1.00 1.68 H new ATOM 0 HE2 LYS A 96 -14.593 0.823 2.555 1.00 1.78 H new ATOM 0 HE3 LYS A 96 -15.295 1.711 1.218 1.00 1.78 H new ATOM 0 HZ1 LYS A 96 -16.314 1.603 3.704 1.00 2.17 H new ATOM 0 HZ2 LYS A 96 -17.199 2.015 2.315 1.00 2.17 H new ATOM 0 HZ3 LYS A 96 -17.249 0.427 2.913 1.00 2.17 H new ATOM 1275 N ASN A 97 -15.101 0.510 -4.279 1.00 0.86 N ATOM 1276 CA ASN A 97 -14.888 1.266 -5.528 1.00 0.86 C ATOM 1277 C ASN A 97 -13.683 2.203 -5.463 1.00 0.87 C ATOM 1278 O ASN A 97 -13.753 3.356 -5.887 1.00 1.04 O ATOM 1279 CB ASN A 97 -16.158 2.030 -5.965 1.00 0.97 C ATOM 1280 CG ASN A 97 -16.766 2.919 -4.892 1.00 1.61 C ATOM 1281 OD1 ASN A 97 -17.626 2.480 -4.122 1.00 2.27 O ATOM 1282 ND2 ASN A 97 -16.346 4.173 -4.842 1.00 2.33 N ATOM 0 H ASN A 97 -15.322 -0.473 -4.440 1.00 0.86 H new ATOM 0 HA ASN A 97 -14.665 0.518 -6.289 1.00 0.86 H new ATOM 0 HB2 ASN A 97 -15.915 2.644 -6.832 1.00 0.97 H new ATOM 0 HB3 ASN A 97 -16.908 1.307 -6.286 1.00 0.97 H new ATOM 0 HD21 ASN A 97 -16.735 4.814 -4.150 1.00 2.33 H new ATOM 0 HD22 ASN A 97 -15.634 4.499 -5.495 1.00 2.33 H new ATOM 1289 N LEU A 98 -12.569 1.685 -4.968 1.00 0.78 N ATOM 1290 CA LEU A 98 -11.341 2.462 -4.856 1.00 0.84 C ATOM 1291 C LEU A 98 -10.297 1.965 -5.852 1.00 0.71 C ATOM 1292 O LEU A 98 -10.014 0.766 -5.899 1.00 0.65 O ATOM 1293 CB LEU A 98 -10.785 2.371 -3.435 1.00 1.00 C ATOM 1294 CG LEU A 98 -11.544 3.188 -2.385 1.00 1.40 C ATOM 1295 CD1 LEU A 98 -11.032 2.866 -0.993 1.00 1.70 C ATOM 1296 CD2 LEU A 98 -11.422 4.685 -2.660 1.00 2.08 C ATOM 0 H LEU A 98 -12.489 0.724 -4.635 1.00 0.78 H new ATOM 0 HA LEU A 98 -11.574 3.502 -5.083 1.00 0.84 H new ATOM 0 HB2 LEU A 98 -10.785 1.325 -3.128 1.00 1.00 H new ATOM 0 HB3 LEU A 98 -9.746 2.700 -3.447 1.00 1.00 H new ATOM 0 HG LEU A 98 -12.598 2.917 -2.445 1.00 1.40 H new ATOM 0 HD11 LEU A 98 -11.581 3.455 -0.258 1.00 1.70 H new ATOM 0 HD12 LEU A 98 -11.176 1.805 -0.789 1.00 1.70 H new ATOM 0 HD13 LEU A 98 -9.971 3.107 -0.931 1.00 1.70 H new ATOM 0 HD21 LEU A 98 -11.970 5.241 -1.899 1.00 2.08 H new ATOM 0 HD22 LEU A 98 -10.372 4.975 -2.635 1.00 2.08 H new ATOM 0 HD23 LEU A 98 -11.837 4.909 -3.643 1.00 2.08 H new ATOM 1308 N PRO A 99 -9.744 2.865 -6.694 1.00 0.83 N ATOM 1309 CA PRO A 99 -8.623 2.527 -7.574 1.00 0.85 C ATOM 1310 C PRO A 99 -7.436 1.968 -6.793 1.00 0.70 C ATOM 1311 O PRO A 99 -6.862 2.649 -5.942 1.00 0.77 O ATOM 1312 CB PRO A 99 -8.231 3.860 -8.215 1.00 1.15 C ATOM 1313 CG PRO A 99 -9.421 4.744 -8.075 1.00 1.25 C ATOM 1314 CD PRO A 99 -10.197 4.258 -6.877 1.00 1.10 C ATOM 0 HA PRO A 99 -8.902 1.760 -8.297 1.00 0.85 H new ATOM 0 HB2 PRO A 99 -7.362 4.292 -7.718 1.00 1.15 H new ATOM 0 HB3 PRO A 99 -7.965 3.726 -9.263 1.00 1.15 H new ATOM 0 HG2 PRO A 99 -9.116 5.782 -7.941 1.00 1.25 H new ATOM 0 HG3 PRO A 99 -10.037 4.706 -8.974 1.00 1.25 H new ATOM 0 HD2 PRO A 99 -9.989 4.864 -5.995 1.00 1.10 H new ATOM 0 HD3 PRO A 99 -11.272 4.308 -7.052 1.00 1.10 H new ATOM 1322 N VAL A 100 -7.068 0.735 -7.093 1.00 0.58 N ATOM 1323 CA VAL A 100 -5.966 0.075 -6.405 1.00 0.47 C ATOM 1324 C VAL A 100 -5.017 -0.554 -7.415 1.00 0.42 C ATOM 1325 O VAL A 100 -5.455 -1.196 -8.371 1.00 0.50 O ATOM 1326 CB VAL A 100 -6.471 -1.018 -5.426 1.00 0.46 C ATOM 1327 CG1 VAL A 100 -5.309 -1.725 -4.747 1.00 1.30 C ATOM 1328 CG2 VAL A 100 -7.408 -0.423 -4.385 1.00 1.35 C ATOM 0 H VAL A 100 -7.517 0.166 -7.811 1.00 0.58 H new ATOM 0 HA VAL A 100 -5.442 0.836 -5.827 1.00 0.47 H new ATOM 0 HB VAL A 100 -7.024 -1.754 -6.010 1.00 0.46 H new ATOM 0 HG11 VAL A 100 -5.693 -2.485 -4.067 1.00 1.30 H new ATOM 0 HG12 VAL A 100 -4.680 -2.197 -5.501 1.00 1.30 H new ATOM 0 HG13 VAL A 100 -4.720 -1.000 -4.185 1.00 1.30 H new ATOM 0 HG21 VAL A 100 -7.748 -1.209 -3.711 1.00 1.35 H new ATOM 0 HG22 VAL A 100 -6.880 0.341 -3.815 1.00 1.35 H new ATOM 0 HG23 VAL A 100 -8.268 0.025 -4.883 1.00 1.35 H new ATOM 1338 N ARG A 101 -3.723 -0.344 -7.223 1.00 0.43 N ATOM 1339 CA ARG A 101 -2.714 -0.942 -8.083 1.00 0.43 C ATOM 1340 C ARG A 101 -1.696 -1.701 -7.237 1.00 0.40 C ATOM 1341 O ARG A 101 -1.031 -1.120 -6.379 1.00 0.39 O ATOM 1342 CB ARG A 101 -2.025 0.141 -8.939 1.00 0.49 C ATOM 1343 CG ARG A 101 -2.908 0.661 -10.065 1.00 1.20 C ATOM 1344 CD ARG A 101 -2.199 1.701 -10.921 1.00 1.40 C ATOM 1345 NE ARG A 101 -3.086 2.246 -11.949 1.00 2.23 N ATOM 1346 CZ ARG A 101 -2.672 2.829 -13.075 1.00 2.89 C ATOM 1347 NH1 ARG A 101 -1.376 2.948 -13.334 1.00 2.96 N ATOM 1348 NH2 ARG A 101 -3.559 3.292 -13.943 1.00 3.87 N ATOM 0 H ARG A 101 -3.346 0.239 -6.475 1.00 0.43 H new ATOM 0 HA ARG A 101 -3.195 -1.648 -8.760 1.00 0.43 H new ATOM 0 HB2 ARG A 101 -1.736 0.974 -8.298 1.00 0.49 H new ATOM 0 HB3 ARG A 101 -1.108 -0.268 -9.363 1.00 0.49 H new ATOM 0 HG2 ARG A 101 -3.220 -0.173 -10.694 1.00 1.20 H new ATOM 0 HG3 ARG A 101 -3.813 1.097 -9.642 1.00 1.20 H new ATOM 0 HD2 ARG A 101 -1.836 2.510 -10.286 1.00 1.40 H new ATOM 0 HD3 ARG A 101 -1.326 1.251 -11.394 1.00 1.40 H new ATOM 0 HE ARG A 101 -4.092 2.175 -11.794 1.00 2.23 H new ATOM 0 HH11 ARG A 101 -0.688 2.592 -12.670 1.00 2.96 H new ATOM 0 HH12 ARG A 101 -1.067 3.395 -14.197 1.00 2.96 H new ATOM 0 HH21 ARG A 101 -4.557 3.202 -13.750 1.00 3.87 H new ATOM 0 HH22 ARG A 101 -3.245 3.738 -14.805 1.00 3.87 H new ATOM 1362 N ILE A 102 -1.598 -3.002 -7.471 1.00 0.43 N ATOM 1363 CA ILE A 102 -0.742 -3.866 -6.673 1.00 0.43 C ATOM 1364 C ILE A 102 0.543 -4.213 -7.418 1.00 0.45 C ATOM 1365 O ILE A 102 0.512 -4.565 -8.598 1.00 0.56 O ATOM 1366 CB ILE A 102 -1.472 -5.175 -6.301 1.00 0.54 C ATOM 1367 CG1 ILE A 102 -2.785 -4.870 -5.567 1.00 0.60 C ATOM 1368 CG2 ILE A 102 -0.578 -6.067 -5.450 1.00 0.60 C ATOM 1369 CD1 ILE A 102 -3.587 -6.103 -5.209 1.00 0.76 C ATOM 0 H ILE A 102 -2.105 -3.484 -8.213 1.00 0.43 H new ATOM 0 HA ILE A 102 -0.493 -3.317 -5.765 1.00 0.43 H new ATOM 0 HB ILE A 102 -1.708 -5.708 -7.222 1.00 0.54 H new ATOM 0 HG12 ILE A 102 -2.560 -4.317 -4.655 1.00 0.60 H new ATOM 0 HG13 ILE A 102 -3.397 -4.219 -6.192 1.00 0.60 H new ATOM 0 HG21 ILE A 102 -1.112 -6.984 -5.199 1.00 0.60 H new ATOM 0 HG22 ILE A 102 0.326 -6.314 -6.007 1.00 0.60 H new ATOM 0 HG23 ILE A 102 -0.307 -5.543 -4.534 1.00 0.60 H new ATOM 0 HD11 ILE A 102 -4.500 -5.806 -4.693 1.00 0.76 H new ATOM 0 HD12 ILE A 102 -3.844 -6.646 -6.118 1.00 0.76 H new ATOM 0 HD13 ILE A 102 -2.995 -6.746 -4.558 1.00 0.76 H new ATOM 1381 N ARG A 103 1.667 -4.103 -6.727 1.00 0.41 N ATOM 1382 CA ARG A 103 2.951 -4.514 -7.272 1.00 0.50 C ATOM 1383 C ARG A 103 3.634 -5.499 -6.331 1.00 0.43 C ATOM 1384 O ARG A 103 3.758 -5.243 -5.132 1.00 0.53 O ATOM 1385 CB ARG A 103 3.861 -3.305 -7.501 1.00 0.65 C ATOM 1386 CG ARG A 103 3.414 -2.392 -8.631 1.00 1.12 C ATOM 1387 CD ARG A 103 3.427 -3.110 -9.972 1.00 1.27 C ATOM 1388 NE ARG A 103 3.162 -2.192 -11.077 1.00 1.83 N ATOM 1389 CZ ARG A 103 3.191 -2.531 -12.365 1.00 2.44 C ATOM 1390 NH1 ARG A 103 3.416 -3.788 -12.727 1.00 2.64 N ATOM 1391 NH2 ARG A 103 2.978 -1.609 -13.293 1.00 3.34 N ATOM 0 H ARG A 103 1.715 -3.729 -5.779 1.00 0.41 H new ATOM 0 HA ARG A 103 2.769 -4.999 -8.231 1.00 0.50 H new ATOM 0 HB2 ARG A 103 3.914 -2.725 -6.580 1.00 0.65 H new ATOM 0 HB3 ARG A 103 4.870 -3.659 -7.713 1.00 0.65 H new ATOM 0 HG2 ARG A 103 2.409 -2.023 -8.425 1.00 1.12 H new ATOM 0 HG3 ARG A 103 4.069 -1.522 -8.677 1.00 1.12 H new ATOM 0 HD2 ARG A 103 4.395 -3.588 -10.120 1.00 1.27 H new ATOM 0 HD3 ARG A 103 2.678 -3.902 -9.969 1.00 1.27 H new ATOM 0 HE ARG A 103 2.939 -1.224 -10.846 1.00 1.83 H new ATOM 0 HH11 ARG A 103 3.569 -4.504 -12.017 1.00 2.64 H new ATOM 0 HH12 ARG A 103 3.436 -4.038 -13.716 1.00 2.64 H new ATOM 0 HH21 ARG A 103 2.793 -0.644 -13.020 1.00 3.34 H new ATOM 0 HH22 ARG A 103 2.999 -1.865 -14.280 1.00 3.34 H new ATOM 1405 N LYS A 104 4.057 -6.630 -6.873 1.00 0.38 N ATOM 1406 CA LYS A 104 4.790 -7.621 -6.098 1.00 0.39 C ATOM 1407 C LYS A 104 6.280 -7.316 -6.139 1.00 0.37 C ATOM 1408 O LYS A 104 6.962 -7.660 -7.106 1.00 0.46 O ATOM 1409 CB LYS A 104 4.550 -9.025 -6.655 1.00 0.51 C ATOM 1410 CG LYS A 104 3.102 -9.484 -6.609 1.00 0.63 C ATOM 1411 CD LYS A 104 2.971 -10.895 -7.156 1.00 1.06 C ATOM 1412 CE LYS A 104 1.548 -11.413 -7.064 1.00 1.50 C ATOM 1413 NZ LYS A 104 1.447 -12.813 -7.553 1.00 1.91 N ATOM 0 H LYS A 104 3.905 -6.886 -7.849 1.00 0.38 H new ATOM 0 HA LYS A 104 4.434 -7.580 -5.068 1.00 0.39 H new ATOM 0 HB2 LYS A 104 4.895 -9.056 -7.689 1.00 0.51 H new ATOM 0 HB3 LYS A 104 5.160 -9.733 -6.095 1.00 0.51 H new ATOM 0 HG2 LYS A 104 2.737 -9.451 -5.583 1.00 0.63 H new ATOM 0 HG3 LYS A 104 2.480 -8.803 -7.191 1.00 0.63 H new ATOM 0 HD2 LYS A 104 3.296 -10.912 -8.196 1.00 1.06 H new ATOM 0 HD3 LYS A 104 3.635 -11.560 -6.604 1.00 1.06 H new ATOM 0 HE2 LYS A 104 1.207 -11.362 -6.030 1.00 1.50 H new ATOM 0 HE3 LYS A 104 0.888 -10.773 -7.650 1.00 1.50 H new ATOM 0 HZ1 LYS A 104 0.462 -13.137 -7.477 1.00 1.91 H new ATOM 0 HZ2 LYS A 104 1.750 -12.856 -8.547 1.00 1.91 H new ATOM 0 HZ3 LYS A 104 2.059 -13.427 -6.978 1.00 1.91 H new ATOM 1427 N VAL A 105 6.792 -6.685 -5.094 1.00 0.35 N ATOM 1428 CA VAL A 105 8.181 -6.248 -5.086 1.00 0.39 C ATOM 1429 C VAL A 105 8.892 -6.627 -3.793 1.00 0.46 C ATOM 1430 O VAL A 105 8.294 -6.625 -2.716 1.00 0.52 O ATOM 1431 CB VAL A 105 8.297 -4.716 -5.281 1.00 0.43 C ATOM 1432 CG1 VAL A 105 7.749 -4.297 -6.633 1.00 0.43 C ATOM 1433 CG2 VAL A 105 7.577 -3.967 -4.165 1.00 0.55 C ATOM 0 H VAL A 105 6.271 -6.465 -4.245 1.00 0.35 H new ATOM 0 HA VAL A 105 8.660 -6.760 -5.920 1.00 0.39 H new ATOM 0 HB VAL A 105 9.355 -4.457 -5.243 1.00 0.43 H new ATOM 0 HG11 VAL A 105 7.842 -3.217 -6.745 1.00 0.43 H new ATOM 0 HG12 VAL A 105 8.312 -4.793 -7.423 1.00 0.43 H new ATOM 0 HG13 VAL A 105 6.699 -4.580 -6.703 1.00 0.43 H new ATOM 0 HG21 VAL A 105 7.674 -2.893 -4.326 1.00 0.55 H new ATOM 0 HG22 VAL A 105 6.522 -4.240 -4.165 1.00 0.55 H new ATOM 0 HG23 VAL A 105 8.020 -4.231 -3.205 1.00 0.55 H new ATOM 1443 N THR A 106 10.163 -6.972 -3.915 1.00 0.52 N ATOM 1444 CA THR A 106 11.032 -7.087 -2.763 1.00 0.61 C ATOM 1445 C THR A 106 12.291 -6.264 -3.012 1.00 0.58 C ATOM 1446 O THR A 106 13.248 -6.737 -3.626 1.00 0.67 O ATOM 1447 CB THR A 106 11.418 -8.557 -2.489 1.00 0.80 C ATOM 1448 OG1 THR A 106 10.242 -9.337 -2.242 1.00 1.32 O ATOM 1449 CG2 THR A 106 12.359 -8.666 -1.299 1.00 1.64 C ATOM 0 H THR A 106 10.615 -7.178 -4.806 1.00 0.52 H new ATOM 0 HA THR A 106 10.500 -6.715 -1.888 1.00 0.61 H new ATOM 0 HB THR A 106 11.931 -8.938 -3.372 1.00 0.80 H new ATOM 0 HG1 THR A 106 10.226 -9.617 -1.303 1.00 1.32 H new ATOM 0 HG21 THR A 106 12.613 -9.713 -1.131 1.00 1.64 H new ATOM 0 HG22 THR A 106 13.268 -8.100 -1.501 1.00 1.64 H new ATOM 0 HG23 THR A 106 11.871 -8.264 -0.411 1.00 1.64 H new ATOM 1457 N SER A 107 12.266 -5.026 -2.534 1.00 0.50 N ATOM 1458 CA SER A 107 13.384 -4.105 -2.676 1.00 0.51 C ATOM 1459 C SER A 107 13.010 -2.762 -2.069 1.00 0.45 C ATOM 1460 O SER A 107 11.974 -2.188 -2.413 1.00 0.44 O ATOM 1461 CB SER A 107 13.755 -3.915 -4.152 1.00 0.56 C ATOM 1462 OG SER A 107 14.800 -2.965 -4.304 1.00 1.36 O ATOM 0 H SER A 107 11.467 -4.633 -2.036 1.00 0.50 H new ATOM 0 HA SER A 107 14.246 -4.523 -2.156 1.00 0.51 H new ATOM 0 HB2 SER A 107 14.064 -4.870 -4.577 1.00 0.56 H new ATOM 0 HB3 SER A 107 12.878 -3.587 -4.710 1.00 0.56 H new ATOM 0 HG SER A 107 15.232 -3.090 -5.175 1.00 1.36 H new ATOM 1468 N PRO A 108 13.840 -2.244 -1.152 1.00 0.47 N ATOM 1469 CA PRO A 108 13.611 -0.932 -0.547 1.00 0.49 C ATOM 1470 C PRO A 108 13.710 0.180 -1.585 1.00 0.43 C ATOM 1471 O PRO A 108 13.019 1.191 -1.501 1.00 0.47 O ATOM 1472 CB PRO A 108 14.727 -0.805 0.496 1.00 0.63 C ATOM 1473 CG PRO A 108 15.778 -1.770 0.063 1.00 0.69 C ATOM 1474 CD PRO A 108 15.060 -2.891 -0.633 1.00 0.55 C ATOM 0 HA PRO A 108 12.615 -0.843 -0.113 1.00 0.49 H new ATOM 0 HB2 PRO A 108 15.117 0.212 0.533 1.00 0.63 H new ATOM 0 HB3 PRO A 108 14.361 -1.043 1.495 1.00 0.63 H new ATOM 0 HG2 PRO A 108 16.493 -1.292 -0.606 1.00 0.69 H new ATOM 0 HG3 PRO A 108 16.341 -2.141 0.919 1.00 0.69 H new ATOM 0 HD2 PRO A 108 15.662 -3.317 -1.436 1.00 0.55 H new ATOM 0 HD3 PRO A 108 14.823 -3.704 0.053 1.00 0.55 H new ATOM 1482 N ASP A 109 14.562 -0.037 -2.582 1.00 0.46 N ATOM 1483 CA ASP A 109 14.764 0.933 -3.650 1.00 0.50 C ATOM 1484 C ASP A 109 13.558 0.979 -4.585 1.00 0.41 C ATOM 1485 O ASP A 109 13.068 2.061 -4.920 1.00 0.44 O ATOM 1486 CB ASP A 109 16.034 0.614 -4.444 1.00 0.64 C ATOM 1487 CG ASP A 109 17.301 0.845 -3.642 1.00 1.56 C ATOM 1488 OD1 ASP A 109 17.744 2.010 -3.533 1.00 2.22 O ATOM 1489 OD2 ASP A 109 17.873 -0.137 -3.126 1.00 2.37 O ATOM 0 H ASP A 109 15.126 -0.882 -2.672 1.00 0.46 H new ATOM 0 HA ASP A 109 14.879 1.913 -3.188 1.00 0.50 H new ATOM 0 HB2 ASP A 109 16.001 -0.425 -4.772 1.00 0.64 H new ATOM 0 HB3 ASP A 109 16.060 1.231 -5.342 1.00 0.64 H new ATOM 1494 N GLU A 110 13.077 -0.194 -5.003 1.00 0.38 N ATOM 1495 CA GLU A 110 11.899 -0.269 -5.867 1.00 0.38 C ATOM 1496 C GLU A 110 10.686 0.334 -5.169 1.00 0.36 C ATOM 1497 O GLU A 110 9.908 1.064 -5.786 1.00 0.42 O ATOM 1498 CB GLU A 110 11.598 -1.714 -6.277 1.00 0.43 C ATOM 1499 CG GLU A 110 12.666 -2.341 -7.160 1.00 0.68 C ATOM 1500 CD GLU A 110 12.270 -3.712 -7.680 1.00 1.32 C ATOM 1501 OE1 GLU A 110 11.739 -3.793 -8.809 1.00 2.01 O ATOM 1502 OE2 GLU A 110 12.491 -4.714 -6.969 1.00 2.12 O ATOM 0 H GLU A 110 13.482 -1.098 -4.759 1.00 0.38 H new ATOM 0 HA GLU A 110 12.115 0.304 -6.769 1.00 0.38 H new ATOM 0 HB2 GLU A 110 11.483 -2.320 -5.378 1.00 0.43 H new ATOM 0 HB3 GLU A 110 10.644 -1.740 -6.804 1.00 0.43 H new ATOM 0 HG2 GLU A 110 12.866 -1.681 -8.004 1.00 0.68 H new ATOM 0 HG3 GLU A 110 13.594 -2.426 -6.595 1.00 0.68 H new ATOM 1509 N ALA A 111 10.540 0.037 -3.879 1.00 0.33 N ATOM 1510 CA ALA A 111 9.446 0.586 -3.084 1.00 0.35 C ATOM 1511 C ALA A 111 9.457 2.108 -3.131 1.00 0.34 C ATOM 1512 O ALA A 111 8.441 2.735 -3.422 1.00 0.41 O ATOM 1513 CB ALA A 111 9.539 0.105 -1.642 1.00 0.38 C ATOM 0 H ALA A 111 11.166 -0.581 -3.363 1.00 0.33 H new ATOM 0 HA ALA A 111 8.507 0.233 -3.510 1.00 0.35 H new ATOM 0 HB1 ALA A 111 8.715 0.525 -1.065 1.00 0.38 H new ATOM 0 HB2 ALA A 111 9.482 -0.983 -1.617 1.00 0.38 H new ATOM 0 HB3 ALA A 111 10.486 0.429 -1.211 1.00 0.38 H new ATOM 1519 N LYS A 112 10.625 2.690 -2.866 1.00 0.32 N ATOM 1520 CA LYS A 112 10.789 4.141 -2.877 1.00 0.34 C ATOM 1521 C LYS A 112 10.391 4.734 -4.224 1.00 0.37 C ATOM 1522 O LYS A 112 9.832 5.830 -4.287 1.00 0.42 O ATOM 1523 CB LYS A 112 12.236 4.517 -2.556 1.00 0.40 C ATOM 1524 CG LYS A 112 12.643 4.227 -1.120 1.00 0.48 C ATOM 1525 CD LYS A 112 14.128 4.475 -0.891 1.00 0.62 C ATOM 1526 CE LYS A 112 14.516 5.915 -1.187 1.00 1.11 C ATOM 1527 NZ LYS A 112 15.960 6.164 -0.948 1.00 1.51 N ATOM 0 H LYS A 112 11.476 2.175 -2.640 1.00 0.32 H new ATOM 0 HA LYS A 112 10.131 4.553 -2.112 1.00 0.34 H new ATOM 0 HB2 LYS A 112 12.900 3.974 -3.228 1.00 0.40 H new ATOM 0 HB3 LYS A 112 12.378 5.579 -2.756 1.00 0.40 H new ATOM 0 HG2 LYS A 112 12.062 4.854 -0.444 1.00 0.48 H new ATOM 0 HG3 LYS A 112 12.406 3.191 -0.877 1.00 0.48 H new ATOM 0 HD2 LYS A 112 14.381 4.236 0.142 1.00 0.62 H new ATOM 0 HD3 LYS A 112 14.710 3.805 -1.524 1.00 0.62 H new ATOM 0 HE2 LYS A 112 14.275 6.149 -2.224 1.00 1.11 H new ATOM 0 HE3 LYS A 112 13.925 6.585 -0.563 1.00 1.11 H new ATOM 0 HZ1 LYS A 112 16.181 7.157 -1.162 1.00 1.51 H new ATOM 0 HZ2 LYS A 112 16.186 5.966 0.047 1.00 1.51 H new ATOM 0 HZ3 LYS A 112 16.526 5.544 -1.562 1.00 1.51 H new ATOM 1541 N ARG A 113 10.673 4.005 -5.299 1.00 0.38 N ATOM 1542 CA ARG A 113 10.356 4.478 -6.638 1.00 0.46 C ATOM 1543 C ARG A 113 8.850 4.471 -6.873 1.00 0.43 C ATOM 1544 O ARG A 113 8.265 5.512 -7.167 1.00 0.50 O ATOM 1545 CB ARG A 113 11.054 3.631 -7.704 1.00 0.57 C ATOM 1546 CG ARG A 113 10.743 4.096 -9.124 1.00 0.77 C ATOM 1547 CD ARG A 113 11.622 3.429 -10.177 1.00 1.01 C ATOM 1548 NE ARG A 113 11.406 4.009 -11.503 1.00 1.68 N ATOM 1549 CZ ARG A 113 12.189 3.776 -12.558 1.00 2.13 C ATOM 1550 NH1 ARG A 113 13.239 2.969 -12.445 1.00 1.97 N ATOM 1551 NH2 ARG A 113 11.923 4.352 -13.725 1.00 2.96 N ATOM 0 H ARG A 113 11.119 3.088 -5.268 1.00 0.38 H new ATOM 0 HA ARG A 113 10.720 5.502 -6.718 1.00 0.46 H new ATOM 0 HB2 ARG A 113 12.131 3.667 -7.542 1.00 0.57 H new ATOM 0 HB3 ARG A 113 10.749 2.590 -7.592 1.00 0.57 H new ATOM 0 HG2 ARG A 113 9.697 3.887 -9.347 1.00 0.77 H new ATOM 0 HG3 ARG A 113 10.872 5.177 -9.183 1.00 0.77 H new ATOM 0 HD2 ARG A 113 12.670 3.537 -9.898 1.00 1.01 H new ATOM 0 HD3 ARG A 113 11.408 2.361 -10.207 1.00 1.01 H new ATOM 0 HE ARG A 113 10.607 4.630 -11.629 1.00 1.68 H new ATOM 0 HH11 ARG A 113 13.448 2.526 -11.550 1.00 1.97 H new ATOM 0 HH12 ARG A 113 13.836 2.793 -13.253 1.00 1.97 H new ATOM 0 HH21 ARG A 113 11.119 4.973 -13.816 1.00 2.96 H new ATOM 0 HH22 ARG A 113 12.523 4.173 -14.531 1.00 2.96 H new ATOM 1565 N TRP A 114 8.227 3.301 -6.721 1.00 0.39 N ATOM 1566 CA TRP A 114 6.793 3.158 -6.972 1.00 0.39 C ATOM 1567 C TRP A 114 5.989 4.147 -6.134 1.00 0.40 C ATOM 1568 O TRP A 114 5.048 4.765 -6.627 1.00 0.46 O ATOM 1569 CB TRP A 114 6.321 1.730 -6.686 1.00 0.38 C ATOM 1570 CG TRP A 114 6.785 0.723 -7.695 1.00 0.38 C ATOM 1571 CD1 TRP A 114 7.729 -0.247 -7.519 1.00 0.34 C ATOM 1572 CD2 TRP A 114 6.317 0.588 -9.043 1.00 0.66 C ATOM 1573 NE1 TRP A 114 7.876 -0.977 -8.673 1.00 0.40 N ATOM 1574 CE2 TRP A 114 7.021 -0.484 -9.622 1.00 0.63 C ATOM 1575 CE3 TRP A 114 5.370 1.267 -9.815 1.00 1.00 C ATOM 1576 CZ2 TRP A 114 6.809 -0.890 -10.938 1.00 0.92 C ATOM 1577 CZ3 TRP A 114 5.162 0.864 -11.120 1.00 1.29 C ATOM 1578 CH2 TRP A 114 5.877 -0.207 -11.670 1.00 1.25 C ATOM 0 H TRP A 114 8.691 2.442 -6.426 1.00 0.39 H new ATOM 0 HA TRP A 114 6.625 3.375 -8.027 1.00 0.39 H new ATOM 0 HB2 TRP A 114 6.676 1.431 -5.700 1.00 0.38 H new ATOM 0 HB3 TRP A 114 5.232 1.718 -6.650 1.00 0.38 H new ATOM 0 HD1 TRP A 114 8.280 -0.416 -6.606 1.00 0.34 H new ATOM 0 HE1 TRP A 114 8.518 -1.759 -8.802 1.00 0.40 H new ATOM 0 HE3 TRP A 114 4.811 2.092 -9.399 1.00 1.00 H new ATOM 0 HZ2 TRP A 114 7.361 -1.714 -11.365 1.00 0.92 H new ATOM 0 HZ3 TRP A 114 4.435 1.384 -11.727 1.00 1.29 H new ATOM 0 HH2 TRP A 114 5.689 -0.500 -12.692 1.00 1.25 H new ATOM 1589 N ILE A 115 6.377 4.303 -4.877 1.00 0.38 N ATOM 1590 CA ILE A 115 5.715 5.244 -3.985 1.00 0.41 C ATOM 1591 C ILE A 115 5.794 6.669 -4.538 1.00 0.47 C ATOM 1592 O ILE A 115 4.774 7.344 -4.684 1.00 0.55 O ATOM 1593 CB ILE A 115 6.333 5.203 -2.568 1.00 0.40 C ATOM 1594 CG1 ILE A 115 6.043 3.856 -1.896 1.00 0.40 C ATOM 1595 CG2 ILE A 115 5.811 6.349 -1.714 1.00 0.45 C ATOM 1596 CD1 ILE A 115 6.691 3.699 -0.537 1.00 0.44 C ATOM 0 H ILE A 115 7.148 3.789 -4.451 1.00 0.38 H new ATOM 0 HA ILE A 115 4.669 4.946 -3.918 1.00 0.41 H new ATOM 0 HB ILE A 115 7.413 5.318 -2.665 1.00 0.40 H new ATOM 0 HG12 ILE A 115 4.965 3.738 -1.790 1.00 0.40 H new ATOM 0 HG13 ILE A 115 6.388 3.054 -2.548 1.00 0.40 H new ATOM 0 HG21 ILE A 115 6.261 6.298 -0.722 1.00 0.45 H new ATOM 0 HG22 ILE A 115 6.071 7.299 -2.182 1.00 0.45 H new ATOM 0 HG23 ILE A 115 4.727 6.272 -1.625 1.00 0.45 H new ATOM 0 HD11 ILE A 115 6.440 2.721 -0.125 1.00 0.44 H new ATOM 0 HD12 ILE A 115 7.773 3.784 -0.638 1.00 0.44 H new ATOM 0 HD13 ILE A 115 6.327 4.479 0.132 1.00 0.44 H new ATOM 1608 N LYS A 116 7.000 7.103 -4.883 1.00 0.50 N ATOM 1609 CA LYS A 116 7.227 8.483 -5.304 1.00 0.60 C ATOM 1610 C LYS A 116 6.628 8.781 -6.672 1.00 0.57 C ATOM 1611 O LYS A 116 6.221 9.912 -6.939 1.00 0.69 O ATOM 1612 CB LYS A 116 8.719 8.806 -5.302 1.00 0.73 C ATOM 1613 CG LYS A 116 9.200 9.418 -3.996 1.00 1.18 C ATOM 1614 CD LYS A 116 8.596 10.799 -3.766 1.00 1.85 C ATOM 1615 CE LYS A 116 9.094 11.802 -4.794 1.00 2.50 C ATOM 1616 NZ LYS A 116 8.427 13.124 -4.662 1.00 3.13 N ATOM 0 H LYS A 116 7.837 6.520 -4.880 1.00 0.50 H new ATOM 0 HA LYS A 116 6.718 9.121 -4.581 1.00 0.60 H new ATOM 0 HB2 LYS A 116 9.282 7.893 -5.496 1.00 0.73 H new ATOM 0 HB3 LYS A 116 8.936 9.494 -6.119 1.00 0.73 H new ATOM 0 HG2 LYS A 116 8.935 8.762 -3.167 1.00 1.18 H new ATOM 0 HG3 LYS A 116 10.287 9.493 -4.008 1.00 1.18 H new ATOM 0 HD2 LYS A 116 7.509 10.735 -3.815 1.00 1.85 H new ATOM 0 HD3 LYS A 116 8.850 11.146 -2.764 1.00 1.85 H new ATOM 0 HE2 LYS A 116 10.171 11.928 -4.683 1.00 2.50 H new ATOM 0 HE3 LYS A 116 8.921 11.409 -5.796 1.00 2.50 H new ATOM 0 HZ1 LYS A 116 8.998 13.850 -5.140 1.00 3.13 H new ATOM 0 HZ2 LYS A 116 7.484 13.082 -5.099 1.00 3.13 H new ATOM 0 HZ3 LYS A 116 8.332 13.366 -3.655 1.00 3.13 H new ATOM 1630 N GLU A 117 6.565 7.781 -7.538 1.00 0.53 N ATOM 1631 CA GLU A 117 5.982 7.974 -8.859 1.00 0.58 C ATOM 1632 C GLU A 117 4.466 8.131 -8.760 1.00 0.57 C ATOM 1633 O GLU A 117 3.828 8.700 -9.646 1.00 0.66 O ATOM 1634 CB GLU A 117 6.340 6.817 -9.790 1.00 0.70 C ATOM 1635 CG GLU A 117 7.835 6.666 -10.020 1.00 1.28 C ATOM 1636 CD GLU A 117 8.168 5.656 -11.100 1.00 1.51 C ATOM 1637 OE1 GLU A 117 7.417 4.672 -11.261 1.00 2.14 O ATOM 1638 OE2 GLU A 117 9.194 5.841 -11.792 1.00 1.93 O ATOM 0 H GLU A 117 6.906 6.837 -7.354 1.00 0.53 H new ATOM 0 HA GLU A 117 6.398 8.889 -9.280 1.00 0.58 H new ATOM 0 HB2 GLU A 117 5.949 5.890 -9.371 1.00 0.70 H new ATOM 0 HB3 GLU A 117 5.846 6.967 -10.750 1.00 0.70 H new ATOM 0 HG2 GLU A 117 8.255 7.634 -10.293 1.00 1.28 H new ATOM 0 HG3 GLU A 117 8.312 6.364 -9.088 1.00 1.28 H new ATOM 1645 N PHE A 118 3.896 7.622 -7.678 1.00 0.56 N ATOM 1646 CA PHE A 118 2.475 7.798 -7.405 1.00 0.66 C ATOM 1647 C PHE A 118 2.235 9.060 -6.575 1.00 0.73 C ATOM 1648 O PHE A 118 1.122 9.581 -6.521 1.00 0.88 O ATOM 1649 CB PHE A 118 1.912 6.572 -6.682 1.00 0.73 C ATOM 1650 CG PHE A 118 1.570 5.427 -7.599 1.00 0.69 C ATOM 1651 CD1 PHE A 118 2.546 4.805 -8.360 1.00 1.33 C ATOM 1652 CD2 PHE A 118 0.264 4.972 -7.697 1.00 1.27 C ATOM 1653 CE1 PHE A 118 2.227 3.756 -9.200 1.00 1.57 C ATOM 1654 CE2 PHE A 118 -0.060 3.923 -8.535 1.00 1.56 C ATOM 1655 CZ PHE A 118 0.924 3.315 -9.286 1.00 1.41 C ATOM 0 H PHE A 118 4.396 7.082 -6.972 1.00 0.56 H new ATOM 0 HA PHE A 118 1.957 7.909 -8.358 1.00 0.66 H new ATOM 0 HB2 PHE A 118 2.640 6.230 -5.946 1.00 0.73 H new ATOM 0 HB3 PHE A 118 1.017 6.865 -6.133 1.00 0.73 H new ATOM 0 HD1 PHE A 118 3.569 5.145 -8.296 1.00 1.33 H new ATOM 0 HD2 PHE A 118 -0.510 5.444 -7.110 1.00 1.27 H new ATOM 0 HE1 PHE A 118 2.998 3.282 -9.789 1.00 1.57 H new ATOM 0 HE2 PHE A 118 -1.082 3.580 -8.602 1.00 1.56 H new ATOM 0 HZ PHE A 118 0.674 2.494 -9.941 1.00 1.41 H new ATOM 1665 N SER A 119 3.294 9.562 -5.947 1.00 0.69 N ATOM 1666 CA SER A 119 3.189 10.730 -5.078 1.00 0.80 C ATOM 1667 C SER A 119 2.980 12.010 -5.884 1.00 0.79 C ATOM 1668 O SER A 119 2.516 13.019 -5.351 1.00 0.90 O ATOM 1669 CB SER A 119 4.449 10.875 -4.219 1.00 0.93 C ATOM 1670 OG SER A 119 4.726 9.691 -3.499 1.00 1.20 O ATOM 0 H SER A 119 4.236 9.178 -6.024 1.00 0.69 H new ATOM 0 HA SER A 119 2.322 10.578 -4.435 1.00 0.80 H new ATOM 0 HB2 SER A 119 5.298 11.121 -4.856 1.00 0.93 H new ATOM 0 HB3 SER A 119 4.322 11.704 -3.523 1.00 0.93 H new ATOM 0 HG SER A 119 4.619 8.916 -4.090 1.00 1.20 H new ATOM 1676 N GLU A 120 3.298 11.964 -7.171 1.00 0.81 N ATOM 1677 CA GLU A 120 3.307 13.168 -7.988 1.00 0.96 C ATOM 1678 C GLU A 120 1.973 13.367 -8.704 1.00 1.17 C ATOM 1679 O GLU A 120 1.924 13.928 -9.798 1.00 1.50 O ATOM 1680 CB GLU A 120 4.451 13.112 -9.006 1.00 1.08 C ATOM 1681 CG GLU A 120 5.818 12.866 -8.383 1.00 1.41 C ATOM 1682 CD GLU A 120 6.147 13.845 -7.272 1.00 2.00 C ATOM 1683 OE1 GLU A 120 6.382 15.034 -7.567 1.00 2.45 O ATOM 1684 OE2 GLU A 120 6.185 13.426 -6.094 1.00 2.77 O ATOM 0 H GLU A 120 3.552 11.111 -7.669 1.00 0.81 H new ATOM 0 HA GLU A 120 3.462 14.019 -7.325 1.00 0.96 H new ATOM 0 HB2 GLU A 120 4.244 12.322 -9.728 1.00 1.08 H new ATOM 0 HB3 GLU A 120 4.478 14.051 -9.560 1.00 1.08 H new ATOM 0 HG2 GLU A 120 5.854 11.851 -7.988 1.00 1.41 H new ATOM 0 HG3 GLU A 120 6.582 12.934 -9.158 1.00 1.41 H new ATOM 1691 N GLU A 121 0.896 12.899 -8.093 1.00 1.22 N ATOM 1692 CA GLU A 121 -0.435 13.109 -8.638 1.00 1.56 C ATOM 1693 C GLU A 121 -1.202 14.105 -7.784 1.00 2.02 C ATOM 1694 O GLU A 121 -1.164 15.313 -8.098 1.00 2.60 O ATOM 1695 CB GLU A 121 -1.210 11.794 -8.733 1.00 1.96 C ATOM 1696 CG GLU A 121 -0.641 10.819 -9.745 1.00 2.47 C ATOM 1697 CD GLU A 121 -1.564 9.647 -9.992 1.00 3.35 C ATOM 1698 OE1 GLU A 121 -2.560 9.813 -10.730 1.00 4.00 O ATOM 1699 OE2 GLU A 121 -1.300 8.550 -9.469 1.00 3.84 O ATOM 1700 OXT GLU A 121 -1.828 13.683 -6.793 1.00 2.53 O ATOM 0 H GLU A 121 0.918 12.372 -7.220 1.00 1.22 H new ATOM 0 HA GLU A 121 -0.325 13.511 -9.645 1.00 1.56 H new ATOM 0 HB2 GLU A 121 -1.222 11.319 -7.752 1.00 1.96 H new ATOM 0 HB3 GLU A 121 -2.245 12.012 -8.995 1.00 1.96 H new ATOM 0 HG2 GLU A 121 -0.458 11.339 -10.685 1.00 2.47 H new ATOM 0 HG3 GLU A 121 0.322 10.452 -9.391 1.00 2.47 H new TER 1707 GLU A 121