USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 THR OG1 : rot -104:sc= 0.895 USER MOD Set 1.2: A 32 THR OG1 : rot -170:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.04 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0535 X(o=-0.053,f=-0.053) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -170:sc= 1.18 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 170:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 154:sc= -0.383 (180deg=-1.41!) USER MOD Single : A 52 ASN : amide:sc= -0.988 K(o=-0.99,f=-5.8!) USER MOD Single : A 55 LYS NZ :NH3+ 171:sc= -0.0134 (180deg=-0.112) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 161:sc= 0.807 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0288 K(o=-0.029,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.921 -12.520 2.681 1.00 13.00 N ATOM 2 CA GLY A 1 25.597 -13.891 3.159 1.00 45.03 C ATOM 3 C GLY A 1 24.142 -14.037 3.561 1.00 41.03 C ATOM 4 O GLY A 1 23.282 -13.300 3.080 1.00 70.10 O ATOM 0 H1 GLY A 1 26.436 -12.579 1.779 1.00 13.00 H new ATOM 0 H2 GLY A 1 25.041 -11.983 2.543 1.00 13.00 H new ATOM 0 H3 GLY A 1 26.513 -12.037 3.386 1.00 13.00 H new ATOM 0 HA2 GLY A 1 25.827 -14.610 2.373 1.00 45.03 H new ATOM 0 HA3 GLY A 1 26.232 -14.135 4.011 1.00 45.03 H new ATOM 10 N SER A 2 23.868 -14.990 4.446 1.00 61.55 N ATOM 11 CA SER A 2 22.508 -15.230 4.913 1.00 62.34 C ATOM 12 C SER A 2 21.594 -15.611 3.754 1.00 72.15 C ATOM 13 O SER A 2 22.036 -15.712 2.609 1.00 23.13 O ATOM 14 CB SER A 2 21.962 -13.988 5.621 1.00 41.51 C ATOM 15 OG SER A 2 22.454 -13.900 6.948 1.00 63.13 O ATOM 0 H SER A 2 24.569 -15.608 4.854 1.00 61.55 H new ATOM 0 HA SER A 2 22.535 -16.060 5.619 1.00 62.34 H new ATOM 0 HB2 SER A 2 22.245 -13.094 5.065 1.00 41.51 H new ATOM 0 HB3 SER A 2 20.873 -14.023 5.635 1.00 41.51 H new ATOM 0 HG SER A 2 22.092 -13.097 7.378 1.00 63.13 H new ATOM 21 N GLY A 3 20.317 -15.821 4.057 1.00 5.02 N ATOM 22 CA GLY A 3 19.360 -16.189 3.029 1.00 31.33 C ATOM 23 C GLY A 3 17.943 -15.791 3.387 1.00 14.51 C ATOM 24 O GLY A 3 17.081 -16.649 3.582 1.00 12.24 O ATOM 0 H GLY A 3 19.927 -15.743 4.996 1.00 5.02 H new ATOM 0 HA2 GLY A 3 19.641 -15.714 2.089 1.00 31.33 H new ATOM 0 HA3 GLY A 3 19.402 -17.266 2.867 1.00 31.33 H new ATOM 28 N MET A 4 17.700 -14.487 3.475 1.00 51.55 N ATOM 29 CA MET A 4 16.375 -13.978 3.812 1.00 51.14 C ATOM 30 C MET A 4 15.949 -12.883 2.838 1.00 52.23 C ATOM 31 O MET A 4 16.778 -12.113 2.354 1.00 50.10 O ATOM 32 CB MET A 4 16.364 -13.436 5.243 1.00 11.03 C ATOM 33 CG MET A 4 15.055 -13.682 5.975 1.00 1.15 C ATOM 34 SD MET A 4 14.813 -12.554 7.361 1.00 64.35 S ATOM 35 CE MET A 4 15.951 -13.243 8.561 1.00 33.40 C ATOM 0 H MET A 4 18.402 -13.764 3.318 1.00 51.55 H new ATOM 0 HA MET A 4 15.666 -14.802 3.737 1.00 51.14 H new ATOM 0 HB2 MET A 4 17.177 -13.897 5.804 1.00 11.03 H new ATOM 0 HB3 MET A 4 16.562 -12.364 5.219 1.00 11.03 H new ATOM 0 HG2 MET A 4 14.226 -13.575 5.275 1.00 1.15 H new ATOM 0 HG3 MET A 4 15.034 -14.709 6.339 1.00 1.15 H new ATOM 0 HE1 MET A 4 15.916 -12.652 9.476 1.00 33.40 H new ATOM 0 HE2 MET A 4 15.668 -14.272 8.782 1.00 33.40 H new ATOM 0 HE3 MET A 4 16.963 -13.224 8.156 1.00 33.40 H new ATOM 45 N LYS A 5 14.652 -12.821 2.557 1.00 31.03 N ATOM 46 CA LYS A 5 14.117 -11.820 1.641 1.00 2.22 C ATOM 47 C LYS A 5 12.880 -11.149 2.231 1.00 51.41 C ATOM 48 O LYS A 5 11.917 -11.818 2.604 1.00 72.14 O ATOM 49 CB LYS A 5 13.768 -12.463 0.297 1.00 15.00 C ATOM 50 CG LYS A 5 14.980 -12.970 -0.467 1.00 33.32 C ATOM 51 CD LYS A 5 14.610 -14.099 -1.415 1.00 71.24 C ATOM 52 CE LYS A 5 15.370 -13.996 -2.728 1.00 11.02 C ATOM 53 NZ LYS A 5 16.563 -14.887 -2.751 1.00 64.20 N ATOM 0 H LYS A 5 13.952 -13.451 2.950 1.00 31.03 H new ATOM 0 HA LYS A 5 14.883 -11.060 1.486 1.00 2.22 H new ATOM 0 HB2 LYS A 5 13.083 -13.293 0.468 1.00 15.00 H new ATOM 0 HB3 LYS A 5 13.239 -11.735 -0.318 1.00 15.00 H new ATOM 0 HG2 LYS A 5 15.424 -12.150 -1.032 1.00 33.32 H new ATOM 0 HG3 LYS A 5 15.736 -13.318 0.237 1.00 33.32 H new ATOM 0 HD2 LYS A 5 14.826 -15.057 -0.943 1.00 71.24 H new ATOM 0 HD3 LYS A 5 13.538 -14.074 -1.611 1.00 71.24 H new ATOM 0 HE2 LYS A 5 14.707 -14.256 -3.553 1.00 11.02 H new ATOM 0 HE3 LYS A 5 15.684 -12.964 -2.885 1.00 11.02 H new ATOM 0 HZ1 LYS A 5 17.053 -14.787 -3.663 1.00 64.20 H new ATOM 0 HZ2 LYS A 5 17.209 -14.623 -1.980 1.00 64.20 H new ATOM 0 HZ3 LYS A 5 16.261 -15.874 -2.627 1.00 64.20 H new ATOM 67 N GLU A 6 12.915 -9.822 2.311 1.00 3.51 N ATOM 68 CA GLU A 6 11.797 -9.060 2.855 1.00 50.31 C ATOM 69 C GLU A 6 10.674 -8.936 1.830 1.00 74.12 C ATOM 70 O GLU A 6 10.872 -8.394 0.742 1.00 31.42 O ATOM 71 CB GLU A 6 12.264 -7.669 3.289 1.00 21.23 C ATOM 72 CG GLU A 6 11.567 -7.156 4.538 1.00 4.32 C ATOM 73 CD GLU A 6 12.516 -6.451 5.487 1.00 5.03 C ATOM 74 OE1 GLU A 6 13.581 -5.988 5.027 1.00 64.32 O ATOM 75 OE2 GLU A 6 12.194 -6.360 6.691 1.00 25.31 O ATOM 0 H GLU A 6 13.705 -9.253 2.006 1.00 3.51 H new ATOM 0 HA GLU A 6 11.414 -9.594 3.724 1.00 50.31 H new ATOM 0 HB2 GLU A 6 13.339 -7.695 3.468 1.00 21.23 H new ATOM 0 HB3 GLU A 6 12.093 -6.967 2.473 1.00 21.23 H new ATOM 0 HG2 GLU A 6 10.771 -6.470 4.249 1.00 4.32 H new ATOM 0 HG3 GLU A 6 11.095 -7.991 5.056 1.00 4.32 H new ATOM 82 N PHE A 7 9.498 -9.441 2.184 1.00 12.34 N ATOM 83 CA PHE A 7 8.343 -9.387 1.294 1.00 72.33 C ATOM 84 C PHE A 7 7.090 -8.951 2.049 1.00 64.42 C ATOM 85 O PHE A 7 7.075 -8.921 3.281 1.00 12.34 O ATOM 86 CB PHE A 7 8.103 -10.749 0.631 1.00 10.32 C ATOM 87 CG PHE A 7 8.613 -11.916 1.431 1.00 63.12 C ATOM 88 CD1 PHE A 7 8.143 -12.153 2.713 1.00 51.23 C ATOM 89 CD2 PHE A 7 9.562 -12.774 0.901 1.00 14.34 C ATOM 90 CE1 PHE A 7 8.609 -13.224 3.450 1.00 21.01 C ATOM 91 CE2 PHE A 7 10.033 -13.848 1.634 1.00 1.23 C ATOM 92 CZ PHE A 7 9.555 -14.073 2.910 1.00 33.20 C ATOM 0 H PHE A 7 9.319 -9.893 3.081 1.00 12.34 H new ATOM 0 HA PHE A 7 8.557 -8.650 0.520 1.00 72.33 H new ATOM 0 HB2 PHE A 7 7.034 -10.876 0.463 1.00 10.32 H new ATOM 0 HB3 PHE A 7 8.583 -10.755 -0.348 1.00 10.32 H new ATOM 0 HD1 PHE A 7 7.404 -11.492 3.141 1.00 51.23 H new ATOM 0 HD2 PHE A 7 9.939 -12.602 -0.097 1.00 14.34 H new ATOM 0 HE1 PHE A 7 8.234 -13.397 4.448 1.00 21.01 H new ATOM 0 HE2 PHE A 7 10.773 -14.510 1.209 1.00 1.23 H new ATOM 0 HZ PHE A 7 9.920 -14.911 3.485 1.00 33.20 H new ATOM 102 N PRO A 8 6.019 -8.604 1.316 1.00 43.45 N ATOM 103 CA PRO A 8 4.757 -8.169 1.906 1.00 73.54 C ATOM 104 C PRO A 8 3.819 -9.334 2.178 1.00 53.23 C ATOM 105 O PRO A 8 4.225 -10.496 2.126 1.00 60.40 O ATOM 106 CB PRO A 8 4.191 -7.276 0.810 1.00 63.11 C ATOM 107 CG PRO A 8 4.624 -7.938 -0.455 1.00 22.45 C ATOM 108 CD PRO A 8 5.946 -8.609 -0.158 1.00 2.34 C ATOM 0 HA PRO A 8 4.884 -7.680 2.872 1.00 73.54 H new ATOM 0 HB2 PRO A 8 3.105 -7.207 0.873 1.00 63.11 H new ATOM 0 HB3 PRO A 8 4.580 -6.260 0.882 1.00 63.11 H new ATOM 0 HG2 PRO A 8 3.884 -8.668 -0.784 1.00 22.45 H new ATOM 0 HG3 PRO A 8 4.731 -7.208 -1.258 1.00 22.45 H new ATOM 0 HD2 PRO A 8 5.979 -9.623 -0.557 1.00 2.34 H new ATOM 0 HD3 PRO A 8 6.780 -8.065 -0.602 1.00 2.34 H new ATOM 116 N CYS A 9 2.560 -9.021 2.458 1.00 73.50 N ATOM 117 CA CYS A 9 1.567 -10.050 2.723 1.00 71.31 C ATOM 118 C CYS A 9 0.663 -10.245 1.513 1.00 50.22 C ATOM 119 O CYS A 9 0.266 -11.367 1.201 1.00 63.45 O ATOM 120 CB CYS A 9 0.730 -9.692 3.953 1.00 35.35 C ATOM 121 SG CYS A 9 0.056 -7.999 3.943 1.00 61.45 S ATOM 0 H CYS A 9 2.205 -8.066 2.507 1.00 73.50 H new ATOM 0 HA CYS A 9 2.093 -10.984 2.922 1.00 71.31 H new ATOM 0 HB2 CYS A 9 -0.097 -10.398 4.032 1.00 35.35 H new ATOM 0 HB3 CYS A 9 1.344 -9.819 4.844 1.00 35.35 H new ATOM 126 N TRP A 10 0.347 -9.146 0.828 1.00 35.33 N ATOM 127 CA TRP A 10 -0.509 -9.197 -0.349 1.00 21.04 C ATOM 128 C TRP A 10 0.111 -10.050 -1.452 1.00 44.23 C ATOM 129 O TRP A 10 -0.575 -10.455 -2.391 1.00 71.43 O ATOM 130 CB TRP A 10 -0.788 -7.785 -0.865 1.00 52.13 C ATOM 131 CG TRP A 10 0.442 -6.953 -1.063 1.00 25.45 C ATOM 132 CD1 TRP A 10 1.014 -6.100 -0.163 1.00 32.30 C ATOM 133 CD2 TRP A 10 1.242 -6.884 -2.245 1.00 64.51 C ATOM 134 NE1 TRP A 10 2.122 -5.504 -0.719 1.00 32.22 N ATOM 135 CE2 TRP A 10 2.284 -5.972 -1.995 1.00 35.24 C ATOM 136 CE3 TRP A 10 1.176 -7.510 -3.488 1.00 40.54 C ATOM 137 CZ2 TRP A 10 3.252 -5.670 -2.950 1.00 5.42 C ATOM 138 CZ3 TRP A 10 2.137 -7.211 -4.436 1.00 23.13 C ATOM 139 CH2 TRP A 10 3.163 -6.298 -4.163 1.00 22.11 C ATOM 0 H TRP A 10 0.673 -8.211 1.071 1.00 35.33 H new ATOM 0 HA TRP A 10 -1.451 -9.661 -0.056 1.00 21.04 H new ATOM 0 HB2 TRP A 10 -1.323 -7.855 -1.812 1.00 52.13 H new ATOM 0 HB3 TRP A 10 -1.448 -7.277 -0.163 1.00 52.13 H new ATOM 0 HD1 TRP A 10 0.650 -5.920 0.838 1.00 32.30 H new ATOM 0 HE1 TRP A 10 2.725 -4.824 -0.256 1.00 32.22 H new ATOM 0 HE3 TRP A 10 0.389 -8.216 -3.707 1.00 40.54 H new ATOM 0 HZ2 TRP A 10 4.044 -4.966 -2.741 1.00 5.42 H new ATOM 0 HZ3 TRP A 10 2.096 -7.690 -5.403 1.00 23.13 H new ATOM 0 HH2 TRP A 10 3.899 -6.085 -4.925 1.00 22.11 H new ATOM 150 N LEU A 11 1.406 -10.325 -1.335 1.00 50.21 N ATOM 151 CA LEU A 11 2.102 -11.138 -2.323 1.00 53.45 C ATOM 152 C LEU A 11 1.936 -12.630 -2.030 1.00 25.11 C ATOM 153 O LEU A 11 2.557 -13.470 -2.681 1.00 5.44 O ATOM 154 CB LEU A 11 3.585 -10.766 -2.358 1.00 42.15 C ATOM 155 CG LEU A 11 3.917 -9.559 -3.235 1.00 3.45 C ATOM 156 CD1 LEU A 11 5.398 -9.217 -3.144 1.00 40.54 C ATOM 157 CD2 LEU A 11 3.517 -9.828 -4.679 1.00 3.13 C ATOM 0 H LEU A 11 1.993 -9.997 -0.568 1.00 50.21 H new ATOM 0 HA LEU A 11 1.660 -10.937 -3.299 1.00 53.45 H new ATOM 0 HB2 LEU A 11 3.919 -10.562 -1.341 1.00 42.15 H new ATOM 0 HB3 LEU A 11 4.153 -11.625 -2.714 1.00 42.15 H new ATOM 0 HG LEU A 11 3.348 -8.703 -2.871 1.00 3.45 H new ATOM 0 HD11 LEU A 11 5.612 -8.355 -3.776 1.00 40.54 H new ATOM 0 HD12 LEU A 11 5.654 -8.982 -2.111 1.00 40.54 H new ATOM 0 HD13 LEU A 11 5.989 -10.069 -3.480 1.00 40.54 H new ATOM 0 HD21 LEU A 11 3.759 -8.960 -5.292 1.00 3.13 H new ATOM 0 HD22 LEU A 11 4.059 -10.697 -5.051 1.00 3.13 H new ATOM 0 HD23 LEU A 11 2.445 -10.020 -4.730 1.00 3.13 H new ATOM 169 N VAL A 12 1.090 -12.954 -1.051 1.00 72.05 N ATOM 170 CA VAL A 12 0.838 -14.341 -0.679 1.00 61.41 C ATOM 171 C VAL A 12 -0.467 -14.466 0.103 1.00 70.23 C ATOM 172 O VAL A 12 -0.608 -15.339 0.960 1.00 21.03 O ATOM 173 CB VAL A 12 1.988 -14.917 0.170 1.00 12.31 C ATOM 174 CG1 VAL A 12 3.185 -15.252 -0.706 1.00 64.41 C ATOM 175 CG2 VAL A 12 2.380 -13.943 1.271 1.00 31.11 C ATOM 0 H VAL A 12 0.568 -12.271 -0.502 1.00 72.05 H new ATOM 0 HA VAL A 12 0.764 -14.910 -1.606 1.00 61.41 H new ATOM 0 HB VAL A 12 1.641 -15.838 0.638 1.00 12.31 H new ATOM 0 HG11 VAL A 12 3.986 -15.657 -0.088 1.00 64.41 H new ATOM 0 HG12 VAL A 12 2.894 -15.991 -1.453 1.00 64.41 H new ATOM 0 HG13 VAL A 12 3.534 -14.349 -1.206 1.00 64.41 H new ATOM 0 HG21 VAL A 12 3.193 -14.367 1.860 1.00 31.11 H new ATOM 0 HG22 VAL A 12 2.706 -13.003 0.826 1.00 31.11 H new ATOM 0 HG23 VAL A 12 1.522 -13.760 1.917 1.00 31.11 H new ATOM 185 N GLU A 13 -1.416 -13.583 -0.196 1.00 30.51 N ATOM 186 CA GLU A 13 -2.710 -13.587 0.480 1.00 62.23 C ATOM 187 C GLU A 13 -3.739 -12.781 -0.310 1.00 71.05 C ATOM 188 O GLU A 13 -3.455 -12.291 -1.402 1.00 13.44 O ATOM 189 CB GLU A 13 -2.571 -13.006 1.891 1.00 35.34 C ATOM 190 CG GLU A 13 -2.352 -11.505 1.903 1.00 12.21 C ATOM 191 CD GLU A 13 -3.652 -10.730 1.882 1.00 22.13 C ATOM 192 OE1 GLU A 13 -4.649 -11.228 2.445 1.00 73.11 O ATOM 193 OE2 GLU A 13 -3.674 -9.625 1.300 1.00 73.20 O ATOM 0 H GLU A 13 -1.313 -12.855 -0.903 1.00 30.51 H new ATOM 0 HA GLU A 13 -3.054 -14.619 0.547 1.00 62.23 H new ATOM 0 HB2 GLU A 13 -3.469 -13.240 2.463 1.00 35.34 H new ATOM 0 HB3 GLU A 13 -1.736 -13.492 2.396 1.00 35.34 H new ATOM 0 HG2 GLU A 13 -1.784 -11.231 2.792 1.00 12.21 H new ATOM 0 HG3 GLU A 13 -1.750 -11.222 1.040 1.00 12.21 H new ATOM 200 N GLU A 14 -4.933 -12.639 0.259 1.00 64.30 N ATOM 201 CA GLU A 14 -6.002 -11.881 -0.380 1.00 13.44 C ATOM 202 C GLU A 14 -6.014 -10.441 0.125 1.00 41.45 C ATOM 203 O GLU A 14 -6.536 -10.153 1.202 1.00 52.02 O ATOM 204 CB GLU A 14 -7.355 -12.547 -0.112 1.00 52.51 C ATOM 205 CG GLU A 14 -7.782 -12.503 1.346 1.00 60.12 C ATOM 206 CD GLU A 14 -8.277 -13.843 1.851 1.00 4.11 C ATOM 207 OE1 GLU A 14 -7.490 -14.813 1.832 1.00 13.01 O ATOM 208 OE2 GLU A 14 -9.452 -13.923 2.268 1.00 61.43 O ATOM 0 H GLU A 14 -5.184 -13.040 1.163 1.00 64.30 H new ATOM 0 HA GLU A 14 -5.822 -11.868 -1.455 1.00 13.44 H new ATOM 0 HB2 GLU A 14 -8.117 -12.058 -0.719 1.00 52.51 H new ATOM 0 HB3 GLU A 14 -7.308 -13.587 -0.436 1.00 52.51 H new ATOM 0 HG2 GLU A 14 -6.940 -12.177 1.957 1.00 60.12 H new ATOM 0 HG3 GLU A 14 -8.570 -11.760 1.467 1.00 60.12 H new ATOM 215 N PHE A 15 -5.428 -9.536 -0.651 1.00 62.02 N ATOM 216 CA PHE A 15 -5.370 -8.132 -0.260 1.00 62.31 C ATOM 217 C PHE A 15 -6.535 -7.346 -0.851 1.00 64.22 C ATOM 218 O PHE A 15 -6.899 -7.529 -2.012 1.00 62.13 O ATOM 219 CB PHE A 15 -4.027 -7.515 -0.677 1.00 15.21 C ATOM 220 CG PHE A 15 -4.010 -6.934 -2.065 1.00 71.32 C ATOM 221 CD1 PHE A 15 -4.581 -5.697 -2.319 1.00 11.34 C ATOM 222 CD2 PHE A 15 -3.419 -7.622 -3.112 1.00 73.42 C ATOM 223 CE1 PHE A 15 -4.563 -5.157 -3.589 1.00 35.01 C ATOM 224 CE2 PHE A 15 -3.399 -7.088 -4.386 1.00 0.35 C ATOM 225 CZ PHE A 15 -3.972 -5.853 -4.624 1.00 31.13 C ATOM 0 H PHE A 15 -4.990 -9.747 -1.548 1.00 62.02 H new ATOM 0 HA PHE A 15 -5.453 -8.079 0.826 1.00 62.31 H new ATOM 0 HB2 PHE A 15 -3.765 -6.731 0.034 1.00 15.21 H new ATOM 0 HB3 PHE A 15 -3.253 -8.280 -0.608 1.00 15.21 H new ATOM 0 HD1 PHE A 15 -5.046 -5.149 -1.513 1.00 11.34 H new ATOM 0 HD2 PHE A 15 -2.969 -8.587 -2.930 1.00 73.42 H new ATOM 0 HE1 PHE A 15 -5.011 -4.191 -3.773 1.00 35.01 H new ATOM 0 HE2 PHE A 15 -2.936 -7.635 -5.194 1.00 0.35 H new ATOM 0 HZ PHE A 15 -3.957 -5.433 -5.619 1.00 31.13 H new ATOM 235 N VAL A 16 -7.113 -6.469 -0.038 1.00 2.41 N ATOM 236 CA VAL A 16 -8.237 -5.649 -0.471 1.00 31.43 C ATOM 237 C VAL A 16 -7.946 -4.168 -0.256 1.00 22.11 C ATOM 238 O VAL A 16 -7.638 -3.742 0.857 1.00 75.14 O ATOM 239 CB VAL A 16 -9.529 -6.016 0.283 1.00 42.12 C ATOM 240 CG1 VAL A 16 -10.137 -7.289 -0.284 1.00 43.11 C ATOM 241 CG2 VAL A 16 -9.256 -6.164 1.773 1.00 44.24 C ATOM 0 H VAL A 16 -6.821 -6.308 0.926 1.00 2.41 H new ATOM 0 HA VAL A 16 -8.378 -5.844 -1.534 1.00 31.43 H new ATOM 0 HB VAL A 16 -10.247 -5.207 0.148 1.00 42.12 H new ATOM 0 HG11 VAL A 16 -11.049 -7.531 0.262 1.00 43.11 H new ATOM 0 HG12 VAL A 16 -10.374 -7.141 -1.338 1.00 43.11 H new ATOM 0 HG13 VAL A 16 -9.425 -8.108 -0.183 1.00 43.11 H new ATOM 0 HG21 VAL A 16 -10.181 -6.423 2.288 1.00 44.24 H new ATOM 0 HG22 VAL A 16 -8.519 -6.951 1.931 1.00 44.24 H new ATOM 0 HG23 VAL A 16 -8.872 -5.223 2.168 1.00 44.24 H new ATOM 251 N VAL A 17 -8.046 -3.387 -1.326 1.00 45.11 N ATOM 252 CA VAL A 17 -7.794 -1.955 -1.246 1.00 30.33 C ATOM 253 C VAL A 17 -8.795 -1.276 -0.318 1.00 63.52 C ATOM 254 O VAL A 17 -9.885 -0.891 -0.741 1.00 3.11 O ATOM 255 CB VAL A 17 -7.865 -1.289 -2.633 1.00 32.22 C ATOM 256 CG1 VAL A 17 -7.410 0.161 -2.554 1.00 52.00 C ATOM 257 CG2 VAL A 17 -7.030 -2.064 -3.640 1.00 3.11 C ATOM 0 H VAL A 17 -8.299 -3.721 -2.256 1.00 45.11 H new ATOM 0 HA VAL A 17 -6.787 -1.834 -0.847 1.00 30.33 H new ATOM 0 HB VAL A 17 -8.902 -1.301 -2.969 1.00 32.22 H new ATOM 0 HG11 VAL A 17 -7.467 0.615 -3.543 1.00 52.00 H new ATOM 0 HG12 VAL A 17 -8.055 0.708 -1.866 1.00 52.00 H new ATOM 0 HG13 VAL A 17 -6.381 0.201 -2.196 1.00 52.00 H new ATOM 0 HG21 VAL A 17 -7.092 -1.579 -4.614 1.00 3.11 H new ATOM 0 HG22 VAL A 17 -5.991 -2.086 -3.311 1.00 3.11 H new ATOM 0 HG23 VAL A 17 -7.407 -3.084 -3.718 1.00 3.11 H new ATOM 267 N ALA A 18 -8.416 -1.128 0.946 1.00 24.25 N ATOM 268 CA ALA A 18 -9.279 -0.491 1.931 1.00 24.50 C ATOM 269 C ALA A 18 -9.167 1.026 1.849 1.00 10.51 C ATOM 270 O ALA A 18 -10.102 1.749 2.192 1.00 72.45 O ATOM 271 CB ALA A 18 -8.931 -0.975 3.331 1.00 51.34 C ATOM 0 H ALA A 18 -7.517 -1.441 1.312 1.00 24.25 H new ATOM 0 HA ALA A 18 -10.310 -0.768 1.712 1.00 24.50 H new ATOM 0 HB1 ALA A 18 -9.584 -0.490 4.056 1.00 51.34 H new ATOM 0 HB2 ALA A 18 -9.066 -2.055 3.386 1.00 51.34 H new ATOM 0 HB3 ALA A 18 -7.893 -0.727 3.554 1.00 51.34 H new ATOM 277 N GLU A 19 -8.013 1.501 1.392 1.00 44.14 N ATOM 278 CA GLU A 19 -7.771 2.932 1.261 1.00 31.20 C ATOM 279 C GLU A 19 -7.077 3.243 -0.061 1.00 13.33 C ATOM 280 O GLU A 19 -5.922 2.870 -0.266 1.00 51.44 O ATOM 281 CB GLU A 19 -6.915 3.430 2.427 1.00 2.32 C ATOM 282 CG GLU A 19 -7.442 3.017 3.791 1.00 73.04 C ATOM 283 CD GLU A 19 -7.574 4.187 4.746 1.00 2.05 C ATOM 284 OE1 GLU A 19 -6.646 5.021 4.796 1.00 12.41 O ATOM 285 OE2 GLU A 19 -8.605 4.269 5.446 1.00 60.55 O ATOM 0 H GLU A 19 -7.230 0.914 1.106 1.00 44.14 H new ATOM 0 HA GLU A 19 -8.733 3.445 1.278 1.00 31.20 H new ATOM 0 HB2 GLU A 19 -5.900 3.050 2.309 1.00 2.32 H new ATOM 0 HB3 GLU A 19 -6.856 4.518 2.384 1.00 2.32 H new ATOM 0 HG2 GLU A 19 -8.415 2.540 3.671 1.00 73.04 H new ATOM 0 HG3 GLU A 19 -6.773 2.273 4.224 1.00 73.04 H new ATOM 292 N GLU A 20 -7.783 3.933 -0.953 1.00 40.43 N ATOM 293 CA GLU A 20 -7.223 4.297 -2.252 1.00 21.44 C ATOM 294 C GLU A 20 -5.844 4.922 -2.080 1.00 4.42 C ATOM 295 O GLU A 20 -5.561 5.547 -1.058 1.00 22.04 O ATOM 296 CB GLU A 20 -8.153 5.266 -2.981 1.00 70.02 C ATOM 297 CG GLU A 20 -9.504 4.666 -3.333 1.00 42.32 C ATOM 298 CD GLU A 20 -10.583 5.033 -2.333 1.00 42.34 C ATOM 299 OE1 GLU A 20 -10.251 5.223 -1.144 1.00 64.14 O ATOM 300 OE2 GLU A 20 -11.760 5.130 -2.739 1.00 12.54 O ATOM 0 H GLU A 20 -8.740 4.250 -0.801 1.00 40.43 H new ATOM 0 HA GLU A 20 -7.124 3.391 -2.850 1.00 21.44 H new ATOM 0 HB2 GLU A 20 -8.308 6.146 -2.357 1.00 70.02 H new ATOM 0 HB3 GLU A 20 -7.666 5.605 -3.896 1.00 70.02 H new ATOM 0 HG2 GLU A 20 -9.802 5.007 -4.325 1.00 42.32 H new ATOM 0 HG3 GLU A 20 -9.414 3.581 -3.383 1.00 42.32 H new ATOM 307 N CYS A 21 -4.980 4.738 -3.072 1.00 30.53 N ATOM 308 CA CYS A 21 -3.630 5.277 -2.997 1.00 64.42 C ATOM 309 C CYS A 21 -3.622 6.787 -3.202 1.00 40.01 C ATOM 310 O CYS A 21 -4.382 7.321 -4.010 1.00 62.45 O ATOM 311 CB CYS A 21 -2.710 4.593 -4.009 1.00 45.44 C ATOM 312 SG CYS A 21 -3.097 4.949 -5.751 1.00 71.30 S ATOM 0 H CYS A 21 -5.188 4.225 -3.929 1.00 30.53 H new ATOM 0 HA CYS A 21 -3.251 5.072 -1.996 1.00 64.42 H new ATOM 0 HB2 CYS A 21 -1.683 4.898 -3.810 1.00 45.44 H new ATOM 0 HB3 CYS A 21 -2.759 3.515 -3.853 1.00 45.44 H new ATOM 317 N SER A 22 -2.761 7.466 -2.452 1.00 65.32 N ATOM 318 CA SER A 22 -2.649 8.918 -2.532 1.00 10.12 C ATOM 319 C SER A 22 -1.187 9.358 -2.579 1.00 65.14 C ATOM 320 O SER A 22 -0.286 8.579 -2.271 1.00 32.50 O ATOM 321 CB SER A 22 -3.353 9.572 -1.342 1.00 25.22 C ATOM 322 OG SER A 22 -4.415 8.762 -0.870 1.00 65.11 O ATOM 0 H SER A 22 -2.128 7.032 -1.780 1.00 65.32 H new ATOM 0 HA SER A 22 -3.132 9.240 -3.455 1.00 10.12 H new ATOM 0 HB2 SER A 22 -2.636 9.741 -0.539 1.00 25.22 H new ATOM 0 HB3 SER A 22 -3.739 10.548 -1.635 1.00 25.22 H new ATOM 0 HG SER A 22 -4.848 9.201 -0.108 1.00 65.11 H new ATOM 328 N PRO A 23 -0.936 10.621 -2.966 1.00 12.03 N ATOM 329 CA PRO A 23 0.420 11.171 -3.057 1.00 21.13 C ATOM 330 C PRO A 23 1.271 10.854 -1.832 1.00 45.21 C ATOM 331 O PRO A 23 0.749 10.569 -0.754 1.00 51.53 O ATOM 332 CB PRO A 23 0.178 12.675 -3.168 1.00 35.35 C ATOM 333 CG PRO A 23 -1.152 12.791 -3.828 1.00 55.13 C ATOM 334 CD PRO A 23 -1.960 11.617 -3.342 1.00 54.30 C ATOM 0 HA PRO A 23 0.975 10.747 -3.894 1.00 21.13 H new ATOM 0 HB2 PRO A 23 0.177 13.150 -2.187 1.00 35.35 H new ATOM 0 HB3 PRO A 23 0.957 13.160 -3.757 1.00 35.35 H new ATOM 0 HG2 PRO A 23 -1.636 13.732 -3.568 1.00 55.13 H new ATOM 0 HG3 PRO A 23 -1.052 12.773 -4.913 1.00 55.13 H new ATOM 0 HD2 PRO A 23 -2.588 11.887 -2.493 1.00 54.30 H new ATOM 0 HD3 PRO A 23 -2.622 11.237 -4.120 1.00 54.30 H new ATOM 342 N CYS A 24 2.587 10.907 -2.010 1.00 64.21 N ATOM 343 CA CYS A 24 3.523 10.628 -0.928 1.00 41.12 C ATOM 344 C CYS A 24 4.212 11.906 -0.463 1.00 42.30 C ATOM 345 O CYS A 24 4.902 12.568 -1.238 1.00 75.22 O ATOM 346 CB CYS A 24 4.567 9.609 -1.388 1.00 22.43 C ATOM 347 SG CYS A 24 3.869 8.000 -1.880 1.00 62.54 S ATOM 0 H CYS A 24 3.030 11.142 -2.898 1.00 64.21 H new ATOM 0 HA CYS A 24 2.963 10.215 -0.089 1.00 41.12 H new ATOM 0 HB2 CYS A 24 5.120 10.026 -2.230 1.00 22.43 H new ATOM 0 HB3 CYS A 24 5.284 9.451 -0.583 1.00 22.43 H new ATOM 352 N SER A 25 4.021 12.247 0.808 1.00 62.44 N ATOM 353 CA SER A 25 4.625 13.448 1.377 1.00 2.22 C ATOM 354 C SER A 25 6.143 13.414 1.236 1.00 70.25 C ATOM 355 O SER A 25 6.698 12.520 0.598 1.00 14.45 O ATOM 356 CB SER A 25 4.240 13.587 2.850 1.00 74.44 C ATOM 357 OG SER A 25 4.030 14.945 3.196 1.00 60.02 O ATOM 0 H SER A 25 3.453 11.709 1.463 1.00 62.44 H new ATOM 0 HA SER A 25 4.248 14.310 0.827 1.00 2.22 H new ATOM 0 HB2 SER A 25 3.334 13.014 3.048 1.00 74.44 H new ATOM 0 HB3 SER A 25 5.027 13.166 3.476 1.00 74.44 H new ATOM 0 HG SER A 25 3.783 15.007 4.142 1.00 60.02 H new ATOM 363 N ASN A 26 6.809 14.395 1.837 1.00 2.45 N ATOM 364 CA ASN A 26 8.265 14.478 1.779 1.00 61.34 C ATOM 365 C ASN A 26 8.906 13.247 2.411 1.00 52.52 C ATOM 366 O ASN A 26 9.959 12.788 1.970 1.00 3.14 O ATOM 367 CB ASN A 26 8.753 15.742 2.488 1.00 2.43 C ATOM 368 CG ASN A 26 8.014 16.984 2.029 1.00 24.53 C ATOM 369 OD1 ASN A 26 7.401 17.689 2.830 1.00 4.30 O ATOM 370 ND2 ASN A 26 8.069 17.260 0.731 1.00 71.53 N ATOM 0 H ASN A 26 6.365 15.143 2.369 1.00 2.45 H new ATOM 0 HA ASN A 26 8.560 14.521 0.731 1.00 61.34 H new ATOM 0 HB2 ASN A 26 8.626 15.624 3.564 1.00 2.43 H new ATOM 0 HB3 ASN A 26 9.820 15.869 2.305 1.00 2.43 H new ATOM 0 HD21 ASN A 26 7.592 18.083 0.364 1.00 71.53 H new ATOM 0 HD22 ASN A 26 8.589 16.649 0.101 1.00 71.53 H new ATOM 377 N PHE A 27 8.264 12.717 3.447 1.00 41.14 N ATOM 378 CA PHE A 27 8.773 11.539 4.141 1.00 41.32 C ATOM 379 C PHE A 27 8.241 10.260 3.502 1.00 71.23 C ATOM 380 O PHE A 27 8.913 9.229 3.501 1.00 42.14 O ATOM 381 CB PHE A 27 8.384 11.585 5.619 1.00 24.41 C ATOM 382 CG PHE A 27 9.411 12.251 6.489 1.00 14.35 C ATOM 383 CD1 PHE A 27 10.643 11.656 6.709 1.00 4.42 C ATOM 384 CD2 PHE A 27 9.145 13.473 7.087 1.00 64.20 C ATOM 385 CE1 PHE A 27 11.590 12.265 7.509 1.00 72.30 C ATOM 386 CE2 PHE A 27 10.089 14.087 7.889 1.00 5.30 C ATOM 387 CZ PHE A 27 11.314 13.483 8.099 1.00 64.12 C ATOM 0 H PHE A 27 7.391 13.084 3.825 1.00 41.14 H new ATOM 0 HA PHE A 27 9.860 11.540 4.059 1.00 41.32 H new ATOM 0 HB2 PHE A 27 7.436 12.113 5.721 1.00 24.41 H new ATOM 0 HB3 PHE A 27 8.222 10.568 5.976 1.00 24.41 H new ATOM 0 HD1 PHE A 27 10.865 10.704 6.249 1.00 4.42 H new ATOM 0 HD2 PHE A 27 8.190 13.951 6.925 1.00 64.20 H new ATOM 0 HE1 PHE A 27 12.546 11.789 7.673 1.00 72.30 H new ATOM 0 HE2 PHE A 27 9.869 15.038 8.351 1.00 5.30 H new ATOM 0 HZ PHE A 27 12.054 13.962 8.723 1.00 64.12 H new ATOM 397 N ARG A 28 7.029 10.334 2.960 1.00 22.22 N ATOM 398 CA ARG A 28 6.407 9.181 2.319 1.00 53.32 C ATOM 399 C ARG A 28 7.103 8.848 1.003 1.00 23.30 C ATOM 400 O ARG A 28 7.367 7.683 0.708 1.00 30.43 O ATOM 401 CB ARG A 28 4.922 9.451 2.070 1.00 15.32 C ATOM 402 CG ARG A 28 4.113 8.190 1.810 1.00 53.34 C ATOM 403 CD ARG A 28 2.638 8.405 2.104 1.00 33.12 C ATOM 404 NE ARG A 28 2.410 8.819 3.488 1.00 10.41 N ATOM 405 CZ ARG A 28 2.416 7.983 4.522 1.00 5.44 C ATOM 406 NH1 ARG A 28 2.637 6.687 4.337 1.00 3.24 N ATOM 407 NH2 ARG A 28 2.201 8.443 5.748 1.00 51.31 N ATOM 0 H ARG A 28 6.459 11.180 2.952 1.00 22.22 H new ATOM 0 HA ARG A 28 6.507 8.326 2.988 1.00 53.32 H new ATOM 0 HB2 ARG A 28 4.505 9.969 2.933 1.00 15.32 H new ATOM 0 HB3 ARG A 28 4.821 10.121 1.216 1.00 15.32 H new ATOM 0 HG2 ARG A 28 4.237 7.884 0.771 1.00 53.34 H new ATOM 0 HG3 ARG A 28 4.494 7.378 2.429 1.00 53.34 H new ATOM 0 HD2 ARG A 28 2.240 9.163 1.429 1.00 33.12 H new ATOM 0 HD3 ARG A 28 2.091 7.483 1.906 1.00 33.12 H new ATOM 0 HE ARG A 28 2.236 9.807 3.671 1.00 10.41 H new ATOM 0 HH11 ARG A 28 2.804 6.327 3.397 1.00 3.24 H new ATOM 0 HH12 ARG A 28 2.640 6.051 5.135 1.00 3.24 H new ATOM 0 HH21 ARG A 28 2.031 9.438 5.897 1.00 51.31 H new ATOM 0 HH22 ARG A 28 2.206 7.802 6.541 1.00 51.31 H new ATOM 421 N ALA A 29 7.394 9.877 0.216 1.00 64.15 N ATOM 422 CA ALA A 29 8.057 9.692 -1.070 1.00 43.54 C ATOM 423 C ALA A 29 9.420 9.029 -0.902 1.00 41.43 C ATOM 424 O ALA A 29 9.891 8.324 -1.793 1.00 0.32 O ATOM 425 CB ALA A 29 8.202 11.028 -1.783 1.00 22.10 C ATOM 0 H ALA A 29 7.182 10.848 0.445 1.00 64.15 H new ATOM 0 HA ALA A 29 7.438 9.031 -1.676 1.00 43.54 H new ATOM 0 HB1 ALA A 29 8.698 10.877 -2.742 1.00 22.10 H new ATOM 0 HB2 ALA A 29 7.215 11.461 -1.949 1.00 22.10 H new ATOM 0 HB3 ALA A 29 8.796 11.705 -1.170 1.00 22.10 H new ATOM 431 N LYS A 30 10.050 9.262 0.245 1.00 63.32 N ATOM 432 CA LYS A 30 11.361 8.688 0.525 1.00 21.21 C ATOM 433 C LYS A 30 11.230 7.349 1.245 1.00 71.31 C ATOM 434 O LYS A 30 11.749 6.333 0.784 1.00 20.25 O ATOM 435 CB LYS A 30 12.194 9.655 1.370 1.00 54.31 C ATOM 436 CG LYS A 30 13.675 9.639 1.031 1.00 43.22 C ATOM 437 CD LYS A 30 14.451 10.637 1.875 1.00 73.04 C ATOM 438 CE LYS A 30 14.264 12.058 1.366 1.00 54.22 C ATOM 439 NZ LYS A 30 15.394 12.489 0.498 1.00 13.54 N ATOM 0 H LYS A 30 9.675 9.843 0.994 1.00 63.32 H new ATOM 0 HA LYS A 30 11.865 8.519 -0.427 1.00 21.21 H new ATOM 0 HB2 LYS A 30 11.810 10.666 1.235 1.00 54.31 H new ATOM 0 HB3 LYS A 30 12.068 9.405 2.423 1.00 54.31 H new ATOM 0 HG2 LYS A 30 14.075 8.638 1.190 1.00 43.22 H new ATOM 0 HG3 LYS A 30 13.810 9.872 -0.025 1.00 43.22 H new ATOM 0 HD2 LYS A 30 14.120 10.574 2.912 1.00 73.04 H new ATOM 0 HD3 LYS A 30 15.510 10.381 1.862 1.00 73.04 H new ATOM 0 HE2 LYS A 30 13.331 12.124 0.807 1.00 54.22 H new ATOM 0 HE3 LYS A 30 14.176 12.739 2.213 1.00 54.22 H new ATOM 0 HZ1 LYS A 30 15.229 13.463 0.171 1.00 13.54 H new ATOM 0 HZ2 LYS A 30 16.281 12.451 1.039 1.00 13.54 H new ATOM 0 HZ3 LYS A 30 15.462 11.855 -0.324 1.00 13.54 H new ATOM 453 N THR A 31 10.538 7.357 2.379 1.00 61.53 N ATOM 454 CA THR A 31 10.342 6.144 3.164 1.00 13.24 C ATOM 455 C THR A 31 9.624 5.072 2.350 1.00 42.45 C ATOM 456 O THR A 31 10.142 3.972 2.162 1.00 34.10 O ATOM 457 CB THR A 31 9.544 6.456 4.432 1.00 11.02 C ATOM 458 OG1 THR A 31 8.242 6.908 4.106 1.00 32.44 O ATOM 459 CG2 THR A 31 10.192 7.513 5.302 1.00 22.32 C ATOM 0 H THR A 31 10.103 8.190 2.775 1.00 61.53 H new ATOM 0 HA THR A 31 11.324 5.763 3.443 1.00 13.24 H new ATOM 0 HB THR A 31 9.510 5.520 4.990 1.00 11.02 H new ATOM 0 HG1 THR A 31 8.191 7.878 4.233 1.00 32.44 H new ATOM 0 HG21 THR A 31 9.575 7.687 6.184 1.00 22.32 H new ATOM 0 HG22 THR A 31 11.181 7.174 5.611 1.00 22.32 H new ATOM 0 HG23 THR A 31 10.287 8.441 4.738 1.00 22.32 H new ATOM 467 N THR A 32 8.428 5.399 1.872 1.00 45.15 N ATOM 468 CA THR A 32 7.638 4.462 1.081 1.00 43.11 C ATOM 469 C THR A 32 8.166 4.373 -0.351 1.00 2.54 C ATOM 470 O THR A 32 8.063 5.330 -1.117 1.00 63.31 O ATOM 471 CB THR A 32 6.169 4.890 1.067 1.00 61.10 C ATOM 472 OG1 THR A 32 5.667 5.001 2.386 1.00 32.05 O ATOM 473 CG2 THR A 32 5.274 3.930 0.314 1.00 2.45 C ATOM 0 H THR A 32 7.984 6.306 2.018 1.00 45.15 H new ATOM 0 HA THR A 32 7.721 3.477 1.541 1.00 43.11 H new ATOM 0 HB THR A 32 6.153 5.853 0.556 1.00 61.10 H new ATOM 0 HG1 THR A 32 4.695 5.120 2.357 1.00 32.05 H new ATOM 0 HG21 THR A 32 4.246 4.292 0.343 1.00 2.45 H new ATOM 0 HG22 THR A 32 5.605 3.860 -0.722 1.00 2.45 H new ATOM 0 HG23 THR A 32 5.325 2.945 0.778 1.00 2.45 H new ATOM 481 N PRO A 33 8.739 3.216 -0.737 1.00 11.43 N ATOM 482 CA PRO A 33 9.277 3.016 -2.086 1.00 45.13 C ATOM 483 C PRO A 33 8.184 2.856 -3.140 1.00 31.43 C ATOM 484 O PRO A 33 8.472 2.760 -4.333 1.00 12.40 O ATOM 485 CB PRO A 33 10.082 1.724 -1.958 1.00 10.30 C ATOM 486 CG PRO A 33 9.423 0.978 -0.851 1.00 12.03 C ATOM 487 CD PRO A 33 8.906 2.017 0.107 1.00 41.42 C ATOM 0 HA PRO A 33 9.863 3.874 -2.416 1.00 45.13 H new ATOM 0 HB2 PRO A 33 10.065 1.153 -2.886 1.00 10.30 H new ATOM 0 HB3 PRO A 33 11.128 1.930 -1.730 1.00 10.30 H new ATOM 0 HG2 PRO A 33 8.610 0.359 -1.229 1.00 12.03 H new ATOM 0 HG3 PRO A 33 10.129 0.310 -0.357 1.00 12.03 H new ATOM 0 HD2 PRO A 33 7.963 1.711 0.559 1.00 41.42 H new ATOM 0 HD3 PRO A 33 9.608 2.195 0.922 1.00 41.42 H new ATOM 495 N GLU A 34 6.929 2.833 -2.698 1.00 11.32 N ATOM 496 CA GLU A 34 5.802 2.687 -3.611 1.00 53.25 C ATOM 497 C GLU A 34 5.310 4.052 -4.089 1.00 10.23 C ATOM 498 O GLU A 34 4.106 4.285 -4.208 1.00 54.24 O ATOM 499 CB GLU A 34 4.664 1.921 -2.926 1.00 63.21 C ATOM 500 CG GLU A 34 4.513 0.492 -3.420 1.00 20.42 C ATOM 501 CD GLU A 34 5.194 -0.513 -2.512 1.00 61.21 C ATOM 502 OE1 GLU A 34 5.330 -0.226 -1.304 1.00 71.10 O ATOM 503 OE2 GLU A 34 5.590 -1.588 -3.009 1.00 20.23 O ATOM 0 H GLU A 34 6.669 2.914 -1.715 1.00 11.32 H new ATOM 0 HA GLU A 34 6.135 2.121 -4.481 1.00 53.25 H new ATOM 0 HB2 GLU A 34 4.841 1.909 -1.850 1.00 63.21 H new ATOM 0 HB3 GLU A 34 3.728 2.454 -3.089 1.00 63.21 H new ATOM 0 HG2 GLU A 34 3.453 0.248 -3.496 1.00 20.42 H new ATOM 0 HG3 GLU A 34 4.932 0.412 -4.423 1.00 20.42 H new ATOM 510 N CYS A 35 6.251 4.951 -4.364 1.00 34.03 N ATOM 511 CA CYS A 35 5.920 6.292 -4.830 1.00 51.31 C ATOM 512 C CYS A 35 6.735 6.659 -6.071 1.00 2.43 C ATOM 513 O CYS A 35 6.709 7.804 -6.523 1.00 20.32 O ATOM 514 CB CYS A 35 6.176 7.309 -3.719 1.00 24.41 C ATOM 515 SG CYS A 35 5.504 6.820 -2.099 1.00 51.41 S ATOM 0 H CYS A 35 7.251 4.773 -4.271 1.00 34.03 H new ATOM 0 HA CYS A 35 4.864 6.308 -5.098 1.00 51.31 H new ATOM 0 HB2 CYS A 35 7.251 7.464 -3.623 1.00 24.41 H new ATOM 0 HB3 CYS A 35 5.740 8.265 -4.008 1.00 24.41 H new ATOM 520 N GLY A 36 7.460 5.686 -6.617 1.00 63.22 N ATOM 521 CA GLY A 36 8.270 5.935 -7.794 1.00 52.33 C ATOM 522 C GLY A 36 7.448 6.033 -9.067 1.00 55.01 C ATOM 523 O GLY A 36 7.597 6.987 -9.831 1.00 64.32 O ATOM 0 H GLY A 36 7.500 4.730 -6.264 1.00 63.22 H new ATOM 0 HA2 GLY A 36 8.828 6.861 -7.656 1.00 52.33 H new ATOM 0 HA3 GLY A 36 9.002 5.135 -7.901 1.00 52.33 H new ATOM 527 N PRO A 37 6.572 5.048 -9.332 1.00 73.14 N ATOM 528 CA PRO A 37 5.740 5.041 -10.536 1.00 23.15 C ATOM 529 C PRO A 37 4.561 6.014 -10.452 1.00 63.30 C ATOM 530 O PRO A 37 4.673 7.166 -10.871 1.00 0.41 O ATOM 531 CB PRO A 37 5.261 3.591 -10.623 1.00 62.32 C ATOM 532 CG PRO A 37 5.283 3.083 -9.220 1.00 11.42 C ATOM 533 CD PRO A 37 6.338 3.866 -8.484 1.00 1.33 C ATOM 0 HA PRO A 37 6.292 5.371 -11.416 1.00 23.15 H new ATOM 0 HB2 PRO A 37 4.258 3.533 -11.046 1.00 62.32 H new ATOM 0 HB3 PRO A 37 5.913 2.999 -11.266 1.00 62.32 H new ATOM 0 HG2 PRO A 37 4.309 3.211 -8.748 1.00 11.42 H new ATOM 0 HG3 PRO A 37 5.510 2.017 -9.199 1.00 11.42 H new ATOM 0 HD2 PRO A 37 5.999 4.152 -7.488 1.00 1.33 H new ATOM 0 HD3 PRO A 37 7.249 3.282 -8.355 1.00 1.33 H new ATOM 541 N THR A 38 3.431 5.554 -9.916 1.00 72.51 N ATOM 542 CA THR A 38 2.245 6.395 -9.793 1.00 5.33 C ATOM 543 C THR A 38 2.469 7.520 -8.790 1.00 31.43 C ATOM 544 O THR A 38 1.872 8.590 -8.902 1.00 73.30 O ATOM 545 CB THR A 38 1.041 5.559 -9.352 1.00 71.42 C ATOM 546 OG1 THR A 38 -0.073 6.391 -9.081 1.00 73.30 O ATOM 547 CG2 THR A 38 1.306 4.734 -8.113 1.00 44.04 C ATOM 0 H THR A 38 3.314 4.605 -9.561 1.00 72.51 H new ATOM 0 HA THR A 38 2.048 6.831 -10.772 1.00 5.33 H new ATOM 0 HB THR A 38 0.839 4.883 -10.183 1.00 71.42 H new ATOM 0 HG1 THR A 38 -0.776 5.865 -8.647 1.00 73.30 H new ATOM 0 HG21 THR A 38 0.412 4.166 -7.856 1.00 44.04 H new ATOM 0 HG22 THR A 38 2.130 4.046 -8.303 1.00 44.04 H new ATOM 0 HG23 THR A 38 1.567 5.394 -7.286 1.00 44.04 H new ATOM 555 N GLY A 39 3.311 7.262 -7.796 1.00 33.13 N ATOM 556 CA GLY A 39 3.567 8.257 -6.773 1.00 62.14 C ATOM 557 C GLY A 39 2.479 8.266 -5.715 1.00 14.14 C ATOM 558 O GLY A 39 2.538 9.031 -4.752 1.00 32.31 O ATOM 0 H GLY A 39 3.819 6.385 -7.681 1.00 33.13 H new ATOM 0 HA2 GLY A 39 4.530 8.057 -6.303 1.00 62.14 H new ATOM 0 HA3 GLY A 39 3.636 9.243 -7.233 1.00 62.14 H new ATOM 562 N TYR A 40 1.481 7.403 -5.901 1.00 12.43 N ATOM 563 CA TYR A 40 0.365 7.289 -4.975 1.00 72.12 C ATOM 564 C TYR A 40 0.436 5.954 -4.237 1.00 52.23 C ATOM 565 O TYR A 40 0.674 4.915 -4.853 1.00 63.24 O ATOM 566 CB TYR A 40 -0.958 7.391 -5.738 1.00 3.43 C ATOM 567 CG TYR A 40 -1.281 8.782 -6.242 1.00 2.20 C ATOM 568 CD1 TYR A 40 -0.343 9.528 -6.945 1.00 71.14 C ATOM 569 CD2 TYR A 40 -2.530 9.346 -6.019 1.00 11.45 C ATOM 570 CE1 TYR A 40 -0.641 10.795 -7.409 1.00 4.45 C ATOM 571 CE2 TYR A 40 -2.837 10.612 -6.480 1.00 41.14 C ATOM 572 CZ TYR A 40 -1.888 11.333 -7.174 1.00 61.44 C ATOM 573 OH TYR A 40 -2.189 12.594 -7.635 1.00 3.50 O ATOM 0 H TYR A 40 1.427 6.767 -6.697 1.00 12.43 H new ATOM 0 HA TYR A 40 0.421 8.101 -4.250 1.00 72.12 H new ATOM 0 HB2 TYR A 40 -0.928 6.708 -6.587 1.00 3.43 H new ATOM 0 HB3 TYR A 40 -1.766 7.056 -5.087 1.00 3.43 H new ATOM 0 HD1 TYR A 40 0.635 9.111 -7.132 1.00 71.14 H new ATOM 0 HD2 TYR A 40 -3.275 8.785 -5.475 1.00 11.45 H new ATOM 0 HE1 TYR A 40 0.100 11.361 -7.954 1.00 4.45 H new ATOM 0 HE2 TYR A 40 -3.814 11.034 -6.298 1.00 41.14 H new ATOM 0 HH TYR A 40 -3.109 12.822 -7.386 1.00 3.50 H new ATOM 583 N VAL A 41 0.237 5.979 -2.923 1.00 42.43 N ATOM 584 CA VAL A 41 0.292 4.753 -2.132 1.00 62.13 C ATOM 585 C VAL A 41 -1.030 4.470 -1.420 1.00 74.32 C ATOM 586 O VAL A 41 -1.563 5.321 -0.708 1.00 3.13 O ATOM 587 CB VAL A 41 1.425 4.803 -1.091 1.00 24.30 C ATOM 588 CG1 VAL A 41 2.766 5.022 -1.773 1.00 2.21 C ATOM 589 CG2 VAL A 41 1.161 5.888 -0.055 1.00 64.44 C ATOM 0 H VAL A 41 0.038 6.824 -2.388 1.00 42.43 H new ATOM 0 HA VAL A 41 0.488 3.946 -2.838 1.00 62.13 H new ATOM 0 HB VAL A 41 1.457 3.844 -0.574 1.00 24.30 H new ATOM 0 HG11 VAL A 41 3.555 5.055 -1.022 1.00 2.21 H new ATOM 0 HG12 VAL A 41 2.959 4.204 -2.467 1.00 2.21 H new ATOM 0 HG13 VAL A 41 2.746 5.965 -2.320 1.00 2.21 H new ATOM 0 HG21 VAL A 41 1.975 5.904 0.670 1.00 64.44 H new ATOM 0 HG22 VAL A 41 1.097 6.857 -0.551 1.00 64.44 H new ATOM 0 HG23 VAL A 41 0.222 5.680 0.458 1.00 64.44 H new ATOM 599 N GLU A 42 -1.547 3.260 -1.626 1.00 61.52 N ATOM 600 CA GLU A 42 -2.808 2.831 -1.020 1.00 3.23 C ATOM 601 C GLU A 42 -2.567 1.968 0.214 1.00 23.24 C ATOM 602 O GLU A 42 -1.441 1.549 0.486 1.00 50.54 O ATOM 603 CB GLU A 42 -3.636 2.041 -2.038 1.00 62.53 C ATOM 604 CG GLU A 42 -2.817 1.050 -2.843 1.00 13.02 C ATOM 605 CD GLU A 42 -3.512 -0.287 -3.011 1.00 72.20 C ATOM 606 OE1 GLU A 42 -4.759 -0.303 -3.075 1.00 31.14 O ATOM 607 OE2 GLU A 42 -2.809 -1.317 -3.077 1.00 2.41 O ATOM 0 H GLU A 42 -1.107 2.552 -2.214 1.00 61.52 H new ATOM 0 HA GLU A 42 -3.351 3.725 -0.714 1.00 3.23 H new ATOM 0 HB2 GLU A 42 -4.428 1.506 -1.514 1.00 62.53 H new ATOM 0 HB3 GLU A 42 -4.121 2.739 -2.720 1.00 62.53 H new ATOM 0 HG2 GLU A 42 -2.608 1.472 -3.826 1.00 13.02 H new ATOM 0 HG3 GLU A 42 -1.856 0.896 -2.352 1.00 13.02 H new ATOM 614 N LYS A 43 -3.644 1.695 0.949 1.00 11.22 N ATOM 615 CA LYS A 43 -3.568 0.872 2.150 1.00 62.41 C ATOM 616 C LYS A 43 -4.384 -0.406 1.975 1.00 53.12 C ATOM 617 O LYS A 43 -5.592 -0.423 2.215 1.00 1.11 O ATOM 618 CB LYS A 43 -4.072 1.652 3.367 1.00 42.13 C ATOM 619 CG LYS A 43 -3.242 1.427 4.619 1.00 13.50 C ATOM 620 CD LYS A 43 -3.390 2.581 5.599 1.00 11.04 C ATOM 621 CE LYS A 43 -3.361 2.096 7.038 1.00 11.11 C ATOM 622 NZ LYS A 43 -2.711 3.082 7.945 1.00 54.40 N ATOM 0 H LYS A 43 -4.581 2.034 0.731 1.00 11.22 H new ATOM 0 HA LYS A 43 -2.525 0.602 2.313 1.00 62.41 H new ATOM 0 HB2 LYS A 43 -4.076 2.716 3.130 1.00 42.13 H new ATOM 0 HB3 LYS A 43 -5.104 1.366 3.569 1.00 42.13 H new ATOM 0 HG2 LYS A 43 -3.550 0.498 5.099 1.00 13.50 H new ATOM 0 HG3 LYS A 43 -2.193 1.312 4.346 1.00 13.50 H new ATOM 0 HD2 LYS A 43 -2.586 3.300 5.440 1.00 11.04 H new ATOM 0 HD3 LYS A 43 -4.328 3.103 5.409 1.00 11.04 H new ATOM 0 HE2 LYS A 43 -4.379 1.907 7.378 1.00 11.11 H new ATOM 0 HE3 LYS A 43 -2.826 1.148 7.090 1.00 11.11 H new ATOM 0 HZ1 LYS A 43 -2.712 2.713 8.917 1.00 54.40 H new ATOM 0 HZ2 LYS A 43 -1.731 3.244 7.637 1.00 54.40 H new ATOM 0 HZ3 LYS A 43 -3.236 3.979 7.915 1.00 54.40 H new ATOM 636 N ILE A 44 -3.716 -1.473 1.550 1.00 32.43 N ATOM 637 CA ILE A 44 -4.376 -2.756 1.336 1.00 61.52 C ATOM 638 C ILE A 44 -4.210 -3.671 2.545 1.00 63.40 C ATOM 639 O ILE A 44 -3.100 -3.867 3.041 1.00 33.33 O ATOM 640 CB ILE A 44 -3.821 -3.466 0.086 1.00 31.32 C ATOM 641 CG1 ILE A 44 -2.291 -3.480 0.118 1.00 72.31 C ATOM 642 CG2 ILE A 44 -4.324 -2.784 -1.178 1.00 10.33 C ATOM 643 CD1 ILE A 44 -1.693 -4.819 -0.255 1.00 31.45 C ATOM 0 H ILE A 44 -2.716 -1.475 1.347 1.00 32.43 H new ATOM 0 HA ILE A 44 -5.436 -2.548 1.189 1.00 61.52 H new ATOM 0 HB ILE A 44 -4.175 -4.497 0.084 1.00 31.32 H new ATOM 0 HG12 ILE A 44 -1.914 -2.719 -0.566 1.00 72.31 H new ATOM 0 HG13 ILE A 44 -1.954 -3.206 1.118 1.00 72.31 H new ATOM 0 HG21 ILE A 44 -3.923 -3.297 -2.052 1.00 10.33 H new ATOM 0 HG22 ILE A 44 -5.413 -2.821 -1.203 1.00 10.33 H new ATOM 0 HG23 ILE A 44 -3.996 -1.744 -1.186 1.00 10.33 H new ATOM 0 HD11 ILE A 44 -0.606 -4.757 -0.211 1.00 31.45 H new ATOM 0 HD12 ILE A 44 -2.041 -5.580 0.443 1.00 31.45 H new ATOM 0 HD13 ILE A 44 -2.001 -5.086 -1.266 1.00 31.45 H new ATOM 655 N THR A 45 -5.322 -4.230 3.016 1.00 55.41 N ATOM 656 CA THR A 45 -5.302 -5.127 4.167 1.00 51.25 C ATOM 657 C THR A 45 -5.164 -6.578 3.720 1.00 40.22 C ATOM 658 O THR A 45 -5.685 -6.966 2.676 1.00 1.12 O ATOM 659 CB THR A 45 -6.577 -4.956 4.995 1.00 15.12 C ATOM 660 OG1 THR A 45 -6.823 -3.586 5.259 1.00 3.01 O ATOM 661 CG2 THR A 45 -6.530 -5.679 6.323 1.00 42.42 C ATOM 0 H THR A 45 -6.248 -4.077 2.618 1.00 55.41 H new ATOM 0 HA THR A 45 -4.440 -4.870 4.783 1.00 51.25 H new ATOM 0 HB THR A 45 -7.374 -5.391 4.392 1.00 15.12 H new ATOM 0 HG1 THR A 45 -7.643 -3.497 5.788 1.00 3.01 H new ATOM 0 HG21 THR A 45 -7.465 -5.516 6.859 1.00 42.42 H new ATOM 0 HG22 THR A 45 -6.391 -6.746 6.151 1.00 42.42 H new ATOM 0 HG23 THR A 45 -5.700 -5.296 6.917 1.00 42.42 H new ATOM 669 N CYS A 46 -4.456 -7.377 4.514 1.00 64.32 N ATOM 670 CA CYS A 46 -4.251 -8.785 4.191 1.00 13.53 C ATOM 671 C CYS A 46 -4.999 -9.692 5.155 1.00 55.44 C ATOM 672 O CYS A 46 -4.774 -9.646 6.363 1.00 70.35 O ATOM 673 CB CYS A 46 -2.760 -9.132 4.224 1.00 22.14 C ATOM 674 SG CYS A 46 -1.749 -8.193 3.030 1.00 51.55 S ATOM 0 H CYS A 46 -4.016 -7.074 5.383 1.00 64.32 H new ATOM 0 HA CYS A 46 -4.642 -8.947 3.187 1.00 13.53 H new ATOM 0 HB2 CYS A 46 -2.378 -8.951 5.229 1.00 22.14 H new ATOM 0 HB3 CYS A 46 -2.641 -10.197 4.025 1.00 22.14 H new ATOM 679 N SER A 47 -5.872 -10.537 4.615 1.00 45.25 N ATOM 680 CA SER A 47 -6.623 -11.470 5.442 1.00 42.35 C ATOM 681 C SER A 47 -5.662 -12.395 6.182 1.00 14.03 C ATOM 682 O SER A 47 -6.003 -12.964 7.218 1.00 21.44 O ATOM 683 CB SER A 47 -7.584 -12.289 4.583 1.00 63.32 C ATOM 684 OG SER A 47 -8.163 -13.345 5.330 1.00 14.35 O ATOM 0 H SER A 47 -6.074 -10.594 3.617 1.00 45.25 H new ATOM 0 HA SER A 47 -7.205 -10.905 6.170 1.00 42.35 H new ATOM 0 HB2 SER A 47 -8.370 -11.642 4.193 1.00 63.32 H new ATOM 0 HB3 SER A 47 -7.051 -12.697 3.724 1.00 63.32 H new ATOM 0 HG SER A 47 -8.888 -13.753 4.812 1.00 14.35 H new ATOM 690 N SER A 48 -4.453 -12.529 5.639 1.00 3.45 N ATOM 691 CA SER A 48 -3.432 -13.370 6.241 1.00 4.33 C ATOM 692 C SER A 48 -2.706 -12.614 7.346 1.00 11.24 C ATOM 693 O SER A 48 -1.836 -11.783 7.082 1.00 45.14 O ATOM 694 CB SER A 48 -2.433 -13.838 5.181 1.00 32.31 C ATOM 695 OG SER A 48 -2.949 -14.929 4.439 1.00 44.11 O ATOM 0 H SER A 48 -4.161 -12.062 4.780 1.00 3.45 H new ATOM 0 HA SER A 48 -3.917 -14.244 6.675 1.00 4.33 H new ATOM 0 HB2 SER A 48 -2.201 -13.014 4.507 1.00 32.31 H new ATOM 0 HB3 SER A 48 -1.499 -14.130 5.661 1.00 32.31 H new ATOM 0 HG SER A 48 -2.292 -15.208 3.767 1.00 44.11 H new ATOM 701 N SER A 49 -3.079 -12.913 8.582 1.00 21.11 N ATOM 702 CA SER A 49 -2.486 -12.278 9.759 1.00 51.02 C ATOM 703 C SER A 49 -2.970 -10.840 9.919 1.00 25.33 C ATOM 704 O SER A 49 -2.402 -10.073 10.698 1.00 51.41 O ATOM 705 CB SER A 49 -0.954 -12.307 9.681 1.00 14.34 C ATOM 706 OG SER A 49 -0.416 -13.251 10.591 1.00 42.14 O ATOM 0 H SER A 49 -3.800 -13.601 8.801 1.00 21.11 H new ATOM 0 HA SER A 49 -2.807 -12.847 10.632 1.00 51.02 H new ATOM 0 HB2 SER A 49 -0.643 -12.556 8.667 1.00 14.34 H new ATOM 0 HB3 SER A 49 -0.556 -11.316 9.902 1.00 14.34 H new ATOM 0 HG SER A 49 0.562 -13.252 10.521 1.00 42.14 H new ATOM 712 N LYS A 50 -4.020 -10.472 9.181 1.00 72.14 N ATOM 713 CA LYS A 50 -4.569 -9.119 9.249 1.00 20.52 C ATOM 714 C LYS A 50 -3.448 -8.085 9.230 1.00 2.24 C ATOM 715 O LYS A 50 -3.117 -7.493 10.257 1.00 33.43 O ATOM 716 CB LYS A 50 -5.418 -8.954 10.511 1.00 22.21 C ATOM 717 CG LYS A 50 -6.909 -9.098 10.262 1.00 61.25 C ATOM 718 CD LYS A 50 -7.474 -7.883 9.544 1.00 54.41 C ATOM 719 CE LYS A 50 -8.974 -7.757 9.756 1.00 54.43 C ATOM 720 NZ LYS A 50 -9.343 -7.864 11.194 1.00 32.11 N ATOM 0 H LYS A 50 -4.505 -11.091 8.532 1.00 72.14 H new ATOM 0 HA LYS A 50 -5.202 -8.960 8.376 1.00 20.52 H new ATOM 0 HB2 LYS A 50 -5.108 -9.695 11.247 1.00 22.21 H new ATOM 0 HB3 LYS A 50 -5.223 -7.973 10.944 1.00 22.21 H new ATOM 0 HG2 LYS A 50 -7.095 -9.992 9.667 1.00 61.25 H new ATOM 0 HG3 LYS A 50 -7.426 -9.234 11.212 1.00 61.25 H new ATOM 0 HD2 LYS A 50 -6.978 -6.982 9.905 1.00 54.41 H new ATOM 0 HD3 LYS A 50 -7.261 -7.958 8.478 1.00 54.41 H new ATOM 0 HE2 LYS A 50 -9.317 -6.800 9.364 1.00 54.43 H new ATOM 0 HE3 LYS A 50 -9.487 -8.535 9.191 1.00 54.43 H new ATOM 0 HZ1 LYS A 50 -10.237 -7.359 11.362 1.00 32.11 H new ATOM 0 HZ2 LYS A 50 -9.458 -8.866 11.449 1.00 32.11 H new ATOM 0 HZ3 LYS A 50 -8.592 -7.442 11.777 1.00 32.11 H new ATOM 734 N ARG A 51 -2.855 -7.888 8.058 1.00 1.11 N ATOM 735 CA ARG A 51 -1.758 -6.944 7.910 1.00 14.13 C ATOM 736 C ARG A 51 -2.015 -5.967 6.768 1.00 53.14 C ATOM 737 O ARG A 51 -2.286 -6.372 5.638 1.00 22.30 O ATOM 738 CB ARG A 51 -0.451 -7.704 7.669 1.00 42.52 C ATOM 739 CG ARG A 51 0.565 -7.542 8.787 1.00 52.54 C ATOM 740 CD ARG A 51 1.836 -8.323 8.498 1.00 73.22 C ATOM 741 NE ARG A 51 2.718 -8.386 9.662 1.00 64.03 N ATOM 742 CZ ARG A 51 2.446 -9.086 10.761 1.00 42.13 C ATOM 743 NH1 ARG A 51 1.320 -9.782 10.852 1.00 21.42 N ATOM 744 NH2 ARG A 51 3.302 -9.088 11.774 1.00 50.42 N ATOM 0 H ARG A 51 -3.117 -8.370 7.198 1.00 1.11 H new ATOM 0 HA ARG A 51 -1.679 -6.367 8.831 1.00 14.13 H new ATOM 0 HB2 ARG A 51 -0.675 -8.763 7.544 1.00 42.52 H new ATOM 0 HB3 ARG A 51 -0.008 -7.360 6.735 1.00 42.52 H new ATOM 0 HG2 ARG A 51 0.805 -6.486 8.912 1.00 52.54 H new ATOM 0 HG3 ARG A 51 0.132 -7.884 9.727 1.00 52.54 H new ATOM 0 HD2 ARG A 51 1.577 -9.334 8.185 1.00 73.22 H new ATOM 0 HD3 ARG A 51 2.366 -7.858 7.667 1.00 73.22 H new ATOM 0 HE ARG A 51 3.593 -7.863 9.630 1.00 64.03 H new ATOM 0 HH11 ARG A 51 0.657 -9.783 10.077 1.00 21.42 H new ATOM 0 HH12 ARG A 51 1.118 -10.316 11.697 1.00 21.42 H new ATOM 0 HH21 ARG A 51 4.168 -8.553 11.711 1.00 50.42 H new ATOM 0 HH22 ARG A 51 3.094 -9.624 12.616 1.00 50.42 H new ATOM 758 N ASN A 52 -1.918 -4.677 7.073 1.00 34.42 N ATOM 759 CA ASN A 52 -2.128 -3.636 6.076 1.00 23.12 C ATOM 760 C ASN A 52 -0.792 -3.157 5.519 1.00 31.12 C ATOM 761 O ASN A 52 0.024 -2.587 6.243 1.00 2.31 O ATOM 762 CB ASN A 52 -2.895 -2.459 6.682 1.00 20.24 C ATOM 763 CG ASN A 52 -2.256 -1.950 7.959 1.00 4.31 C ATOM 764 OD1 ASN A 52 -1.224 -2.457 8.396 1.00 5.34 O ATOM 765 ND2 ASN A 52 -2.870 -0.940 8.566 1.00 3.21 N ATOM 0 H ASN A 52 -1.695 -4.328 8.005 1.00 34.42 H new ATOM 0 HA ASN A 52 -2.719 -4.056 5.262 1.00 23.12 H new ATOM 0 HB2 ASN A 52 -2.945 -1.648 5.955 1.00 20.24 H new ATOM 0 HB3 ASN A 52 -3.921 -2.765 6.889 1.00 20.24 H new ATOM 0 HD21 ASN A 52 -2.487 -0.555 9.429 1.00 3.21 H new ATOM 0 HD22 ASN A 52 -3.724 -0.549 8.168 1.00 3.21 H new ATOM 772 N GLU A 53 -0.571 -3.400 4.232 1.00 41.33 N ATOM 773 CA GLU A 53 0.671 -2.998 3.586 1.00 4.05 C ATOM 774 C GLU A 53 0.490 -1.703 2.806 1.00 61.35 C ATOM 775 O GLU A 53 -0.632 -1.296 2.503 1.00 75.32 O ATOM 776 CB GLU A 53 1.162 -4.106 2.651 1.00 12.24 C ATOM 777 CG GLU A 53 2.286 -4.943 3.238 1.00 2.20 C ATOM 778 CD GLU A 53 3.463 -4.103 3.693 1.00 62.15 C ATOM 779 OE1 GLU A 53 3.904 -3.229 2.918 1.00 30.34 O ATOM 780 OE2 GLU A 53 3.943 -4.318 4.826 1.00 35.21 O ATOM 0 H GLU A 53 -1.234 -3.872 3.618 1.00 41.33 H new ATOM 0 HA GLU A 53 1.416 -2.827 4.364 1.00 4.05 H new ATOM 0 HB2 GLU A 53 0.325 -4.759 2.404 1.00 12.24 H new ATOM 0 HB3 GLU A 53 1.503 -3.658 1.718 1.00 12.24 H new ATOM 0 HG2 GLU A 53 1.904 -5.515 4.084 1.00 2.20 H new ATOM 0 HG3 GLU A 53 2.625 -5.663 2.493 1.00 2.20 H new ATOM 787 N PHE A 54 1.607 -1.062 2.483 1.00 62.12 N ATOM 788 CA PHE A 54 1.582 0.188 1.733 1.00 52.31 C ATOM 789 C PHE A 54 2.011 -0.042 0.290 1.00 20.21 C ATOM 790 O PHE A 54 3.202 -0.081 -0.018 1.00 71.11 O ATOM 791 CB PHE A 54 2.499 1.221 2.393 1.00 31.23 C ATOM 792 CG PHE A 54 1.807 2.067 3.423 1.00 44.21 C ATOM 793 CD1 PHE A 54 0.869 3.014 3.045 1.00 53.04 C ATOM 794 CD2 PHE A 54 2.095 1.914 4.771 1.00 60.55 C ATOM 795 CE1 PHE A 54 0.231 3.793 3.992 1.00 20.43 C ATOM 796 CE2 PHE A 54 1.461 2.690 5.721 1.00 31.14 C ATOM 797 CZ PHE A 54 0.527 3.632 5.331 1.00 5.43 C ATOM 0 H PHE A 54 2.542 -1.387 2.729 1.00 62.12 H new ATOM 0 HA PHE A 54 0.560 0.568 1.735 1.00 52.31 H new ATOM 0 HB2 PHE A 54 3.336 0.704 2.862 1.00 31.23 H new ATOM 0 HB3 PHE A 54 2.916 1.870 1.623 1.00 31.23 H new ATOM 0 HD1 PHE A 54 0.634 3.145 1.999 1.00 53.04 H new ATOM 0 HD2 PHE A 54 2.823 1.180 5.081 1.00 60.55 H new ATOM 0 HE1 PHE A 54 -0.499 4.527 3.685 1.00 20.43 H new ATOM 0 HE2 PHE A 54 1.694 2.561 6.768 1.00 31.14 H new ATOM 0 HZ PHE A 54 0.030 4.241 6.072 1.00 5.43 H new ATOM 807 N LYS A 55 1.030 -0.196 -0.592 1.00 44.01 N ATOM 808 CA LYS A 55 1.301 -0.423 -2.006 1.00 73.11 C ATOM 809 C LYS A 55 1.015 0.836 -2.816 1.00 63.12 C ATOM 810 O LYS A 55 0.574 1.842 -2.269 1.00 60.32 O ATOM 811 CB LYS A 55 0.457 -1.589 -2.526 1.00 13.23 C ATOM 812 CG LYS A 55 1.263 -2.625 -3.295 1.00 41.25 C ATOM 813 CD LYS A 55 0.504 -3.935 -3.438 1.00 62.10 C ATOM 814 CE LYS A 55 -0.825 -3.737 -4.149 1.00 31.24 C ATOM 815 NZ LYS A 55 -0.642 -3.232 -5.538 1.00 13.13 N ATOM 0 H LYS A 55 0.039 -0.168 -0.352 1.00 44.01 H new ATOM 0 HA LYS A 55 2.356 -0.674 -2.119 1.00 73.11 H new ATOM 0 HB2 LYS A 55 -0.035 -2.075 -1.684 1.00 13.23 H new ATOM 0 HB3 LYS A 55 -0.329 -1.199 -3.172 1.00 13.23 H new ATOM 0 HG2 LYS A 55 1.507 -2.236 -4.284 1.00 41.25 H new ATOM 0 HG3 LYS A 55 2.207 -2.806 -2.782 1.00 41.25 H new ATOM 0 HD2 LYS A 55 1.112 -4.649 -3.993 1.00 62.10 H new ATOM 0 HD3 LYS A 55 0.329 -4.364 -2.452 1.00 62.10 H new ATOM 0 HE2 LYS A 55 -1.367 -4.682 -4.175 1.00 31.24 H new ATOM 0 HE3 LYS A 55 -1.437 -3.034 -3.585 1.00 31.24 H new ATOM 0 HZ1 LYS A 55 -1.553 -3.255 -6.038 1.00 13.13 H new ATOM 0 HZ2 LYS A 55 -0.288 -2.255 -5.508 1.00 13.13 H new ATOM 0 HZ3 LYS A 55 0.043 -3.834 -6.039 1.00 13.13 H new ATOM 829 N SER A 56 1.270 0.776 -4.118 1.00 61.14 N ATOM 830 CA SER A 56 1.035 1.918 -4.995 1.00 14.20 C ATOM 831 C SER A 56 -0.012 1.579 -6.051 1.00 33.41 C ATOM 832 O SER A 56 0.017 0.497 -6.637 1.00 61.31 O ATOM 833 CB SER A 56 2.339 2.348 -5.672 1.00 42.24 C ATOM 834 OG SER A 56 2.609 1.551 -6.813 1.00 4.04 O ATOM 0 H SER A 56 1.639 -0.050 -4.590 1.00 61.14 H new ATOM 0 HA SER A 56 0.663 2.743 -4.387 1.00 14.20 H new ATOM 0 HB2 SER A 56 2.272 3.396 -5.964 1.00 42.24 H new ATOM 0 HB3 SER A 56 3.164 2.266 -4.964 1.00 42.24 H new ATOM 0 HG SER A 56 3.446 1.847 -7.228 1.00 4.04 H new ATOM 840 N CYS A 57 -0.935 2.507 -6.296 1.00 64.24 N ATOM 841 CA CYS A 57 -1.980 2.280 -7.291 1.00 63.31 C ATOM 842 C CYS A 57 -2.080 3.460 -8.254 1.00 53.51 C ATOM 843 O CYS A 57 -1.416 4.480 -8.071 1.00 2.13 O ATOM 844 CB CYS A 57 -3.333 2.009 -6.607 1.00 44.32 C ATOM 845 SG CYS A 57 -4.383 3.473 -6.279 1.00 74.43 S ATOM 0 H CYS A 57 -0.981 3.411 -5.826 1.00 64.24 H new ATOM 0 HA CYS A 57 -1.712 1.397 -7.871 1.00 63.31 H new ATOM 0 HB2 CYS A 57 -3.898 1.315 -7.229 1.00 44.32 H new ATOM 0 HB3 CYS A 57 -3.143 1.505 -5.659 1.00 44.32 H new ATOM 850 N ARG A 58 -2.911 3.315 -9.279 1.00 31.41 N ATOM 851 CA ARG A 58 -3.093 4.373 -10.263 1.00 62.35 C ATOM 852 C ARG A 58 -4.232 5.300 -9.852 1.00 33.04 C ATOM 853 O ARG A 58 -5.363 4.858 -9.652 1.00 54.43 O ATOM 854 CB ARG A 58 -3.375 3.775 -11.642 1.00 21.10 C ATOM 855 CG ARG A 58 -3.011 4.699 -12.792 1.00 44.23 C ATOM 856 CD ARG A 58 -4.003 4.583 -13.940 1.00 3.11 C ATOM 857 NE ARG A 58 -3.416 3.928 -15.106 1.00 31.04 N ATOM 858 CZ ARG A 58 -3.276 2.609 -15.225 1.00 14.44 C ATOM 859 NH1 ARG A 58 -3.679 1.802 -14.252 1.00 70.32 N ATOM 860 NH2 ARG A 58 -2.731 2.097 -16.319 1.00 52.21 N ATOM 0 H ARG A 58 -3.468 2.477 -9.450 1.00 31.41 H new ATOM 0 HA ARG A 58 -2.173 4.955 -10.313 1.00 62.35 H new ATOM 0 HB2 ARG A 58 -2.819 2.843 -11.745 1.00 21.10 H new ATOM 0 HB3 ARG A 58 -4.433 3.523 -11.710 1.00 21.10 H new ATOM 0 HG2 ARG A 58 -2.984 5.729 -12.437 1.00 44.23 H new ATOM 0 HG3 ARG A 58 -2.010 4.458 -13.150 1.00 44.23 H new ATOM 0 HD2 ARG A 58 -4.876 4.020 -13.609 1.00 3.11 H new ATOM 0 HD3 ARG A 58 -4.352 5.577 -14.220 1.00 3.11 H new ATOM 0 HE ARG A 58 -3.094 4.516 -15.875 1.00 31.04 H new ATOM 0 HH11 ARG A 58 -4.098 2.191 -13.408 1.00 70.32 H new ATOM 0 HH12 ARG A 58 -3.569 0.793 -14.348 1.00 70.32 H new ATOM 0 HH21 ARG A 58 -2.419 2.713 -17.070 1.00 52.21 H new ATOM 0 HH22 ARG A 58 -2.624 1.087 -16.410 1.00 52.21 H new ATOM 874 N SER A 59 -3.924 6.586 -9.723 1.00 52.53 N ATOM 875 CA SER A 59 -4.923 7.573 -9.331 1.00 74.44 C ATOM 876 C SER A 59 -5.660 8.124 -10.549 1.00 41.43 C ATOM 877 O SER A 59 -6.783 8.616 -10.436 1.00 4.30 O ATOM 878 CB SER A 59 -4.261 8.717 -8.558 1.00 45.24 C ATOM 879 OG SER A 59 -4.907 8.932 -7.317 1.00 1.43 O ATOM 0 H SER A 59 -2.992 6.969 -9.884 1.00 52.53 H new ATOM 0 HA SER A 59 -5.650 7.079 -8.687 1.00 74.44 H new ATOM 0 HB2 SER A 59 -3.209 8.486 -8.389 1.00 45.24 H new ATOM 0 HB3 SER A 59 -4.295 9.630 -9.153 1.00 45.24 H new ATOM 0 HG SER A 59 -4.310 9.429 -6.719 1.00 1.43 H new ATOM 885 N ALA A 60 -5.023 8.038 -11.714 1.00 3.34 N ATOM 886 CA ALA A 60 -5.620 8.530 -12.951 1.00 12.12 C ATOM 887 C ALA A 60 -6.979 7.883 -13.213 1.00 72.42 C ATOM 888 O ALA A 60 -7.805 8.431 -13.943 1.00 55.10 O ATOM 889 CB ALA A 60 -4.682 8.279 -14.122 1.00 42.41 C ATOM 0 H ALA A 60 -4.094 7.632 -11.827 1.00 3.34 H new ATOM 0 HA ALA A 60 -5.778 9.603 -12.843 1.00 12.12 H new ATOM 0 HB1 ALA A 60 -5.138 8.650 -15.040 1.00 42.41 H new ATOM 0 HB2 ALA A 60 -3.739 8.797 -13.950 1.00 42.41 H new ATOM 0 HB3 ALA A 60 -4.496 7.209 -14.216 1.00 42.41 H new ATOM 895 N LEU A 61 -7.206 6.717 -12.615 1.00 70.34 N ATOM 896 CA LEU A 61 -8.466 6.003 -12.790 1.00 65.13 C ATOM 897 C LEU A 61 -9.256 5.970 -11.487 1.00 65.11 C ATOM 898 O LEU A 61 -10.487 5.929 -11.498 1.00 12.32 O ATOM 899 CB LEU A 61 -8.205 4.578 -13.279 1.00 64.21 C ATOM 900 CG LEU A 61 -8.124 4.419 -14.798 1.00 62.21 C ATOM 901 CD1 LEU A 61 -6.701 4.643 -15.283 1.00 64.14 C ATOM 902 CD2 LEU A 61 -8.621 3.043 -15.216 1.00 1.32 C ATOM 0 H LEU A 61 -6.535 6.248 -12.006 1.00 70.34 H new ATOM 0 HA LEU A 61 -9.055 6.533 -13.538 1.00 65.13 H new ATOM 0 HB2 LEU A 61 -7.271 4.226 -12.842 1.00 64.21 H new ATOM 0 HB3 LEU A 61 -8.997 3.930 -12.903 1.00 64.21 H new ATOM 0 HG LEU A 61 -8.765 5.171 -15.258 1.00 62.21 H new ATOM 0 HD11 LEU A 61 -6.663 4.526 -16.366 1.00 64.14 H new ATOM 0 HD12 LEU A 61 -6.380 5.650 -15.016 1.00 64.14 H new ATOM 0 HD13 LEU A 61 -6.038 3.914 -14.816 1.00 64.14 H new ATOM 0 HD21 LEU A 61 -8.557 2.947 -16.300 1.00 1.32 H new ATOM 0 HD22 LEU A 61 -8.006 2.276 -14.746 1.00 1.32 H new ATOM 0 HD23 LEU A 61 -9.657 2.920 -14.902 1.00 1.32 H new ATOM 914 N MET A 62 -8.544 5.987 -10.366 1.00 5.12 N ATOM 915 CA MET A 62 -9.182 5.958 -9.057 1.00 74.32 C ATOM 916 C MET A 62 -9.865 7.287 -8.753 1.00 42.24 C ATOM 917 O MET A 62 -11.076 7.340 -8.543 1.00 43.24 O ATOM 918 CB MET A 62 -8.155 5.639 -7.969 1.00 42.54 C ATOM 919 CG MET A 62 -7.542 4.254 -8.098 1.00 24.05 C ATOM 920 SD MET A 62 -8.593 2.963 -7.407 1.00 44.21 S ATOM 921 CE MET A 62 -9.040 2.060 -8.888 1.00 45.45 C ATOM 0 H MET A 62 -7.525 6.021 -10.338 1.00 5.12 H new ATOM 0 HA MET A 62 -9.940 5.175 -9.071 1.00 74.32 H new ATOM 0 HB2 MET A 62 -7.360 6.384 -8.002 1.00 42.54 H new ATOM 0 HB3 MET A 62 -8.633 5.726 -6.993 1.00 42.54 H new ATOM 0 HG2 MET A 62 -7.355 4.040 -9.150 1.00 24.05 H new ATOM 0 HG3 MET A 62 -6.576 4.240 -7.593 1.00 24.05 H new ATOM 0 HE1 MET A 62 -9.691 1.227 -8.624 1.00 45.45 H new ATOM 0 HE2 MET A 62 -9.562 2.725 -9.576 1.00 45.45 H new ATOM 0 HE3 MET A 62 -8.139 1.678 -9.367 1.00 45.45 H new ATOM 931 N GLU A 63 -9.079 8.359 -8.731 1.00 3.04 N ATOM 932 CA GLU A 63 -9.608 9.690 -8.454 1.00 74.33 C ATOM 933 C GLU A 63 -8.820 10.756 -9.207 1.00 21.00 C ATOM 934 O GLU A 63 -7.824 11.278 -8.704 1.00 12.42 O ATOM 935 CB GLU A 63 -9.567 9.974 -6.951 1.00 2.00 C ATOM 936 CG GLU A 63 -10.572 9.162 -6.151 1.00 1.04 C ATOM 937 CD GLU A 63 -10.268 9.160 -4.666 1.00 52.00 C ATOM 938 OE1 GLU A 63 -9.637 10.127 -4.187 1.00 61.50 O ATOM 939 OE2 GLU A 63 -10.662 8.193 -3.980 1.00 34.25 O ATOM 0 H GLU A 63 -8.074 8.332 -8.902 1.00 3.04 H new ATOM 0 HA GLU A 63 -10.643 9.721 -8.795 1.00 74.33 H new ATOM 0 HB2 GLU A 63 -8.564 9.766 -6.578 1.00 2.00 H new ATOM 0 HB3 GLU A 63 -9.755 11.035 -6.785 1.00 2.00 H new ATOM 0 HG2 GLU A 63 -11.571 9.566 -6.313 1.00 1.04 H new ATOM 0 HG3 GLU A 63 -10.579 8.136 -6.518 1.00 1.04 H new ATOM 946 N GLN A 64 -9.271 11.076 -10.415 1.00 63.01 N ATOM 947 CA GLN A 64 -8.607 12.081 -11.238 1.00 12.32 C ATOM 948 C GLN A 64 -9.629 12.973 -11.936 1.00 51.11 C ATOM 949 O GLN A 64 -10.532 12.486 -12.615 1.00 44.52 O ATOM 950 CB GLN A 64 -7.707 11.408 -12.276 1.00 13.05 C ATOM 951 CG GLN A 64 -6.509 12.251 -12.678 1.00 33.12 C ATOM 952 CD GLN A 64 -5.396 12.213 -11.649 1.00 42.03 C ATOM 953 OE1 GLN A 64 -5.434 11.422 -10.707 1.00 0.22 O ATOM 954 NE2 GLN A 64 -4.399 13.072 -11.824 1.00 75.32 N ATOM 0 H GLN A 64 -10.094 10.654 -10.846 1.00 63.01 H new ATOM 0 HA GLN A 64 -7.994 12.702 -10.585 1.00 12.32 H new ATOM 0 HB2 GLN A 64 -7.354 10.457 -11.877 1.00 13.05 H new ATOM 0 HB3 GLN A 64 -8.297 11.182 -13.164 1.00 13.05 H new ATOM 0 HG2 GLN A 64 -6.126 11.897 -13.635 1.00 33.12 H new ATOM 0 HG3 GLN A 64 -6.828 13.283 -12.824 1.00 33.12 H new ATOM 0 HE21 GLN A 64 -4.409 13.710 -12.620 1.00 75.32 H new ATOM 0 HE22 GLN A 64 -3.623 13.094 -11.163 1.00 75.32 H new ATOM 963 N ARG A 65 -9.480 14.282 -11.762 1.00 1.31 N ATOM 964 CA ARG A 65 -10.390 15.243 -12.376 1.00 12.02 C ATOM 965 C ARG A 65 -9.716 15.963 -13.540 1.00 24.24 C ATOM 966 O ARG A 65 -10.305 15.982 -14.642 1.00 37.68 O ATOM 967 CB ARG A 65 -10.866 16.261 -11.338 1.00 33.23 C ATOM 968 CG ARG A 65 -12.098 15.814 -10.568 1.00 14.11 C ATOM 969 CD ARG A 65 -11.722 14.985 -9.350 1.00 62.15 C ATOM 970 NE ARG A 65 -12.878 14.708 -8.500 1.00 3.32 N ATOM 971 CZ ARG A 65 -12.789 14.217 -7.266 1.00 41.20 C ATOM 972 NH1 ARG A 65 -11.603 13.948 -6.735 1.00 75.33 N ATOM 973 NH2 ARG A 65 -13.889 13.994 -6.561 1.00 31.30 N ATOM 974 OXT ARG A 65 -8.607 16.501 -13.340 1.00 37.68 O ATOM 0 H ARG A 65 -8.738 14.702 -11.201 1.00 1.31 H new ATOM 0 HA ARG A 65 -11.251 14.696 -12.760 1.00 12.02 H new ATOM 0 HB2 ARG A 65 -10.057 16.454 -10.633 1.00 33.23 H new ATOM 0 HB3 ARG A 65 -11.083 17.204 -11.839 1.00 33.23 H new ATOM 0 HG2 ARG A 65 -12.669 16.688 -10.253 1.00 14.11 H new ATOM 0 HG3 ARG A 65 -12.745 15.229 -11.222 1.00 14.11 H new ATOM 0 HD2 ARG A 65 -11.277 14.045 -9.675 1.00 62.15 H new ATOM 0 HD3 ARG A 65 -10.964 15.513 -8.771 1.00 62.15 H new ATOM 0 HE ARG A 65 -13.807 14.902 -8.874 1.00 3.32 H new ATOM 0 HH11 ARG A 65 -10.753 14.117 -7.273 1.00 75.33 H new ATOM 0 HH12 ARG A 65 -11.541 13.572 -5.789 1.00 75.33 H new ATOM 0 HH21 ARG A 65 -14.803 14.199 -6.964 1.00 31.30 H new ATOM 0 HH22 ARG A 65 -13.821 13.618 -5.615 1.00 31.30 H new TER 988 ARG A 65