USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 484 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 18 CYS SG : rot -103:sc= -3.87! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.239 X(o=-0.24,f=-0.69) USER MOD Single : A 25 MET CE :methyl -156:sc= -0.0624 (180deg=-0.883) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0.0051) USER MOD Single : A 50 THR OG1 : rot -17:sc= 0.821 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.963 USER MOD Single : A 59 CYS SG : rot 22:sc= -2.01! USER MOD Single : A 64 MET CE :methyl 170:sc= -3.21! (180deg=-3.45!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 169:sc=-0.00793 (180deg=-0.164) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -80:sc= 0.765 USER MOD Single : A 83 ASN : amide:sc=-0.00114 X(o=-0.0011,f=-0.0067) USER MOD ----------------------------------------------------------------- ATOM 29 N ILE A 17 -10.300 6.471 4.481 1.00 0.70 N ATOM 30 CA ILE A 17 -11.143 6.103 3.349 1.00 0.64 C ATOM 31 C ILE A 17 -11.582 4.648 3.467 1.00 0.57 C ATOM 32 O ILE A 17 -12.747 4.317 3.245 1.00 0.57 O ATOM 33 CB ILE A 17 -10.431 6.328 1.989 1.00 0.65 C ATOM 34 CG1 ILE A 17 -10.262 7.823 1.712 1.00 0.74 C ATOM 35 CG2 ILE A 17 -11.209 5.676 0.854 1.00 0.65 C ATOM 36 CD1 ILE A 17 -9.237 8.503 2.588 1.00 0.80 C ATOM 0 HA ILE A 17 -12.017 6.753 3.376 1.00 0.64 H new ATOM 0 HB ILE A 17 -9.446 5.865 2.046 1.00 0.65 H new ATOM 0 HG12 ILE A 17 -9.978 7.958 0.668 1.00 0.74 H new ATOM 0 HG13 ILE A 17 -11.224 8.317 1.847 1.00 0.74 H new ATOM 0 HG21 ILE A 17 -10.690 5.848 -0.089 1.00 0.65 H new ATOM 0 HG22 ILE A 17 -11.287 4.604 1.035 1.00 0.65 H new ATOM 0 HG23 ILE A 17 -12.208 6.109 0.802 1.00 0.65 H new ATOM 0 HD11 ILE A 17 -9.179 9.560 2.327 1.00 0.80 H new ATOM 0 HD12 ILE A 17 -9.528 8.403 3.634 1.00 0.80 H new ATOM 0 HD13 ILE A 17 -8.263 8.038 2.436 1.00 0.80 H new ATOM 48 N CYS A 18 -10.646 3.798 3.866 1.00 0.55 N ATOM 49 CA CYS A 18 -10.913 2.377 4.036 1.00 0.51 C ATOM 50 C CYS A 18 -11.919 2.178 5.163 1.00 0.53 C ATOM 51 O CYS A 18 -12.858 1.388 5.056 1.00 0.51 O ATOM 52 CB CYS A 18 -9.604 1.645 4.356 1.00 0.52 C ATOM 53 SG CYS A 18 -9.705 -0.155 4.269 1.00 1.35 S ATOM 0 H CYS A 18 -9.687 4.072 4.080 1.00 0.55 H new ATOM 0 HA CYS A 18 -11.330 1.969 3.115 1.00 0.51 H new ATOM 0 HB2 CYS A 18 -8.834 1.986 3.663 1.00 0.52 H new ATOM 0 HB3 CYS A 18 -9.280 1.929 5.357 1.00 0.52 H new ATOM 0 HG CYS A 18 -9.771 -0.645 5.472 1.00 1.35 H new ATOM 59 N LEU A 19 -11.719 2.939 6.229 1.00 0.58 N ATOM 60 CA LEU A 19 -12.586 2.893 7.398 1.00 0.63 C ATOM 61 C LEU A 19 -14.005 3.274 7.023 1.00 0.63 C ATOM 62 O LEU A 19 -14.968 2.596 7.384 1.00 0.63 O ATOM 63 CB LEU A 19 -12.072 3.866 8.451 1.00 0.72 C ATOM 64 CG LEU A 19 -12.792 3.821 9.800 1.00 0.83 C ATOM 65 CD1 LEU A 19 -12.664 2.445 10.436 1.00 1.14 C ATOM 66 CD2 LEU A 19 -12.240 4.894 10.728 1.00 1.16 C ATOM 0 H LEU A 19 -10.951 3.606 6.308 1.00 0.58 H new ATOM 0 HA LEU A 19 -12.583 1.877 7.793 1.00 0.63 H new ATOM 0 HB2 LEU A 19 -11.013 3.667 8.618 1.00 0.72 H new ATOM 0 HB3 LEU A 19 -12.147 4.878 8.053 1.00 0.72 H new ATOM 0 HG LEU A 19 -13.851 4.017 9.632 1.00 0.83 H new ATOM 0 HD11 LEU A 19 -13.184 2.437 11.394 1.00 1.14 H new ATOM 0 HD12 LEU A 19 -13.106 1.697 9.777 1.00 1.14 H new ATOM 0 HD13 LEU A 19 -11.611 2.213 10.593 1.00 1.14 H new ATOM 0 HD21 LEU A 19 -12.761 4.851 11.684 1.00 1.16 H new ATOM 0 HD22 LEU A 19 -11.175 4.725 10.887 1.00 1.16 H new ATOM 0 HD23 LEU A 19 -12.388 5.876 10.278 1.00 1.16 H new ATOM 78 N ARG A 20 -14.115 4.373 6.297 1.00 0.64 N ATOM 79 CA ARG A 20 -15.404 4.904 5.865 1.00 0.65 C ATOM 80 C ARG A 20 -16.155 3.888 5.015 1.00 0.58 C ATOM 81 O ARG A 20 -17.379 3.768 5.101 1.00 0.60 O ATOM 82 CB ARG A 20 -15.192 6.190 5.065 1.00 0.69 C ATOM 83 CG ARG A 20 -16.480 6.861 4.617 1.00 0.82 C ATOM 84 CD ARG A 20 -16.191 8.114 3.806 1.00 1.37 C ATOM 85 NE ARG A 20 -17.411 8.833 3.443 1.00 2.06 N ATOM 86 CZ ARG A 20 -17.424 10.017 2.834 1.00 2.90 C ATOM 87 NH1 ARG A 20 -16.283 10.616 2.509 1.00 3.23 N ATOM 88 NH2 ARG A 20 -18.578 10.606 2.556 1.00 3.84 N ATOM 0 H ARG A 20 -13.315 4.925 5.988 1.00 0.64 H new ATOM 0 HA ARG A 20 -16.001 5.119 6.752 1.00 0.65 H new ATOM 0 HB2 ARG A 20 -14.621 6.893 5.672 1.00 0.69 H new ATOM 0 HB3 ARG A 20 -14.588 5.963 4.186 1.00 0.69 H new ATOM 0 HG2 ARG A 20 -17.068 6.164 4.019 1.00 0.82 H new ATOM 0 HG3 ARG A 20 -17.082 7.119 5.489 1.00 0.82 H new ATOM 0 HD2 ARG A 20 -15.540 8.774 4.380 1.00 1.37 H new ATOM 0 HD3 ARG A 20 -15.649 7.841 2.900 1.00 1.37 H new ATOM 0 HE ARG A 20 -18.307 8.401 3.670 1.00 2.06 H new ATOM 0 HH11 ARG A 20 -15.392 10.169 2.726 1.00 3.23 H new ATOM 0 HH12 ARG A 20 -16.298 11.523 2.043 1.00 3.23 H new ATOM 0 HH21 ARG A 20 -19.456 10.152 2.809 1.00 3.84 H new ATOM 0 HH22 ARG A 20 -18.588 11.513 2.090 1.00 3.84 H new ATOM 102 N LYS A 21 -15.409 3.141 4.212 1.00 0.51 N ATOM 103 CA LYS A 21 -15.981 2.154 3.306 1.00 0.46 C ATOM 104 C LYS A 21 -16.462 0.919 4.055 1.00 0.45 C ATOM 105 O LYS A 21 -16.916 -0.050 3.444 1.00 0.44 O ATOM 106 CB LYS A 21 -14.942 1.760 2.266 1.00 0.41 C ATOM 107 CG LYS A 21 -14.724 2.824 1.212 1.00 0.52 C ATOM 108 CD LYS A 21 -16.010 3.141 0.476 1.00 0.72 C ATOM 109 CE LYS A 21 -16.420 2.021 -0.466 1.00 0.72 C ATOM 110 NZ LYS A 21 -17.721 2.298 -1.130 1.00 1.10 N ATOM 0 H LYS A 21 -14.392 3.202 4.170 1.00 0.51 H new ATOM 0 HA LYS A 21 -16.846 2.601 2.816 1.00 0.46 H new ATOM 0 HB2 LYS A 21 -13.996 1.554 2.766 1.00 0.41 H new ATOM 0 HB3 LYS A 21 -15.255 0.835 1.781 1.00 0.41 H new ATOM 0 HG2 LYS A 21 -14.338 3.729 1.680 1.00 0.52 H new ATOM 0 HG3 LYS A 21 -13.970 2.486 0.502 1.00 0.52 H new ATOM 0 HD2 LYS A 21 -16.807 3.316 1.199 1.00 0.72 H new ATOM 0 HD3 LYS A 21 -15.885 4.064 -0.091 1.00 0.72 H new ATOM 0 HE2 LYS A 21 -15.648 1.884 -1.224 1.00 0.72 H new ATOM 0 HE3 LYS A 21 -16.489 1.086 0.091 1.00 0.72 H new ATOM 0 HZ1 LYS A 21 -17.962 1.509 -1.763 1.00 1.10 H new ATOM 0 HZ2 LYS A 21 -18.463 2.403 -0.409 1.00 1.10 H new ATOM 0 HZ3 LYS A 21 -17.649 3.176 -1.683 1.00 1.10 H new ATOM 124 N ASN A 22 -16.338 0.971 5.378 1.00 0.48 N ATOM 125 CA ASN A 22 -16.776 -0.103 6.265 1.00 0.50 C ATOM 126 C ASN A 22 -15.835 -1.300 6.129 1.00 0.42 C ATOM 127 O ASN A 22 -16.166 -2.435 6.476 1.00 0.49 O ATOM 128 CB ASN A 22 -18.241 -0.481 5.969 1.00 0.59 C ATOM 129 CG ASN A 22 -18.859 -1.413 6.999 1.00 1.08 C ATOM 130 OD1 ASN A 22 -18.833 -2.636 6.849 1.00 1.55 O ATOM 131 ND2 ASN A 22 -19.430 -0.843 8.047 1.00 1.92 N ATOM 0 H ASN A 22 -15.928 1.765 5.869 1.00 0.48 H new ATOM 0 HA ASN A 22 -16.736 0.238 7.300 1.00 0.50 H new ATOM 0 HB2 ASN A 22 -18.837 0.430 5.915 1.00 0.59 H new ATOM 0 HB3 ASN A 22 -18.292 -0.954 4.988 1.00 0.59 H new ATOM 0 HD21 ASN A 22 -19.869 -1.419 8.765 1.00 1.92 H new ATOM 0 HD22 ASN A 22 -19.432 0.173 8.137 1.00 1.92 H new ATOM 138 N TRP A 23 -14.641 -1.029 5.630 1.00 0.35 N ATOM 139 CA TRP A 23 -13.610 -2.044 5.533 1.00 0.29 C ATOM 140 C TRP A 23 -12.753 -2.016 6.788 1.00 0.34 C ATOM 141 O TRP A 23 -12.690 -0.995 7.477 1.00 0.40 O ATOM 142 CB TRP A 23 -12.700 -1.802 4.326 1.00 0.26 C ATOM 143 CG TRP A 23 -13.396 -1.743 3.002 1.00 0.24 C ATOM 144 CD1 TRP A 23 -14.562 -2.352 2.641 1.00 0.25 C ATOM 145 CD2 TRP A 23 -12.927 -1.051 1.846 1.00 0.24 C ATOM 146 NE1 TRP A 23 -14.854 -2.061 1.325 1.00 0.25 N ATOM 147 CE2 TRP A 23 -13.859 -1.265 0.818 1.00 0.25 C ATOM 148 CE3 TRP A 23 -11.806 -0.262 1.586 1.00 0.27 C ATOM 149 CZ2 TRP A 23 -13.697 -0.718 -0.454 1.00 0.29 C ATOM 150 CZ3 TRP A 23 -11.649 0.276 0.329 1.00 0.31 C ATOM 151 CH2 TRP A 23 -12.589 0.048 -0.679 1.00 0.31 C ATOM 0 H TRP A 23 -14.363 -0.110 5.285 1.00 0.35 H new ATOM 0 HA TRP A 23 -14.103 -3.010 5.418 1.00 0.29 H new ATOM 0 HB2 TRP A 23 -12.164 -0.865 4.478 1.00 0.26 H new ATOM 0 HB3 TRP A 23 -11.953 -2.595 4.290 1.00 0.26 H new ATOM 0 HD1 TRP A 23 -15.166 -2.970 3.289 1.00 0.25 H new ATOM 0 HE1 TRP A 23 -15.675 -2.385 0.813 1.00 0.25 H new ATOM 0 HE3 TRP A 23 -11.074 -0.077 2.358 1.00 0.27 H new ATOM 0 HZ2 TRP A 23 -14.423 -0.894 -1.234 1.00 0.29 H new ATOM 0 HZ3 TRP A 23 -10.783 0.886 0.118 1.00 0.31 H new ATOM 0 HH2 TRP A 23 -12.437 0.486 -1.654 1.00 0.31 H new ATOM 162 N PRO A 24 -12.109 -3.138 7.122 1.00 0.34 N ATOM 163 CA PRO A 24 -11.077 -3.181 8.157 1.00 0.40 C ATOM 164 C PRO A 24 -9.869 -2.333 7.786 1.00 0.39 C ATOM 165 O PRO A 24 -9.871 -1.630 6.777 1.00 0.41 O ATOM 166 CB PRO A 24 -10.677 -4.647 8.187 1.00 0.43 C ATOM 167 CG PRO A 24 -11.829 -5.368 7.626 1.00 0.44 C ATOM 168 CD PRO A 24 -12.350 -4.470 6.555 1.00 0.34 C ATOM 0 HA PRO A 24 -11.436 -2.794 9.111 1.00 0.40 H new ATOM 0 HB2 PRO A 24 -9.777 -4.822 7.598 1.00 0.43 H new ATOM 0 HB3 PRO A 24 -10.462 -4.977 9.203 1.00 0.43 H new ATOM 0 HG2 PRO A 24 -11.532 -6.336 7.222 1.00 0.44 H new ATOM 0 HG3 PRO A 24 -12.586 -5.558 8.387 1.00 0.44 H new ATOM 0 HD2 PRO A 24 -11.822 -4.612 5.612 1.00 0.34 H new ATOM 0 HD3 PRO A 24 -13.408 -4.643 6.358 1.00 0.34 H new ATOM 176 N MET A 25 -8.835 -2.409 8.594 1.00 0.47 N ATOM 177 CA MET A 25 -7.604 -1.701 8.314 1.00 0.47 C ATOM 178 C MET A 25 -6.755 -2.488 7.326 1.00 0.38 C ATOM 179 O MET A 25 -6.556 -3.692 7.493 1.00 0.44 O ATOM 180 CB MET A 25 -6.860 -1.471 9.617 1.00 0.61 C ATOM 181 CG MET A 25 -7.639 -0.581 10.558 1.00 0.70 C ATOM 182 SD MET A 25 -7.648 1.142 10.019 1.00 0.90 S ATOM 183 CE MET A 25 -8.892 1.833 11.102 1.00 1.00 C ATOM 0 H MET A 25 -8.822 -2.957 9.454 1.00 0.47 H new ATOM 0 HA MET A 25 -7.827 -0.736 7.859 1.00 0.47 H new ATOM 0 HB2 MET A 25 -6.667 -2.429 10.099 1.00 0.61 H new ATOM 0 HB3 MET A 25 -5.891 -1.018 9.407 1.00 0.61 H new ATOM 0 HG2 MET A 25 -8.665 -0.942 10.631 1.00 0.70 H new ATOM 0 HG3 MET A 25 -7.207 -0.645 11.557 1.00 0.70 H new ATOM 0 HE1 MET A 25 -9.318 2.726 10.644 1.00 1.00 H new ATOM 0 HE2 MET A 25 -9.680 1.098 11.266 1.00 1.00 H new ATOM 0 HE3 MET A 25 -8.437 2.097 12.057 1.00 1.00 H new ATOM 193 N PRO A 26 -6.257 -1.818 6.274 1.00 0.32 N ATOM 194 CA PRO A 26 -5.488 -2.471 5.211 1.00 0.25 C ATOM 195 C PRO A 26 -4.187 -3.084 5.714 1.00 0.23 C ATOM 196 O PRO A 26 -3.667 -2.707 6.767 1.00 0.27 O ATOM 197 CB PRO A 26 -5.168 -1.345 4.230 1.00 0.30 C ATOM 198 CG PRO A 26 -6.091 -0.227 4.577 1.00 0.46 C ATOM 199 CD PRO A 26 -6.401 -0.373 6.038 1.00 0.44 C ATOM 0 HA PRO A 26 -6.056 -3.293 4.776 1.00 0.25 H new ATOM 0 HB2 PRO A 26 -4.127 -1.034 4.318 1.00 0.30 H new ATOM 0 HB3 PRO A 26 -5.317 -1.670 3.200 1.00 0.30 H new ATOM 0 HG2 PRO A 26 -5.627 0.738 4.373 1.00 0.46 H new ATOM 0 HG3 PRO A 26 -7.002 -0.275 3.980 1.00 0.46 H new ATOM 0 HD2 PRO A 26 -5.713 0.205 6.655 1.00 0.44 H new ATOM 0 HD3 PRO A 26 -7.407 -0.026 6.272 1.00 0.44 H new ATOM 207 N SER A 27 -3.663 -4.010 4.933 1.00 0.20 N ATOM 208 CA SER A 27 -2.416 -4.678 5.257 1.00 0.20 C ATOM 209 C SER A 27 -1.245 -3.842 4.775 1.00 0.17 C ATOM 210 O SER A 27 -1.307 -3.245 3.697 1.00 0.17 O ATOM 211 CB SER A 27 -2.377 -6.050 4.590 1.00 0.25 C ATOM 212 OG SER A 27 -1.294 -6.837 5.064 1.00 0.30 O ATOM 0 H SER A 27 -4.088 -4.320 4.059 1.00 0.20 H new ATOM 0 HA SER A 27 -2.348 -4.802 6.338 1.00 0.20 H new ATOM 0 HB2 SER A 27 -3.315 -6.572 4.778 1.00 0.25 H new ATOM 0 HB3 SER A 27 -2.291 -5.927 3.510 1.00 0.25 H new ATOM 0 HG SER A 27 -1.302 -7.709 4.616 1.00 0.30 H new ATOM 218 N TYR A 28 -0.178 -3.813 5.557 1.00 0.17 N ATOM 219 CA TYR A 28 1.009 -3.057 5.207 1.00 0.17 C ATOM 220 C TYR A 28 2.244 -3.880 5.575 1.00 0.20 C ATOM 221 O TYR A 28 2.517 -4.098 6.754 1.00 0.25 O ATOM 222 CB TYR A 28 1.034 -1.699 5.928 1.00 0.20 C ATOM 223 CG TYR A 28 0.060 -0.678 5.366 1.00 0.19 C ATOM 224 CD1 TYR A 28 -1.248 -0.603 5.826 1.00 0.20 C ATOM 225 CD2 TYR A 28 0.455 0.214 4.377 1.00 0.22 C ATOM 226 CE1 TYR A 28 -2.133 0.326 5.311 1.00 0.23 C ATOM 227 CE2 TYR A 28 -0.422 1.146 3.857 1.00 0.25 C ATOM 228 CZ TYR A 28 -1.715 1.199 4.329 1.00 0.25 C ATOM 229 OH TYR A 28 -2.595 2.124 3.810 1.00 0.30 O ATOM 0 H TYR A 28 -0.112 -4.310 6.445 1.00 0.17 H new ATOM 0 HA TYR A 28 1.003 -2.858 4.135 1.00 0.17 H new ATOM 0 HB2 TYR A 28 0.810 -1.856 6.983 1.00 0.20 H new ATOM 0 HB3 TYR A 28 2.043 -1.290 5.874 1.00 0.20 H new ATOM 0 HD1 TYR A 28 -1.579 -1.281 6.598 1.00 0.20 H new ATOM 0 HD2 TYR A 28 1.469 0.178 4.007 1.00 0.22 H new ATOM 0 HE1 TYR A 28 -3.148 0.368 5.677 1.00 0.23 H new ATOM 0 HE2 TYR A 28 -0.096 1.828 3.086 1.00 0.25 H new ATOM 0 HH TYR A 28 -2.140 2.662 3.129 1.00 0.30 H new ATOM 239 N ARG A 29 2.978 -4.353 4.569 1.00 0.23 N ATOM 240 CA ARG A 29 4.109 -5.247 4.791 1.00 0.33 C ATOM 241 C ARG A 29 5.212 -4.978 3.771 1.00 0.24 C ATOM 242 O ARG A 29 4.977 -5.043 2.564 1.00 0.22 O ATOM 243 CB ARG A 29 3.644 -6.701 4.674 1.00 0.50 C ATOM 244 CG ARG A 29 4.755 -7.726 4.843 1.00 1.34 C ATOM 245 CD ARG A 29 4.252 -9.131 4.552 1.00 1.55 C ATOM 246 NE ARG A 29 5.299 -10.139 4.711 1.00 2.13 N ATOM 247 CZ ARG A 29 5.451 -11.188 3.898 1.00 2.75 C ATOM 248 NH1 ARG A 29 4.655 -11.342 2.844 1.00 2.84 N ATOM 249 NH2 ARG A 29 6.400 -12.082 4.138 1.00 3.69 N ATOM 0 H ARG A 29 2.807 -4.130 3.589 1.00 0.23 H new ATOM 0 HA ARG A 29 4.506 -5.068 5.790 1.00 0.33 H new ATOM 0 HB2 ARG A 29 2.876 -6.887 5.425 1.00 0.50 H new ATOM 0 HB3 ARG A 29 3.178 -6.844 3.699 1.00 0.50 H new ATOM 0 HG2 ARG A 29 5.581 -7.486 4.173 1.00 1.34 H new ATOM 0 HG3 ARG A 29 5.146 -7.679 5.860 1.00 1.34 H new ATOM 0 HD2 ARG A 29 3.423 -9.363 5.220 1.00 1.55 H new ATOM 0 HD3 ARG A 29 3.863 -9.172 3.535 1.00 1.55 H new ATOM 0 HE ARG A 29 5.951 -10.035 5.488 1.00 2.13 H new ATOM 0 HH11 ARG A 29 3.924 -10.657 2.653 1.00 2.84 H new ATOM 0 HH12 ARG A 29 4.776 -12.145 2.227 1.00 2.84 H new ATOM 0 HH21 ARG A 29 7.015 -11.969 4.944 1.00 3.69 H new ATOM 0 HH22 ARG A 29 6.515 -12.883 3.517 1.00 3.69 H new ATOM 263 N CYS A 30 6.406 -4.669 4.258 1.00 0.31 N ATOM 264 CA CYS A 30 7.544 -4.409 3.384 1.00 0.31 C ATOM 265 C CYS A 30 7.903 -5.657 2.587 1.00 0.27 C ATOM 266 O CYS A 30 8.205 -6.706 3.160 1.00 0.30 O ATOM 267 CB CYS A 30 8.745 -3.940 4.205 1.00 0.45 C ATOM 268 SG CYS A 30 8.460 -2.404 5.116 1.00 1.53 S ATOM 0 H CYS A 30 6.613 -4.592 5.254 1.00 0.31 H new ATOM 0 HA CYS A 30 7.269 -3.620 2.684 1.00 0.31 H new ATOM 0 HB2 CYS A 30 9.017 -4.724 4.912 1.00 0.45 H new ATOM 0 HB3 CYS A 30 9.596 -3.802 3.538 1.00 0.45 H new ATOM 0 HG CYS A 30 9.531 -2.089 5.782 1.00 1.53 H new ATOM 274 N VAL A 31 7.858 -5.544 1.263 1.00 0.26 N ATOM 275 CA VAL A 31 8.122 -6.682 0.399 1.00 0.28 C ATOM 276 C VAL A 31 9.610 -6.834 0.134 1.00 0.27 C ATOM 277 O VAL A 31 10.132 -7.949 0.100 1.00 0.32 O ATOM 278 CB VAL A 31 7.362 -6.593 -0.945 1.00 0.34 C ATOM 279 CG1 VAL A 31 5.865 -6.557 -0.704 1.00 1.15 C ATOM 280 CG2 VAL A 31 7.794 -5.392 -1.772 1.00 1.15 C ATOM 0 H VAL A 31 7.642 -4.678 0.770 1.00 0.26 H new ATOM 0 HA VAL A 31 7.758 -7.561 0.932 1.00 0.28 H new ATOM 0 HB VAL A 31 7.612 -7.486 -1.517 1.00 0.34 H new ATOM 0 HG11 VAL A 31 5.344 -6.494 -1.659 1.00 1.15 H new ATOM 0 HG12 VAL A 31 5.559 -7.464 -0.182 1.00 1.15 H new ATOM 0 HG13 VAL A 31 5.615 -5.687 -0.097 1.00 1.15 H new ATOM 0 HG21 VAL A 31 7.233 -5.373 -2.706 1.00 1.15 H new ATOM 0 HG22 VAL A 31 7.600 -4.477 -1.213 1.00 1.15 H new ATOM 0 HG23 VAL A 31 8.859 -5.465 -1.991 1.00 1.15 H new ATOM 290 N LYS A 32 10.295 -5.716 -0.033 1.00 0.24 N ATOM 291 CA LYS A 32 11.723 -5.734 -0.297 1.00 0.26 C ATOM 292 C LYS A 32 12.443 -4.675 0.533 1.00 0.31 C ATOM 293 O LYS A 32 12.069 -3.499 0.521 1.00 0.31 O ATOM 294 CB LYS A 32 11.996 -5.481 -1.779 1.00 0.30 C ATOM 295 CG LYS A 32 13.441 -5.732 -2.180 1.00 0.61 C ATOM 296 CD LYS A 32 13.659 -5.504 -3.664 1.00 1.14 C ATOM 297 CE LYS A 32 15.108 -5.742 -4.056 1.00 1.37 C ATOM 298 NZ LYS A 32 15.328 -5.543 -5.509 1.00 2.25 N ATOM 0 H LYS A 32 9.885 -4.783 0.010 1.00 0.24 H new ATOM 0 HA LYS A 32 12.099 -6.719 -0.021 1.00 0.26 H new ATOM 0 HB2 LYS A 32 11.345 -6.121 -2.375 1.00 0.30 H new ATOM 0 HB3 LYS A 32 11.735 -4.450 -2.018 1.00 0.30 H new ATOM 0 HG2 LYS A 32 14.096 -5.073 -1.610 1.00 0.61 H new ATOM 0 HG3 LYS A 32 13.717 -6.755 -1.925 1.00 0.61 H new ATOM 0 HD2 LYS A 32 13.012 -6.170 -4.235 1.00 1.14 H new ATOM 0 HD3 LYS A 32 13.374 -4.484 -3.923 1.00 1.14 H new ATOM 0 HE2 LYS A 32 15.752 -5.064 -3.495 1.00 1.37 H new ATOM 0 HE3 LYS A 32 15.397 -6.756 -3.781 1.00 1.37 H new ATOM 0 HZ1 LYS A 32 16.328 -5.715 -5.735 1.00 2.25 H new ATOM 0 HZ2 LYS A 32 14.733 -6.207 -6.044 1.00 2.25 H new ATOM 0 HZ3 LYS A 32 15.077 -4.567 -5.768 1.00 2.25 H new ATOM 415 N ARG A 41 17.122 1.277 -0.675 1.00 0.39 N ATOM 416 CA ARG A 41 15.816 1.694 -1.144 1.00 0.33 C ATOM 417 C ARG A 41 14.816 0.582 -0.876 1.00 0.28 C ATOM 418 O ARG A 41 15.075 -0.592 -1.149 1.00 0.36 O ATOM 419 CB ARG A 41 15.838 2.057 -2.631 1.00 0.39 C ATOM 420 CG ARG A 41 16.516 1.027 -3.524 1.00 1.16 C ATOM 421 CD ARG A 41 16.482 1.462 -4.980 1.00 1.48 C ATOM 422 NE ARG A 41 17.100 0.485 -5.874 1.00 2.15 N ATOM 423 CZ ARG A 41 16.822 0.389 -7.176 1.00 2.71 C ATOM 424 NH1 ARG A 41 15.946 1.214 -7.738 1.00 2.69 N ATOM 425 NH2 ARG A 41 17.430 -0.527 -7.921 1.00 3.64 N ATOM 0 HA ARG A 41 15.520 2.593 -0.603 1.00 0.33 H new ATOM 0 HB2 ARG A 41 14.812 2.196 -2.973 1.00 0.39 H new ATOM 0 HB3 ARG A 41 16.347 3.014 -2.751 1.00 0.39 H new ATOM 0 HG2 ARG A 41 17.549 0.889 -3.206 1.00 1.16 H new ATOM 0 HG3 ARG A 41 16.018 0.063 -3.417 1.00 1.16 H new ATOM 0 HD2 ARG A 41 15.447 1.623 -5.283 1.00 1.48 H new ATOM 0 HD3 ARG A 41 16.996 2.418 -5.082 1.00 1.48 H new ATOM 0 HE ARG A 41 17.784 -0.161 -5.480 1.00 2.15 H new ATOM 0 HH11 ARG A 41 15.482 1.926 -7.174 1.00 2.69 H new ATOM 0 HH12 ARG A 41 15.738 1.136 -8.733 1.00 2.69 H new ATOM 0 HH21 ARG A 41 18.110 -1.158 -7.498 1.00 3.64 H new ATOM 0 HH22 ARG A 41 17.216 -0.599 -8.916 1.00 3.64 H new ATOM 439 N PHE A 42 13.682 0.965 -0.326 1.00 0.23 N ATOM 440 CA PHE A 42 12.706 0.005 0.152 1.00 0.24 C ATOM 441 C PHE A 42 11.475 0.007 -0.724 1.00 0.19 C ATOM 442 O PHE A 42 11.057 1.045 -1.232 1.00 0.20 O ATOM 443 CB PHE A 42 12.306 0.322 1.596 1.00 0.32 C ATOM 444 CG PHE A 42 13.468 0.624 2.496 1.00 0.33 C ATOM 445 CD1 PHE A 42 14.519 -0.270 2.628 1.00 0.71 C ATOM 446 CD2 PHE A 42 13.509 1.810 3.206 1.00 0.37 C ATOM 447 CE1 PHE A 42 15.587 0.014 3.458 1.00 0.79 C ATOM 448 CE2 PHE A 42 14.573 2.100 4.036 1.00 0.37 C ATOM 449 CZ PHE A 42 15.612 1.201 4.165 1.00 0.46 C ATOM 0 H PHE A 42 13.412 1.940 -0.198 1.00 0.23 H new ATOM 0 HA PHE A 42 13.164 -0.984 0.114 1.00 0.24 H new ATOM 0 HB2 PHE A 42 11.628 1.175 1.596 1.00 0.32 H new ATOM 0 HB3 PHE A 42 11.753 -0.524 2.004 1.00 0.32 H new ATOM 0 HD1 PHE A 42 14.503 -1.198 2.076 1.00 0.71 H new ATOM 0 HD2 PHE A 42 12.699 2.518 3.110 1.00 0.37 H new ATOM 0 HE1 PHE A 42 16.400 -0.690 3.554 1.00 0.79 H new ATOM 0 HE2 PHE A 42 14.592 3.030 4.584 1.00 0.37 H new ATOM 0 HZ PHE A 42 16.443 1.425 4.817 1.00 0.46 H new ATOM 459 N THR A 43 10.911 -1.168 -0.904 1.00 0.17 N ATOM 460 CA THR A 43 9.718 -1.332 -1.699 1.00 0.17 C ATOM 461 C THR A 43 8.692 -2.116 -0.897 1.00 0.17 C ATOM 462 O THR A 43 9.041 -3.080 -0.209 1.00 0.24 O ATOM 463 CB THR A 43 10.042 -2.060 -3.017 1.00 0.20 C ATOM 464 OG1 THR A 43 11.123 -1.387 -3.679 1.00 0.26 O ATOM 465 CG2 THR A 43 8.830 -2.094 -3.933 1.00 0.25 C ATOM 0 H THR A 43 11.268 -2.035 -0.502 1.00 0.17 H new ATOM 0 HA THR A 43 9.312 -0.352 -1.949 1.00 0.17 H new ATOM 0 HB THR A 43 10.326 -3.086 -2.784 1.00 0.20 H new ATOM 0 HG1 THR A 43 11.332 -1.850 -4.517 1.00 0.26 H new ATOM 0 HG21 THR A 43 9.086 -2.614 -4.856 1.00 0.25 H new ATOM 0 HG22 THR A 43 8.013 -2.618 -3.436 1.00 0.25 H new ATOM 0 HG23 THR A 43 8.520 -1.075 -4.164 1.00 0.25 H new ATOM 473 N PHE A 44 7.441 -1.700 -0.947 1.00 0.14 N ATOM 474 CA PHE A 44 6.396 -2.333 -0.171 1.00 0.12 C ATOM 475 C PHE A 44 5.117 -2.403 -1.008 1.00 0.13 C ATOM 476 O PHE A 44 4.930 -1.592 -1.912 1.00 0.16 O ATOM 477 CB PHE A 44 6.186 -1.525 1.123 1.00 0.14 C ATOM 478 CG PHE A 44 4.756 -1.308 1.486 1.00 0.13 C ATOM 479 CD1 PHE A 44 4.012 -2.313 2.068 1.00 0.14 C ATOM 480 CD2 PHE A 44 4.154 -0.099 1.226 1.00 0.15 C ATOM 481 CE1 PHE A 44 2.689 -2.114 2.378 1.00 0.16 C ATOM 482 CE2 PHE A 44 2.833 0.106 1.537 1.00 0.17 C ATOM 483 CZ PHE A 44 2.100 -0.905 2.111 1.00 0.15 C ATOM 0 H PHE A 44 7.124 -0.920 -1.522 1.00 0.14 H new ATOM 0 HA PHE A 44 6.674 -3.352 0.099 1.00 0.12 H new ATOM 0 HB2 PHE A 44 6.683 -2.041 1.944 1.00 0.14 H new ATOM 0 HB3 PHE A 44 6.672 -0.556 1.015 1.00 0.14 H new ATOM 0 HD1 PHE A 44 4.474 -3.265 2.282 1.00 0.14 H new ATOM 0 HD2 PHE A 44 4.726 0.697 0.773 1.00 0.15 H new ATOM 0 HE1 PHE A 44 2.114 -2.908 2.831 1.00 0.16 H new ATOM 0 HE2 PHE A 44 2.370 1.060 1.331 1.00 0.17 H new ATOM 0 HZ PHE A 44 1.059 -0.747 2.352 1.00 0.15 H new ATOM 493 N GLY A 45 4.253 -3.372 -0.724 1.00 0.13 N ATOM 494 CA GLY A 45 3.001 -3.485 -1.448 1.00 0.17 C ATOM 495 C GLY A 45 1.806 -3.496 -0.514 1.00 0.15 C ATOM 496 O GLY A 45 1.839 -4.157 0.524 1.00 0.15 O ATOM 0 H GLY A 45 4.398 -4.081 -0.005 1.00 0.13 H new ATOM 0 HA2 GLY A 45 2.909 -2.653 -2.146 1.00 0.17 H new ATOM 0 HA3 GLY A 45 3.006 -4.399 -2.042 1.00 0.17 H new ATOM 500 N VAL A 46 0.735 -2.803 -0.892 1.00 0.15 N ATOM 501 CA VAL A 46 -0.428 -2.649 -0.018 1.00 0.15 C ATOM 502 C VAL A 46 -1.572 -3.502 -0.527 1.00 0.14 C ATOM 503 O VAL A 46 -1.650 -3.784 -1.719 1.00 0.19 O ATOM 504 CB VAL A 46 -0.960 -1.201 0.008 1.00 0.23 C ATOM 505 CG1 VAL A 46 -1.596 -0.886 1.351 1.00 0.80 C ATOM 506 CG2 VAL A 46 0.113 -0.193 -0.347 1.00 0.76 C ATOM 0 H VAL A 46 0.647 -2.339 -1.796 1.00 0.15 H new ATOM 0 HA VAL A 46 -0.097 -2.943 0.978 1.00 0.15 H new ATOM 0 HB VAL A 46 -1.730 -1.122 -0.760 1.00 0.23 H new ATOM 0 HG11 VAL A 46 -1.964 0.140 1.347 1.00 0.80 H new ATOM 0 HG12 VAL A 46 -2.426 -1.569 1.529 1.00 0.80 H new ATOM 0 HG13 VAL A 46 -0.854 -1.002 2.141 1.00 0.80 H new ATOM 0 HG21 VAL A 46 -0.307 0.812 -0.316 1.00 0.76 H new ATOM 0 HG22 VAL A 46 0.932 -0.266 0.369 1.00 0.76 H new ATOM 0 HG23 VAL A 46 0.488 -0.398 -1.350 1.00 0.76 H new ATOM 516 N ARG A 47 -2.466 -3.900 0.361 1.00 0.15 N ATOM 517 CA ARG A 47 -3.680 -4.576 -0.040 1.00 0.18 C ATOM 518 C ARG A 47 -4.803 -4.151 0.900 1.00 0.15 C ATOM 519 O ARG A 47 -4.565 -3.908 2.086 1.00 0.19 O ATOM 520 CB ARG A 47 -3.491 -6.103 -0.032 1.00 0.33 C ATOM 521 CG ARG A 47 -2.998 -6.669 1.290 1.00 0.66 C ATOM 522 CD ARG A 47 -2.755 -8.168 1.204 1.00 1.02 C ATOM 523 NE ARG A 47 -1.588 -8.496 0.387 1.00 1.43 N ATOM 524 CZ ARG A 47 -1.354 -9.705 -0.128 1.00 1.85 C ATOM 525 NH1 ARG A 47 -2.229 -10.688 0.051 1.00 1.99 N ATOM 526 NH2 ARG A 47 -0.244 -9.928 -0.817 1.00 2.62 N ATOM 0 H ARG A 47 -2.370 -3.764 1.367 1.00 0.15 H new ATOM 0 HA ARG A 47 -3.937 -4.296 -1.062 1.00 0.18 H new ATOM 0 HB2 ARG A 47 -4.440 -6.575 -0.284 1.00 0.33 H new ATOM 0 HB3 ARG A 47 -2.783 -6.373 -0.815 1.00 0.33 H new ATOM 0 HG2 ARG A 47 -2.075 -6.167 1.579 1.00 0.66 H new ATOM 0 HG3 ARG A 47 -3.731 -6.463 2.070 1.00 0.66 H new ATOM 0 HD2 ARG A 47 -2.617 -8.569 2.208 1.00 1.02 H new ATOM 0 HD3 ARG A 47 -3.637 -8.653 0.785 1.00 1.02 H new ATOM 0 HE ARG A 47 -0.912 -7.756 0.199 1.00 1.43 H new ATOM 0 HH11 ARG A 47 -3.083 -10.520 0.583 1.00 1.99 H new ATOM 0 HH12 ARG A 47 -2.047 -11.611 -0.344 1.00 1.99 H new ATOM 0 HH21 ARG A 47 0.431 -9.176 -0.954 1.00 2.62 H new ATOM 0 HH22 ARG A 47 -0.065 -10.852 -1.211 1.00 2.62 H new ATOM 540 N VAL A 48 -6.002 -4.020 0.361 1.00 0.13 N ATOM 541 CA VAL A 48 -7.163 -3.611 1.150 1.00 0.13 C ATOM 542 C VAL A 48 -8.271 -4.657 1.060 1.00 0.12 C ATOM 543 O VAL A 48 -8.361 -5.388 0.075 1.00 0.13 O ATOM 544 CB VAL A 48 -7.694 -2.241 0.675 1.00 0.15 C ATOM 545 CG1 VAL A 48 -8.953 -1.845 1.420 1.00 0.24 C ATOM 546 CG2 VAL A 48 -6.635 -1.171 0.855 1.00 0.22 C ATOM 0 H VAL A 48 -6.203 -4.191 -0.624 1.00 0.13 H new ATOM 0 HA VAL A 48 -6.847 -3.522 2.189 1.00 0.13 H new ATOM 0 HB VAL A 48 -7.938 -2.333 -0.383 1.00 0.15 H new ATOM 0 HG11 VAL A 48 -9.299 -0.876 1.060 1.00 0.24 H new ATOM 0 HG12 VAL A 48 -9.727 -2.593 1.249 1.00 0.24 H new ATOM 0 HG13 VAL A 48 -8.739 -1.781 2.487 1.00 0.24 H new ATOM 0 HG21 VAL A 48 -7.026 -0.212 0.515 1.00 0.22 H new ATOM 0 HG22 VAL A 48 -6.365 -1.100 1.909 1.00 0.22 H new ATOM 0 HG23 VAL A 48 -5.752 -1.431 0.271 1.00 0.22 H new ATOM 556 N ASN A 49 -9.107 -4.731 2.092 1.00 0.13 N ATOM 557 CA ASN A 49 -10.199 -5.693 2.126 1.00 0.15 C ATOM 558 C ASN A 49 -11.465 -5.062 1.563 1.00 0.16 C ATOM 559 O ASN A 49 -12.311 -4.557 2.295 1.00 0.18 O ATOM 560 CB ASN A 49 -10.436 -6.181 3.557 1.00 0.20 C ATOM 561 CG ASN A 49 -11.450 -7.313 3.634 1.00 0.66 C ATOM 562 OD1 ASN A 49 -12.645 -7.086 3.826 1.00 1.59 O ATOM 563 ND2 ASN A 49 -10.979 -8.543 3.497 1.00 1.21 N ATOM 0 H ASN A 49 -9.047 -4.134 2.917 1.00 0.13 H new ATOM 0 HA ASN A 49 -9.931 -6.552 1.511 1.00 0.15 H new ATOM 0 HB2 ASN A 49 -9.490 -6.517 3.983 1.00 0.20 H new ATOM 0 HB3 ASN A 49 -10.782 -5.347 4.168 1.00 0.20 H new ATOM 0 HD21 ASN A 49 -11.613 -9.341 3.549 1.00 1.21 H new ATOM 0 HD22 ASN A 49 -9.983 -8.693 3.339 1.00 1.21 H new ATOM 570 N THR A 50 -11.560 -5.092 0.251 1.00 0.17 N ATOM 571 CA THR A 50 -12.725 -4.545 -0.429 1.00 0.21 C ATOM 572 C THR A 50 -13.902 -5.487 -0.256 1.00 0.25 C ATOM 573 O THR A 50 -13.910 -6.581 -0.790 1.00 0.33 O ATOM 574 CB THR A 50 -12.474 -4.260 -1.925 1.00 0.27 C ATOM 575 OG1 THR A 50 -11.931 -5.414 -2.588 1.00 0.31 O ATOM 576 CG2 THR A 50 -11.535 -3.078 -2.093 1.00 0.29 C ATOM 0 H THR A 50 -10.851 -5.486 -0.368 1.00 0.17 H new ATOM 0 HA THR A 50 -12.947 -3.582 0.031 1.00 0.21 H new ATOM 0 HB THR A 50 -13.434 -4.019 -2.383 1.00 0.27 H new ATOM 0 HG1 THR A 50 -11.581 -6.040 -1.920 1.00 0.31 H new ATOM 0 HG21 THR A 50 -11.370 -2.892 -3.154 1.00 0.29 H new ATOM 0 HG22 THR A 50 -11.978 -2.194 -1.634 1.00 0.29 H new ATOM 0 HG23 THR A 50 -10.583 -3.299 -1.611 1.00 0.29 H new ATOM 584 N SER A 51 -14.873 -5.055 0.531 1.00 0.25 N ATOM 585 CA SER A 51 -16.004 -5.889 0.926 1.00 0.30 C ATOM 586 C SER A 51 -16.668 -6.596 -0.261 1.00 0.33 C ATOM 587 O SER A 51 -17.243 -7.674 -0.098 1.00 0.42 O ATOM 588 CB SER A 51 -17.033 -5.034 1.668 1.00 0.35 C ATOM 589 OG SER A 51 -18.029 -5.835 2.281 1.00 1.32 O ATOM 0 H SER A 51 -14.902 -4.112 0.918 1.00 0.25 H new ATOM 0 HA SER A 51 -15.617 -6.671 1.580 1.00 0.30 H new ATOM 0 HB2 SER A 51 -16.530 -4.434 2.426 1.00 0.35 H new ATOM 0 HB3 SER A 51 -17.501 -4.340 0.971 1.00 0.35 H new ATOM 0 HG SER A 51 -18.670 -5.259 2.748 1.00 1.32 H new ATOM 595 N ASP A 52 -16.583 -6.002 -1.444 1.00 0.33 N ATOM 596 CA ASP A 52 -17.230 -6.562 -2.623 1.00 0.41 C ATOM 597 C ASP A 52 -16.371 -7.629 -3.305 1.00 0.31 C ATOM 598 O ASP A 52 -16.896 -8.466 -4.039 1.00 0.37 O ATOM 599 CB ASP A 52 -17.557 -5.456 -3.629 1.00 0.64 C ATOM 600 CG ASP A 52 -16.335 -4.960 -4.380 1.00 0.82 C ATOM 601 OD1 ASP A 52 -15.406 -4.434 -3.730 1.00 0.85 O ATOM 602 OD2 ASP A 52 -16.295 -5.090 -5.619 1.00 1.30 O ATOM 0 H ASP A 52 -16.074 -5.135 -1.613 1.00 0.33 H new ATOM 0 HA ASP A 52 -18.149 -7.038 -2.282 1.00 0.41 H new ATOM 0 HB2 ASP A 52 -18.291 -5.828 -4.344 1.00 0.64 H new ATOM 0 HB3 ASP A 52 -18.019 -4.620 -3.104 1.00 0.64 H new ATOM 607 N ARG A 53 -15.063 -7.619 -3.064 1.00 0.28 N ATOM 608 CA ARG A 53 -14.156 -8.509 -3.784 1.00 0.28 C ATOM 609 C ARG A 53 -13.223 -9.241 -2.819 1.00 0.24 C ATOM 610 O ARG A 53 -13.009 -10.450 -2.932 1.00 0.29 O ATOM 611 CB ARG A 53 -13.322 -7.700 -4.778 1.00 0.42 C ATOM 612 CG ARG A 53 -12.604 -8.547 -5.815 1.00 1.14 C ATOM 613 CD ARG A 53 -13.471 -8.783 -7.044 1.00 1.45 C ATOM 614 NE ARG A 53 -14.708 -9.501 -6.732 1.00 2.15 N ATOM 615 CZ ARG A 53 -15.921 -9.104 -7.117 1.00 2.81 C ATOM 616 NH1 ARG A 53 -16.083 -7.943 -7.741 1.00 3.05 N ATOM 617 NH2 ARG A 53 -16.979 -9.857 -6.849 1.00 3.68 N ATOM 0 H ARG A 53 -14.610 -7.011 -2.382 1.00 0.28 H new ATOM 0 HA ARG A 53 -14.755 -9.248 -4.315 1.00 0.28 H new ATOM 0 HB2 ARG A 53 -13.973 -6.991 -5.290 1.00 0.42 H new ATOM 0 HB3 ARG A 53 -12.585 -7.116 -4.227 1.00 0.42 H new ATOM 0 HG2 ARG A 53 -11.679 -8.053 -6.111 1.00 1.14 H new ATOM 0 HG3 ARG A 53 -12.327 -9.505 -5.375 1.00 1.14 H new ATOM 0 HD2 ARG A 53 -13.717 -7.824 -7.500 1.00 1.45 H new ATOM 0 HD3 ARG A 53 -12.903 -9.350 -7.781 1.00 1.45 H new ATOM 0 HE ARG A 53 -14.637 -10.359 -6.185 1.00 2.15 H new ATOM 0 HH11 ARG A 53 -15.276 -7.348 -7.929 1.00 3.05 H new ATOM 0 HH12 ARG A 53 -17.014 -7.646 -8.032 1.00 3.05 H new ATOM 0 HH21 ARG A 53 -16.864 -10.739 -6.349 1.00 3.68 H new ATOM 0 HH22 ARG A 53 -17.908 -9.555 -7.143 1.00 3.68 H new ATOM 631 N GLY A 54 -12.677 -8.497 -1.872 1.00 0.18 N ATOM 632 CA GLY A 54 -11.756 -9.047 -0.906 1.00 0.19 C ATOM 633 C GLY A 54 -10.427 -8.333 -0.928 1.00 0.17 C ATOM 634 O GLY A 54 -10.367 -7.144 -1.249 1.00 0.17 O ATOM 0 H GLY A 54 -12.862 -7.501 -1.756 1.00 0.18 H new ATOM 0 HA2 GLY A 54 -12.190 -8.976 0.091 1.00 0.19 H new ATOM 0 HA3 GLY A 54 -11.603 -10.106 -1.112 1.00 0.19 H new ATOM 638 N TRP A 55 -9.378 -9.045 -0.557 1.00 0.18 N ATOM 639 CA TRP A 55 -8.027 -8.517 -0.661 1.00 0.18 C ATOM 640 C TRP A 55 -7.747 -8.029 -2.083 1.00 0.19 C ATOM 641 O TRP A 55 -7.835 -8.791 -3.048 1.00 0.24 O ATOM 642 CB TRP A 55 -6.996 -9.572 -0.256 1.00 0.24 C ATOM 643 CG TRP A 55 -6.695 -9.612 1.217 1.00 0.26 C ATOM 644 CD1 TRP A 55 -6.662 -10.715 2.021 1.00 0.35 C ATOM 645 CD2 TRP A 55 -6.373 -8.499 2.061 1.00 0.24 C ATOM 646 NE1 TRP A 55 -6.321 -10.355 3.303 1.00 0.39 N ATOM 647 CE2 TRP A 55 -6.142 -9.001 3.352 1.00 0.32 C ATOM 648 CE3 TRP A 55 -6.253 -7.130 1.848 1.00 0.18 C ATOM 649 CZ2 TRP A 55 -5.794 -8.176 4.420 1.00 0.34 C ATOM 650 CZ3 TRP A 55 -5.910 -6.316 2.910 1.00 0.19 C ATOM 651 CH2 TRP A 55 -5.682 -6.839 4.178 1.00 0.27 C ATOM 0 H TRP A 55 -9.434 -9.991 -0.181 1.00 0.18 H new ATOM 0 HA TRP A 55 -7.944 -7.672 0.023 1.00 0.18 H new ATOM 0 HB2 TRP A 55 -7.356 -10.553 -0.568 1.00 0.24 H new ATOM 0 HB3 TRP A 55 -6.070 -9.385 -0.799 1.00 0.24 H new ATOM 0 HD1 TRP A 55 -6.873 -11.723 1.697 1.00 0.35 H new ATOM 0 HE1 TRP A 55 -6.218 -10.995 4.091 1.00 0.39 H new ATOM 0 HE3 TRP A 55 -6.425 -6.710 0.868 1.00 0.18 H new ATOM 0 HZ2 TRP A 55 -5.619 -8.582 5.405 1.00 0.34 H new ATOM 0 HZ3 TRP A 55 -5.817 -5.252 2.752 1.00 0.19 H new ATOM 0 HH2 TRP A 55 -5.411 -6.175 4.985 1.00 0.27 H new ATOM 662 N THR A 56 -7.439 -6.746 -2.197 1.00 0.18 N ATOM 663 CA THR A 56 -7.161 -6.124 -3.483 1.00 0.22 C ATOM 664 C THR A 56 -5.851 -6.621 -4.071 1.00 0.26 C ATOM 665 O THR A 56 -5.080 -7.316 -3.404 1.00 0.36 O ATOM 666 CB THR A 56 -7.083 -4.593 -3.357 1.00 0.22 C ATOM 667 OG1 THR A 56 -6.112 -4.229 -2.366 1.00 0.22 O ATOM 668 CG2 THR A 56 -8.431 -4.007 -2.989 1.00 0.24 C ATOM 0 H THR A 56 -7.375 -6.108 -1.404 1.00 0.18 H new ATOM 0 HA THR A 56 -7.984 -6.399 -4.143 1.00 0.22 H new ATOM 0 HB THR A 56 -6.784 -4.190 -4.325 1.00 0.22 H new ATOM 0 HG1 THR A 56 -6.068 -3.253 -2.294 1.00 0.22 H new ATOM 0 HG21 THR A 56 -8.346 -2.923 -2.907 1.00 0.24 H new ATOM 0 HG22 THR A 56 -9.159 -4.257 -3.761 1.00 0.24 H new ATOM 0 HG23 THR A 56 -8.758 -4.419 -2.034 1.00 0.24 H new ATOM 676 N ASP A 57 -5.607 -6.265 -5.324 1.00 0.30 N ATOM 677 CA ASP A 57 -4.324 -6.530 -5.947 1.00 0.34 C ATOM 678 C ASP A 57 -3.261 -5.748 -5.206 1.00 0.23 C ATOM 679 O ASP A 57 -3.389 -4.533 -5.027 1.00 0.35 O ATOM 680 CB ASP A 57 -4.323 -6.118 -7.421 1.00 0.49 C ATOM 681 CG ASP A 57 -5.384 -6.827 -8.235 1.00 0.93 C ATOM 682 OD1 ASP A 57 -5.148 -7.979 -8.656 1.00 1.84 O ATOM 683 OD2 ASP A 57 -6.456 -6.229 -8.470 1.00 0.98 O ATOM 0 H ASP A 57 -6.281 -5.793 -5.926 1.00 0.30 H new ATOM 0 HA ASP A 57 -4.124 -7.600 -5.898 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -4.478 -5.041 -7.492 1.00 0.49 H new ATOM 0 HB3 ASP A 57 -3.343 -6.328 -7.850 1.00 0.49 H new ATOM 688 N GLU A 58 -2.236 -6.443 -4.753 1.00 0.27 N ATOM 689 CA GLU A 58 -1.201 -5.824 -3.955 1.00 0.27 C ATOM 690 C GLU A 58 -0.498 -4.734 -4.742 1.00 0.23 C ATOM 691 O GLU A 58 0.105 -4.979 -5.787 1.00 0.28 O ATOM 692 CB GLU A 58 -0.209 -6.864 -3.451 1.00 0.42 C ATOM 693 CG GLU A 58 0.885 -6.293 -2.567 1.00 0.44 C ATOM 694 CD GLU A 58 1.752 -7.366 -1.949 1.00 0.67 C ATOM 695 OE1 GLU A 58 1.416 -7.855 -0.852 1.00 1.00 O ATOM 696 OE2 GLU A 58 2.779 -7.725 -2.559 1.00 0.83 O ATOM 0 H GLU A 58 -2.099 -7.439 -4.926 1.00 0.27 H new ATOM 0 HA GLU A 58 -1.670 -5.363 -3.086 1.00 0.27 H new ATOM 0 HB2 GLU A 58 -0.751 -7.628 -2.894 1.00 0.42 H new ATOM 0 HB3 GLU A 58 0.250 -7.359 -4.307 1.00 0.42 H new ATOM 0 HG2 GLU A 58 1.509 -5.621 -3.156 1.00 0.44 H new ATOM 0 HG3 GLU A 58 0.433 -5.696 -1.775 1.00 0.44 H new ATOM 703 N CYS A 59 -0.602 -3.529 -4.228 1.00 0.19 N ATOM 704 CA CYS A 59 -0.070 -2.355 -4.895 1.00 0.20 C ATOM 705 C CYS A 59 1.349 -2.077 -4.431 1.00 0.17 C ATOM 706 O CYS A 59 1.562 -1.498 -3.366 1.00 0.17 O ATOM 707 CB CYS A 59 -0.961 -1.147 -4.612 1.00 0.27 C ATOM 708 SG CYS A 59 -2.701 -1.409 -5.026 1.00 0.36 S ATOM 0 H CYS A 59 -1.057 -3.332 -3.337 1.00 0.19 H new ATOM 0 HA CYS A 59 -0.053 -2.541 -5.969 1.00 0.20 H new ATOM 0 HB2 CYS A 59 -0.884 -0.890 -3.556 1.00 0.27 H new ATOM 0 HB3 CYS A 59 -0.588 -0.292 -5.176 1.00 0.27 H new ATOM 0 HG CYS A 59 -2.955 -2.684 -5.044 1.00 0.36 H new ATOM 714 N ILE A 60 2.313 -2.517 -5.222 1.00 0.18 N ATOM 715 CA ILE A 60 3.713 -2.289 -4.924 1.00 0.16 C ATOM 716 C ILE A 60 4.084 -0.842 -5.207 1.00 0.16 C ATOM 717 O ILE A 60 3.875 -0.334 -6.313 1.00 0.18 O ATOM 718 CB ILE A 60 4.618 -3.247 -5.742 1.00 0.21 C ATOM 719 CG1 ILE A 60 4.667 -4.636 -5.098 1.00 0.44 C ATOM 720 CG2 ILE A 60 6.024 -2.691 -5.882 1.00 0.27 C ATOM 721 CD1 ILE A 60 3.320 -5.295 -4.944 1.00 0.74 C ATOM 0 H ILE A 60 2.147 -3.039 -6.083 1.00 0.18 H new ATOM 0 HA ILE A 60 3.872 -2.493 -3.865 1.00 0.16 H new ATOM 0 HB ILE A 60 4.182 -3.337 -6.737 1.00 0.21 H new ATOM 0 HG12 ILE A 60 5.307 -5.281 -5.700 1.00 0.44 H new ATOM 0 HG13 ILE A 60 5.132 -4.552 -4.116 1.00 0.44 H new ATOM 0 HG21 ILE A 60 6.634 -3.385 -6.460 1.00 0.27 H new ATOM 0 HG22 ILE A 60 5.986 -1.729 -6.393 1.00 0.27 H new ATOM 0 HG23 ILE A 60 6.463 -2.559 -4.893 1.00 0.27 H new ATOM 0 HD11 ILE A 60 3.445 -6.274 -4.480 1.00 0.74 H new ATOM 0 HD12 ILE A 60 2.681 -4.674 -4.316 1.00 0.74 H new ATOM 0 HD13 ILE A 60 2.859 -5.414 -5.925 1.00 0.74 H new ATOM 733 N GLY A 61 4.618 -0.191 -4.189 1.00 0.16 N ATOM 734 CA GLY A 61 5.013 1.194 -4.302 1.00 0.20 C ATOM 735 C GLY A 61 6.409 1.363 -4.859 1.00 0.21 C ATOM 736 O GLY A 61 7.012 0.411 -5.357 1.00 0.23 O ATOM 0 H GLY A 61 4.787 -0.605 -3.272 1.00 0.16 H new ATOM 0 HA2 GLY A 61 4.305 1.718 -4.944 1.00 0.20 H new ATOM 0 HA3 GLY A 61 4.960 1.663 -3.320 1.00 0.20 H new ATOM 740 N GLU A 62 6.927 2.570 -4.754 1.00 0.27 N ATOM 741 CA GLU A 62 8.208 2.914 -5.344 1.00 0.31 C ATOM 742 C GLU A 62 9.348 2.651 -4.367 1.00 0.25 C ATOM 743 O GLU A 62 9.162 2.729 -3.154 1.00 0.29 O ATOM 744 CB GLU A 62 8.189 4.385 -5.752 1.00 0.47 C ATOM 745 CG GLU A 62 7.084 4.711 -6.743 1.00 0.79 C ATOM 746 CD GLU A 62 7.042 6.175 -7.116 1.00 1.07 C ATOM 747 OE1 GLU A 62 7.894 6.613 -7.919 1.00 1.37 O ATOM 748 OE2 GLU A 62 6.143 6.891 -6.631 1.00 1.32 O ATOM 0 H GLU A 62 6.475 3.339 -4.259 1.00 0.27 H new ATOM 0 HA GLU A 62 8.373 2.290 -6.222 1.00 0.31 H new ATOM 0 HB2 GLU A 62 8.065 5.002 -4.862 1.00 0.47 H new ATOM 0 HB3 GLU A 62 9.152 4.647 -6.190 1.00 0.47 H new ATOM 0 HG2 GLU A 62 7.224 4.115 -7.645 1.00 0.79 H new ATOM 0 HG3 GLU A 62 6.123 4.422 -6.316 1.00 0.79 H new ATOM 755 N PRO A 63 10.533 2.292 -4.889 1.00 0.24 N ATOM 756 CA PRO A 63 11.748 2.155 -4.081 1.00 0.24 C ATOM 757 C PRO A 63 12.120 3.471 -3.409 1.00 0.21 C ATOM 758 O PRO A 63 12.596 4.401 -4.062 1.00 0.24 O ATOM 759 CB PRO A 63 12.824 1.754 -5.096 1.00 0.32 C ATOM 760 CG PRO A 63 12.077 1.227 -6.272 1.00 0.51 C ATOM 761 CD PRO A 63 10.774 1.972 -6.305 1.00 0.30 C ATOM 0 HA PRO A 63 11.626 1.430 -3.276 1.00 0.24 H new ATOM 0 HB2 PRO A 63 13.442 2.608 -5.373 1.00 0.32 H new ATOM 0 HB3 PRO A 63 13.492 0.998 -4.683 1.00 0.32 H new ATOM 0 HG2 PRO A 63 12.639 1.384 -7.193 1.00 0.51 H new ATOM 0 HG3 PRO A 63 11.910 0.154 -6.179 1.00 0.51 H new ATOM 0 HD2 PRO A 63 10.841 2.873 -6.916 1.00 0.30 H new ATOM 0 HD3 PRO A 63 9.972 1.363 -6.722 1.00 0.30 H new ATOM 769 N MET A 64 11.901 3.541 -2.107 1.00 0.19 N ATOM 770 CA MET A 64 12.083 4.775 -1.360 1.00 0.20 C ATOM 771 C MET A 64 13.215 4.625 -0.356 1.00 0.21 C ATOM 772 O MET A 64 13.385 3.563 0.235 1.00 0.26 O ATOM 773 CB MET A 64 10.789 5.137 -0.637 1.00 0.24 C ATOM 774 CG MET A 64 9.620 5.360 -1.580 1.00 0.32 C ATOM 775 SD MET A 64 9.897 6.719 -2.730 1.00 0.62 S ATOM 776 CE MET A 64 9.868 8.109 -1.603 1.00 0.67 C ATOM 0 H MET A 64 11.594 2.750 -1.541 1.00 0.19 H new ATOM 0 HA MET A 64 12.340 5.573 -2.057 1.00 0.20 H new ATOM 0 HB2 MET A 64 10.536 4.341 0.063 1.00 0.24 H new ATOM 0 HB3 MET A 64 10.950 6.040 -0.048 1.00 0.24 H new ATOM 0 HG2 MET A 64 9.435 4.446 -2.144 1.00 0.32 H new ATOM 0 HG3 MET A 64 8.722 5.562 -0.996 1.00 0.32 H new ATOM 0 HE1 MET A 64 10.199 9.007 -2.124 1.00 0.67 H new ATOM 0 HE2 MET A 64 8.853 8.257 -1.234 1.00 0.67 H new ATOM 0 HE3 MET A 64 10.534 7.910 -0.763 1.00 0.67 H new ATOM 786 N PRO A 65 14.002 5.689 -0.142 1.00 0.23 N ATOM 787 CA PRO A 65 15.157 5.653 0.764 1.00 0.26 C ATOM 788 C PRO A 65 14.767 5.679 2.244 1.00 0.25 C ATOM 789 O PRO A 65 15.633 5.720 3.121 1.00 0.27 O ATOM 790 CB PRO A 65 15.928 6.920 0.391 1.00 0.31 C ATOM 791 CG PRO A 65 14.887 7.861 -0.108 1.00 0.32 C ATOM 792 CD PRO A 65 13.842 7.011 -0.779 1.00 0.29 C ATOM 0 HA PRO A 65 15.727 4.731 0.652 1.00 0.26 H new ATOM 0 HB2 PRO A 65 16.454 7.332 1.252 1.00 0.31 H new ATOM 0 HB3 PRO A 65 16.678 6.717 -0.374 1.00 0.31 H new ATOM 0 HG2 PRO A 65 14.455 8.434 0.712 1.00 0.32 H new ATOM 0 HG3 PRO A 65 15.314 8.579 -0.808 1.00 0.32 H new ATOM 0 HD2 PRO A 65 12.840 7.411 -0.624 1.00 0.29 H new ATOM 0 HD3 PRO A 65 14.000 6.958 -1.856 1.00 0.29 H new ATOM 800 N SER A 66 13.469 5.649 2.521 1.00 0.23 N ATOM 801 CA SER A 66 12.973 5.642 3.886 1.00 0.24 C ATOM 802 C SER A 66 11.731 4.760 3.972 1.00 0.22 C ATOM 803 O SER A 66 10.887 4.769 3.073 1.00 0.20 O ATOM 804 CB SER A 66 12.645 7.072 4.323 1.00 0.29 C ATOM 805 OG SER A 66 11.957 7.088 5.560 1.00 1.30 O ATOM 0 H SER A 66 12.738 5.629 1.810 1.00 0.23 H new ATOM 0 HA SER A 66 13.737 5.240 4.551 1.00 0.24 H new ATOM 0 HB2 SER A 66 13.566 7.648 4.410 1.00 0.29 H new ATOM 0 HB3 SER A 66 12.036 7.557 3.560 1.00 0.29 H new ATOM 0 HG SER A 66 11.763 8.014 5.814 1.00 1.30 H new ATOM 811 N VAL A 67 11.635 3.999 5.062 1.00 0.25 N ATOM 812 CA VAL A 67 10.548 3.042 5.252 1.00 0.26 C ATOM 813 C VAL A 67 9.200 3.743 5.359 1.00 0.25 C ATOM 814 O VAL A 67 8.178 3.202 4.939 1.00 0.29 O ATOM 815 CB VAL A 67 10.765 2.166 6.506 1.00 0.37 C ATOM 816 CG1 VAL A 67 11.916 1.196 6.293 1.00 1.14 C ATOM 817 CG2 VAL A 67 11.016 3.027 7.737 1.00 1.08 C ATOM 0 H VAL A 67 12.303 4.028 5.832 1.00 0.25 H new ATOM 0 HA VAL A 67 10.548 2.400 4.371 1.00 0.26 H new ATOM 0 HB VAL A 67 9.855 1.590 6.673 1.00 0.37 H new ATOM 0 HG11 VAL A 67 12.051 0.589 7.188 1.00 1.14 H new ATOM 0 HG12 VAL A 67 11.693 0.548 5.446 1.00 1.14 H new ATOM 0 HG13 VAL A 67 12.830 1.755 6.092 1.00 1.14 H new ATOM 0 HG21 VAL A 67 11.165 2.385 8.605 1.00 1.08 H new ATOM 0 HG22 VAL A 67 11.905 3.637 7.579 1.00 1.08 H new ATOM 0 HG23 VAL A 67 10.157 3.676 7.909 1.00 1.08 H new ATOM 827 N LYS A 68 9.199 4.942 5.929 1.00 0.29 N ATOM 828 CA LYS A 68 8.001 5.732 6.035 1.00 0.32 C ATOM 829 C LYS A 68 7.489 6.115 4.653 1.00 0.30 C ATOM 830 O LYS A 68 6.292 6.040 4.379 1.00 0.33 O ATOM 831 CB LYS A 68 8.297 6.986 6.847 1.00 0.41 C ATOM 832 CG LYS A 68 7.049 7.667 7.335 1.00 1.12 C ATOM 833 CD LYS A 68 7.363 8.850 8.234 1.00 1.56 C ATOM 834 CE LYS A 68 6.101 9.604 8.622 1.00 2.37 C ATOM 835 NZ LYS A 68 5.106 8.727 9.297 1.00 2.82 N ATOM 0 H LYS A 68 10.029 5.383 6.326 1.00 0.29 H new ATOM 0 HA LYS A 68 7.230 5.145 6.535 1.00 0.32 H new ATOM 0 HB2 LYS A 68 8.920 6.722 7.701 1.00 0.41 H new ATOM 0 HB3 LYS A 68 8.871 7.683 6.236 1.00 0.41 H new ATOM 0 HG2 LYS A 68 6.463 8.006 6.481 1.00 1.12 H new ATOM 0 HG3 LYS A 68 6.434 6.951 7.880 1.00 1.12 H new ATOM 0 HD2 LYS A 68 7.871 8.501 9.133 1.00 1.56 H new ATOM 0 HD3 LYS A 68 8.049 9.525 7.723 1.00 1.56 H new ATOM 0 HE2 LYS A 68 6.362 10.430 9.284 1.00 2.37 H new ATOM 0 HE3 LYS A 68 5.652 10.040 7.730 1.00 2.37 H new ATOM 0 HZ1 LYS A 68 4.350 9.311 9.707 1.00 2.82 H new ATOM 0 HZ2 LYS A 68 4.697 8.068 8.604 1.00 2.82 H new ATOM 0 HZ3 LYS A 68 5.575 8.187 10.052 1.00 2.82 H new ATOM 849 N LYS A 69 8.413 6.494 3.773 1.00 0.29 N ATOM 850 CA LYS A 69 8.063 6.944 2.436 1.00 0.32 C ATOM 851 C LYS A 69 7.663 5.758 1.574 1.00 0.24 C ATOM 852 O LYS A 69 6.925 5.903 0.601 1.00 0.24 O ATOM 853 CB LYS A 69 9.241 7.682 1.798 1.00 0.47 C ATOM 854 CG LYS A 69 9.817 8.767 2.688 1.00 0.57 C ATOM 855 CD LYS A 69 10.919 9.558 2.000 1.00 0.45 C ATOM 856 CE LYS A 69 10.360 10.473 0.921 1.00 0.90 C ATOM 857 NZ LYS A 69 11.374 11.442 0.431 1.00 1.36 N ATOM 0 H LYS A 69 9.414 6.497 3.967 1.00 0.29 H new ATOM 0 HA LYS A 69 7.219 7.630 2.509 1.00 0.32 H new ATOM 0 HB2 LYS A 69 10.025 6.964 1.558 1.00 0.47 H new ATOM 0 HB3 LYS A 69 8.917 8.127 0.857 1.00 0.47 H new ATOM 0 HG2 LYS A 69 9.020 9.447 2.990 1.00 0.57 H new ATOM 0 HG3 LYS A 69 10.212 8.315 3.598 1.00 0.57 H new ATOM 0 HD2 LYS A 69 11.457 10.152 2.739 1.00 0.45 H new ATOM 0 HD3 LYS A 69 11.640 8.870 1.558 1.00 0.45 H new ATOM 0 HE2 LYS A 69 10.001 9.871 0.086 1.00 0.90 H new ATOM 0 HE3 LYS A 69 9.501 11.016 1.316 1.00 0.90 H new ATOM 0 HZ1 LYS A 69 10.951 12.046 -0.303 1.00 1.36 H new ATOM 0 HZ2 LYS A 69 11.699 12.034 1.222 1.00 1.36 H new ATOM 0 HZ3 LYS A 69 12.183 10.925 0.031 1.00 1.36 H new ATOM 871 N ALA A 70 8.168 4.584 1.936 1.00 0.21 N ATOM 872 CA ALA A 70 7.814 3.353 1.246 1.00 0.19 C ATOM 873 C ALA A 70 6.314 3.106 1.322 1.00 0.16 C ATOM 874 O ALA A 70 5.640 3.022 0.296 1.00 0.17 O ATOM 875 CB ALA A 70 8.581 2.174 1.827 1.00 0.21 C ATOM 0 H ALA A 70 8.826 4.461 2.706 1.00 0.21 H new ATOM 0 HA ALA A 70 8.090 3.458 0.197 1.00 0.19 H new ATOM 0 HB1 ALA A 70 8.303 1.263 1.298 1.00 0.21 H new ATOM 0 HB2 ALA A 70 9.652 2.346 1.715 1.00 0.21 H new ATOM 0 HB3 ALA A 70 8.339 2.068 2.884 1.00 0.21 H new ATOM 881 N LYS A 71 5.787 2.986 2.541 1.00 0.15 N ATOM 882 CA LYS A 71 4.361 2.774 2.735 1.00 0.17 C ATOM 883 C LYS A 71 3.556 3.950 2.188 1.00 0.16 C ATOM 884 O LYS A 71 2.527 3.755 1.541 1.00 0.17 O ATOM 885 CB LYS A 71 4.053 2.512 4.212 1.00 0.29 C ATOM 886 CG LYS A 71 3.958 3.756 5.056 1.00 0.92 C ATOM 887 CD LYS A 71 3.494 3.435 6.469 1.00 1.29 C ATOM 888 CE LYS A 71 3.401 4.688 7.322 1.00 1.99 C ATOM 889 NZ LYS A 71 2.950 4.391 8.708 1.00 2.42 N ATOM 0 H LYS A 71 6.329 3.033 3.404 1.00 0.15 H new ATOM 0 HA LYS A 71 4.062 1.889 2.173 1.00 0.17 H new ATOM 0 HB2 LYS A 71 3.112 1.966 4.283 1.00 0.29 H new ATOM 0 HB3 LYS A 71 4.829 1.866 4.624 1.00 0.29 H new ATOM 0 HG2 LYS A 71 4.930 4.247 5.094 1.00 0.92 H new ATOM 0 HG3 LYS A 71 3.264 4.458 4.594 1.00 0.92 H new ATOM 0 HD2 LYS A 71 2.521 2.946 6.431 1.00 1.29 H new ATOM 0 HD3 LYS A 71 4.187 2.731 6.929 1.00 1.29 H new ATOM 0 HE2 LYS A 71 4.375 5.176 7.355 1.00 1.99 H new ATOM 0 HE3 LYS A 71 2.708 5.390 6.859 1.00 1.99 H new ATOM 0 HZ1 LYS A 71 2.901 5.275 9.254 1.00 2.42 H new ATOM 0 HZ2 LYS A 71 2.009 3.949 8.680 1.00 2.42 H new ATOM 0 HZ3 LYS A 71 3.624 3.741 9.161 1.00 2.42 H new ATOM 903 N ASP A 72 4.027 5.161 2.457 1.00 0.19 N ATOM 904 CA ASP A 72 3.408 6.372 1.913 1.00 0.24 C ATOM 905 C ASP A 72 3.236 6.321 0.395 1.00 0.22 C ATOM 906 O ASP A 72 2.143 6.579 -0.110 1.00 0.23 O ATOM 907 CB ASP A 72 4.207 7.622 2.292 1.00 0.32 C ATOM 908 CG ASP A 72 3.660 8.312 3.527 1.00 1.06 C ATOM 909 OD1 ASP A 72 2.440 8.575 3.583 1.00 0.99 O ATOM 910 OD2 ASP A 72 4.449 8.579 4.460 1.00 2.01 O ATOM 0 H ASP A 72 4.838 5.335 3.050 1.00 0.19 H new ATOM 0 HA ASP A 72 2.415 6.424 2.360 1.00 0.24 H new ATOM 0 HB2 ASP A 72 5.247 7.345 2.466 1.00 0.32 H new ATOM 0 HB3 ASP A 72 4.199 8.321 1.456 1.00 0.32 H new ATOM 915 N SER A 73 4.301 5.996 -0.330 1.00 0.21 N ATOM 916 CA SER A 73 4.261 6.023 -1.792 1.00 0.24 C ATOM 917 C SER A 73 3.319 4.959 -2.356 1.00 0.20 C ATOM 918 O SER A 73 2.595 5.212 -3.322 1.00 0.24 O ATOM 919 CB SER A 73 5.669 5.855 -2.373 1.00 0.30 C ATOM 920 OG SER A 73 6.294 4.684 -1.877 1.00 1.14 O ATOM 0 H SER A 73 5.198 5.712 0.065 1.00 0.21 H new ATOM 0 HA SER A 73 3.871 6.997 -2.089 1.00 0.24 H new ATOM 0 HB2 SER A 73 5.613 5.807 -3.460 1.00 0.30 H new ATOM 0 HB3 SER A 73 6.274 6.726 -2.123 1.00 0.30 H new ATOM 0 HG SER A 73 6.654 4.859 -0.982 1.00 1.14 H new ATOM 926 N ALA A 74 3.321 3.779 -1.752 1.00 0.16 N ATOM 927 CA ALA A 74 2.449 2.702 -2.202 1.00 0.17 C ATOM 928 C ALA A 74 0.989 3.045 -1.921 1.00 0.16 C ATOM 929 O ALA A 74 0.108 2.813 -2.748 1.00 0.17 O ATOM 930 CB ALA A 74 2.825 1.400 -1.525 1.00 0.18 C ATOM 0 H ALA A 74 3.912 3.543 -0.955 1.00 0.16 H new ATOM 0 HA ALA A 74 2.575 2.582 -3.278 1.00 0.17 H new ATOM 0 HB1 ALA A 74 2.164 0.606 -1.872 1.00 0.18 H new ATOM 0 HB2 ALA A 74 3.857 1.147 -1.770 1.00 0.18 H new ATOM 0 HB3 ALA A 74 2.725 1.509 -0.445 1.00 0.18 H new ATOM 936 N ALA A 75 0.755 3.599 -0.734 1.00 0.18 N ATOM 937 CA ALA A 75 -0.567 4.069 -0.330 1.00 0.21 C ATOM 938 C ALA A 75 -1.148 5.040 -1.357 1.00 0.21 C ATOM 939 O ALA A 75 -2.347 5.027 -1.612 1.00 0.24 O ATOM 940 CB ALA A 75 -0.501 4.729 1.037 1.00 0.26 C ATOM 0 H ALA A 75 1.476 3.735 -0.026 1.00 0.18 H new ATOM 0 HA ALA A 75 -1.226 3.203 -0.273 1.00 0.21 H new ATOM 0 HB1 ALA A 75 -1.495 5.074 1.323 1.00 0.26 H new ATOM 0 HB2 ALA A 75 -0.141 4.009 1.772 1.00 0.26 H new ATOM 0 HB3 ALA A 75 0.180 5.579 0.998 1.00 0.26 H new ATOM 946 N VAL A 76 -0.297 5.872 -1.967 1.00 0.21 N ATOM 947 CA VAL A 76 -0.743 6.834 -2.975 1.00 0.25 C ATOM 948 C VAL A 76 -1.339 6.110 -4.183 1.00 0.20 C ATOM 949 O VAL A 76 -2.332 6.553 -4.762 1.00 0.21 O ATOM 950 CB VAL A 76 0.421 7.741 -3.438 1.00 0.36 C ATOM 951 CG1 VAL A 76 -0.025 8.687 -4.541 1.00 0.77 C ATOM 952 CG2 VAL A 76 0.983 8.528 -2.265 1.00 0.83 C ATOM 0 H VAL A 76 0.705 5.897 -1.778 1.00 0.21 H new ATOM 0 HA VAL A 76 -1.509 7.459 -2.516 1.00 0.25 H new ATOM 0 HB VAL A 76 1.205 7.099 -3.839 1.00 0.36 H new ATOM 0 HG11 VAL A 76 0.814 9.312 -4.846 1.00 0.77 H new ATOM 0 HG12 VAL A 76 -0.377 8.109 -5.396 1.00 0.77 H new ATOM 0 HG13 VAL A 76 -0.833 9.319 -4.173 1.00 0.77 H new ATOM 0 HG21 VAL A 76 1.801 9.161 -2.610 1.00 0.83 H new ATOM 0 HG22 VAL A 76 0.199 9.151 -1.836 1.00 0.83 H new ATOM 0 HG23 VAL A 76 1.353 7.837 -1.507 1.00 0.83 H new ATOM 962 N LEU A 77 -0.745 4.976 -4.533 1.00 0.19 N ATOM 963 CA LEU A 77 -1.223 4.175 -5.648 1.00 0.21 C ATOM 964 C LEU A 77 -2.491 3.438 -5.239 1.00 0.22 C ATOM 965 O LEU A 77 -3.393 3.208 -6.046 1.00 0.28 O ATOM 966 CB LEU A 77 -0.150 3.171 -6.070 1.00 0.26 C ATOM 967 CG LEU A 77 1.192 3.781 -6.482 1.00 0.32 C ATOM 968 CD1 LEU A 77 2.192 2.689 -6.829 1.00 0.39 C ATOM 969 CD2 LEU A 77 1.010 4.729 -7.657 1.00 0.39 C ATOM 0 H LEU A 77 0.071 4.591 -4.058 1.00 0.19 H new ATOM 0 HA LEU A 77 -1.443 4.830 -6.491 1.00 0.21 H new ATOM 0 HB2 LEU A 77 0.022 2.480 -5.245 1.00 0.26 H new ATOM 0 HB3 LEU A 77 -0.534 2.583 -6.903 1.00 0.26 H new ATOM 0 HG LEU A 77 1.583 4.350 -5.638 1.00 0.32 H new ATOM 0 HD11 LEU A 77 3.140 3.142 -7.119 1.00 0.39 H new ATOM 0 HD12 LEU A 77 2.347 2.048 -5.961 1.00 0.39 H new ATOM 0 HD13 LEU A 77 1.807 2.092 -7.656 1.00 0.39 H new ATOM 0 HD21 LEU A 77 1.975 5.153 -7.935 1.00 0.39 H new ATOM 0 HD22 LEU A 77 0.595 4.183 -8.504 1.00 0.39 H new ATOM 0 HD23 LEU A 77 0.329 5.532 -7.375 1.00 0.39 H new ATOM 981 N LEU A 78 -2.540 3.082 -3.968 1.00 0.22 N ATOM 982 CA LEU A 78 -3.685 2.407 -3.383 1.00 0.27 C ATOM 983 C LEU A 78 -4.917 3.306 -3.406 1.00 0.27 C ATOM 984 O LEU A 78 -6.035 2.850 -3.643 1.00 0.29 O ATOM 985 CB LEU A 78 -3.349 2.035 -1.949 1.00 0.36 C ATOM 986 CG LEU A 78 -4.421 1.260 -1.206 1.00 0.35 C ATOM 987 CD1 LEU A 78 -4.433 -0.195 -1.655 1.00 0.77 C ATOM 988 CD2 LEU A 78 -4.192 1.391 0.291 1.00 0.81 C ATOM 0 H LEU A 78 -1.781 3.254 -3.308 1.00 0.22 H new ATOM 0 HA LEU A 78 -3.908 1.512 -3.964 1.00 0.27 H new ATOM 0 HB2 LEU A 78 -2.433 1.444 -1.951 1.00 0.36 H new ATOM 0 HB3 LEU A 78 -3.137 2.950 -1.395 1.00 0.36 H new ATOM 0 HG LEU A 78 -5.402 1.674 -1.437 1.00 0.35 H new ATOM 0 HD11 LEU A 78 -5.208 -0.737 -1.112 1.00 0.77 H new ATOM 0 HD12 LEU A 78 -4.637 -0.244 -2.725 1.00 0.77 H new ATOM 0 HD13 LEU A 78 -3.463 -0.647 -1.450 1.00 0.77 H new ATOM 0 HD21 LEU A 78 -4.961 0.835 0.827 1.00 0.81 H new ATOM 0 HD22 LEU A 78 -3.211 0.990 0.545 1.00 0.81 H new ATOM 0 HD23 LEU A 78 -4.240 2.442 0.576 1.00 0.81 H new ATOM 1000 N LEU A 79 -4.697 4.584 -3.140 1.00 0.30 N ATOM 1001 CA LEU A 79 -5.765 5.572 -3.184 1.00 0.38 C ATOM 1002 C LEU A 79 -6.397 5.633 -4.569 1.00 0.34 C ATOM 1003 O LEU A 79 -7.577 5.954 -4.704 1.00 0.37 O ATOM 1004 CB LEU A 79 -5.238 6.950 -2.775 1.00 0.48 C ATOM 1005 CG LEU A 79 -5.436 7.324 -1.301 1.00 0.68 C ATOM 1006 CD1 LEU A 79 -6.915 7.495 -0.986 1.00 1.61 C ATOM 1007 CD2 LEU A 79 -4.822 6.274 -0.386 1.00 1.08 C ATOM 0 H LEU A 79 -3.784 4.963 -2.890 1.00 0.30 H new ATOM 0 HA LEU A 79 -6.535 5.269 -2.474 1.00 0.38 H new ATOM 0 HB2 LEU A 79 -4.173 6.994 -3.003 1.00 0.48 H new ATOM 0 HB3 LEU A 79 -5.727 7.704 -3.392 1.00 0.48 H new ATOM 0 HG LEU A 79 -4.929 8.272 -1.124 1.00 0.68 H new ATOM 0 HD11 LEU A 79 -7.035 7.760 0.064 1.00 1.61 H new ATOM 0 HD12 LEU A 79 -7.331 8.286 -1.610 1.00 1.61 H new ATOM 0 HD13 LEU A 79 -7.440 6.561 -1.187 1.00 1.61 H new ATOM 0 HD21 LEU A 79 -4.976 6.563 0.654 1.00 1.08 H new ATOM 0 HD22 LEU A 79 -5.296 5.310 -0.569 1.00 1.08 H new ATOM 0 HD23 LEU A 79 -3.753 6.197 -0.587 1.00 1.08 H new ATOM 1019 N GLU A 80 -5.616 5.306 -5.590 1.00 0.30 N ATOM 1020 CA GLU A 80 -6.118 5.255 -6.950 1.00 0.33 C ATOM 1021 C GLU A 80 -7.015 4.038 -7.148 1.00 0.27 C ATOM 1022 O GLU A 80 -8.006 4.091 -7.875 1.00 0.30 O ATOM 1023 CB GLU A 80 -4.942 5.209 -7.909 1.00 0.43 C ATOM 1024 CG GLU A 80 -4.006 6.387 -7.735 1.00 0.80 C ATOM 1025 CD GLU A 80 -4.653 7.706 -8.108 1.00 1.46 C ATOM 1026 OE1 GLU A 80 -4.666 8.051 -9.309 1.00 2.13 O ATOM 1027 OE2 GLU A 80 -5.152 8.408 -7.204 1.00 1.86 O ATOM 0 H GLU A 80 -4.628 5.072 -5.498 1.00 0.30 H new ATOM 0 HA GLU A 80 -6.715 6.145 -7.147 1.00 0.33 H new ATOM 0 HB2 GLU A 80 -4.388 4.283 -7.755 1.00 0.43 H new ATOM 0 HB3 GLU A 80 -5.313 5.192 -8.934 1.00 0.43 H new ATOM 0 HG2 GLU A 80 -3.672 6.431 -6.698 1.00 0.80 H new ATOM 0 HG3 GLU A 80 -3.119 6.235 -8.350 1.00 0.80 H new ATOM 1034 N LEU A 81 -6.662 2.946 -6.485 1.00 0.23 N ATOM 1035 CA LEU A 81 -7.467 1.738 -6.501 1.00 0.24 C ATOM 1036 C LEU A 81 -8.822 2.037 -5.869 1.00 0.25 C ATOM 1037 O LEU A 81 -9.873 1.749 -6.439 1.00 0.32 O ATOM 1038 CB LEU A 81 -6.753 0.637 -5.719 1.00 0.31 C ATOM 1039 CG LEU A 81 -6.948 -0.785 -6.242 1.00 0.41 C ATOM 1040 CD1 LEU A 81 -6.108 -1.759 -5.434 1.00 1.08 C ATOM 1041 CD2 LEU A 81 -8.413 -1.198 -6.203 1.00 1.17 C ATOM 0 H LEU A 81 -5.813 2.875 -5.924 1.00 0.23 H new ATOM 0 HA LEU A 81 -7.613 1.401 -7.527 1.00 0.24 H new ATOM 0 HB2 LEU A 81 -5.686 0.857 -5.711 1.00 0.31 H new ATOM 0 HB3 LEU A 81 -7.094 0.673 -4.684 1.00 0.31 H new ATOM 0 HG LEU A 81 -6.623 -0.806 -7.282 1.00 0.41 H new ATOM 0 HD11 LEU A 81 -6.255 -2.769 -5.815 1.00 1.08 H new ATOM 0 HD12 LEU A 81 -5.055 -1.489 -5.518 1.00 1.08 H new ATOM 0 HD13 LEU A 81 -6.410 -1.719 -4.387 1.00 1.08 H new ATOM 0 HD21 LEU A 81 -8.515 -2.215 -6.582 1.00 1.17 H new ATOM 0 HD22 LEU A 81 -8.776 -1.156 -5.176 1.00 1.17 H new ATOM 0 HD23 LEU A 81 -8.999 -0.519 -6.823 1.00 1.17 H new ATOM 1053 N LEU A 82 -8.774 2.655 -4.693 1.00 0.28 N ATOM 1054 CA LEU A 82 -9.969 3.062 -3.967 1.00 0.41 C ATOM 1055 C LEU A 82 -10.682 4.221 -4.660 1.00 0.46 C ATOM 1056 O LEU A 82 -11.743 4.665 -4.219 1.00 0.63 O ATOM 1057 CB LEU A 82 -9.586 3.455 -2.539 1.00 0.50 C ATOM 1058 CG LEU A 82 -9.690 2.338 -1.500 1.00 0.59 C ATOM 1059 CD1 LEU A 82 -9.098 1.033 -2.020 1.00 0.86 C ATOM 1060 CD2 LEU A 82 -9.004 2.756 -0.207 1.00 1.15 C ATOM 0 H LEU A 82 -7.903 2.888 -4.217 1.00 0.28 H new ATOM 0 HA LEU A 82 -10.660 2.219 -3.945 1.00 0.41 H new ATOM 0 HB2 LEU A 82 -8.562 3.828 -2.545 1.00 0.50 H new ATOM 0 HB3 LEU A 82 -10.224 4.281 -2.224 1.00 0.50 H new ATOM 0 HG LEU A 82 -10.747 2.164 -1.300 1.00 0.59 H new ATOM 0 HD11 LEU A 82 -9.189 0.262 -1.255 1.00 0.86 H new ATOM 0 HD12 LEU A 82 -9.635 0.721 -2.916 1.00 0.86 H new ATOM 0 HD13 LEU A 82 -8.046 1.182 -2.261 1.00 0.86 H new ATOM 0 HD21 LEU A 82 -9.085 1.952 0.524 1.00 1.15 H new ATOM 0 HD22 LEU A 82 -7.952 2.963 -0.404 1.00 1.15 H new ATOM 0 HD23 LEU A 82 -9.483 3.653 0.185 1.00 1.15 H new ATOM 1072 N ASN A 83 -10.099 4.704 -5.744 1.00 0.45 N ATOM 1073 CA ASN A 83 -10.696 5.784 -6.516 1.00 0.55 C ATOM 1074 C ASN A 83 -11.443 5.203 -7.708 1.00 0.53 C ATOM 1075 O ASN A 83 -12.239 5.878 -8.358 1.00 0.59 O ATOM 1076 CB ASN A 83 -9.612 6.756 -6.993 1.00 0.67 C ATOM 1077 CG ASN A 83 -10.177 8.043 -7.558 1.00 0.85 C ATOM 1078 OD1 ASN A 83 -10.435 8.150 -8.757 1.00 1.37 O ATOM 1079 ND2 ASN A 83 -10.363 9.033 -6.699 1.00 1.46 N ATOM 0 H ASN A 83 -9.210 4.365 -6.111 1.00 0.45 H new ATOM 0 HA ASN A 83 -11.397 6.331 -5.885 1.00 0.55 H new ATOM 0 HB2 ASN A 83 -8.951 6.991 -6.159 1.00 0.67 H new ATOM 0 HB3 ASN A 83 -9.004 6.268 -7.754 1.00 0.67 H new ATOM 0 HD21 ASN A 83 -10.733 9.926 -7.023 1.00 1.46 H new ATOM 0 HD22 ASN A 83 -10.136 8.902 -5.713 1.00 1.46 H new