USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 693 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 6 ASN : amide:sc= 0 X(o=-0.074,f=-0.22) USER MOD Set 1.2: A 89 GLN : amide:sc= -0.0735 X(o=-0.074,f=-0.2) USER MOD Set 2.1: A 84 ASN : amide:sc= 0.449 K(o=-0.45,f=-4.7!) USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= -0.899 USER MOD Set 3.1: A 24 HIS : no HD1:sc= 0.0807 K(o=1.2,f=0.41) USER MOD Set 3.2: A 50 TYR OH : rot 10:sc= 1.12 USER MOD Set 4.1: A 8 LYS NZ :NH3+ -144:sc= 2.41 (180deg=-0.775) USER MOD Set 4.2: A 69 TYR OH : rot 2:sc= 1.03 USER MOD Single : A 9 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-3.2!) USER MOD Single : A 22 SER OG : rot 43:sc= 0.102 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -69:sc= 0.189 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc=-0.00922 K(o=-0.0092,f=-1.4) USER MOD Single : A 33 GLN : amide:sc= 0.701 K(o=0.7,f=0) USER MOD Single : A 35 MET CE :methyl 175:sc= -0.0149 (180deg=-0.0448) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -162:sc= 1.19 (180deg=0.0195) USER MOD Single : A 43 SER OG : rot 95:sc= 1.13 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 140:sc= -1.19 USER MOD Single : A 74 HIS : no HD1:sc= 0.194 K(o=0.19,f=-0.87) USER MOD Single : A 77 LYS NZ :NH3+ -108:sc= 0.772 (180deg=-0.307) USER MOD Single : A 81 SER OG : rot -92:sc= 0.805 USER MOD Single : A 91 LYS NZ :NH3+ -138:sc= -0.748 (180deg=-2.18!) USER MOD Single : A 96 MET CE :methyl -163:sc= -0.0611 (180deg=-0.384) USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 98 THR OG1 : rot 89:sc= 1.24 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 104 SER OG : rot 75:sc= 1.25 USER MOD Single : A 105 SER OG : rot 97:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -7.979 -11.159 -14.807 1.00 0.51 N ATOM 21 CA GLU A 2 -8.280 -9.978 -13.992 1.00 0.37 C ATOM 22 C GLU A 2 -8.003 -8.704 -14.795 1.00 0.34 C ATOM 23 O GLU A 2 -7.425 -8.755 -15.885 1.00 0.48 O ATOM 24 CB GLU A 2 -7.428 -9.976 -12.713 1.00 0.53 C ATOM 25 CG GLU A 2 -7.380 -11.355 -12.035 1.00 0.96 C ATOM 26 CD GLU A 2 -6.043 -12.040 -12.293 1.00 1.61 C ATOM 27 OE1 GLU A 2 -5.740 -12.360 -13.459 1.00 2.16 O ATOM 28 OE2 GLU A 2 -5.286 -12.258 -11.327 1.00 2.09 O ATOM 0 HA GLU A 2 -9.334 -10.009 -13.714 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -6.414 -9.659 -12.956 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -7.831 -9.244 -12.013 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -7.535 -11.243 -10.962 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -8.191 -11.978 -12.411 1.00 0.96 H new ATOM 35 N GLY A 3 -8.407 -7.563 -14.249 1.00 0.25 N ATOM 36 CA GLY A 3 -8.201 -6.272 -14.905 1.00 0.28 C ATOM 37 C GLY A 3 -9.037 -5.185 -14.242 1.00 0.22 C ATOM 38 O GLY A 3 -9.829 -5.458 -13.331 1.00 0.22 O ATOM 0 H GLY A 3 -8.882 -7.503 -13.348 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -7.146 -6.002 -14.862 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.467 -6.349 -15.959 1.00 0.28 H new ATOM 42 N PHE A 4 -8.867 -3.953 -14.714 1.00 0.24 N ATOM 43 CA PHE A 4 -9.611 -2.803 -14.192 1.00 0.21 C ATOM 44 C PHE A 4 -10.905 -2.627 -14.982 1.00 0.22 C ATOM 45 O PHE A 4 -10.956 -2.898 -16.185 1.00 0.27 O ATOM 46 CB PHE A 4 -8.764 -1.530 -14.282 1.00 0.23 C ATOM 47 CG PHE A 4 -7.805 -1.371 -13.121 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.282 -0.957 -11.886 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.453 -1.630 -13.285 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.413 -0.801 -10.823 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.583 -1.474 -12.217 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.063 -1.058 -10.989 1.00 0.41 C ATOM 0 H PHE A 4 -8.215 -3.721 -15.464 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.850 -2.985 -13.144 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.198 -1.542 -15.214 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.424 -0.664 -14.321 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.335 -0.756 -11.755 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.078 -1.953 -14.245 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -7.787 -0.479 -9.863 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.530 -1.677 -12.344 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.384 -0.933 -10.158 1.00 0.41 H new ATOM 62 N LEU A 5 -11.943 -2.174 -14.299 1.00 0.19 N ATOM 63 CA LEU A 5 -13.254 -1.968 -14.913 1.00 0.21 C ATOM 64 C LEU A 5 -14.030 -0.872 -14.179 1.00 0.20 C ATOM 65 O LEU A 5 -13.957 -0.754 -12.956 1.00 0.21 O ATOM 66 CB LEU A 5 -14.071 -3.275 -14.848 1.00 0.23 C ATOM 67 CG LEU A 5 -14.070 -4.047 -16.169 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.829 -5.369 -16.008 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.678 -3.210 -17.297 1.00 0.31 C ATOM 0 H LEU A 5 -11.906 -1.938 -13.307 1.00 0.19 H new ATOM 0 HA LEU A 5 -13.100 -1.669 -15.950 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.666 -3.911 -14.061 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.099 -3.041 -14.571 1.00 0.23 H new ATOM 0 HG LEU A 5 -13.036 -4.266 -16.437 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.822 -5.910 -16.954 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.347 -5.974 -15.240 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.859 -5.164 -15.715 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.664 -3.784 -18.224 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.707 -2.952 -17.045 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -14.097 -2.297 -17.427 1.00 0.31 H new ATOM 81 N ASN A 6 -14.826 -0.119 -14.930 1.00 0.22 N ATOM 82 CA ASN A 6 -15.684 0.922 -14.359 1.00 0.23 C ATOM 83 C ASN A 6 -17.012 0.256 -14.008 1.00 0.22 C ATOM 84 O ASN A 6 -17.583 -0.428 -14.849 1.00 0.26 O ATOM 85 CB ASN A 6 -15.870 2.067 -15.371 1.00 0.28 C ATOM 86 CG ASN A 6 -15.234 3.353 -14.849 1.00 0.72 C ATOM 87 OD1 ASN A 6 -15.806 4.037 -14.002 1.00 1.49 O ATOM 88 ND2 ASN A 6 -14.052 3.683 -15.350 1.00 1.24 N ATOM 0 H ASN A 6 -14.897 -0.209 -15.944 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.241 1.363 -13.466 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.420 1.793 -16.325 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.932 2.229 -15.555 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -13.583 4.532 -15.034 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -13.611 3.088 -16.051 1.00 1.24 H new ATOM 95 N ARG A 7 -17.464 0.396 -12.758 1.00 0.23 N ATOM 96 CA ARG A 7 -18.698 -0.260 -12.294 1.00 0.24 C ATOM 97 C ARG A 7 -19.760 0.747 -11.847 1.00 0.25 C ATOM 98 O ARG A 7 -19.549 1.517 -10.908 1.00 0.32 O ATOM 99 CB ARG A 7 -18.353 -1.196 -11.125 1.00 0.28 C ATOM 100 CG ARG A 7 -19.507 -2.141 -10.774 1.00 0.34 C ATOM 101 CD ARG A 7 -19.218 -2.906 -9.478 1.00 0.54 C ATOM 102 NE ARG A 7 -19.295 -2.005 -8.320 1.00 0.95 N ATOM 103 CZ ARG A 7 -18.410 -2.042 -7.325 1.00 1.16 C ATOM 104 NH1 ARG A 7 -18.586 -2.886 -6.315 1.00 1.46 N ATOM 105 NH2 ARG A 7 -17.348 -1.240 -7.356 1.00 1.71 N ATOM 0 H ARG A 7 -16.996 0.957 -12.046 1.00 0.23 H new ATOM 0 HA ARG A 7 -19.116 -0.821 -13.130 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.471 -1.783 -11.381 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -18.096 -0.600 -10.249 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.429 -1.570 -10.665 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.664 -2.847 -11.590 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -19.934 -3.719 -9.362 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.228 -3.358 -9.529 1.00 0.54 H new ATOM 0 HE ARG A 7 -20.055 -1.326 -8.276 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -19.397 -3.504 -6.302 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -17.910 -2.916 -5.552 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -17.215 -0.601 -8.139 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -16.668 -1.265 -6.596 1.00 1.71 H new ATOM 119 N LYS A 8 -20.922 0.695 -12.502 1.00 0.27 N ATOM 120 CA LYS A 8 -22.069 1.548 -12.170 1.00 0.29 C ATOM 121 C LYS A 8 -23.204 0.650 -11.688 1.00 0.29 C ATOM 122 O LYS A 8 -23.682 -0.203 -12.433 1.00 0.38 O ATOM 123 CB LYS A 8 -22.523 2.345 -13.394 1.00 0.36 C ATOM 124 CG LYS A 8 -23.572 3.409 -13.029 1.00 0.37 C ATOM 125 CD LYS A 8 -24.742 3.411 -14.019 1.00 0.50 C ATOM 126 CE LYS A 8 -26.083 3.657 -13.319 1.00 0.62 C ATOM 127 NZ LYS A 8 -27.149 4.024 -14.295 1.00 1.02 N ATOM 0 H LYS A 8 -21.096 0.059 -13.280 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.785 2.258 -11.393 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.660 2.828 -13.853 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.940 1.664 -14.136 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.946 3.221 -12.023 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -23.104 4.393 -13.016 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.579 4.182 -14.772 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.776 2.456 -14.543 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.380 2.761 -12.774 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.970 4.454 -12.584 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.785 4.726 -13.866 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -26.714 4.427 -15.149 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -27.693 3.175 -14.551 1.00 1.02 H new ATOM 141 N HIS A 9 -23.611 0.825 -10.437 1.00 0.43 N ATOM 142 CA HIS A 9 -24.671 0.012 -9.829 1.00 0.52 C ATOM 143 C HIS A 9 -26.041 0.424 -10.376 1.00 0.58 C ATOM 144 O HIS A 9 -26.609 1.430 -9.959 1.00 0.73 O ATOM 145 CB HIS A 9 -24.649 0.138 -8.285 1.00 0.68 C ATOM 146 CG HIS A 9 -23.281 -0.015 -7.670 1.00 0.88 C ATOM 147 ND1 HIS A 9 -23.030 -0.764 -6.549 1.00 1.21 N ATOM 148 CD2 HIS A 9 -22.076 0.502 -8.015 1.00 1.22 C ATOM 149 CE1 HIS A 9 -21.763 -0.716 -6.226 1.00 1.69 C ATOM 150 NE2 HIS A 9 -21.143 0.051 -7.107 1.00 1.75 N ATOM 0 H HIS A 9 -23.221 1.531 -9.812 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.489 -1.031 -10.089 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -25.053 1.111 -8.006 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -25.312 -0.616 -7.861 1.00 0.68 H new ATOM 0 HD2 HIS A 9 -21.882 1.153 -8.854 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -21.303 -1.216 -5.386 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -20.147 0.271 -7.113 1.00 1.75 H new ATOM 158 N GLU A 10 -26.559 -0.364 -11.319 1.00 0.60 N ATOM 159 CA GLU A 10 -27.864 -0.100 -11.936 1.00 0.73 C ATOM 160 C GLU A 10 -29.004 -0.603 -11.039 1.00 0.83 C ATOM 161 O GLU A 10 -30.154 -0.204 -11.209 1.00 1.00 O ATOM 162 CB GLU A 10 -27.932 -0.780 -13.313 1.00 0.79 C ATOM 163 CG GLU A 10 -27.745 0.230 -14.450 1.00 1.28 C ATOM 164 CD GLU A 10 -29.018 1.034 -14.670 1.00 1.19 C ATOM 165 OE1 GLU A 10 -29.968 0.502 -15.280 1.00 1.72 O ATOM 166 OE2 GLU A 10 -29.072 2.201 -14.230 1.00 1.52 O ATOM 0 H GLU A 10 -26.092 -1.198 -11.676 1.00 0.60 H new ATOM 0 HA GLU A 10 -27.980 0.977 -12.059 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.162 -1.549 -13.378 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.893 -1.281 -13.425 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -26.920 0.903 -14.214 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -27.476 -0.293 -15.368 1.00 1.28 H new ATOM 173 N TRP A 11 -28.674 -1.477 -10.088 1.00 0.82 N ATOM 174 CA TRP A 11 -29.654 -2.035 -9.158 1.00 0.96 C ATOM 175 C TRP A 11 -28.927 -2.680 -7.981 1.00 0.94 C ATOM 176 O TRP A 11 -28.199 -3.669 -8.151 1.00 0.84 O ATOM 177 CB TRP A 11 -30.553 -3.070 -9.861 1.00 1.08 C ATOM 178 CG TRP A 11 -31.750 -3.472 -9.031 1.00 1.26 C ATOM 179 CD1 TRP A 11 -32.893 -2.747 -8.829 1.00 1.54 C ATOM 180 CD2 TRP A 11 -31.914 -4.691 -8.276 1.00 1.26 C ATOM 181 NE1 TRP A 11 -33.731 -3.457 -8.012 1.00 1.67 N ATOM 182 CE2 TRP A 11 -33.170 -4.638 -7.655 1.00 1.51 C ATOM 183 CE3 TRP A 11 -31.124 -5.817 -8.072 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -33.640 -5.664 -6.854 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -31.587 -6.847 -7.268 1.00 1.35 C ATOM 186 CH2 TRP A 11 -32.832 -6.772 -6.665 1.00 1.53 C ATOM 0 H TRP A 11 -27.723 -1.817 -9.941 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.291 -1.229 -8.794 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -30.897 -2.659 -10.810 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -29.964 -3.957 -10.093 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.100 -1.773 -9.246 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -34.653 -3.140 -7.712 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -30.153 -5.889 -8.539 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -34.612 -5.602 -6.388 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -30.969 -7.719 -7.110 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -33.175 -7.585 -6.042 1.00 1.53 H new ATOM 353 N SER A 22 -21.399 6.879 -8.178 1.00 1.32 N ATOM 354 CA SER A 22 -21.660 6.967 -9.613 1.00 0.74 C ATOM 355 C SER A 22 -20.377 6.638 -10.381 1.00 0.68 C ATOM 356 O SER A 22 -19.455 7.455 -10.435 1.00 1.69 O ATOM 357 CB SER A 22 -22.149 8.376 -9.965 1.00 1.62 C ATOM 358 OG SER A 22 -23.311 8.702 -9.214 1.00 1.86 O ATOM 0 HA SER A 22 -22.434 6.252 -9.891 1.00 0.74 H new ATOM 0 HB2 SER A 22 -21.362 9.102 -9.761 1.00 1.62 H new ATOM 0 HB3 SER A 22 -22.369 8.435 -11.031 1.00 1.62 H new ATOM 0 HG SER A 22 -23.192 8.412 -8.285 1.00 1.86 H new ATOM 364 N TRP A 23 -20.329 5.431 -10.953 1.00 0.69 N ATOM 365 CA TRP A 23 -19.171 4.936 -11.717 1.00 0.41 C ATOM 366 C TRP A 23 -17.960 4.740 -10.797 1.00 0.40 C ATOM 367 O TRP A 23 -17.187 5.665 -10.545 1.00 0.55 O ATOM 368 CB TRP A 23 -18.855 5.858 -12.919 1.00 0.43 C ATOM 369 CG TRP A 23 -19.776 5.597 -14.079 1.00 0.40 C ATOM 370 CD1 TRP A 23 -20.731 6.431 -14.591 1.00 0.45 C ATOM 371 CD2 TRP A 23 -19.833 4.390 -14.860 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.363 5.792 -15.623 1.00 0.42 N ATOM 373 CE2 TRP A 23 -20.840 4.549 -15.818 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.125 3.194 -14.829 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.146 3.547 -16.732 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.418 2.193 -15.735 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.424 2.364 -16.681 1.00 0.31 C ATOM 0 H TRP A 23 -21.097 4.762 -10.901 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.423 3.960 -12.132 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -18.944 6.900 -12.611 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -17.822 5.705 -13.233 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -20.950 7.428 -14.239 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.123 6.192 -16.172 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.345 3.047 -14.096 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -21.927 3.687 -17.464 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.861 1.268 -15.709 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.644 1.571 -17.380 1.00 0.31 H new ATOM 388 N HIS A 24 -17.840 3.514 -10.286 1.00 0.37 N ATOM 389 CA HIS A 24 -16.770 3.116 -9.370 1.00 0.45 C ATOM 390 C HIS A 24 -15.708 2.303 -10.122 1.00 0.36 C ATOM 391 O HIS A 24 -15.961 1.161 -10.516 1.00 0.34 O ATOM 392 CB HIS A 24 -17.387 2.263 -8.235 1.00 0.61 C ATOM 393 CG HIS A 24 -16.549 2.182 -6.990 1.00 1.18 C ATOM 394 ND1 HIS A 24 -17.085 2.157 -5.725 1.00 2.08 N ATOM 395 CD2 HIS A 24 -15.208 2.106 -6.803 1.00 1.66 C ATOM 396 CE1 HIS A 24 -16.145 2.077 -4.816 1.00 2.98 C ATOM 397 NE2 HIS A 24 -14.977 2.041 -5.440 1.00 2.74 N ATOM 0 H HIS A 24 -18.492 2.759 -10.500 1.00 0.37 H new ATOM 0 HA HIS A 24 -16.291 4.001 -8.951 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -18.361 2.677 -7.976 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -17.559 1.253 -8.609 1.00 0.61 H new ATOM 0 HD2 HIS A 24 -14.456 2.098 -7.578 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -16.296 2.046 -3.747 1.00 2.98 H new ATOM 0 HE2 HIS A 24 -14.063 1.976 -4.992 1.00 2.74 H new ATOM 405 N ASN A 25 -14.521 2.885 -10.302 1.00 0.37 N ATOM 406 CA ASN A 25 -13.405 2.203 -10.980 1.00 0.35 C ATOM 407 C ASN A 25 -12.850 1.135 -10.029 1.00 0.34 C ATOM 408 O ASN A 25 -12.235 1.459 -9.009 1.00 0.55 O ATOM 409 CB ASN A 25 -12.317 3.222 -11.367 1.00 0.44 C ATOM 410 CG ASN A 25 -11.291 2.623 -12.341 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.365 1.451 -12.715 1.00 1.71 O ATOM 412 ND2 ASN A 25 -10.333 3.437 -12.759 1.00 1.49 N ATOM 0 H ASN A 25 -14.302 3.831 -9.988 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.749 1.728 -11.899 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.783 4.095 -11.823 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.806 3.566 -10.468 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -9.626 3.099 -13.412 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -10.303 4.401 -12.428 1.00 1.49 H new ATOM 419 N VAL A 26 -13.121 -0.132 -10.339 1.00 0.22 N ATOM 420 CA VAL A 26 -12.711 -1.251 -9.491 1.00 0.21 C ATOM 421 C VAL A 26 -11.962 -2.326 -10.296 1.00 0.18 C ATOM 422 O VAL A 26 -12.093 -2.419 -11.519 1.00 0.23 O ATOM 423 CB VAL A 26 -13.976 -1.821 -8.815 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.857 -2.581 -9.810 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.624 -2.702 -7.624 1.00 0.31 C ATOM 0 H VAL A 26 -13.628 -0.411 -11.179 1.00 0.22 H new ATOM 0 HA VAL A 26 -12.011 -0.904 -8.731 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.549 -0.970 -8.446 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.737 -2.967 -9.296 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -15.169 -1.907 -10.608 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.293 -3.411 -10.236 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.539 -3.086 -7.173 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.007 -3.536 -7.958 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.074 -2.116 -6.888 1.00 0.31 H new ATOM 435 N TYR A 27 -11.185 -3.142 -9.587 1.00 0.16 N ATOM 436 CA TYR A 27 -10.404 -4.232 -10.179 1.00 0.16 C ATOM 437 C TYR A 27 -11.173 -5.542 -10.001 1.00 0.19 C ATOM 438 O TYR A 27 -11.376 -5.999 -8.875 1.00 0.34 O ATOM 439 CB TYR A 27 -9.038 -4.293 -9.482 1.00 0.17 C ATOM 440 CG TYR A 27 -8.007 -5.145 -10.187 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.165 -4.576 -11.125 1.00 0.28 C ATOM 442 CD2 TYR A 27 -7.877 -6.491 -9.873 1.00 0.26 C ATOM 443 CE1 TYR A 27 -6.195 -5.342 -11.746 1.00 0.33 C ATOM 444 CE2 TYR A 27 -6.909 -7.258 -10.502 1.00 0.30 C ATOM 445 CZ TYR A 27 -6.071 -6.679 -11.434 1.00 0.29 C ATOM 446 OH TYR A 27 -5.095 -7.441 -12.044 1.00 0.37 O ATOM 0 H TYR A 27 -11.077 -3.067 -8.576 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.245 -4.065 -11.244 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.648 -3.280 -9.387 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.178 -4.677 -8.472 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -7.265 -3.530 -11.374 1.00 0.28 H new ATOM 0 HD2 TYR A 27 -8.530 -6.940 -9.139 1.00 0.26 H new ATOM 0 HE1 TYR A 27 -5.536 -4.893 -12.474 1.00 0.33 H new ATOM 0 HE2 TYR A 27 -6.810 -8.307 -10.263 1.00 0.30 H new ATOM 0 HH TYR A 27 -5.143 -8.362 -11.711 1.00 0.37 H new ATOM 456 N CYS A 28 -11.622 -6.125 -11.109 1.00 0.16 N ATOM 457 CA CYS A 28 -12.399 -7.371 -11.084 1.00 0.19 C ATOM 458 C CYS A 28 -11.497 -8.586 -11.322 1.00 0.19 C ATOM 459 O CYS A 28 -10.638 -8.577 -12.209 1.00 0.23 O ATOM 460 CB CYS A 28 -13.505 -7.313 -12.145 1.00 0.23 C ATOM 461 SG CYS A 28 -14.485 -5.800 -12.048 1.00 0.34 S ATOM 0 H CYS A 28 -11.462 -5.754 -12.046 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.852 -7.477 -10.098 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.057 -7.388 -13.136 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.162 -8.175 -12.027 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.206 -5.819 -10.966 1.00 0.34 H new ATOM 467 N VAL A 29 -11.708 -9.627 -10.516 1.00 0.21 N ATOM 468 CA VAL A 29 -10.944 -10.874 -10.592 1.00 0.24 C ATOM 469 C VAL A 29 -11.905 -12.049 -10.785 1.00 0.26 C ATOM 470 O VAL A 29 -12.594 -12.442 -9.848 1.00 0.38 O ATOM 471 CB VAL A 29 -10.136 -11.075 -9.295 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.293 -12.357 -9.366 1.00 0.37 C ATOM 473 CG2 VAL A 29 -9.250 -9.863 -9.008 1.00 0.33 C ATOM 0 H VAL A 29 -12.420 -9.629 -9.786 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.256 -10.823 -11.436 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.845 -11.179 -8.474 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.732 -12.476 -8.439 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -9.949 -13.216 -9.506 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.599 -12.290 -10.204 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.691 -10.031 -8.088 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.554 -9.717 -9.834 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.873 -8.975 -8.897 1.00 0.33 H new ATOM 483 N ILE A 30 -11.943 -12.615 -11.994 1.00 0.28 N ATOM 484 CA ILE A 30 -12.820 -13.758 -12.293 1.00 0.32 C ATOM 485 C ILE A 30 -12.110 -15.059 -11.912 1.00 0.35 C ATOM 486 O ILE A 30 -11.004 -15.332 -12.385 1.00 0.44 O ATOM 487 CB ILE A 30 -13.199 -13.766 -13.785 1.00 0.40 C ATOM 488 CG1 ILE A 30 -14.019 -12.518 -14.139 1.00 0.47 C ATOM 489 CG2 ILE A 30 -13.981 -15.038 -14.147 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.348 -12.462 -15.629 1.00 0.57 C ATOM 0 H ILE A 30 -11.378 -12.303 -12.784 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.737 -13.670 -11.710 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.277 -13.755 -14.367 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.944 -12.514 -13.562 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -13.463 -11.625 -13.855 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.237 -15.019 -15.206 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -13.367 -15.914 -13.938 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -14.894 -15.085 -13.554 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.929 -11.564 -15.840 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.423 -12.439 -16.205 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -14.927 -13.343 -15.907 1.00 0.57 H new ATOM 502 N ASN A 31 -12.748 -15.853 -11.050 1.00 0.46 N ATOM 503 CA ASN A 31 -12.180 -17.131 -10.591 1.00 0.58 C ATOM 504 C ASN A 31 -13.304 -18.117 -10.261 1.00 0.71 C ATOM 505 O ASN A 31 -14.322 -17.735 -9.676 1.00 1.20 O ATOM 506 CB ASN A 31 -11.290 -16.889 -9.358 1.00 0.73 C ATOM 507 CG ASN A 31 -10.347 -18.070 -9.129 1.00 0.93 C ATOM 508 OD1 ASN A 31 -9.395 -18.268 -9.885 1.00 1.27 O ATOM 509 ND2 ASN A 31 -10.608 -18.856 -8.097 1.00 1.47 N ATOM 0 H ASN A 31 -13.662 -15.636 -10.652 1.00 0.46 H new ATOM 0 HA ASN A 31 -11.569 -17.561 -11.385 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -10.710 -15.976 -9.496 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -11.914 -16.740 -8.477 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -10.011 -19.660 -7.904 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -11.407 -18.658 -7.494 1.00 1.47 H new ATOM 516 N ASN A 32 -13.115 -19.388 -10.648 1.00 0.85 N ATOM 517 CA ASN A 32 -14.110 -20.452 -10.418 1.00 1.00 C ATOM 518 C ASN A 32 -15.401 -20.115 -11.181 1.00 1.00 C ATOM 519 O ASN A 32 -15.455 -20.255 -12.408 1.00 1.97 O ATOM 520 CB ASN A 32 -14.356 -20.627 -8.900 1.00 1.24 C ATOM 521 CG ASN A 32 -15.138 -21.911 -8.590 1.00 1.73 C ATOM 522 OD1 ASN A 32 -15.353 -22.755 -9.460 1.00 2.06 O ATOM 523 ND2 ASN A 32 -15.556 -22.057 -7.342 1.00 2.52 N ATOM 0 H ASN A 32 -12.273 -19.708 -11.127 1.00 0.85 H new ATOM 0 HA ASN A 32 -13.737 -21.404 -10.796 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -13.400 -20.650 -8.378 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -14.906 -19.766 -8.520 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -16.076 -22.892 -7.073 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -15.358 -21.334 -6.650 1.00 2.52 H new ATOM 530 N GLN A 33 -16.412 -19.630 -10.462 1.00 0.75 N ATOM 531 CA GLN A 33 -17.690 -19.220 -11.058 1.00 0.67 C ATOM 532 C GLN A 33 -18.198 -17.952 -10.358 1.00 0.56 C ATOM 533 O GLN A 33 -19.421 -17.701 -10.298 1.00 0.71 O ATOM 534 CB GLN A 33 -18.715 -20.358 -10.958 1.00 0.83 C ATOM 535 CG GLN A 33 -18.380 -21.488 -11.943 1.00 1.46 C ATOM 536 CD GLN A 33 -19.646 -22.221 -12.379 1.00 1.85 C ATOM 537 OE1 GLN A 33 -20.288 -22.902 -11.578 1.00 2.11 O ATOM 538 NE2 GLN A 33 -20.003 -22.102 -13.650 1.00 2.67 N ATOM 0 H GLN A 33 -16.372 -19.509 -9.450 1.00 0.75 H new ATOM 0 HA GLN A 33 -17.543 -18.998 -12.115 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -18.731 -20.750 -9.941 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -19.713 -19.973 -11.167 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -17.874 -21.077 -12.816 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -17.690 -22.191 -11.476 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -19.447 -21.529 -14.285 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -20.834 -22.583 -13.993 1.00 2.67 H new ATOM 547 N GLU A 34 -17.236 -17.159 -9.838 1.00 0.53 N ATOM 548 CA GLU A 34 -17.507 -15.901 -9.140 1.00 0.49 C ATOM 549 C GLU A 34 -16.468 -14.858 -9.558 1.00 0.45 C ATOM 550 O GLU A 34 -15.449 -15.188 -10.178 1.00 0.64 O ATOM 551 CB GLU A 34 -17.432 -16.100 -7.614 1.00 0.61 C ATOM 552 CG GLU A 34 -18.405 -17.176 -7.117 1.00 1.25 C ATOM 553 CD GLU A 34 -17.647 -18.420 -6.679 1.00 1.42 C ATOM 554 OE1 GLU A 34 -17.107 -18.432 -5.555 1.00 1.79 O ATOM 555 OE2 GLU A 34 -17.599 -19.393 -7.457 1.00 1.89 O ATOM 0 H GLU A 34 -16.243 -17.384 -9.896 1.00 0.53 H new ATOM 0 HA GLU A 34 -18.509 -15.564 -9.404 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -16.415 -16.377 -7.336 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -17.653 -15.156 -7.116 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -18.991 -16.788 -6.284 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -19.109 -17.432 -7.909 1.00 1.25 H new ATOM 562 N MET A 35 -16.720 -13.608 -9.194 1.00 0.36 N ATOM 563 CA MET A 35 -15.814 -12.503 -9.488 1.00 0.35 C ATOM 564 C MET A 35 -15.517 -11.746 -8.193 1.00 0.32 C ATOM 565 O MET A 35 -16.422 -11.450 -7.409 1.00 0.42 O ATOM 566 CB MET A 35 -16.412 -11.569 -10.556 1.00 0.41 C ATOM 567 CG MET A 35 -17.615 -10.773 -10.044 1.00 0.43 C ATOM 568 SD MET A 35 -18.355 -9.752 -11.335 1.00 0.60 S ATOM 569 CE MET A 35 -20.058 -9.642 -10.757 1.00 1.25 C ATOM 0 H MET A 35 -17.559 -13.330 -8.686 1.00 0.36 H new ATOM 0 HA MET A 35 -14.882 -12.897 -9.894 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.643 -10.876 -10.897 1.00 0.41 H new ATOM 0 HB3 MET A 35 -16.715 -12.160 -11.420 1.00 0.41 H new ATOM 0 HG2 MET A 35 -18.364 -11.461 -9.653 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.302 -10.138 -9.215 1.00 0.43 H new ATOM 0 HE1 MET A 35 -20.619 -8.968 -11.404 1.00 1.25 H new ATOM 0 HE2 MET A 35 -20.515 -10.631 -10.780 1.00 1.25 H new ATOM 0 HE3 MET A 35 -20.072 -9.260 -9.736 1.00 1.25 H new ATOM 579 N GLY A 36 -14.241 -11.457 -7.968 1.00 0.27 N ATOM 580 CA GLY A 36 -13.786 -10.753 -6.772 1.00 0.29 C ATOM 581 C GLY A 36 -13.515 -9.285 -7.080 1.00 0.25 C ATOM 582 O GLY A 36 -12.707 -8.970 -7.956 1.00 0.28 O ATOM 0 H GLY A 36 -13.489 -11.705 -8.611 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.540 -10.832 -5.989 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -12.880 -11.223 -6.390 1.00 0.29 H new ATOM 586 N PHE A 37 -14.190 -8.393 -6.355 1.00 0.24 N ATOM 587 CA PHE A 37 -14.025 -6.945 -6.535 1.00 0.25 C ATOM 588 C PHE A 37 -12.936 -6.431 -5.595 1.00 0.25 C ATOM 589 O PHE A 37 -13.110 -6.436 -4.377 1.00 0.40 O ATOM 590 CB PHE A 37 -15.347 -6.219 -6.245 1.00 0.30 C ATOM 591 CG PHE A 37 -16.419 -6.484 -7.278 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.156 -6.274 -8.623 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.666 -6.951 -6.885 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.134 -6.528 -9.569 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.641 -7.203 -7.833 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.393 -6.949 -9.170 1.00 0.33 C ATOM 0 H PHE A 37 -14.862 -8.648 -5.631 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.735 -6.748 -7.567 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.714 -6.526 -5.265 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.160 -5.146 -6.194 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.187 -5.912 -8.933 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.875 -7.118 -5.839 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -16.916 -6.398 -10.619 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.599 -7.599 -7.529 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.178 -7.078 -9.901 1.00 0.33 H new ATOM 606 N TYR A 38 -11.812 -6.003 -6.168 1.00 0.20 N ATOM 607 CA TYR A 38 -10.674 -5.493 -5.393 1.00 0.21 C ATOM 608 C TYR A 38 -10.290 -4.089 -5.860 1.00 0.21 C ATOM 609 O TYR A 38 -10.842 -3.568 -6.831 1.00 0.23 O ATOM 610 CB TYR A 38 -9.486 -6.449 -5.552 1.00 0.23 C ATOM 611 CG TYR A 38 -9.727 -7.780 -4.882 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.532 -7.910 -3.521 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.156 -8.865 -5.626 1.00 0.27 C ATOM 614 CE1 TYR A 38 -9.764 -9.124 -2.899 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.386 -10.083 -5.010 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.190 -10.211 -3.644 1.00 0.44 C ATOM 617 OH TYR A 38 -10.429 -11.415 -3.016 1.00 0.55 O ATOM 0 H TYR A 38 -11.661 -5.998 -7.177 1.00 0.20 H new ATOM 0 HA TYR A 38 -10.956 -5.434 -4.342 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.291 -6.609 -6.612 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.593 -5.989 -5.129 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.198 -7.062 -2.941 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.312 -8.761 -6.690 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -9.613 -9.224 -1.834 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.717 -10.931 -5.592 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.723 -12.076 -3.677 1.00 0.55 H new ATOM 627 N LYS A 39 -9.333 -3.476 -5.160 1.00 0.25 N ATOM 628 CA LYS A 39 -8.860 -2.126 -5.495 1.00 0.29 C ATOM 629 C LYS A 39 -7.921 -2.159 -6.707 1.00 0.28 C ATOM 630 O LYS A 39 -8.022 -1.317 -7.596 1.00 0.33 O ATOM 631 CB LYS A 39 -8.140 -1.507 -4.286 1.00 0.36 C ATOM 632 CG LYS A 39 -8.235 0.026 -4.289 1.00 0.70 C ATOM 633 CD LYS A 39 -9.406 0.509 -3.439 1.00 1.15 C ATOM 634 CE LYS A 39 -9.600 2.021 -3.557 1.00 1.82 C ATOM 635 NZ LYS A 39 -10.571 2.513 -2.538 1.00 2.51 N ATOM 0 H LYS A 39 -8.867 -3.893 -4.354 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.725 -1.513 -5.750 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.575 -1.896 -3.365 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.092 -1.806 -4.295 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.306 0.451 -3.908 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -8.353 0.383 -5.312 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -10.318 -0.001 -3.751 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -9.233 0.244 -2.396 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -8.643 2.526 -3.427 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -9.958 2.269 -4.556 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -10.687 3.542 -2.637 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -11.489 2.046 -2.680 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -10.215 2.295 -1.585 1.00 2.51 H new ATOM 649 N ASP A 40 -7.008 -3.130 -6.726 1.00 0.28 N ATOM 650 CA ASP A 40 -6.034 -3.280 -7.818 1.00 0.32 C ATOM 651 C ASP A 40 -5.448 -4.697 -7.810 1.00 0.33 C ATOM 652 O ASP A 40 -5.892 -5.558 -7.038 1.00 0.32 O ATOM 653 CB ASP A 40 -4.907 -2.226 -7.692 1.00 0.38 C ATOM 654 CG ASP A 40 -4.050 -2.421 -6.431 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.485 -3.127 -5.495 1.00 0.84 O ATOM 656 OD2 ASP A 40 -2.936 -1.862 -6.378 1.00 0.94 O ATOM 0 H ASP A 40 -6.919 -3.833 -5.992 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.546 -3.118 -8.766 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.267 -2.278 -8.573 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.348 -1.229 -7.676 1.00 0.38 H new ATOM 661 N ALA A 41 -4.440 -4.932 -8.662 1.00 0.40 N ATOM 662 CA ALA A 41 -3.772 -6.242 -8.756 1.00 0.45 C ATOM 663 C ALA A 41 -3.167 -6.660 -7.407 1.00 0.45 C ATOM 664 O ALA A 41 -3.254 -7.825 -7.018 1.00 0.47 O ATOM 665 CB ALA A 41 -2.681 -6.207 -9.825 1.00 0.55 C ATOM 0 H ALA A 41 -4.066 -4.229 -9.300 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.525 -6.979 -9.035 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.197 -7.182 -9.883 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.125 -5.965 -10.790 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -1.942 -5.449 -9.566 1.00 0.55 H new ATOM 671 N LYS A 42 -2.568 -5.702 -6.688 1.00 0.46 N ATOM 672 CA LYS A 42 -1.964 -5.970 -5.369 1.00 0.48 C ATOM 673 C LYS A 42 -3.040 -6.433 -4.375 1.00 0.43 C ATOM 674 O LYS A 42 -2.867 -7.436 -3.681 1.00 0.47 O ATOM 675 CB LYS A 42 -1.260 -4.712 -4.841 1.00 0.54 C ATOM 676 CG LYS A 42 -0.041 -4.348 -5.699 1.00 0.77 C ATOM 677 CD LYS A 42 0.877 -3.343 -4.993 1.00 1.12 C ATOM 678 CE LYS A 42 0.179 -1.996 -4.761 1.00 1.96 C ATOM 679 NZ LYS A 42 -0.371 -1.424 -6.023 1.00 2.76 N ATOM 0 H LYS A 42 -2.487 -4.733 -6.995 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.225 -6.764 -5.479 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -1.962 -3.878 -4.832 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.945 -4.875 -3.810 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.522 -5.252 -5.932 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.377 -3.929 -6.647 1.00 0.77 H new ATOM 0 HD2 LYS A 42 1.199 -3.755 -4.036 1.00 1.12 H new ATOM 0 HD3 LYS A 42 1.775 -3.188 -5.592 1.00 1.12 H new ATOM 0 HE2 LYS A 42 -0.628 -2.126 -4.041 1.00 1.96 H new ATOM 0 HE3 LYS A 42 0.887 -1.292 -4.323 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 -0.555 -0.409 -5.893 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 0.316 -1.555 -6.792 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 -1.259 -1.908 -6.266 1.00 2.76 H new ATOM 693 N SER A 43 -4.160 -5.707 -4.337 1.00 0.38 N ATOM 694 CA SER A 43 -5.286 -6.035 -3.450 1.00 0.38 C ATOM 695 C SER A 43 -5.895 -7.403 -3.810 1.00 0.39 C ATOM 696 O SER A 43 -6.390 -8.119 -2.936 1.00 0.45 O ATOM 697 CB SER A 43 -6.354 -4.945 -3.551 1.00 0.37 C ATOM 698 OG SER A 43 -5.785 -3.664 -3.317 1.00 1.04 O ATOM 0 H SER A 43 -4.315 -4.881 -4.914 1.00 0.38 H new ATOM 0 HA SER A 43 -4.914 -6.089 -2.427 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.814 -4.970 -4.539 1.00 0.37 H new ATOM 0 HB3 SER A 43 -7.145 -5.135 -2.826 1.00 0.37 H new ATOM 0 HG SER A 43 -5.551 -3.249 -4.173 1.00 1.04 H new ATOM 704 N ALA A 44 -5.841 -7.752 -5.100 1.00 0.37 N ATOM 705 CA ALA A 44 -6.370 -9.025 -5.603 1.00 0.43 C ATOM 706 C ALA A 44 -5.426 -10.180 -5.255 1.00 0.51 C ATOM 707 O ALA A 44 -5.846 -11.192 -4.692 1.00 0.59 O ATOM 708 CB ALA A 44 -6.561 -8.945 -7.124 1.00 0.43 C ATOM 0 H ALA A 44 -5.430 -7.162 -5.823 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.333 -9.212 -5.128 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -6.954 -9.893 -7.492 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.262 -8.145 -7.361 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.602 -8.740 -7.601 1.00 0.43 H new ATOM 714 N ALA A 45 -4.147 -10.015 -5.600 1.00 0.54 N ATOM 715 CA ALA A 45 -3.117 -11.031 -5.343 1.00 0.64 C ATOM 716 C ALA A 45 -2.944 -11.291 -3.841 1.00 0.68 C ATOM 717 O ALA A 45 -2.913 -12.443 -3.402 1.00 0.76 O ATOM 718 CB ALA A 45 -1.783 -10.577 -5.947 1.00 0.69 C ATOM 0 H ALA A 45 -3.794 -9.178 -6.064 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.438 -11.962 -5.810 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.021 -11.332 -5.755 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.898 -10.442 -7.023 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.481 -9.633 -5.493 1.00 0.69 H new ATOM 724 N SER A 46 -2.831 -10.212 -3.062 1.00 0.65 N ATOM 725 CA SER A 46 -2.654 -10.304 -1.607 1.00 0.73 C ATOM 726 C SER A 46 -3.958 -10.748 -0.913 1.00 0.74 C ATOM 727 O SER A 46 -3.922 -11.471 0.086 1.00 0.84 O ATOM 728 CB SER A 46 -2.180 -8.946 -1.058 1.00 0.75 C ATOM 729 OG SER A 46 -1.408 -9.108 0.124 1.00 1.21 O ATOM 0 H SER A 46 -2.859 -9.256 -3.417 1.00 0.65 H new ATOM 0 HA SER A 46 -1.897 -11.059 -1.395 1.00 0.73 H new ATOM 0 HB2 SER A 46 -1.587 -8.432 -1.815 1.00 0.75 H new ATOM 0 HB3 SER A 46 -3.043 -8.315 -0.847 1.00 0.75 H new ATOM 0 HG SER A 46 -1.119 -8.230 0.449 1.00 1.21 H new ATOM 735 N GLY A 47 -5.102 -10.313 -1.449 1.00 0.70 N ATOM 736 CA GLY A 47 -6.416 -10.658 -0.892 1.00 0.74 C ATOM 737 C GLY A 47 -6.806 -9.672 0.206 1.00 0.75 C ATOM 738 O GLY A 47 -6.914 -10.040 1.377 1.00 0.88 O ATOM 0 H GLY A 47 -5.145 -9.716 -2.275 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.167 -10.647 -1.682 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.392 -11.670 -0.488 1.00 0.74 H new ATOM 742 N ILE A 48 -7.010 -8.414 -0.185 1.00 0.67 N ATOM 743 CA ILE A 48 -7.383 -7.343 0.746 1.00 0.72 C ATOM 744 C ILE A 48 -8.878 -7.036 0.601 1.00 0.75 C ATOM 745 O ILE A 48 -9.382 -6.903 -0.515 1.00 0.75 O ATOM 746 CB ILE A 48 -6.540 -6.088 0.457 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.048 -6.446 0.413 1.00 0.78 C ATOM 748 CG2 ILE A 48 -6.783 -4.999 1.505 1.00 0.82 C ATOM 749 CD1 ILE A 48 -4.178 -5.234 0.086 1.00 0.97 C ATOM 0 H ILE A 48 -6.922 -8.107 -1.154 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.189 -7.662 1.770 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.846 -5.700 -0.515 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -4.746 -6.860 1.375 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -4.883 -7.223 -0.334 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.173 -4.127 1.272 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -7.836 -4.717 1.499 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -6.514 -5.377 2.491 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.130 -5.533 0.065 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -4.461 -4.835 -0.888 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.321 -4.467 0.847 1.00 0.97 H new ATOM 761 N PRO A 49 -9.612 -6.919 1.727 1.00 0.84 N ATOM 762 CA PRO A 49 -11.064 -6.628 1.708 1.00 0.93 C ATOM 763 C PRO A 49 -11.386 -5.210 1.213 1.00 0.93 C ATOM 764 O PRO A 49 -11.326 -4.235 1.972 1.00 1.08 O ATOM 765 CB PRO A 49 -11.495 -6.839 3.158 1.00 1.07 C ATOM 766 CG PRO A 49 -10.259 -6.631 3.972 1.00 1.06 C ATOM 767 CD PRO A 49 -9.100 -7.060 3.107 1.00 0.92 C ATOM 0 HA PRO A 49 -11.598 -7.271 1.009 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -12.276 -6.134 3.442 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -11.900 -7.840 3.306 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -10.159 -5.586 4.265 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -10.296 -7.217 4.890 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -8.224 -6.433 3.274 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -8.802 -8.087 3.319 1.00 0.92 H new ATOM 775 N TYR A 50 -11.732 -5.117 -0.071 1.00 0.87 N ATOM 776 CA TYR A 50 -12.080 -3.849 -0.727 1.00 0.91 C ATOM 777 C TYR A 50 -13.436 -3.335 -0.217 1.00 1.12 C ATOM 778 O TYR A 50 -13.593 -2.145 0.063 1.00 1.91 O ATOM 779 CB TYR A 50 -12.091 -4.079 -2.251 1.00 0.92 C ATOM 780 CG TYR A 50 -13.032 -3.192 -3.044 1.00 0.94 C ATOM 781 CD1 TYR A 50 -12.670 -1.896 -3.367 1.00 1.02 C ATOM 782 CD2 TYR A 50 -14.254 -3.690 -3.470 1.00 1.13 C ATOM 783 CE1 TYR A 50 -13.525 -1.102 -4.116 1.00 1.13 C ATOM 784 CE2 TYR A 50 -15.109 -2.897 -4.212 1.00 1.24 C ATOM 785 CZ TYR A 50 -14.741 -1.607 -4.533 1.00 1.17 C ATOM 786 OH TYR A 50 -15.588 -0.825 -5.285 1.00 1.34 O ATOM 0 H TYR A 50 -11.780 -5.924 -0.693 1.00 0.87 H new ATOM 0 HA TYR A 50 -11.342 -3.083 -0.489 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -11.079 -3.933 -2.629 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -12.356 -5.119 -2.441 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -11.720 -1.503 -3.035 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -14.539 -4.702 -3.221 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -13.241 -0.092 -4.372 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -16.062 -3.286 -4.539 1.00 1.24 H new ATOM 0 HH TYR A 50 -15.119 -0.012 -5.567 1.00 1.34 H new ATOM 796 N HIS A 51 -14.392 -4.251 -0.077 1.00 1.28 N ATOM 797 CA HIS A 51 -15.738 -3.938 0.422 1.00 1.53 C ATOM 798 C HIS A 51 -16.261 -5.153 1.201 1.00 1.61 C ATOM 799 O HIS A 51 -15.488 -6.056 1.534 1.00 2.07 O ATOM 800 CB HIS A 51 -16.674 -3.579 -0.759 1.00 2.01 C ATOM 801 CG HIS A 51 -17.069 -2.125 -0.779 1.00 2.54 C ATOM 802 ND1 HIS A 51 -18.218 -1.643 -0.203 1.00 3.19 N ATOM 803 CD2 HIS A 51 -16.461 -1.031 -1.305 1.00 2.89 C ATOM 804 CE1 HIS A 51 -18.318 -0.343 -0.360 1.00 3.87 C ATOM 805 NE2 HIS A 51 -17.257 0.069 -1.034 1.00 3.74 N ATOM 0 H HIS A 51 -14.259 -5.236 -0.306 1.00 1.28 H new ATOM 0 HA HIS A 51 -15.706 -3.074 1.086 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -16.177 -3.827 -1.697 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -17.573 -4.193 -0.702 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -15.523 -1.021 -1.840 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -19.124 0.280 -0.002 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -17.059 1.032 -1.307 1.00 3.74 H new ATOM 813 N SER A 52 -17.565 -5.188 1.488 1.00 1.60 N ATOM 814 CA SER A 52 -18.162 -6.316 2.219 1.00 1.96 C ATOM 815 C SER A 52 -18.397 -7.497 1.269 1.00 1.85 C ATOM 816 O SER A 52 -17.930 -8.611 1.513 1.00 2.45 O ATOM 817 CB SER A 52 -19.487 -5.896 2.875 1.00 2.44 C ATOM 818 OG SER A 52 -19.416 -4.558 3.357 1.00 2.65 O ATOM 0 H SER A 52 -18.226 -4.456 1.229 1.00 1.60 H new ATOM 0 HA SER A 52 -17.469 -6.623 3.003 1.00 1.96 H new ATOM 0 HB2 SER A 52 -20.298 -5.983 2.152 1.00 2.44 H new ATOM 0 HB3 SER A 52 -19.719 -6.571 3.699 1.00 2.44 H new ATOM 0 HG SER A 52 -20.271 -4.313 3.769 1.00 2.65 H new ATOM 824 N GLU A 53 -19.113 -7.230 0.175 1.00 1.45 N ATOM 825 CA GLU A 53 -19.424 -8.234 -0.840 1.00 1.37 C ATOM 826 C GLU A 53 -18.283 -8.301 -1.861 1.00 1.08 C ATOM 827 O GLU A 53 -18.415 -7.829 -2.993 1.00 1.24 O ATOM 828 CB GLU A 53 -20.753 -7.886 -1.542 1.00 1.73 C ATOM 829 CG GLU A 53 -21.789 -7.287 -0.579 1.00 2.39 C ATOM 830 CD GLU A 53 -21.672 -5.763 -0.515 1.00 2.88 C ATOM 831 OE1 GLU A 53 -20.568 -5.228 -0.746 1.00 3.46 O ATOM 832 OE2 GLU A 53 -22.684 -5.096 -0.229 1.00 3.23 O ATOM 0 H GLU A 53 -19.494 -6.307 -0.031 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.531 -9.208 -0.362 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -20.560 -7.178 -2.348 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.165 -8.786 -1.999 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -22.792 -7.564 -0.903 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -21.648 -7.707 0.417 1.00 2.39 H new ATOM 839 N VAL A 54 -17.151 -8.870 -1.443 1.00 0.84 N ATOM 840 CA VAL A 54 -15.970 -8.986 -2.309 1.00 0.66 C ATOM 841 C VAL A 54 -16.176 -10.077 -3.368 1.00 0.55 C ATOM 842 O VAL A 54 -16.008 -9.815 -4.557 1.00 0.49 O ATOM 843 CB VAL A 54 -14.689 -9.266 -1.485 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.494 -8.529 -2.091 1.00 0.77 C ATOM 845 CG2 VAL A 54 -14.868 -8.865 -0.018 1.00 1.34 C ATOM 0 H VAL A 54 -17.024 -9.259 -0.509 1.00 0.84 H new ATOM 0 HA VAL A 54 -15.839 -8.030 -2.816 1.00 0.66 H new ATOM 0 HB VAL A 54 -14.500 -10.339 -1.519 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -12.601 -8.736 -1.501 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -13.338 -8.868 -3.115 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.689 -7.457 -2.090 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -13.950 -9.075 0.531 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -15.092 -7.800 0.043 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.689 -9.434 0.417 1.00 1.34 H new ATOM 855 N PRO A 55 -16.543 -11.319 -2.958 1.00 0.62 N ATOM 856 CA PRO A 55 -16.756 -12.434 -3.889 1.00 0.59 C ATOM 857 C PRO A 55 -18.215 -12.521 -4.356 1.00 0.58 C ATOM 858 O PRO A 55 -19.069 -13.065 -3.650 1.00 0.83 O ATOM 859 CB PRO A 55 -16.368 -13.654 -3.053 1.00 0.76 C ATOM 860 CG PRO A 55 -16.581 -13.260 -1.619 1.00 0.87 C ATOM 861 CD PRO A 55 -16.774 -11.758 -1.569 1.00 0.83 C ATOM 0 HA PRO A 55 -16.178 -12.334 -4.807 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -16.980 -14.517 -3.315 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -15.330 -13.934 -3.230 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -17.453 -13.770 -1.209 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -15.725 -13.555 -1.012 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -17.776 -11.496 -1.230 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -16.071 -11.289 -0.881 1.00 0.83 H new ATOM 869 N VAL A 56 -18.493 -11.990 -5.542 1.00 0.41 N ATOM 870 CA VAL A 56 -19.845 -12.013 -6.107 1.00 0.43 C ATOM 871 C VAL A 56 -19.962 -13.163 -7.108 1.00 0.42 C ATOM 872 O VAL A 56 -19.117 -13.313 -7.992 1.00 0.43 O ATOM 873 CB VAL A 56 -20.162 -10.672 -6.785 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.516 -10.732 -7.496 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.147 -9.532 -5.765 1.00 0.63 C ATOM 0 H VAL A 56 -17.799 -11.536 -6.136 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.567 -12.167 -5.305 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.389 -10.479 -7.529 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.721 -9.772 -7.970 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.494 -11.514 -8.255 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.299 -10.953 -6.770 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.374 -8.592 -6.267 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -20.895 -9.722 -4.996 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.161 -9.469 -5.305 1.00 0.63 H new ATOM 885 N SER A 57 -21.005 -13.978 -6.959 1.00 0.47 N ATOM 886 CA SER A 57 -21.240 -15.122 -7.835 1.00 0.48 C ATOM 887 C SER A 57 -21.534 -14.678 -9.273 1.00 0.46 C ATOM 888 O SER A 57 -22.291 -13.734 -9.496 1.00 0.59 O ATOM 889 CB SER A 57 -22.406 -15.930 -7.287 1.00 0.61 C ATOM 890 OG SER A 57 -22.151 -16.355 -5.953 1.00 0.91 O ATOM 0 H SER A 57 -21.709 -13.864 -6.229 1.00 0.47 H new ATOM 0 HA SER A 57 -20.339 -15.734 -7.861 1.00 0.48 H new ATOM 0 HB2 SER A 57 -23.314 -15.328 -7.313 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.581 -16.799 -7.922 1.00 0.61 H new ATOM 0 HG SER A 57 -22.916 -16.871 -5.622 1.00 0.91 H new ATOM 896 N LEU A 58 -20.929 -15.371 -10.236 1.00 0.44 N ATOM 897 CA LEU A 58 -21.104 -15.079 -11.660 1.00 0.49 C ATOM 898 C LEU A 58 -21.666 -16.318 -12.369 1.00 0.60 C ATOM 899 O LEU A 58 -21.129 -16.775 -13.380 1.00 0.89 O ATOM 900 CB LEU A 58 -19.747 -14.667 -12.255 1.00 0.67 C ATOM 901 CG LEU A 58 -19.908 -13.893 -13.565 1.00 0.70 C ATOM 902 CD1 LEU A 58 -20.343 -12.453 -13.298 1.00 0.60 C ATOM 903 CD2 LEU A 58 -18.604 -13.918 -14.362 1.00 0.86 C ATOM 0 H LEU A 58 -20.301 -16.154 -10.051 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.809 -14.259 -11.797 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.207 -14.053 -11.535 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -19.143 -15.557 -12.431 1.00 0.67 H new ATOM 0 HG LEU A 58 -20.686 -14.379 -14.154 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -20.450 -11.924 -14.245 1.00 0.60 H new ATOM 0 HD12 LEU A 58 -21.298 -12.453 -12.772 1.00 0.60 H new ATOM 0 HD13 LEU A 58 -19.592 -11.953 -12.686 1.00 0.60 H new ATOM 0 HD21 LEU A 58 -18.735 -13.363 -15.291 1.00 0.86 H new ATOM 0 HD22 LEU A 58 -17.809 -13.459 -13.774 1.00 0.86 H new ATOM 0 HD23 LEU A 58 -18.337 -14.950 -14.590 1.00 0.86 H new ATOM 915 N LYS A 59 -22.757 -16.860 -11.824 1.00 0.70 N ATOM 916 CA LYS A 59 -23.408 -18.048 -12.379 1.00 0.90 C ATOM 917 C LYS A 59 -24.582 -17.635 -13.266 1.00 0.87 C ATOM 918 O LYS A 59 -25.585 -17.111 -12.773 1.00 0.95 O ATOM 919 CB LYS A 59 -23.885 -18.951 -11.236 1.00 1.13 C ATOM 920 CG LYS A 59 -24.296 -20.337 -11.744 1.00 1.41 C ATOM 921 CD LYS A 59 -24.334 -21.354 -10.603 1.00 1.78 C ATOM 922 CE LYS A 59 -24.669 -22.755 -11.114 1.00 2.18 C ATOM 923 NZ LYS A 59 -24.571 -23.771 -10.030 1.00 2.83 N ATOM 0 H LYS A 59 -23.212 -16.490 -10.990 1.00 0.70 H new ATOM 0 HA LYS A 59 -22.695 -18.601 -12.990 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -23.090 -19.055 -10.498 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -24.730 -18.483 -10.731 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -25.277 -20.278 -12.216 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -23.594 -20.670 -12.509 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -23.369 -21.371 -10.097 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -25.075 -21.047 -9.865 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -25.677 -22.760 -11.529 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -23.990 -23.020 -11.924 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -24.805 -24.710 -10.412 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -23.602 -23.783 -9.652 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -25.237 -23.531 -9.268 1.00 2.83 H new ATOM 937 N GLU A 60 -24.439 -17.871 -14.578 1.00 0.89 N ATOM 938 CA GLU A 60 -25.465 -17.535 -15.583 1.00 0.93 C ATOM 939 C GLU A 60 -25.757 -16.028 -15.599 1.00 0.71 C ATOM 940 O GLU A 60 -26.905 -15.600 -15.452 1.00 0.82 O ATOM 941 CB GLU A 60 -26.756 -18.329 -15.329 1.00 1.20 C ATOM 942 CG GLU A 60 -26.499 -19.841 -15.339 1.00 1.43 C ATOM 943 CD GLU A 60 -27.815 -20.610 -15.304 1.00 1.80 C ATOM 944 OE1 GLU A 60 -28.865 -20.027 -15.653 1.00 2.04 O ATOM 945 OE2 GLU A 60 -27.804 -21.795 -14.933 1.00 2.33 O ATOM 0 H GLU A 60 -23.605 -18.302 -14.977 1.00 0.89 H new ATOM 0 HA GLU A 60 -25.073 -17.813 -16.562 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -27.180 -18.038 -14.368 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -27.494 -18.079 -16.092 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -25.936 -20.114 -16.232 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -25.888 -20.117 -14.480 1.00 1.43 H new ATOM 952 N ALA A 61 -24.706 -15.231 -15.782 1.00 0.51 N ATOM 953 CA ALA A 61 -24.828 -13.773 -15.823 1.00 0.35 C ATOM 954 C ALA A 61 -25.244 -13.314 -17.219 1.00 0.35 C ATOM 955 O ALA A 61 -24.643 -13.724 -18.218 1.00 0.43 O ATOM 956 CB ALA A 61 -23.494 -13.123 -15.439 1.00 0.31 C ATOM 0 H ALA A 61 -23.753 -15.573 -15.905 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.593 -13.468 -15.109 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.595 -12.038 -15.472 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.216 -13.431 -14.431 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.721 -13.437 -16.140 1.00 0.31 H new ATOM 962 N ILE A 62 -26.250 -12.444 -17.287 1.00 0.34 N ATOM 963 CA ILE A 62 -26.715 -11.911 -18.564 1.00 0.37 C ATOM 964 C ILE A 62 -25.807 -10.752 -18.958 1.00 0.31 C ATOM 965 O ILE A 62 -25.554 -9.853 -18.148 1.00 0.31 O ATOM 966 CB ILE A 62 -28.171 -11.439 -18.474 1.00 0.46 C ATOM 967 CG1 ILE A 62 -29.037 -12.485 -17.758 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.730 -11.146 -19.873 1.00 0.57 C ATOM 969 CD1 ILE A 62 -30.526 -12.228 -17.982 1.00 1.27 C ATOM 0 H ILE A 62 -26.757 -12.094 -16.474 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.676 -12.697 -19.318 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.196 -10.517 -17.892 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.780 -13.481 -18.120 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.821 -12.468 -16.690 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.764 -10.812 -19.789 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -28.134 -10.366 -20.347 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.689 -12.052 -20.478 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -31.109 -12.988 -17.461 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.787 -11.242 -17.597 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.746 -12.270 -19.049 1.00 1.27 H new ATOM 981 N CYS A 63 -25.301 -10.792 -20.183 1.00 0.34 N ATOM 982 CA CYS A 63 -24.395 -9.765 -20.685 1.00 0.33 C ATOM 983 C CYS A 63 -24.937 -9.147 -21.981 1.00 0.34 C ATOM 984 O CYS A 63 -25.081 -9.833 -22.997 1.00 0.52 O ATOM 985 CB CYS A 63 -23.003 -10.385 -20.901 1.00 0.37 C ATOM 986 SG CYS A 63 -21.673 -9.229 -20.544 1.00 0.53 S ATOM 0 H CYS A 63 -25.505 -11.532 -20.854 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.315 -8.961 -19.953 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.897 -11.264 -20.265 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.917 -10.726 -21.933 1.00 0.37 H new ATOM 0 HG CYS A 63 -20.713 -9.850 -19.926 1.00 0.53 H new ATOM 992 N GLU A 64 -25.215 -7.841 -21.934 1.00 0.26 N ATOM 993 CA GLU A 64 -25.721 -7.086 -23.090 1.00 0.29 C ATOM 994 C GLU A 64 -24.753 -5.933 -23.367 1.00 0.24 C ATOM 995 O GLU A 64 -24.134 -5.406 -22.448 1.00 0.36 O ATOM 996 CB GLU A 64 -27.141 -6.564 -22.798 1.00 0.33 C ATOM 997 CG GLU A 64 -27.714 -5.691 -23.929 1.00 0.81 C ATOM 998 CD GLU A 64 -27.764 -6.457 -25.249 1.00 1.41 C ATOM 999 OE1 GLU A 64 -26.736 -6.515 -25.953 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -28.831 -7.019 -25.573 1.00 1.96 O ATOM 0 H GLU A 64 -25.096 -7.275 -21.094 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.782 -7.727 -23.970 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -27.805 -7.412 -22.631 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.125 -5.985 -21.874 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -28.717 -5.357 -23.661 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.101 -4.797 -24.048 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.616 -5.552 -24.627 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.704 -4.471 -25.018 1.00 0.32 C ATOM 1009 C VAL A 65 -24.413 -3.113 -25.009 1.00 0.31 C ATOM 1010 O VAL A 65 -25.519 -2.972 -25.536 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.121 -4.754 -26.412 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -22.037 -3.728 -26.768 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.556 -6.175 -26.481 1.00 0.39 C ATOM 0 H VAL A 65 -25.124 -5.973 -25.405 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.894 -4.432 -24.289 1.00 0.32 H new ATOM 0 HB VAL A 65 -23.927 -4.667 -27.141 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.639 -3.948 -27.759 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.468 -2.727 -26.764 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.233 -3.779 -26.034 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.148 -6.356 -27.475 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -21.766 -6.289 -25.738 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.351 -6.893 -26.279 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.737 -2.117 -24.435 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.224 -0.736 -24.355 1.00 0.31 C ATOM 1025 C ALA A 66 -23.220 0.154 -25.096 1.00 0.34 C ATOM 1026 O ALA A 66 -22.296 0.719 -24.499 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.371 -0.308 -22.887 1.00 0.36 C ATOM 0 H ALA A 66 -22.821 -2.247 -24.005 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.208 -0.645 -24.816 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.733 0.719 -22.842 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -25.081 -0.966 -22.386 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.403 -0.373 -22.390 1.00 0.36 H new ATOM 1033 N LEU A 67 -23.385 0.227 -26.417 1.00 0.55 N ATOM 1034 CA LEU A 67 -22.489 0.993 -27.290 1.00 0.71 C ATOM 1035 C LEU A 67 -22.573 2.499 -27.008 1.00 0.89 C ATOM 1036 O LEU A 67 -21.552 3.153 -26.788 1.00 1.22 O ATOM 1037 CB LEU A 67 -22.834 0.702 -28.767 1.00 0.76 C ATOM 1038 CG LEU A 67 -21.590 0.379 -29.609 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -20.534 1.478 -29.478 1.00 1.39 C ATOM 1040 CD2 LEU A 67 -21.008 -0.984 -29.228 1.00 1.38 C ATOM 0 H LEU A 67 -24.142 -0.242 -26.914 1.00 0.55 H new ATOM 0 HA LEU A 67 -21.465 0.681 -27.086 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -23.530 -0.136 -28.816 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -23.344 1.565 -29.195 1.00 0.76 H new ATOM 0 HG LEU A 67 -21.899 0.334 -30.653 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -19.665 1.222 -30.085 1.00 1.39 H new ATOM 0 HD12 LEU A 67 -20.950 2.425 -29.821 1.00 1.39 H new ATOM 0 HD13 LEU A 67 -20.233 1.571 -28.434 1.00 1.39 H new ATOM 0 HD21 LEU A 67 -20.129 -1.188 -29.839 1.00 1.38 H new ATOM 0 HD22 LEU A 67 -20.725 -0.977 -28.175 1.00 1.38 H new ATOM 0 HD23 LEU A 67 -21.755 -1.759 -29.398 1.00 1.38 H new ATOM 1052 N ASP A 68 -23.789 3.038 -27.031 1.00 0.90 N ATOM 1053 CA ASP A 68 -24.017 4.463 -26.795 1.00 1.14 C ATOM 1054 C ASP A 68 -24.780 4.679 -25.493 1.00 0.87 C ATOM 1055 O ASP A 68 -25.992 4.900 -25.498 1.00 1.00 O ATOM 1056 CB ASP A 68 -24.790 5.077 -27.977 1.00 1.59 C ATOM 1057 CG ASP A 68 -24.948 6.595 -27.818 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -24.312 7.166 -26.910 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -25.705 7.220 -28.598 1.00 2.62 O ATOM 0 H ASP A 68 -24.639 2.505 -27.212 1.00 0.90 H new ATOM 0 HA ASP A 68 -23.050 4.959 -26.710 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -24.266 4.860 -28.908 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -25.774 4.613 -28.050 1.00 1.59 H new ATOM 1064 N TYR A 69 -24.049 4.661 -24.384 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.629 4.914 -23.062 1.00 0.69 C ATOM 1066 C TYR A 69 -24.249 6.342 -22.625 1.00 0.97 C ATOM 1067 O TYR A 69 -24.231 6.658 -21.436 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.124 3.876 -22.047 1.00 0.58 C ATOM 1069 CG TYR A 69 -24.758 4.024 -20.676 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.123 3.840 -20.512 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -23.970 4.335 -19.578 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -26.693 3.966 -19.254 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.544 4.463 -18.323 1.00 0.64 C ATOM 1074 CZ TYR A 69 -25.927 4.310 -18.182 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.473 4.403 -16.920 1.00 0.97 O ATOM 0 H TYR A 69 -23.047 4.473 -24.371 1.00 0.81 H new ATOM 0 HA TYR A 69 -25.714 4.826 -23.109 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -24.328 2.875 -22.428 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -23.042 3.967 -21.952 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -26.742 3.599 -21.364 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -22.907 4.478 -19.701 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -27.751 3.790 -19.124 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -23.929 4.679 -17.462 1.00 0.64 H new ATOM 0 HH TYR A 69 -27.422 4.163 -16.956 1.00 0.97 H new ATOM 1173 N HIS A 74 -17.890 2.309 -24.948 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.677 0.868 -24.744 1.00 0.38 C ATOM 1175 C HIS A 74 -18.140 0.456 -23.345 1.00 0.30 C ATOM 1176 O HIS A 74 -17.325 0.292 -22.430 1.00 0.37 O ATOM 1177 CB HIS A 74 -16.192 0.497 -24.950 1.00 0.64 C ATOM 1178 CG HIS A 74 -15.821 0.303 -26.390 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -14.843 1.026 -27.019 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -16.305 -0.531 -27.344 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -14.724 0.669 -28.272 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -15.608 -0.286 -28.510 1.00 1.53 N ATOM 0 HA HIS A 74 -18.268 0.327 -25.483 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.567 1.282 -24.524 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -15.974 -0.418 -24.400 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -17.094 -1.257 -27.214 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -14.027 1.081 -28.986 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -15.750 -0.760 -29.402 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.456 0.278 -23.191 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.057 -0.135 -21.924 1.00 0.23 C ATOM 1192 C VAL A 75 -20.889 -1.404 -22.158 1.00 0.22 C ATOM 1193 O VAL A 75 -21.356 -1.651 -23.273 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.947 1.003 -21.379 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.537 0.645 -20.012 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.156 2.308 -21.282 1.00 0.31 C ATOM 0 H VAL A 75 -20.132 0.417 -23.942 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.279 -0.347 -21.191 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.770 1.139 -22.080 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.158 1.467 -19.657 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.144 -0.256 -20.102 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.729 0.468 -19.302 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.802 3.097 -20.896 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.309 2.171 -20.610 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.793 2.588 -22.271 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.091 -2.206 -21.115 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.893 -3.429 -21.227 1.00 0.23 C ATOM 1208 C PHE A 76 -22.681 -3.662 -19.936 1.00 0.22 C ATOM 1209 O PHE A 76 -22.203 -3.388 -18.832 1.00 0.27 O ATOM 1210 CB PHE A 76 -21.034 -4.653 -21.611 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.974 -5.054 -20.610 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.715 -4.472 -20.653 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -20.247 -6.034 -19.668 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.735 -4.869 -19.759 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -19.270 -6.425 -18.770 1.00 0.29 C ATOM 1216 CZ PHE A 76 -18.012 -5.845 -18.817 1.00 0.29 C ATOM 0 H PHE A 76 -20.713 -2.034 -20.183 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.606 -3.294 -22.040 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.697 -5.503 -21.769 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.547 -4.447 -22.564 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.499 -3.708 -21.385 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -21.224 -6.493 -19.635 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.755 -4.417 -19.797 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -19.488 -7.183 -18.032 1.00 0.29 H new ATOM 0 HZ PHE A 76 -17.248 -6.154 -18.119 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.902 -4.159 -20.104 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.822 -4.445 -19.001 1.00 0.28 C ATOM 1228 C LYS A 77 -24.548 -5.849 -18.473 1.00 0.31 C ATOM 1229 O LYS A 77 -24.581 -6.814 -19.233 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.275 -4.337 -19.518 1.00 0.36 C ATOM 1231 CG LYS A 77 -27.220 -3.670 -18.513 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.452 -4.534 -17.265 1.00 1.33 C ATOM 1233 CE LYS A 77 -28.811 -5.232 -17.300 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.935 -4.256 -17.360 1.00 1.95 N ATOM 0 H LYS A 77 -24.289 -4.379 -21.022 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.678 -3.729 -18.192 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.283 -3.769 -20.448 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.647 -5.335 -19.751 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -26.806 -2.707 -18.213 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -28.177 -3.469 -18.996 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -26.662 -5.281 -17.189 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.387 -3.910 -16.374 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -28.858 -5.893 -18.165 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -28.921 -5.858 -16.414 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -30.429 -4.239 -16.445 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -29.561 -3.308 -17.570 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -30.601 -4.539 -18.107 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.282 -5.955 -17.172 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.006 -7.242 -16.532 1.00 0.24 C ATOM 1250 C LEU A 78 -24.993 -7.479 -15.392 1.00 0.29 C ATOM 1251 O LEU A 78 -24.967 -6.785 -14.371 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.567 -7.275 -16.007 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.100 -8.696 -15.723 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -22.229 -9.571 -16.969 1.00 0.30 C ATOM 1255 CD2 LEU A 78 -20.661 -8.708 -15.211 1.00 0.86 C ATOM 0 H LEU A 78 -24.252 -5.159 -16.535 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.124 -8.036 -17.269 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -21.903 -6.814 -16.738 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.499 -6.681 -15.095 1.00 0.30 H new ATOM 0 HG LEU A 78 -22.743 -9.108 -14.945 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -21.889 -10.581 -16.741 1.00 0.30 H new ATOM 0 HD12 LEU A 78 -23.272 -9.602 -17.286 1.00 0.30 H new ATOM 0 HD13 LEU A 78 -21.618 -9.155 -17.770 1.00 0.30 H new ATOM 0 HD21 LEU A 78 -20.353 -9.735 -15.016 1.00 0.86 H new ATOM 0 HD22 LEU A 78 -20.004 -8.268 -15.961 1.00 0.86 H new ATOM 0 HD23 LEU A 78 -20.598 -8.129 -14.290 1.00 0.86 H new ATOM 1267 N ARG A 79 -25.858 -8.472 -15.579 1.00 0.31 N ATOM 1268 CA ARG A 79 -26.864 -8.846 -14.587 1.00 0.40 C ATOM 1269 C ARG A 79 -26.562 -10.239 -14.065 1.00 0.45 C ATOM 1270 O ARG A 79 -26.298 -11.154 -14.848 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.268 -8.834 -15.219 1.00 0.50 C ATOM 1272 CG ARG A 79 -29.352 -8.506 -14.184 1.00 1.11 C ATOM 1273 CD ARG A 79 -30.500 -9.522 -14.223 1.00 1.51 C ATOM 1274 NE ARG A 79 -31.688 -8.964 -13.565 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.403 -9.650 -12.670 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -32.826 -10.875 -12.955 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -32.689 -9.105 -11.496 1.00 2.99 N ATOM 0 H ARG A 79 -25.882 -9.042 -16.425 1.00 0.31 H new ATOM 0 HA ARG A 79 -26.837 -8.127 -13.768 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.299 -8.100 -16.024 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -28.474 -9.806 -15.667 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -28.911 -8.493 -13.187 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -29.744 -7.507 -14.372 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -30.734 -9.779 -15.256 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -30.198 -10.444 -13.725 1.00 1.51 H new ATOM 0 HE ARG A 79 -31.979 -8.015 -13.801 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -32.605 -11.294 -13.859 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -33.372 -11.398 -12.271 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -32.363 -8.163 -11.278 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -33.235 -9.627 -10.811 1.00 2.99 H new ATOM 1291 N LEU A 80 -26.620 -10.414 -12.750 1.00 0.54 N ATOM 1292 CA LEU A 80 -26.375 -11.725 -12.140 1.00 0.68 C ATOM 1293 C LEU A 80 -27.553 -12.663 -12.451 1.00 0.84 C ATOM 1294 O LEU A 80 -28.539 -12.238 -13.063 1.00 1.06 O ATOM 1295 CB LEU A 80 -26.192 -11.563 -10.626 1.00 0.82 C ATOM 1296 CG LEU A 80 -24.903 -10.800 -10.295 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -24.714 -10.688 -8.783 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -23.689 -11.468 -10.941 1.00 1.26 C ATOM 0 H LEU A 80 -26.833 -9.671 -12.084 1.00 0.54 H new ATOM 0 HA LEU A 80 -25.465 -12.161 -12.553 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -27.048 -11.032 -10.210 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -26.166 -12.545 -10.154 1.00 0.82 H new ATOM 0 HG LEU A 80 -24.994 -9.794 -10.705 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -23.794 -10.143 -8.571 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -25.560 -10.155 -8.349 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -24.653 -11.686 -8.349 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -22.789 -10.907 -10.690 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -23.595 -12.489 -10.570 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -23.816 -11.485 -12.023 1.00 1.26 H new ATOM 1310 N SER A 81 -27.454 -13.934 -12.034 1.00 1.01 N ATOM 1311 CA SER A 81 -28.507 -14.939 -12.266 1.00 1.23 C ATOM 1312 C SER A 81 -29.901 -14.381 -11.931 1.00 1.40 C ATOM 1313 O SER A 81 -30.838 -14.507 -12.722 1.00 1.92 O ATOM 1314 CB SER A 81 -28.206 -16.207 -11.443 1.00 1.52 C ATOM 1315 OG SER A 81 -27.042 -16.047 -10.631 1.00 2.18 O ATOM 0 H SER A 81 -26.645 -14.295 -11.528 1.00 1.01 H new ATOM 0 HA SER A 81 -28.511 -15.197 -13.325 1.00 1.23 H new ATOM 0 HB2 SER A 81 -29.062 -16.441 -10.810 1.00 1.52 H new ATOM 0 HB3 SER A 81 -28.066 -17.053 -12.116 1.00 1.52 H new ATOM 0 HG SER A 81 -26.254 -16.358 -11.124 1.00 2.18 H new ATOM 1321 N ASP A 82 -30.006 -13.732 -10.777 1.00 1.33 N ATOM 1322 CA ASP A 82 -31.255 -13.106 -10.335 1.00 1.76 C ATOM 1323 C ASP A 82 -30.987 -12.302 -9.061 1.00 1.31 C ATOM 1324 O ASP A 82 -31.586 -12.550 -8.011 1.00 1.74 O ATOM 1325 CB ASP A 82 -32.359 -14.163 -10.100 1.00 2.76 C ATOM 1326 CG ASP A 82 -33.749 -13.532 -10.218 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -33.941 -12.666 -11.095 1.00 3.98 O ATOM 1328 OD2 ASP A 82 -34.648 -13.898 -9.426 1.00 3.77 O ATOM 0 H ASP A 82 -29.233 -13.623 -10.121 1.00 1.33 H new ATOM 0 HA ASP A 82 -31.614 -12.436 -11.117 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -32.258 -14.969 -10.827 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -32.239 -14.607 -9.112 1.00 2.76 H new ATOM 1333 N GLY A 83 -30.065 -11.340 -9.155 1.00 1.09 N ATOM 1334 CA GLY A 83 -29.700 -10.508 -8.012 1.00 1.53 C ATOM 1335 C GLY A 83 -29.173 -9.149 -8.458 1.00 1.31 C ATOM 1336 O GLY A 83 -29.822 -8.452 -9.271 1.00 1.88 O ATOM 0 H GLY A 83 -29.559 -11.120 -10.013 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -30.569 -10.370 -7.369 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -28.941 -11.017 -7.417 1.00 1.53 H new ATOM 1340 N ASN A 84 -28.001 -8.772 -7.899 1.00 0.93 N ATOM 1341 CA ASN A 84 -27.342 -7.481 -8.182 1.00 0.71 C ATOM 1342 C ASN A 84 -27.126 -7.277 -9.686 1.00 0.62 C ATOM 1343 O ASN A 84 -26.940 -8.240 -10.441 1.00 0.65 O ATOM 1344 CB ASN A 84 -25.985 -7.394 -7.453 1.00 0.84 C ATOM 1345 CG ASN A 84 -26.109 -7.793 -5.978 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -26.449 -8.937 -5.664 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -25.820 -6.872 -5.073 1.00 1.32 N ATOM 0 H ASN A 84 -27.487 -9.356 -7.239 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.002 -6.694 -7.818 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -25.264 -8.045 -7.947 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -25.598 -6.378 -7.524 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -25.875 -7.098 -4.080 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -25.542 -5.936 -5.369 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.163 -6.017 -10.117 1.00 0.59 N ATOM 1355 CA GLU A 85 -26.985 -5.678 -11.531 1.00 0.55 C ATOM 1356 C GLU A 85 -26.188 -4.374 -11.654 1.00 0.47 C ATOM 1357 O GLU A 85 -26.416 -3.417 -10.904 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.380 -5.607 -12.208 1.00 0.70 C ATOM 1359 CG GLU A 85 -28.715 -4.236 -12.800 1.00 1.16 C ATOM 1360 CD GLU A 85 -30.107 -4.270 -13.421 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -31.095 -4.395 -12.671 1.00 1.39 O ATOM 1362 OE2 GLU A 85 -30.217 -4.153 -14.659 1.00 1.43 O ATOM 0 H GLU A 85 -27.315 -5.213 -9.508 1.00 0.59 H new ATOM 0 HA GLU A 85 -26.408 -6.444 -12.048 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -28.427 -6.355 -13.000 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -29.142 -5.871 -11.475 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -28.672 -3.473 -12.023 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -27.976 -3.965 -13.554 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.228 -4.357 -12.585 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.362 -3.191 -12.799 1.00 0.31 C ATOM 1371 C TYR A 86 -24.008 -3.016 -14.282 1.00 0.29 C ATOM 1372 O TYR A 86 -24.207 -3.917 -15.100 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.033 -3.352 -12.028 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.126 -3.969 -10.643 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.448 -5.309 -10.506 1.00 0.53 C ATOM 1376 CD2 TYR A 86 -22.952 -3.186 -9.505 1.00 0.57 C ATOM 1377 CE1 TYR A 86 -23.585 -5.871 -9.251 1.00 0.62 C ATOM 1378 CE2 TYR A 86 -23.103 -3.749 -8.248 1.00 0.67 C ATOM 1379 CZ TYR A 86 -23.174 -5.096 -8.114 1.00 0.63 C ATOM 1380 OH TYR A 86 -23.582 -5.636 -6.874 1.00 0.77 O ATOM 0 H TYR A 86 -25.030 -5.142 -13.206 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.917 -2.323 -12.443 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.361 -3.963 -12.630 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.571 -2.369 -11.934 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.593 -5.919 -11.386 1.00 0.53 H new ATOM 0 HD2 TYR A 86 -22.699 -2.140 -9.602 1.00 0.57 H new ATOM 0 HE1 TYR A 86 -23.990 -6.865 -9.129 1.00 0.62 H new ATOM 0 HE2 TYR A 86 -23.164 -3.115 -7.376 1.00 0.67 H new ATOM 0 HH TYR A 86 -23.268 -5.059 -6.147 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.404 -1.863 -14.588 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.913 -1.543 -15.933 1.00 0.23 C ATOM 1392 C LEU A 87 -21.394 -1.539 -15.864 1.00 0.22 C ATOM 1393 O LEU A 87 -20.818 -0.853 -15.010 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.376 -0.160 -16.420 1.00 0.26 C ATOM 1395 CG LEU A 87 -24.879 0.050 -16.289 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.286 1.355 -16.969 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.642 -1.113 -16.906 1.00 0.38 C ATOM 0 H LEU A 87 -23.241 -1.122 -13.907 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.306 -2.283 -16.631 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -22.857 0.611 -15.851 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.088 -0.034 -17.464 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.126 0.104 -15.229 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.362 1.497 -16.870 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -24.766 2.189 -16.498 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.021 1.313 -18.025 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.713 -0.942 -16.801 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.389 -1.194 -17.963 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.371 -2.037 -16.396 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.745 -2.289 -16.742 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.286 -2.361 -16.764 1.00 0.19 C ATOM 1411 C PHE A 88 -18.758 -1.659 -18.013 1.00 0.20 C ATOM 1412 O PHE A 88 -19.250 -1.885 -19.117 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.832 -3.817 -16.706 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.901 -4.386 -15.304 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.935 -4.058 -14.369 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.927 -5.248 -14.958 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -17.995 -4.592 -13.093 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -19.989 -5.780 -13.683 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.033 -5.401 -12.729 1.00 0.22 C ATOM 0 H PHE A 88 -21.205 -2.859 -17.452 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.880 -1.852 -15.890 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.455 -4.416 -17.370 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.809 -3.891 -17.076 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.133 -3.385 -14.635 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.682 -5.506 -15.686 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.215 -4.367 -12.380 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.768 -6.482 -13.424 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.118 -5.748 -11.710 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.773 -0.782 -17.824 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.188 -0.003 -18.924 1.00 0.26 C ATOM 1431 C GLN A 89 -15.686 -0.272 -19.034 1.00 0.22 C ATOM 1432 O GLN A 89 -14.964 -0.258 -18.029 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.488 1.491 -18.685 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.351 2.432 -19.110 1.00 0.52 C ATOM 1435 CD GLN A 89 -16.710 3.875 -18.759 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -16.074 4.493 -17.905 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -17.732 4.417 -19.407 1.00 1.63 N ATOM 0 H GLN A 89 -17.358 -0.589 -16.912 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.632 -0.303 -19.873 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.392 1.761 -19.230 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -17.696 1.644 -17.626 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -15.425 2.147 -18.610 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -16.175 2.343 -20.182 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -18.236 3.875 -20.109 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -18.014 5.376 -19.204 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.232 -0.494 -20.267 1.00 0.22 N ATOM 1447 CA ALA A 90 -13.820 -0.749 -20.567 1.00 0.24 C ATOM 1448 C ALA A 90 -13.262 0.394 -21.419 1.00 0.27 C ATOM 1449 O ALA A 90 -14.021 1.156 -22.027 1.00 0.32 O ATOM 1450 CB ALA A 90 -13.677 -2.088 -21.298 1.00 0.29 C ATOM 0 H ALA A 90 -15.834 -0.502 -21.090 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.253 -0.801 -19.637 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -12.625 -2.272 -21.518 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.061 -2.890 -20.667 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.243 -2.056 -22.229 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.936 0.525 -21.450 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.281 1.598 -22.216 1.00 0.44 C ATOM 1458 C LYS A 91 -10.981 1.176 -23.659 1.00 0.49 C ATOM 1459 O LYS A 91 -10.960 2.024 -24.552 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.986 2.052 -21.518 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.164 0.875 -20.978 1.00 1.26 C ATOM 1462 CD LYS A 91 -9.379 0.680 -19.473 1.00 1.43 C ATOM 1463 CE LYS A 91 -8.306 -0.213 -18.839 1.00 1.86 C ATOM 1464 NZ LYS A 91 -7.694 -1.149 -19.824 1.00 2.29 N ATOM 0 H LYS A 91 -11.292 -0.093 -20.957 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.979 2.434 -22.254 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.379 2.622 -22.221 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -10.236 2.723 -20.696 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.442 -0.037 -21.507 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -8.106 1.048 -21.176 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -9.377 1.652 -18.980 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -10.361 0.239 -19.303 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -7.527 0.413 -18.403 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -8.748 -0.785 -18.024 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -7.580 -2.086 -19.388 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -8.311 -1.227 -20.658 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -6.763 -0.787 -20.115 1.00 2.29 H new ATOM 1478 N ASP A 92 -10.738 -0.119 -23.887 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.426 -0.628 -25.238 1.00 0.66 C ATOM 1480 C ASP A 92 -11.550 -1.529 -25.762 1.00 0.59 C ATOM 1481 O ASP A 92 -12.211 -2.236 -24.995 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.099 -1.405 -25.206 1.00 0.84 C ATOM 1483 CG ASP A 92 -8.538 -1.605 -26.615 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -7.798 -0.725 -27.102 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -8.844 -2.640 -27.244 1.00 2.01 O ATOM 0 H ASP A 92 -10.750 -0.835 -23.161 1.00 0.49 H new ATOM 0 HA ASP A 92 -10.333 0.223 -25.913 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.374 -0.866 -24.597 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.254 -2.375 -24.733 1.00 0.84 H new ATOM 1490 N ASP A 93 -11.734 -1.507 -27.084 1.00 0.62 N ATOM 1491 CA ASP A 93 -12.749 -2.315 -27.791 1.00 0.63 C ATOM 1492 C ASP A 93 -12.526 -3.809 -27.533 1.00 0.49 C ATOM 1493 O ASP A 93 -13.472 -4.559 -27.268 1.00 0.54 O ATOM 1494 CB ASP A 93 -12.660 -2.022 -29.305 1.00 0.83 C ATOM 1495 CG ASP A 93 -13.765 -2.722 -30.107 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -13.811 -3.967 -30.112 1.00 2.13 O ATOM 1497 OD2 ASP A 93 -14.611 -2.029 -30.707 1.00 2.21 O ATOM 0 H ASP A 93 -11.178 -0.922 -27.708 1.00 0.62 H new ATOM 0 HA ASP A 93 -13.739 -2.050 -27.420 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -12.724 -0.946 -29.468 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -11.687 -2.343 -29.677 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.261 -4.231 -27.598 1.00 0.41 N ATOM 1503 CA GLU A 94 -10.889 -5.630 -27.372 1.00 0.41 C ATOM 1504 C GLU A 94 -11.129 -6.030 -25.919 1.00 0.36 C ATOM 1505 O GLU A 94 -11.618 -7.124 -25.648 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.422 -5.853 -27.738 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.172 -5.552 -29.219 1.00 1.21 C ATOM 1508 CD GLU A 94 -7.814 -6.084 -29.646 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -7.675 -7.312 -29.811 1.00 2.59 O ATOM 1510 OE2 GLU A 94 -6.880 -5.274 -29.826 1.00 2.43 O ATOM 0 H GLU A 94 -10.472 -3.619 -27.807 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.515 -6.254 -28.009 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -8.789 -5.214 -27.122 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -9.142 -6.884 -27.521 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -9.955 -6.006 -29.826 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -9.219 -4.477 -29.391 1.00 1.21 H new ATOM 1517 N GLU A 95 -10.800 -5.132 -24.989 1.00 0.31 N ATOM 1518 CA GLU A 95 -10.993 -5.385 -23.555 1.00 0.29 C ATOM 1519 C GLU A 95 -12.475 -5.641 -23.253 1.00 0.24 C ATOM 1520 O GLU A 95 -12.818 -6.617 -22.586 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.481 -4.198 -22.732 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.190 -4.606 -21.285 1.00 0.42 C ATOM 1523 CD GLU A 95 -9.655 -3.420 -20.497 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.166 -2.296 -20.679 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -8.710 -3.604 -19.704 1.00 1.30 O ATOM 0 H GLU A 95 -10.397 -4.219 -25.201 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.423 -6.272 -23.279 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.575 -3.800 -23.189 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.222 -3.398 -22.744 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -11.100 -4.982 -20.816 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.464 -5.419 -21.269 1.00 0.42 H new ATOM 1532 N MET A 96 -13.345 -4.772 -23.778 1.00 0.24 N ATOM 1533 CA MET A 96 -14.800 -4.901 -23.595 1.00 0.22 C ATOM 1534 C MET A 96 -15.297 -6.246 -24.150 1.00 0.22 C ATOM 1535 O MET A 96 -16.083 -6.943 -23.511 1.00 0.23 O ATOM 1536 CB MET A 96 -15.516 -3.745 -24.305 1.00 0.26 C ATOM 1537 CG MET A 96 -16.956 -3.585 -23.812 1.00 0.39 C ATOM 1538 SD MET A 96 -17.999 -2.720 -25.000 1.00 0.94 S ATOM 1539 CE MET A 96 -18.406 -4.057 -26.138 1.00 0.77 C ATOM 0 H MET A 96 -13.067 -3.965 -24.337 1.00 0.24 H new ATOM 0 HA MET A 96 -15.023 -4.863 -22.529 1.00 0.22 H new ATOM 0 HB2 MET A 96 -14.968 -2.818 -24.136 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.517 -3.923 -25.380 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.379 -4.569 -23.610 1.00 0.39 H new ATOM 0 HG3 MET A 96 -16.955 -3.039 -22.869 1.00 0.39 H new ATOM 0 HE1 MET A 96 -18.782 -3.638 -27.072 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.513 -4.648 -26.339 1.00 0.77 H new ATOM 0 HE3 MET A 96 -19.170 -4.694 -25.692 1.00 0.77 H new ATOM 1549 N ASN A 97 -14.809 -6.601 -25.342 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.168 -7.861 -26.011 1.00 0.28 C ATOM 1551 C ASN A 97 -14.708 -9.069 -25.175 1.00 0.26 C ATOM 1552 O ASN A 97 -15.470 -10.014 -24.957 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.517 -7.882 -27.405 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.093 -8.980 -28.305 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -15.971 -9.745 -27.905 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -14.599 -9.046 -29.532 1.00 1.24 N ATOM 0 H ASN A 97 -14.155 -6.026 -25.872 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.251 -7.926 -26.114 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -14.659 -6.913 -27.883 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.442 -8.031 -27.298 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -14.946 -9.749 -30.184 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -13.872 -8.393 -29.825 1.00 1.24 H new ATOM 1563 N THR A 98 -13.462 -9.020 -24.696 1.00 0.25 N ATOM 1564 CA THR A 98 -12.885 -10.097 -23.879 1.00 0.27 C ATOM 1565 C THR A 98 -13.641 -10.262 -22.547 1.00 0.23 C ATOM 1566 O THR A 98 -13.837 -11.386 -22.084 1.00 0.27 O ATOM 1567 CB THR A 98 -11.393 -9.813 -23.620 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.751 -9.425 -24.827 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.680 -11.039 -23.050 1.00 0.39 C ATOM 0 H THR A 98 -12.827 -8.239 -24.861 1.00 0.25 H new ATOM 0 HA THR A 98 -12.983 -11.032 -24.430 1.00 0.27 H new ATOM 0 HB THR A 98 -11.336 -9.005 -22.890 1.00 0.31 H new ATOM 0 HG1 THR A 98 -10.814 -8.453 -24.933 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.630 -10.803 -22.880 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.145 -11.325 -22.107 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.756 -11.865 -23.757 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.072 -9.148 -21.942 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.814 -9.187 -20.670 1.00 0.20 C ATOM 1579 C TRP A 99 -16.151 -9.915 -20.855 1.00 0.21 C ATOM 1580 O TRP A 99 -16.469 -10.848 -20.114 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.067 -7.758 -20.149 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.928 -7.197 -19.333 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.185 -6.086 -19.626 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.402 -7.713 -18.085 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.247 -5.910 -18.649 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.353 -6.871 -17.697 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.718 -8.795 -17.262 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.620 -7.084 -16.542 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -12.990 -9.014 -16.098 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.952 -8.164 -15.741 1.00 0.29 C ATOM 0 H TRP A 99 -13.921 -8.209 -22.310 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.212 -9.728 -19.940 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.253 -7.099 -20.997 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.972 -7.758 -19.541 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.319 -5.451 -20.490 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.559 -5.157 -18.637 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.526 -9.460 -17.529 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.809 -6.424 -16.272 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.235 -9.854 -15.465 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.399 -8.346 -14.831 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.922 -9.483 -21.855 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.231 -10.074 -22.164 1.00 0.24 C ATOM 1603 C ILE A 100 -18.099 -11.579 -22.455 1.00 0.28 C ATOM 1604 O ILE A 100 -18.881 -12.392 -21.948 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.859 -9.342 -23.362 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.217 -7.900 -22.984 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.102 -10.078 -23.879 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.551 -7.073 -24.222 1.00 0.29 C ATOM 0 H ILE A 100 -16.660 -8.716 -22.474 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.882 -9.960 -21.297 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.120 -9.324 -24.163 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.068 -7.900 -22.303 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.383 -7.443 -22.452 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.521 -9.534 -24.726 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.824 -11.083 -24.195 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.845 -10.140 -23.084 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -19.801 -6.055 -23.923 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.690 -7.054 -24.890 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.401 -7.518 -24.739 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.108 -11.946 -23.268 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.861 -13.347 -23.634 1.00 0.35 C ATOM 1622 C GLN A 101 -16.384 -14.168 -22.429 1.00 0.36 C ATOM 1623 O GLN A 101 -16.815 -15.308 -22.241 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.822 -13.414 -24.756 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.327 -12.724 -26.028 1.00 0.48 C ATOM 1626 CD GLN A 101 -16.848 -13.751 -27.030 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -17.749 -14.533 -26.723 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -16.265 -13.768 -28.217 1.00 1.76 N ATOM 0 H GLN A 101 -16.455 -11.287 -23.691 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.802 -13.776 -23.979 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.897 -12.941 -24.426 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.587 -14.456 -24.974 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -17.120 -12.021 -25.775 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -15.520 -12.146 -26.479 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -15.522 -13.102 -28.430 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -16.558 -14.447 -28.919 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.502 -13.583 -21.610 1.00 0.32 N ATOM 1638 CA ALA A 102 -14.966 -14.257 -20.415 1.00 0.37 C ATOM 1639 C ALA A 102 -16.094 -14.581 -19.434 1.00 0.38 C ATOM 1640 O ALA A 102 -16.188 -15.703 -18.932 1.00 0.48 O ATOM 1641 CB ALA A 102 -13.914 -13.370 -19.737 1.00 0.38 C ATOM 0 H ALA A 102 -15.141 -12.640 -21.752 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.495 -15.191 -20.723 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.524 -13.878 -18.855 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.099 -13.175 -20.434 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.371 -12.426 -19.440 1.00 0.38 H new ATOM 1647 N ILE A 103 -16.961 -13.596 -19.188 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.103 -13.761 -18.282 1.00 0.38 C ATOM 1649 C ILE A 103 -19.064 -14.834 -18.817 1.00 0.47 C ATOM 1650 O ILE A 103 -19.554 -15.676 -18.060 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.827 -12.412 -18.115 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -17.907 -11.392 -17.425 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.130 -12.562 -17.320 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.237 -9.953 -17.824 1.00 0.35 C ATOM 0 H ILE A 103 -16.894 -12.668 -19.607 1.00 0.33 H new ATOM 0 HA ILE A 103 -17.743 -14.091 -17.308 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.081 -12.052 -19.112 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -17.997 -11.497 -16.344 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -16.870 -11.609 -17.681 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.611 -11.589 -17.224 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.798 -13.247 -17.842 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -19.908 -12.957 -16.329 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.561 -9.269 -17.311 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -18.121 -9.838 -18.902 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.265 -9.724 -17.544 1.00 0.35 H new ATOM 1666 N SER A 104 -19.318 -14.810 -20.129 1.00 0.53 N ATOM 1667 CA SER A 104 -20.212 -15.780 -20.770 1.00 0.66 C ATOM 1668 C SER A 104 -19.623 -17.203 -20.765 1.00 0.72 C ATOM 1669 O SER A 104 -20.338 -18.171 -21.032 1.00 0.89 O ATOM 1670 CB SER A 104 -20.501 -15.331 -22.204 1.00 0.81 C ATOM 1671 OG SER A 104 -21.033 -14.008 -22.218 1.00 1.05 O ATOM 0 H SER A 104 -18.915 -14.127 -20.770 1.00 0.53 H new ATOM 0 HA SER A 104 -21.138 -15.816 -20.197 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.585 -15.367 -22.794 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.207 -16.018 -22.671 1.00 0.81 H new ATOM 0 HG SER A 104 -20.315 -13.365 -22.042 1.00 1.05 H new ATOM 1677 N SER A 105 -18.325 -17.326 -20.457 1.00 0.80 N ATOM 1678 CA SER A 105 -17.645 -18.630 -20.413 1.00 1.13 C ATOM 1679 C SER A 105 -17.324 -19.041 -18.963 1.00 1.23 C ATOM 1680 O SER A 105 -16.471 -19.903 -18.735 1.00 1.61 O ATOM 1681 CB SER A 105 -16.352 -18.559 -21.236 1.00 1.48 C ATOM 1682 OG SER A 105 -16.591 -17.950 -22.504 1.00 1.63 O ATOM 0 H SER A 105 -17.721 -16.535 -20.233 1.00 0.80 H new ATOM 0 HA SER A 105 -18.310 -19.382 -20.836 1.00 1.13 H new ATOM 0 HB2 SER A 105 -15.599 -17.990 -20.690 1.00 1.48 H new ATOM 0 HB3 SER A 105 -15.951 -19.562 -21.379 1.00 1.48 H new ATOM 0 HG SER A 105 -16.360 -16.999 -22.459 1.00 1.63 H new ATOM 1688 N ALA A 106 -18.004 -18.425 -17.990 1.00 1.29 N ATOM 1689 CA ALA A 106 -17.788 -18.728 -16.568 1.00 1.59 C ATOM 1690 C ALA A 106 -18.619 -19.942 -16.146 1.00 2.40 C ATOM 1691 O ALA A 106 -18.079 -20.832 -15.455 1.00 3.00 O ATOM 1692 CB ALA A 106 -18.167 -17.516 -15.714 1.00 1.90 C ATOM 1693 OXT ALA A 106 -19.811 -20.006 -16.509 1.00 3.05 O ATOM 0 H ALA A 106 -18.712 -17.711 -18.161 1.00 1.29 H new ATOM 0 HA ALA A 106 -16.733 -18.959 -16.418 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -18.005 -17.748 -14.661 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -17.550 -16.664 -15.998 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -19.217 -17.272 -15.874 1.00 1.90 H new