USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=24 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 97 ASN : amide:sc= 0.455 K(o=0.99,f=-0.38) USER MOD Set 1.2: A 101 GLN : amide:sc= 0.536 K(o=0.99,f=0) USER MOD Set 2.1: A 74 HIS : no HE2:sc= -0.794 K(o=-1.2,f=-2.9!) USER MOD Set 2.2: A 96 MET CE :methyl -134:sc= -0.445 (180deg=-1.43!) USER MOD Set 3.1: A 84 ASN : amide:sc= -0.039 X(o=-0.039,f=0.16) USER MOD Set 3.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 9 HIS :FLIP no HD1:sc= 0.148 F(o=-1.5,f=0.39) USER MOD Set 4.2: A 22 SER OG : rot 35:sc= 0.247 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= -0.0577 X(o=-0.058,f=-0.19) USER MOD Single : A 25 ASN : amide:sc= -0.0233 K(o=-0.023,f=-2.5!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -68:sc= 0.485 USER MOD Single : A 31 ASN : amide:sc= 0.257 X(o=0.26,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.208 K(o=-0.21,f=-0.72) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl -110:sc= 0 (180deg=-2.37!) 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+ -133:sc= -0.776 (180deg=-2.98!) USER MOD Single : A 43 SER OG : rot 94:sc= 1.1 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0399 X(o=-0.04,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.00388 USER MOD Single : A 59 LYS NZ :NH3+ 153:sc= -0.133 (180deg=-0.614) USER MOD Single : A 63 CYS SG : rot -17:sc= -1.09! USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 146:sc= 1.29 (180deg=-0.0524) USER MOD Single : A 81 SER OG : rot -81:sc= 1.13 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.253 F(o=-1.6,f=-0.25) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 88:sc= 1.26 USER MOD Single : A 104 SER OG : rot 86:sc= 1.24 USER MOD Single : A 105 SER OG : rot 82:sc= 0.244 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -8.260 -10.434 -15.516 1.00 0.51 N ATOM 21 CA GLU A 2 -8.038 -9.611 -14.322 1.00 0.37 C ATOM 22 C GLU A 2 -7.553 -8.221 -14.738 1.00 0.34 C ATOM 23 O GLU A 2 -6.683 -8.096 -15.605 1.00 0.48 O ATOM 24 CB GLU A 2 -6.982 -10.255 -13.402 1.00 0.53 C ATOM 25 CG GLU A 2 -7.196 -11.768 -13.206 1.00 0.96 C ATOM 26 CD GLU A 2 -6.415 -12.576 -14.240 1.00 1.61 C ATOM 27 OE1 GLU A 2 -5.205 -12.323 -14.411 1.00 2.09 O ATOM 28 OE2 GLU A 2 -7.007 -13.465 -14.887 1.00 2.16 O ATOM 0 HA GLU A 2 -8.981 -9.533 -13.780 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -5.991 -10.085 -13.822 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -7.005 -9.762 -12.430 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -6.881 -12.055 -12.203 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -8.258 -12.001 -13.285 1.00 0.96 H new ATOM 35 N GLY A 3 -8.099 -7.183 -14.110 1.00 0.25 N ATOM 36 CA GLY A 3 -7.710 -5.801 -14.396 1.00 0.28 C ATOM 37 C GLY A 3 -8.761 -4.821 -13.884 1.00 0.22 C ATOM 38 O GLY A 3 -9.704 -5.207 -13.186 1.00 0.22 O ATOM 0 H GLY A 3 -8.819 -7.273 -13.393 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -6.749 -5.586 -13.929 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -7.579 -5.671 -15.470 1.00 0.28 H new ATOM 42 N PHE A 4 -8.582 -3.546 -14.225 1.00 0.24 N ATOM 43 CA PHE A 4 -9.496 -2.480 -13.804 1.00 0.21 C ATOM 44 C PHE A 4 -10.710 -2.398 -14.728 1.00 0.22 C ATOM 45 O PHE A 4 -10.626 -2.708 -15.918 1.00 0.27 O ATOM 46 CB PHE A 4 -8.757 -1.138 -13.775 1.00 0.23 C ATOM 47 CG PHE A 4 -7.955 -0.947 -12.513 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.594 -0.564 -11.346 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.585 -1.162 -12.512 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.867 -0.395 -10.183 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.859 -0.991 -11.347 1.00 0.41 C ATOM 52 CZ PHE A 4 -6.500 -0.609 -10.181 1.00 0.41 C ATOM 0 H PHE A 4 -7.803 -3.221 -14.798 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.854 -2.712 -12.801 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.093 -1.074 -14.637 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.479 -0.327 -13.869 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.661 -0.397 -11.345 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.085 -1.463 -13.421 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -8.367 -0.095 -9.274 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.792 -1.156 -11.347 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.934 -0.478 -9.271 1.00 0.41 H new ATOM 62 N LEU A 5 -11.834 -1.975 -14.161 1.00 0.19 N ATOM 63 CA LEU A 5 -13.094 -1.838 -14.889 1.00 0.21 C ATOM 64 C LEU A 5 -13.962 -0.783 -14.211 1.00 0.20 C ATOM 65 O LEU A 5 -13.998 -0.690 -12.980 1.00 0.21 O ATOM 66 CB LEU A 5 -13.860 -3.175 -14.892 1.00 0.23 C ATOM 67 CG LEU A 5 -13.642 -3.988 -16.167 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.501 -5.252 -16.133 1.00 0.27 C ATOM 69 CD2 LEU A 5 -13.978 -3.163 -17.408 1.00 0.31 C ATOM 0 H LEU A 5 -11.899 -1.715 -13.177 1.00 0.19 H new ATOM 0 HA LEU A 5 -12.871 -1.544 -15.915 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.547 -3.768 -14.032 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -14.925 -2.977 -14.772 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.590 -4.267 -16.218 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.340 -5.826 -17.045 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.224 -5.857 -15.270 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.553 -4.975 -16.059 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -13.814 -3.766 -18.301 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.022 -2.852 -17.367 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.338 -2.281 -17.443 1.00 0.31 H new ATOM 81 N ASN A 6 -14.704 -0.025 -15.006 1.00 0.22 N ATOM 82 CA ASN A 6 -15.619 0.987 -14.471 1.00 0.23 C ATOM 83 C ASN A 6 -16.908 0.275 -14.081 1.00 0.22 C ATOM 84 O ASN A 6 -17.528 -0.373 -14.920 1.00 0.26 O ATOM 85 CB ASN A 6 -15.875 2.093 -15.514 1.00 0.28 C ATOM 86 CG ASN A 6 -15.505 3.473 -14.958 1.00 0.72 C ATOM 87 OD1 ASN A 6 -16.090 3.938 -13.979 1.00 1.49 O ATOM 88 ND2 ASN A 6 -14.535 4.134 -15.578 1.00 1.24 N ATOM 0 H ASN A 6 -14.694 -0.088 -16.024 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.188 1.477 -13.598 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.292 1.891 -16.413 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.925 2.085 -15.807 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -14.253 5.056 -15.246 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -14.071 3.719 -16.386 1.00 1.24 H new ATOM 95 N ARG A 7 -17.271 0.350 -12.804 1.00 0.23 N ATOM 96 CA ARG A 7 -18.457 -0.330 -12.282 1.00 0.24 C ATOM 97 C ARG A 7 -19.492 0.677 -11.781 1.00 0.25 C ATOM 98 O ARG A 7 -19.161 1.630 -11.072 1.00 0.32 O ATOM 99 CB ARG A 7 -18.025 -1.262 -11.141 1.00 0.28 C ATOM 100 CG ARG A 7 -19.196 -2.065 -10.564 1.00 0.34 C ATOM 101 CD ARG A 7 -18.747 -2.924 -9.379 1.00 0.54 C ATOM 102 NE ARG A 7 -19.862 -3.733 -8.876 1.00 0.95 N ATOM 103 CZ ARG A 7 -20.149 -3.821 -7.576 1.00 1.16 C ATOM 104 NH1 ARG A 7 -20.685 -2.783 -6.948 1.00 1.71 N ATOM 105 NH2 ARG A 7 -19.889 -4.940 -6.918 1.00 1.46 N ATOM 0 H ARG A 7 -16.755 0.881 -12.102 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.921 -0.908 -13.081 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.262 -1.950 -11.507 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.567 -0.671 -10.347 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -19.985 -1.384 -10.245 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.620 -2.703 -11.339 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -17.927 -3.575 -9.684 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.367 -2.284 -8.583 1.00 0.54 H new ATOM 0 HE ARG A 7 -20.438 -4.246 -9.543 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -20.876 -1.921 -7.459 1.00 1.71 H new ATOM 0 HH12 ARG A 7 -20.906 -2.847 -5.954 1.00 1.71 H new ATOM 0 HH21 ARG A 7 -19.470 -5.732 -7.405 1.00 1.46 H new ATOM 0 HH22 ARG A 7 -20.107 -5.010 -5.924 1.00 1.46 H new ATOM 119 N LYS A 8 -20.751 0.439 -12.148 1.00 0.27 N ATOM 120 CA LYS A 8 -21.870 1.287 -11.745 1.00 0.29 C ATOM 121 C LYS A 8 -23.020 0.403 -11.272 1.00 0.29 C ATOM 122 O LYS A 8 -23.701 -0.231 -12.084 1.00 0.38 O ATOM 123 CB LYS A 8 -22.313 2.163 -12.927 1.00 0.36 C ATOM 124 CG LYS A 8 -23.547 3.017 -12.602 1.00 0.37 C ATOM 125 CD LYS A 8 -24.729 2.676 -13.514 1.00 0.50 C ATOM 126 CE LYS A 8 -26.068 3.051 -12.873 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.176 4.511 -12.602 1.00 1.02 N ATOM 0 H LYS A 8 -21.023 -0.350 -12.735 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.564 1.942 -10.929 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.490 2.816 -13.218 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.533 1.526 -13.784 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.833 2.861 -11.562 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -23.297 4.073 -12.709 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.620 3.202 -14.462 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -24.719 1.609 -13.738 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.881 2.745 -13.531 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -26.188 2.501 -11.940 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.099 4.716 -12.168 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -25.417 4.801 -11.953 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -26.088 5.037 -13.495 1.00 1.02 H new ATOM 141 N HIS A 9 -23.237 0.365 -9.956 1.00 0.43 N ATOM 142 CA HIS A 9 -24.315 -0.434 -9.363 1.00 0.52 C ATOM 143 C HIS A 9 -25.631 0.344 -9.420 1.00 0.58 C ATOM 144 O HIS A 9 -25.788 1.373 -8.763 1.00 0.73 O ATOM 145 CB HIS A 9 -23.977 -0.858 -7.911 1.00 0.68 C ATOM 146 CG HIS A 9 -23.608 0.261 -6.966 1.00 0.88 C ATOM 147 ND1 HIS A 9 -23.298 1.566 -7.166 1.00 1.21 N flip ATOM 148 CD2 HIS A 9 -23.501 0.081 -5.612 1.00 1.22 C flip ATOM 149 CE1 HIS A 9 -23.011 2.126 -5.935 1.00 1.69 C flip ATOM 150 NE2 HIS A 9 -23.147 1.190 -5.014 1.00 1.75 N flip ATOM 0 H HIS A 9 -22.678 0.881 -9.276 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.424 -1.349 -9.945 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -24.836 -1.388 -7.498 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -23.150 -1.568 -7.943 1.00 0.68 H new ATOM 0 HD2 HIS A 9 -23.685 -0.854 -5.104 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -22.725 3.152 -5.757 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -23.002 1.310 -4.012 1.00 1.75 H new ATOM 158 N GLU A 10 -26.563 -0.148 -10.229 1.00 0.60 N ATOM 159 CA GLU A 10 -27.871 0.492 -10.398 1.00 0.73 C ATOM 160 C GLU A 10 -28.912 -0.156 -9.504 1.00 0.83 C ATOM 161 O GLU A 10 -29.788 0.517 -8.965 1.00 1.00 O ATOM 162 CB GLU A 10 -28.322 0.409 -11.859 1.00 0.79 C ATOM 163 CG GLU A 10 -28.117 -0.983 -12.473 1.00 1.28 C ATOM 164 CD GLU A 10 -28.927 -1.112 -13.757 1.00 1.19 C ATOM 165 OE1 GLU A 10 -29.147 -0.091 -14.434 1.00 1.72 O ATOM 166 OE2 GLU A 10 -29.333 -2.240 -14.101 1.00 1.52 O ATOM 0 H GLU A 10 -26.439 -0.995 -10.784 1.00 0.60 H new ATOM 0 HA GLU A 10 -27.770 1.539 -10.113 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -29.377 0.676 -11.923 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -27.770 1.144 -12.446 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -27.060 -1.145 -12.683 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -28.422 -1.751 -11.762 1.00 1.28 H new ATOM 173 N TRP A 11 -28.824 -1.468 -9.381 1.00 0.82 N ATOM 174 CA TRP A 11 -29.762 -2.243 -8.581 1.00 0.96 C ATOM 175 C TRP A 11 -29.023 -3.370 -7.853 1.00 0.94 C ATOM 176 O TRP A 11 -28.813 -4.454 -8.399 1.00 0.84 O ATOM 177 CB TRP A 11 -30.859 -2.790 -9.505 1.00 1.08 C ATOM 178 CG TRP A 11 -31.946 -3.566 -8.805 1.00 1.26 C ATOM 179 CD1 TRP A 11 -33.026 -3.068 -8.121 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.048 -5.001 -8.730 1.00 1.26 C ATOM 181 NE1 TRP A 11 -33.779 -4.119 -7.669 1.00 1.67 N ATOM 182 CE2 TRP A 11 -33.206 -5.306 -8.011 1.00 1.51 C ATOM 183 CE3 TRP A 11 -31.271 -6.052 -9.213 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -33.590 -6.611 -7.762 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -31.645 -7.361 -8.963 1.00 1.35 C ATOM 186 CH2 TRP A 11 -32.797 -7.638 -8.245 1.00 1.53 C ATOM 0 H TRP A 11 -28.101 -2.029 -9.832 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.225 -1.614 -7.821 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.314 -1.956 -10.039 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.397 -3.434 -10.253 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -33.246 -2.022 -7.965 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -34.650 -4.025 -7.147 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -30.377 -5.845 -9.782 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -34.489 -6.824 -7.203 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -31.034 -8.172 -9.330 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -33.079 -8.664 -8.060 1.00 1.53 H new ATOM 353 N SER A 22 -22.883 6.842 -9.097 1.00 1.32 N ATOM 354 CA SER A 22 -22.269 5.553 -9.396 1.00 0.74 C ATOM 355 C SER A 22 -21.510 5.551 -10.726 1.00 0.68 C ATOM 356 O SER A 22 -22.092 5.829 -11.770 1.00 1.69 O ATOM 357 CB SER A 22 -23.365 4.491 -9.440 1.00 1.62 C ATOM 358 OG SER A 22 -24.178 4.559 -8.275 1.00 1.86 O ATOM 0 HA SER A 22 -21.541 5.342 -8.613 1.00 0.74 H new ATOM 0 HB2 SER A 22 -23.981 4.633 -10.328 1.00 1.62 H new ATOM 0 HB3 SER A 22 -22.916 3.501 -9.519 1.00 1.62 H new ATOM 0 HG SER A 22 -24.271 5.494 -7.995 1.00 1.86 H new ATOM 364 N TRP A 23 -20.224 5.204 -10.648 1.00 0.69 N ATOM 365 CA TRP A 23 -19.296 5.092 -11.791 1.00 0.41 C ATOM 366 C TRP A 23 -17.871 5.156 -11.226 1.00 0.40 C ATOM 367 O TRP A 23 -17.186 6.178 -11.335 1.00 0.55 O ATOM 368 CB TRP A 23 -19.515 6.188 -12.878 1.00 0.43 C ATOM 369 CG TRP A 23 -20.376 5.723 -14.040 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.438 6.391 -14.597 1.00 0.45 C ATOM 371 CD2 TRP A 23 -20.254 4.479 -14.778 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.964 5.625 -15.603 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.272 4.461 -15.743 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.389 3.382 -14.712 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.442 3.393 -16.616 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.548 2.318 -15.582 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.568 2.318 -16.526 1.00 0.31 C ATOM 0 H TRP A 23 -19.777 4.984 -9.758 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.480 4.148 -12.303 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.981 7.059 -12.416 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.546 6.509 -13.260 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.800 7.362 -14.292 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.768 5.891 -16.172 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.595 3.365 -13.980 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.236 3.399 -17.348 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.872 1.478 -15.527 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.681 1.477 -17.194 1.00 0.31 H new ATOM 388 N HIS A 24 -17.452 4.055 -10.592 1.00 0.37 N ATOM 389 CA HIS A 24 -16.121 3.942 -9.960 1.00 0.45 C ATOM 390 C HIS A 24 -15.259 2.920 -10.704 1.00 0.36 C ATOM 391 O HIS A 24 -15.752 1.885 -11.157 1.00 0.34 O ATOM 392 CB HIS A 24 -16.246 3.533 -8.469 1.00 0.61 C ATOM 393 CG HIS A 24 -17.342 2.540 -8.169 1.00 1.18 C ATOM 394 ND1 HIS A 24 -18.649 2.899 -7.949 1.00 2.08 N ATOM 395 CD2 HIS A 24 -17.328 1.190 -8.040 1.00 1.66 C ATOM 396 CE1 HIS A 24 -19.394 1.848 -7.702 1.00 2.98 C ATOM 397 NE2 HIS A 24 -18.618 0.777 -7.747 1.00 2.74 N ATOM 0 H HIS A 24 -18.022 3.214 -10.499 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.643 4.920 -10.014 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -15.295 3.111 -8.143 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -16.417 4.431 -7.875 1.00 0.61 H new ATOM 0 HD2 HIS A 24 -16.465 0.550 -8.147 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -20.454 1.855 -7.498 1.00 2.98 H new ATOM 0 HE2 HIS A 24 -18.917 -0.186 -7.593 1.00 2.74 H new ATOM 405 N ASN A 25 -13.963 3.214 -10.804 1.00 0.37 N ATOM 406 CA ASN A 25 -12.997 2.330 -11.466 1.00 0.35 C ATOM 407 C ASN A 25 -12.461 1.326 -10.439 1.00 0.34 C ATOM 408 O ASN A 25 -11.508 1.611 -9.710 1.00 0.55 O ATOM 409 CB ASN A 25 -11.850 3.165 -12.075 1.00 0.44 C ATOM 410 CG ASN A 25 -11.003 2.329 -13.043 1.00 0.99 C ATOM 411 OD1 ASN A 25 -11.471 1.341 -13.608 1.00 1.71 O ATOM 412 ND2 ASN A 25 -9.760 2.736 -13.248 1.00 1.49 N ATOM 0 H ASN A 25 -13.551 4.069 -10.430 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.481 1.785 -12.276 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.264 4.025 -12.601 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.217 3.553 -11.277 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -9.156 2.226 -13.892 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -9.406 3.560 -12.762 1.00 1.49 H new ATOM 419 N VAL A 26 -13.103 0.161 -10.379 1.00 0.22 N ATOM 420 CA VAL A 26 -12.737 -0.904 -9.441 1.00 0.21 C ATOM 421 C VAL A 26 -11.961 -2.007 -10.163 1.00 0.18 C ATOM 422 O VAL A 26 -12.018 -2.121 -11.389 1.00 0.23 O ATOM 423 CB VAL A 26 -14.018 -1.464 -8.796 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.831 -2.306 -9.788 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.692 -2.277 -7.545 1.00 0.31 C ATOM 0 H VAL A 26 -13.893 -0.074 -10.980 1.00 0.22 H new ATOM 0 HA VAL A 26 -12.091 -0.501 -8.661 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.631 -0.611 -8.503 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.727 -2.684 -9.296 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -15.117 -1.689 -10.640 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.227 -3.144 -10.134 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.615 -2.661 -7.110 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.043 -3.111 -7.812 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.186 -1.641 -6.819 1.00 0.31 H new ATOM 435 N TYR A 27 -11.241 -2.821 -9.399 1.00 0.16 N ATOM 436 CA TYR A 27 -10.455 -3.922 -9.954 1.00 0.16 C ATOM 437 C TYR A 27 -11.266 -5.216 -9.902 1.00 0.19 C ATOM 438 O TYR A 27 -11.647 -5.677 -8.827 1.00 0.34 O ATOM 439 CB TYR A 27 -9.146 -4.065 -9.176 1.00 0.17 C ATOM 440 CG TYR A 27 -8.117 -4.897 -9.902 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.394 -4.347 -10.945 1.00 0.28 C ATOM 442 CD2 TYR A 27 -7.897 -6.212 -9.533 1.00 0.26 C ATOM 443 CE1 TYR A 27 -6.454 -5.108 -11.614 1.00 0.33 C ATOM 444 CE2 TYR A 27 -6.957 -6.971 -10.205 1.00 0.30 C ATOM 445 CZ TYR A 27 -6.239 -6.418 -11.240 1.00 0.29 C ATOM 446 OH TYR A 27 -5.303 -7.182 -11.899 1.00 0.37 O ATOM 0 H TYR A 27 -11.184 -2.739 -8.384 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.215 -3.710 -10.996 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.734 -3.074 -8.983 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.353 -4.518 -8.207 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -7.564 -3.321 -11.237 1.00 0.28 H new ATOM 0 HD2 TYR A 27 -8.460 -6.646 -8.720 1.00 0.26 H new ATOM 0 HE1 TYR A 27 -5.889 -4.678 -12.428 1.00 0.33 H new ATOM 0 HE2 TYR A 27 -6.786 -7.998 -9.917 1.00 0.30 H new ATOM 0 HH TYR A 27 -5.279 -8.080 -11.507 1.00 0.37 H new ATOM 456 N CYS A 28 -11.535 -5.785 -11.075 1.00 0.16 N ATOM 457 CA CYS A 28 -12.314 -7.022 -11.197 1.00 0.19 C ATOM 458 C CYS A 28 -11.402 -8.204 -11.523 1.00 0.19 C ATOM 459 O CYS A 28 -10.525 -8.105 -12.388 1.00 0.23 O ATOM 460 CB CYS A 28 -13.376 -6.853 -12.293 1.00 0.23 C ATOM 461 SG CYS A 28 -14.486 -5.471 -11.967 1.00 0.34 S ATOM 0 H CYS A 28 -11.221 -5.405 -11.968 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.806 -7.225 -10.246 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -12.883 -6.700 -13.253 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -13.958 -7.771 -12.376 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.223 -5.741 -10.931 1.00 0.34 H new ATOM 467 N VAL A 29 -11.613 -9.317 -10.824 1.00 0.21 N ATOM 468 CA VAL A 29 -10.822 -10.535 -11.017 1.00 0.24 C ATOM 469 C VAL A 29 -11.739 -11.755 -11.074 1.00 0.26 C ATOM 470 O VAL A 29 -12.383 -12.092 -10.082 1.00 0.38 O ATOM 471 CB VAL A 29 -9.823 -10.702 -9.859 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.051 -12.019 -9.976 1.00 0.37 C ATOM 473 CG2 VAL A 29 -8.848 -9.533 -9.807 1.00 0.33 C ATOM 0 H VAL A 29 -12.335 -9.402 -10.109 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.277 -10.451 -11.957 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.399 -10.720 -8.934 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.353 -12.107 -9.143 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -9.751 -12.854 -9.953 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.498 -12.035 -10.915 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.153 -9.676 -8.980 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.292 -9.481 -10.743 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.400 -8.605 -9.661 1.00 0.33 H new ATOM 483 N ILE A 30 -11.772 -12.425 -12.224 1.00 0.28 N ATOM 484 CA ILE A 30 -12.581 -13.636 -12.405 1.00 0.32 C ATOM 485 C ILE A 30 -11.670 -14.854 -12.248 1.00 0.35 C ATOM 486 O ILE A 30 -10.618 -14.929 -12.890 1.00 0.44 O ATOM 487 CB ILE A 30 -13.250 -13.650 -13.792 1.00 0.40 C ATOM 488 CG1 ILE A 30 -13.745 -12.251 -14.179 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.414 -14.647 -13.811 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.534 -12.274 -15.485 1.00 0.57 C ATOM 0 H ILE A 30 -11.245 -12.150 -13.052 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.372 -13.658 -11.656 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.505 -13.962 -14.524 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.373 -11.853 -13.381 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -12.893 -11.578 -14.280 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.878 -14.646 -14.798 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -14.041 -15.646 -13.586 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -15.152 -14.358 -13.063 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -14.868 -11.265 -15.726 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.898 -12.647 -16.288 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.400 -12.926 -15.375 1.00 0.57 H new ATOM 502 N ASN A 31 -12.060 -15.797 -11.393 1.00 0.46 N ATOM 503 CA ASN A 31 -11.256 -17.005 -11.158 1.00 0.58 C ATOM 504 C ASN A 31 -12.129 -18.256 -11.293 1.00 0.71 C ATOM 505 O ASN A 31 -12.142 -19.116 -10.412 1.00 1.20 O ATOM 506 CB ASN A 31 -10.587 -16.941 -9.769 1.00 0.73 C ATOM 507 CG ASN A 31 -9.332 -17.819 -9.733 1.00 0.93 C ATOM 508 OD1 ASN A 31 -8.220 -17.340 -9.954 1.00 1.27 O ATOM 509 ND2 ASN A 31 -9.510 -19.104 -9.468 1.00 1.47 N ATOM 0 H ASN A 31 -12.923 -15.753 -10.851 1.00 0.46 H new ATOM 0 HA ASN A 31 -10.468 -17.058 -11.910 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -10.323 -15.910 -9.534 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -11.291 -17.272 -9.005 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -8.709 -19.735 -9.442 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -10.448 -19.463 -9.290 1.00 1.47 H new ATOM 516 N ASN A 32 -12.839 -18.350 -12.424 1.00 0.85 N ATOM 517 CA ASN A 32 -13.717 -19.490 -12.736 1.00 1.00 C ATOM 518 C ASN A 32 -14.955 -19.522 -11.827 1.00 1.00 C ATOM 519 O ASN A 32 -14.842 -19.568 -10.601 1.00 1.97 O ATOM 520 CB ASN A 32 -12.936 -20.817 -12.631 1.00 1.24 C ATOM 521 CG ASN A 32 -13.630 -21.937 -13.410 1.00 1.73 C ATOM 522 OD1 ASN A 32 -14.055 -22.941 -12.832 1.00 2.06 O ATOM 523 ND2 ASN A 32 -13.739 -21.773 -14.718 1.00 2.52 N ATOM 0 H ASN A 32 -12.822 -17.636 -13.152 1.00 0.85 H new ATOM 0 HA ASN A 32 -14.066 -19.365 -13.761 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -11.925 -20.677 -13.015 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -12.843 -21.104 -11.584 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -14.188 -22.491 -15.286 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -13.375 -20.928 -15.158 1.00 2.52 H new ATOM 530 N GLN A 33 -16.136 -19.524 -12.450 1.00 0.75 N ATOM 531 CA GLN A 33 -17.438 -19.579 -11.756 1.00 0.67 C ATOM 532 C GLN A 33 -17.793 -18.271 -11.029 1.00 0.56 C ATOM 533 O GLN A 33 -18.963 -17.837 -11.085 1.00 0.71 O ATOM 534 CB GLN A 33 -17.490 -20.754 -10.766 1.00 0.83 C ATOM 535 CG GLN A 33 -16.988 -22.055 -11.405 1.00 1.46 C ATOM 536 CD GLN A 33 -17.308 -23.254 -10.518 1.00 1.85 C ATOM 537 OE1 GLN A 33 -18.249 -24.003 -10.780 1.00 2.11 O ATOM 538 NE2 GLN A 33 -16.523 -23.441 -9.468 1.00 2.67 N ATOM 0 H GLN A 33 -16.223 -19.487 -13.466 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.184 -19.728 -12.537 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -16.883 -20.520 -9.891 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -18.513 -20.891 -10.417 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -17.451 -22.187 -12.383 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -15.912 -21.994 -11.567 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -15.753 -22.797 -9.286 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -16.688 -24.229 -8.842 1.00 2.67 H new ATOM 547 N GLU A 34 -16.812 -17.666 -10.324 1.00 0.53 N ATOM 548 CA GLU A 34 -17.042 -16.434 -9.570 1.00 0.49 C ATOM 549 C GLU A 34 -15.925 -15.415 -9.807 1.00 0.45 C ATOM 550 O GLU A 34 -14.860 -15.739 -10.343 1.00 0.64 O ATOM 551 CB GLU A 34 -17.150 -16.767 -8.076 1.00 0.61 C ATOM 552 CG GLU A 34 -15.980 -17.641 -7.592 1.00 1.25 C ATOM 553 CD GLU A 34 -15.750 -17.471 -6.095 1.00 1.42 C ATOM 554 OE1 GLU A 34 -16.717 -17.159 -5.374 1.00 1.79 O ATOM 555 OE2 GLU A 34 -14.607 -17.649 -5.632 1.00 1.89 O ATOM 0 H GLU A 34 -15.856 -18.018 -10.267 1.00 0.53 H new ATOM 0 HA GLU A 34 -17.973 -15.985 -9.916 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -17.174 -15.842 -7.500 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -18.091 -17.284 -7.887 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -16.188 -18.688 -7.814 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -15.073 -17.374 -8.135 1.00 1.25 H new ATOM 562 N MET A 35 -16.182 -14.182 -9.384 1.00 0.36 N ATOM 563 CA MET A 35 -15.233 -13.078 -9.513 1.00 0.35 C ATOM 564 C MET A 35 -15.215 -12.262 -8.220 1.00 0.32 C ATOM 565 O MET A 35 -16.183 -12.273 -7.456 1.00 0.42 O ATOM 566 CB MET A 35 -15.616 -12.183 -10.701 1.00 0.41 C ATOM 567 CG MET A 35 -16.986 -11.528 -10.510 1.00 0.43 C ATOM 568 SD MET A 35 -17.549 -10.684 -11.998 1.00 0.60 S ATOM 569 CE MET A 35 -18.985 -9.788 -11.383 1.00 1.25 C ATOM 0 H MET A 35 -17.060 -13.917 -8.939 1.00 0.36 H new ATOM 0 HA MET A 35 -14.237 -13.483 -9.693 1.00 0.35 H new ATOM 0 HB2 MET A 35 -14.859 -11.409 -10.830 1.00 0.41 H new ATOM 0 HB3 MET A 35 -15.623 -12.777 -11.615 1.00 0.41 H new ATOM 0 HG2 MET A 35 -17.714 -12.288 -10.228 1.00 0.43 H new ATOM 0 HG3 MET A 35 -16.935 -10.815 -9.687 1.00 0.43 H new ATOM 0 HE1 MET A 35 -19.893 -10.229 -11.795 1.00 1.25 H new ATOM 0 HE2 MET A 35 -19.013 -9.849 -10.295 1.00 1.25 H new ATOM 0 HE3 MET A 35 -18.919 -8.743 -11.687 1.00 1.25 H new ATOM 579 N GLY A 36 -14.112 -11.561 -7.980 1.00 0.27 N ATOM 580 CA GLY A 36 -13.951 -10.737 -6.780 1.00 0.29 C ATOM 581 C GLY A 36 -13.645 -9.286 -7.142 1.00 0.25 C ATOM 582 O GLY A 36 -12.860 -9.015 -8.058 1.00 0.28 O ATOM 0 H GLY A 36 -13.307 -11.545 -8.606 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -14.861 -10.781 -6.181 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.145 -11.139 -6.166 1.00 0.29 H new ATOM 586 N PHE A 37 -14.262 -8.360 -6.405 1.00 0.24 N ATOM 587 CA PHE A 37 -14.070 -6.921 -6.604 1.00 0.25 C ATOM 588 C PHE A 37 -13.021 -6.412 -5.611 1.00 0.25 C ATOM 589 O PHE A 37 -13.287 -6.322 -4.413 1.00 0.40 O ATOM 590 CB PHE A 37 -15.391 -6.172 -6.389 1.00 0.30 C ATOM 591 CG PHE A 37 -16.425 -6.471 -7.449 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.257 -5.998 -8.741 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.544 -7.224 -7.130 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.209 -6.274 -9.709 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.493 -7.500 -8.097 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.317 -7.012 -9.400 1.00 0.33 C ATOM 0 H PHE A 37 -14.911 -8.587 -5.651 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.731 -6.743 -7.624 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.795 -6.435 -5.412 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.195 -5.100 -6.374 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.384 -5.414 -8.993 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.675 -7.596 -6.124 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.075 -5.903 -10.715 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.365 -8.088 -7.850 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.057 -7.219 -10.159 1.00 0.33 H new ATOM 606 N TYR A 38 -11.831 -6.094 -6.114 1.00 0.20 N ATOM 607 CA TYR A 38 -10.724 -5.603 -5.281 1.00 0.21 C ATOM 608 C TYR A 38 -10.393 -4.142 -5.608 1.00 0.21 C ATOM 609 O TYR A 38 -10.989 -3.536 -6.503 1.00 0.23 O ATOM 610 CB TYR A 38 -9.485 -6.482 -5.512 1.00 0.23 C ATOM 611 CG TYR A 38 -9.707 -7.941 -5.173 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.689 -8.353 -3.852 1.00 0.42 C ATOM 613 CD2 TYR A 38 -9.911 -8.868 -6.181 1.00 0.27 C ATOM 614 CE1 TYR A 38 -9.876 -9.689 -3.537 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.099 -10.203 -5.867 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.080 -10.610 -4.549 1.00 0.44 C ATOM 617 OH TYR A 38 -10.264 -11.943 -4.245 1.00 0.55 O ATOM 0 H TYR A 38 -11.602 -6.167 -7.105 1.00 0.20 H new ATOM 0 HA TYR A 38 -11.026 -5.656 -4.235 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.182 -6.402 -6.556 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.660 -6.099 -4.911 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.529 -7.631 -3.065 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -9.923 -8.549 -7.213 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -9.863 -10.010 -2.506 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.260 -10.925 -6.653 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.395 -12.452 -5.072 1.00 0.55 H new ATOM 627 N LYS A 39 -9.416 -3.586 -4.886 1.00 0.25 N ATOM 628 CA LYS A 39 -8.977 -2.202 -5.099 1.00 0.29 C ATOM 629 C LYS A 39 -7.990 -2.143 -6.276 1.00 0.28 C ATOM 630 O LYS A 39 -7.969 -1.170 -7.028 1.00 0.33 O ATOM 631 CB LYS A 39 -8.324 -1.656 -3.819 1.00 0.36 C ATOM 632 CG LYS A 39 -8.134 -0.135 -3.886 1.00 0.70 C ATOM 633 CD LYS A 39 -8.299 0.516 -2.509 1.00 1.15 C ATOM 634 CE LYS A 39 -7.084 0.255 -1.612 1.00 1.82 C ATOM 635 NZ LYS A 39 -7.357 0.627 -0.192 1.00 2.51 N ATOM 0 H LYS A 39 -8.912 -4.074 -4.146 1.00 0.25 H new ATOM 0 HA LYS A 39 -9.842 -1.583 -5.338 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -8.943 -1.908 -2.958 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.358 -2.138 -3.669 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -7.143 0.091 -4.280 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -8.858 0.292 -4.580 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -8.440 1.590 -2.628 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -9.197 0.128 -2.028 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -6.811 -0.799 -1.666 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -6.231 0.825 -1.980 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -6.513 0.437 0.385 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -7.593 1.638 -0.137 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -8.155 0.065 0.167 1.00 2.51 H new ATOM 649 N ASP A 40 -7.182 -3.201 -6.419 1.00 0.28 N ATOM 650 CA ASP A 40 -6.183 -3.317 -7.494 1.00 0.32 C ATOM 651 C ASP A 40 -5.664 -4.761 -7.576 1.00 0.33 C ATOM 652 O ASP A 40 -6.211 -5.667 -6.935 1.00 0.32 O ATOM 653 CB ASP A 40 -5.013 -2.326 -7.281 1.00 0.38 C ATOM 654 CG ASP A 40 -4.163 -2.663 -6.045 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.665 -3.385 -5.161 1.00 0.84 O ATOM 656 OD2 ASP A 40 -3.002 -2.205 -5.954 1.00 0.94 O ATOM 0 H ASP A 40 -7.201 -4.005 -5.791 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.664 -3.061 -8.438 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.376 -2.328 -8.166 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.412 -1.317 -7.178 1.00 0.38 H new ATOM 661 N ALA A 41 -4.604 -4.967 -8.365 1.00 0.40 N ATOM 662 CA ALA A 41 -3.995 -6.296 -8.542 1.00 0.45 C ATOM 663 C ALA A 41 -3.362 -6.787 -7.235 1.00 0.45 C ATOM 664 O ALA A 41 -3.451 -7.970 -6.900 1.00 0.47 O ATOM 665 CB ALA A 41 -2.943 -6.255 -9.655 1.00 0.55 C ATOM 0 H ALA A 41 -4.145 -4.227 -8.896 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.782 -6.995 -8.825 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.501 -7.244 -9.775 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.414 -5.952 -10.590 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -2.164 -5.539 -9.393 1.00 0.55 H new ATOM 671 N LYS A 42 -2.740 -5.867 -6.490 1.00 0.46 N ATOM 672 CA LYS A 42 -2.105 -6.198 -5.206 1.00 0.48 C ATOM 673 C LYS A 42 -3.153 -6.695 -4.206 1.00 0.43 C ATOM 674 O LYS A 42 -2.948 -7.699 -3.526 1.00 0.47 O ATOM 675 CB LYS A 42 -1.388 -4.971 -4.636 1.00 0.54 C ATOM 676 CG LYS A 42 -0.224 -4.536 -5.527 1.00 0.77 C ATOM 677 CD LYS A 42 0.265 -3.126 -5.175 1.00 1.12 C ATOM 678 CE LYS A 42 0.999 -3.100 -3.831 1.00 1.96 C ATOM 679 NZ LYS A 42 0.060 -3.155 -2.676 1.00 2.76 N ATOM 0 H LYS A 42 -2.662 -4.885 -6.753 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.375 -6.989 -5.377 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -2.097 -4.149 -4.535 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -1.017 -5.197 -3.636 1.00 0.54 H new ATOM 0 HG2 LYS A 42 0.599 -5.243 -5.422 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.536 -4.563 -6.571 1.00 0.77 H new ATOM 0 HD2 LYS A 42 0.930 -2.765 -5.960 1.00 1.12 H new ATOM 0 HD3 LYS A 42 -0.585 -2.445 -5.139 1.00 1.12 H new ATOM 0 HE2 LYS A 42 1.687 -3.944 -3.778 1.00 1.96 H new ATOM 0 HE3 LYS A 42 1.601 -2.194 -3.765 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 0.324 -2.429 -1.979 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 -0.910 -2.980 -3.008 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 0.109 -4.095 -2.233 1.00 2.76 H new ATOM 693 N SER A 43 -4.282 -5.987 -4.138 1.00 0.38 N ATOM 694 CA SER A 43 -5.387 -6.341 -3.239 1.00 0.38 C ATOM 695 C SER A 43 -5.970 -7.718 -3.599 1.00 0.39 C ATOM 696 O SER A 43 -6.413 -8.457 -2.722 1.00 0.45 O ATOM 697 CB SER A 43 -6.473 -5.266 -3.322 1.00 0.37 C ATOM 698 OG SER A 43 -5.947 -4.000 -2.945 1.00 1.04 O ATOM 0 H SER A 43 -4.458 -5.155 -4.701 1.00 0.38 H new ATOM 0 HA SER A 43 -5.007 -6.396 -2.219 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.867 -5.216 -4.337 1.00 0.37 H new ATOM 0 HB3 SER A 43 -7.305 -5.530 -2.670 1.00 0.37 H new ATOM 0 HG SER A 43 -5.650 -3.518 -3.745 1.00 1.04 H new ATOM 704 N ALA A 44 -5.951 -8.057 -4.892 1.00 0.37 N ATOM 705 CA ALA A 44 -6.460 -9.345 -5.382 1.00 0.43 C ATOM 706 C ALA A 44 -5.489 -10.483 -5.035 1.00 0.51 C ATOM 707 O ALA A 44 -5.901 -11.536 -4.542 1.00 0.59 O ATOM 708 CB ALA A 44 -6.671 -9.275 -6.897 1.00 0.43 C ATOM 0 H ALA A 44 -5.585 -7.451 -5.626 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.413 -9.551 -4.895 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -7.049 -10.232 -7.256 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.392 -8.491 -7.128 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.723 -9.052 -7.386 1.00 0.43 H new ATOM 714 N ALA A 45 -4.196 -10.258 -5.292 1.00 0.54 N ATOM 715 CA ALA A 45 -3.146 -11.250 -5.010 1.00 0.64 C ATOM 716 C ALA A 45 -2.930 -11.412 -3.498 1.00 0.68 C ATOM 717 O ALA A 45 -2.813 -12.531 -2.993 1.00 0.76 O ATOM 718 CB ALA A 45 -1.834 -10.825 -5.683 1.00 0.69 C ATOM 0 H ALA A 45 -3.847 -9.390 -5.699 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.467 -12.211 -5.413 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.060 -11.563 -5.471 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.984 -10.756 -6.760 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.525 -9.854 -5.296 1.00 0.69 H new ATOM 724 N SER A 46 -2.877 -10.287 -2.780 1.00 0.65 N ATOM 725 CA SER A 46 -2.675 -10.286 -1.327 1.00 0.73 C ATOM 726 C SER A 46 -3.923 -10.815 -0.598 1.00 0.74 C ATOM 727 O SER A 46 -3.811 -11.533 0.395 1.00 0.84 O ATOM 728 CB SER A 46 -2.343 -8.862 -0.856 1.00 0.75 C ATOM 729 OG SER A 46 -1.879 -8.856 0.490 1.00 1.21 O ATOM 0 H SER A 46 -2.972 -9.356 -3.186 1.00 0.65 H new ATOM 0 HA SER A 46 -1.843 -10.948 -1.088 1.00 0.73 H new ATOM 0 HB2 SER A 46 -1.583 -8.430 -1.507 1.00 0.75 H new ATOM 0 HB3 SER A 46 -3.229 -8.233 -0.940 1.00 0.75 H new ATOM 0 HG SER A 46 -1.674 -7.937 0.761 1.00 1.21 H new ATOM 735 N GLY A 47 -5.105 -10.454 -1.100 1.00 0.70 N ATOM 736 CA GLY A 47 -6.378 -10.883 -0.506 1.00 0.74 C ATOM 737 C GLY A 47 -6.898 -9.830 0.468 1.00 0.75 C ATOM 738 O GLY A 47 -7.152 -10.121 1.641 1.00 0.88 O ATOM 0 H GLY A 47 -5.210 -9.861 -1.923 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.113 -11.053 -1.292 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.242 -11.831 0.014 1.00 0.74 H new ATOM 742 N ILE A 48 -7.061 -8.606 -0.033 1.00 0.67 N ATOM 743 CA ILE A 48 -7.556 -7.480 0.763 1.00 0.72 C ATOM 744 C ILE A 48 -8.984 -7.155 0.321 1.00 0.75 C ATOM 745 O ILE A 48 -9.219 -6.849 -0.848 1.00 0.75 O ATOM 746 CB ILE A 48 -6.636 -6.260 0.573 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.215 -6.581 1.064 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.190 -5.029 1.301 1.00 0.82 C ATOM 749 CD1 ILE A 48 -4.221 -5.485 0.673 1.00 0.97 C ATOM 0 H ILE A 48 -6.854 -8.366 -1.002 1.00 0.67 H new ATOM 0 HA ILE A 48 -7.558 -7.742 1.821 1.00 0.72 H new ATOM 0 HB ILE A 48 -6.596 -6.030 -0.492 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.222 -6.697 2.148 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -4.891 -7.533 0.644 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.519 -4.184 1.149 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.176 -4.786 0.905 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.269 -5.242 2.367 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -3.228 -5.748 1.037 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -4.195 -5.388 -0.412 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -4.531 -4.538 1.115 1.00 0.97 H new ATOM 761 N PRO A 49 -9.964 -7.235 1.243 1.00 0.84 N ATOM 762 CA PRO A 49 -11.380 -6.966 0.924 1.00 0.93 C ATOM 763 C PRO A 49 -11.686 -5.478 0.697 1.00 0.93 C ATOM 764 O PRO A 49 -11.400 -4.630 1.546 1.00 1.08 O ATOM 765 CB PRO A 49 -12.139 -7.511 2.132 1.00 1.07 C ATOM 766 CG PRO A 49 -11.164 -7.478 3.264 1.00 1.06 C ATOM 767 CD PRO A 49 -9.784 -7.610 2.663 1.00 0.92 C ATOM 0 HA PRO A 49 -11.668 -7.436 -0.016 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -13.016 -6.902 2.352 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.493 -8.525 1.948 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -11.254 -6.547 3.823 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -11.359 -8.290 3.964 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -9.070 -6.954 3.160 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -9.404 -8.627 2.760 1.00 0.92 H new ATOM 775 N TYR A 50 -12.295 -5.189 -0.452 1.00 0.87 N ATOM 776 CA TYR A 50 -12.695 -3.835 -0.838 1.00 0.91 C ATOM 777 C TYR A 50 -14.217 -3.758 -0.803 1.00 1.12 C ATOM 778 O TYR A 50 -14.892 -4.367 -1.632 1.00 1.91 O ATOM 779 CB TYR A 50 -12.170 -3.515 -2.248 1.00 0.92 C ATOM 780 CG TYR A 50 -12.408 -2.083 -2.675 1.00 0.94 C ATOM 781 CD1 TYR A 50 -11.810 -1.042 -1.983 1.00 1.02 C ATOM 782 CD2 TYR A 50 -13.220 -1.804 -3.765 1.00 1.13 C ATOM 783 CE1 TYR A 50 -12.021 0.269 -2.381 1.00 1.13 C ATOM 784 CE2 TYR A 50 -13.430 -0.493 -4.159 1.00 1.24 C ATOM 785 CZ TYR A 50 -12.828 0.538 -3.465 1.00 1.17 C ATOM 786 OH TYR A 50 -13.035 1.842 -3.862 1.00 1.34 O ATOM 0 H TYR A 50 -12.528 -5.896 -1.150 1.00 0.87 H new ATOM 0 HA TYR A 50 -12.274 -3.104 -0.147 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -11.101 -3.723 -2.284 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -12.648 -4.183 -2.964 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -11.179 -1.252 -1.132 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -13.689 -2.611 -4.308 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -11.553 1.079 -1.842 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -14.063 -0.277 -5.007 1.00 1.24 H new ATOM 0 HH TYR A 50 -13.628 1.856 -4.642 1.00 1.34 H new ATOM 796 N HIS A 51 -14.746 -3.034 0.184 1.00 1.28 N ATOM 797 CA HIS A 51 -16.194 -2.876 0.376 1.00 1.53 C ATOM 798 C HIS A 51 -16.767 -4.107 1.110 1.00 1.61 C ATOM 799 O HIS A 51 -16.049 -4.787 1.849 1.00 2.07 O ATOM 800 CB HIS A 51 -16.914 -2.617 -0.978 1.00 2.01 C ATOM 801 CG HIS A 51 -17.831 -1.433 -0.928 1.00 2.54 C ATOM 802 ND1 HIS A 51 -19.172 -1.491 -1.216 1.00 3.19 N ATOM 803 CD2 HIS A 51 -17.597 -0.136 -0.610 1.00 2.89 C ATOM 804 CE1 HIS A 51 -19.734 -0.316 -1.084 1.00 3.87 C ATOM 805 NE2 HIS A 51 -18.798 0.546 -0.711 1.00 3.74 N ATOM 0 H HIS A 51 -14.184 -2.538 0.876 1.00 1.28 H new ATOM 0 HA HIS A 51 -16.374 -2.000 0.999 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -16.168 -2.461 -1.757 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -17.485 -3.503 -1.256 1.00 2.01 H new ATOM 0 HD2 HIS A 51 -16.645 0.289 -0.328 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -20.777 -0.089 -1.250 1.00 3.87 H new ATOM 0 HE2 HIS A 51 -18.938 1.540 -0.530 1.00 3.74 H new ATOM 813 N SER A 52 -18.053 -4.387 0.903 1.00 1.60 N ATOM 814 CA SER A 52 -18.732 -5.520 1.526 1.00 1.96 C ATOM 815 C SER A 52 -19.333 -6.398 0.434 1.00 1.85 C ATOM 816 O SER A 52 -19.999 -5.901 -0.475 1.00 2.45 O ATOM 817 CB SER A 52 -19.827 -5.024 2.476 1.00 2.44 C ATOM 818 OG SER A 52 -19.282 -4.136 3.448 1.00 2.65 O ATOM 0 H SER A 52 -18.655 -3.831 0.296 1.00 1.60 H new ATOM 0 HA SER A 52 -18.016 -6.102 2.107 1.00 1.96 H new ATOM 0 HB2 SER A 52 -20.606 -4.516 1.908 1.00 2.44 H new ATOM 0 HB3 SER A 52 -20.297 -5.873 2.973 1.00 2.44 H new ATOM 0 HG SER A 52 -19.995 -3.827 4.045 1.00 2.65 H new ATOM 824 N GLU A 53 -19.056 -7.689 0.529 1.00 1.45 N ATOM 825 CA GLU A 53 -19.509 -8.702 -0.437 1.00 1.37 C ATOM 826 C GLU A 53 -18.620 -8.654 -1.683 1.00 1.08 C ATOM 827 O GLU A 53 -19.097 -8.472 -2.804 1.00 1.24 O ATOM 828 CB GLU A 53 -20.995 -8.529 -0.811 1.00 1.73 C ATOM 829 CG GLU A 53 -21.875 -8.350 0.436 1.00 2.39 C ATOM 830 CD GLU A 53 -23.247 -8.978 0.226 1.00 2.88 C ATOM 831 OE1 GLU A 53 -23.850 -8.764 -0.844 1.00 3.46 O ATOM 832 OE2 GLU A 53 -23.726 -9.687 1.131 1.00 3.23 O ATOM 0 H GLU A 53 -18.500 -8.079 1.290 1.00 1.45 H new ATOM 0 HA GLU A 53 -19.420 -9.681 0.033 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -21.108 -7.664 -1.464 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -21.333 -9.399 -1.374 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -21.389 -8.807 1.298 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -21.986 -7.289 0.659 1.00 2.39 H new ATOM 839 N VAL A 54 -17.316 -8.806 -1.454 1.00 0.84 N ATOM 840 CA VAL A 54 -16.305 -8.773 -2.517 1.00 0.66 C ATOM 841 C VAL A 54 -16.485 -9.929 -3.524 1.00 0.55 C ATOM 842 O VAL A 54 -16.451 -9.693 -4.732 1.00 0.49 O ATOM 843 CB VAL A 54 -14.897 -8.795 -1.881 1.00 0.81 C ATOM 844 CG1 VAL A 54 -13.812 -9.144 -2.905 1.00 0.77 C ATOM 845 CG2 VAL A 54 -14.592 -7.450 -1.219 1.00 1.34 C ATOM 0 H VAL A 54 -16.927 -8.956 -0.523 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.429 -7.851 -3.085 1.00 0.66 H new ATOM 0 HB VAL A 54 -14.893 -9.576 -1.121 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -12.838 -9.148 -2.416 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -14.012 -10.130 -3.325 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -13.813 -8.402 -3.704 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -13.597 -7.480 -0.775 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -14.632 -6.659 -1.968 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -15.330 -7.251 -0.442 1.00 1.34 H new ATOM 855 N PRO A 55 -16.667 -11.195 -3.061 1.00 0.62 N ATOM 856 CA PRO A 55 -16.834 -12.345 -3.967 1.00 0.59 C ATOM 857 C PRO A 55 -18.269 -12.471 -4.494 1.00 0.58 C ATOM 858 O PRO A 55 -19.208 -12.654 -3.716 1.00 0.83 O ATOM 859 CB PRO A 55 -16.463 -13.549 -3.101 1.00 0.76 C ATOM 860 CG PRO A 55 -16.716 -13.129 -1.686 1.00 0.87 C ATOM 861 CD PRO A 55 -16.717 -11.615 -1.643 1.00 0.83 C ATOM 0 HA PRO A 55 -16.216 -12.250 -4.860 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -17.064 -14.419 -3.364 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -15.419 -13.827 -3.245 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -17.671 -13.521 -1.337 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -15.946 -13.529 -1.026 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -17.611 -11.234 -1.149 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -15.860 -11.235 -1.088 1.00 0.83 H new ATOM 869 N VAL A 56 -18.426 -12.385 -5.813 1.00 0.41 N ATOM 870 CA VAL A 56 -19.735 -12.501 -6.461 1.00 0.43 C ATOM 871 C VAL A 56 -19.695 -13.633 -7.490 1.00 0.42 C ATOM 872 O VAL A 56 -18.740 -13.752 -8.265 1.00 0.43 O ATOM 873 CB VAL A 56 -20.109 -11.172 -7.132 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.403 -11.302 -7.935 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.251 -10.060 -6.090 1.00 0.63 C ATOM 0 H VAL A 56 -17.654 -12.234 -6.463 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.493 -12.731 -5.712 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.303 -10.912 -7.818 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.642 -10.345 -8.398 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -21.276 -12.058 -8.710 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.216 -11.596 -7.271 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.516 -9.127 -6.587 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.032 -10.326 -5.378 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.306 -9.934 -5.562 1.00 0.63 H new ATOM 885 N SER A 57 -20.729 -14.465 -7.476 1.00 0.47 N ATOM 886 CA SER A 57 -20.855 -15.606 -8.373 1.00 0.48 C ATOM 887 C SER A 57 -21.473 -15.194 -9.713 1.00 0.46 C ATOM 888 O SER A 57 -22.409 -14.391 -9.759 1.00 0.59 O ATOM 889 CB SER A 57 -21.723 -16.672 -7.697 1.00 0.61 C ATOM 890 OG SER A 57 -21.611 -16.616 -6.275 1.00 0.91 O ATOM 0 H SER A 57 -21.514 -14.364 -6.832 1.00 0.47 H new ATOM 0 HA SER A 57 -19.862 -16.006 -8.578 1.00 0.48 H new ATOM 0 HB2 SER A 57 -22.764 -16.531 -7.986 1.00 0.61 H new ATOM 0 HB3 SER A 57 -21.425 -17.660 -8.047 1.00 0.61 H new ATOM 0 HG SER A 57 -22.178 -17.308 -5.875 1.00 0.91 H new ATOM 896 N LEU A 58 -20.965 -15.778 -10.799 1.00 0.44 N ATOM 897 CA LEU A 58 -21.470 -15.511 -12.150 1.00 0.49 C ATOM 898 C LEU A 58 -22.486 -16.591 -12.524 1.00 0.60 C ATOM 899 O LEU A 58 -22.331 -17.291 -13.525 1.00 0.89 O ATOM 900 CB LEU A 58 -20.309 -15.487 -13.160 1.00 0.67 C ATOM 901 CG LEU A 58 -19.386 -14.289 -12.929 1.00 0.70 C ATOM 902 CD1 LEU A 58 -18.090 -14.462 -13.721 1.00 0.86 C ATOM 903 CD2 LEU A 58 -20.086 -12.982 -13.312 1.00 0.60 C ATOM 0 H LEU A 58 -20.195 -16.447 -10.770 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.956 -14.535 -12.173 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.735 -16.410 -13.078 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -20.708 -15.449 -14.173 1.00 0.67 H new ATOM 0 HG LEU A 58 -19.141 -14.240 -11.868 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -17.441 -13.603 -13.549 1.00 0.86 H new ATOM 0 HD12 LEU A 58 -17.583 -15.371 -13.396 1.00 0.86 H new ATOM 0 HD13 LEU A 58 -18.320 -14.535 -14.784 1.00 0.86 H new ATOM 0 HD21 LEU A 58 -19.411 -12.144 -13.140 1.00 0.60 H new ATOM 0 HD22 LEU A 58 -20.364 -13.013 -14.366 1.00 0.60 H new ATOM 0 HD23 LEU A 58 -20.982 -12.857 -12.704 1.00 0.60 H new ATOM 915 N LYS A 59 -23.523 -16.724 -11.698 1.00 0.70 N ATOM 916 CA LYS A 59 -24.578 -17.716 -11.906 1.00 0.90 C ATOM 917 C LYS A 59 -25.564 -17.217 -12.966 1.00 0.87 C ATOM 918 O LYS A 59 -26.405 -16.353 -12.688 1.00 0.95 O ATOM 919 CB LYS A 59 -25.303 -17.989 -10.572 1.00 1.13 C ATOM 920 CG LYS A 59 -25.244 -19.471 -10.170 1.00 1.41 C ATOM 921 CD LYS A 59 -26.641 -20.108 -10.149 1.00 1.78 C ATOM 922 CE LYS A 59 -26.709 -21.285 -9.174 1.00 2.18 C ATOM 923 NZ LYS A 59 -26.481 -20.847 -7.768 1.00 2.83 N ATOM 0 H LYS A 59 -23.656 -16.148 -10.867 1.00 0.70 H new ATOM 0 HA LYS A 59 -24.136 -18.647 -12.260 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -24.853 -17.383 -9.786 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -26.344 -17.679 -10.657 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -24.607 -20.013 -10.869 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -24.787 -19.563 -9.185 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -27.379 -19.358 -9.866 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -26.901 -20.449 -11.151 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -27.684 -21.767 -9.252 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -25.962 -22.030 -9.449 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -26.960 -21.503 -7.118 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -25.461 -20.843 -7.567 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -26.863 -19.889 -7.637 1.00 2.83 H new ATOM 937 N GLU A 60 -25.446 -17.760 -14.186 1.00 0.89 N ATOM 938 CA GLU A 60 -26.305 -17.387 -15.325 1.00 0.93 C ATOM 939 C GLU A 60 -26.294 -15.864 -15.518 1.00 0.71 C ATOM 940 O GLU A 60 -27.342 -15.214 -15.514 1.00 0.82 O ATOM 941 CB GLU A 60 -27.737 -17.904 -15.102 1.00 1.20 C ATOM 942 CG GLU A 60 -27.749 -19.407 -14.798 1.00 1.43 C ATOM 943 CD GLU A 60 -29.181 -19.918 -14.691 1.00 1.80 C ATOM 944 OE1 GLU A 60 -29.864 -20.002 -15.728 1.00 2.04 O ATOM 945 OE2 GLU A 60 -29.627 -20.228 -13.570 1.00 2.33 O ATOM 0 H GLU A 60 -24.752 -18.472 -14.414 1.00 0.89 H new ATOM 0 HA GLU A 60 -25.914 -17.849 -16.232 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -28.197 -17.361 -14.277 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -28.339 -17.706 -15.989 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -27.221 -19.947 -15.584 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -27.217 -19.600 -13.866 1.00 1.43 H new ATOM 952 N ALA A 61 -25.093 -15.303 -15.656 1.00 0.51 N ATOM 953 CA ALA A 61 -24.916 -13.860 -15.814 1.00 0.35 C ATOM 954 C ALA A 61 -25.187 -13.429 -17.252 1.00 0.35 C ATOM 955 O ALA A 61 -24.520 -13.884 -18.185 1.00 0.43 O ATOM 956 CB ALA A 61 -23.495 -13.464 -15.409 1.00 0.31 C ATOM 0 H ALA A 61 -24.221 -15.832 -15.661 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.632 -13.354 -15.166 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.369 -12.388 -15.529 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.325 -13.736 -14.367 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.777 -13.986 -16.042 1.00 0.31 H new ATOM 962 N ILE A 62 -26.161 -12.538 -17.423 1.00 0.34 N ATOM 963 CA ILE A 62 -26.522 -12.015 -18.741 1.00 0.37 C ATOM 964 C ILE A 62 -25.684 -10.769 -19.028 1.00 0.31 C ATOM 965 O ILE A 62 -25.586 -9.877 -18.181 1.00 0.31 O ATOM 966 CB ILE A 62 -28.016 -11.658 -18.796 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.890 -12.845 -18.359 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.402 -11.194 -20.209 1.00 0.57 C ATOM 969 CD1 ILE A 62 -28.790 -14.016 -19.333 1.00 1.27 C ATOM 0 H ILE A 62 -26.720 -12.159 -16.658 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.326 -12.780 -19.492 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.193 -10.840 -18.098 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.586 -13.173 -17.365 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -29.929 -12.523 -18.284 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.463 -10.945 -20.233 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -27.816 -10.314 -20.476 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.201 -11.994 -20.922 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -29.423 -14.833 -18.986 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -29.119 -13.696 -20.322 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -27.756 -14.356 -19.388 1.00 1.27 H new ATOM 981 N CYS A 63 -25.086 -10.708 -20.215 1.00 0.34 N ATOM 982 CA CYS A 63 -24.250 -9.569 -20.608 1.00 0.33 C ATOM 983 C CYS A 63 -24.761 -8.967 -21.923 1.00 0.34 C ATOM 984 O CYS A 63 -24.922 -9.676 -22.920 1.00 0.52 O ATOM 985 CB CYS A 63 -22.781 -10.018 -20.736 1.00 0.37 C ATOM 986 SG CYS A 63 -21.674 -9.131 -19.627 1.00 0.53 S ATOM 0 H CYS A 63 -25.163 -11.435 -20.926 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.307 -8.798 -19.840 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.714 -11.086 -20.529 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.450 -9.871 -21.764 1.00 0.37 H new ATOM 0 HG CYS A 63 -22.260 -8.052 -19.200 1.00 0.53 H new ATOM 992 N GLU A 64 -25.014 -7.657 -21.917 1.00 0.26 N ATOM 993 CA GLU A 64 -25.510 -6.935 -23.100 1.00 0.29 C ATOM 994 C GLU A 64 -24.537 -5.812 -23.460 1.00 0.24 C ATOM 995 O GLU A 64 -23.957 -5.188 -22.574 1.00 0.36 O ATOM 996 CB GLU A 64 -26.895 -6.345 -22.816 1.00 0.33 C ATOM 997 CG GLU A 64 -27.881 -7.405 -22.310 1.00 0.81 C ATOM 998 CD GLU A 64 -29.233 -6.766 -22.026 1.00 1.41 C ATOM 999 OE1 GLU A 64 -29.271 -5.763 -21.285 1.00 1.96 O ATOM 1000 OE2 GLU A 64 -30.258 -7.255 -22.547 1.00 1.83 O ATOM 0 H GLU A 64 -24.883 -7.064 -21.097 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.587 -7.632 -23.935 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -26.805 -5.551 -22.075 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.288 -5.890 -23.725 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -27.992 -8.195 -23.053 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.493 -7.872 -21.405 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.363 -5.559 -24.753 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.448 -4.509 -25.228 1.00 0.32 C ATOM 1009 C VAL A 65 -24.154 -3.146 -25.285 1.00 0.31 C ATOM 1010 O VAL A 65 -25.258 -3.028 -25.821 1.00 0.43 O ATOM 1011 CB VAL A 65 -22.906 -4.872 -26.622 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -21.764 -3.931 -27.026 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.426 -6.325 -26.657 1.00 0.39 C ATOM 0 H VAL A 65 -24.842 -6.065 -25.498 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.619 -4.438 -24.523 1.00 0.32 H new ATOM 0 HB VAL A 65 -23.721 -4.757 -27.337 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.397 -4.207 -28.015 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.129 -2.904 -27.048 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -20.953 -4.012 -26.303 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.047 -6.559 -27.652 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -21.631 -6.463 -25.924 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.257 -6.989 -26.420 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.490 -2.117 -24.752 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.003 -0.740 -24.747 1.00 0.31 C ATOM 1025 C ALA A 66 -23.082 0.124 -25.612 1.00 0.34 C ATOM 1026 O ALA A 66 -22.047 0.620 -25.148 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.077 -0.203 -23.314 1.00 0.36 C ATOM 0 H ALA A 66 -22.576 -2.214 -24.309 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.013 -0.715 -25.157 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.459 0.818 -23.327 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -24.743 -0.832 -22.724 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.082 -0.212 -22.870 1.00 0.36 H new ATOM 1033 N LEU A 67 -23.463 0.272 -26.882 1.00 0.55 N ATOM 1034 CA LEU A 67 -22.700 1.051 -27.864 1.00 0.71 C ATOM 1035 C LEU A 67 -23.072 2.536 -27.775 1.00 0.89 C ATOM 1036 O LEU A 67 -22.230 3.408 -27.978 1.00 1.22 O ATOM 1037 CB LEU A 67 -22.987 0.496 -29.276 1.00 0.76 C ATOM 1038 CG LEU A 67 -22.368 1.341 -30.403 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -20.883 1.570 -30.165 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -22.582 0.663 -31.756 1.00 1.39 C ATOM 0 H LEU A 67 -24.312 -0.146 -27.262 1.00 0.55 H new ATOM 0 HA LEU A 67 -21.634 0.963 -27.654 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -22.603 -0.522 -29.343 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -24.065 0.441 -29.424 1.00 0.76 H new ATOM 0 HG LEU A 67 -22.867 2.310 -30.407 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -20.473 2.170 -30.977 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -20.743 2.094 -29.220 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -20.368 0.610 -30.127 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -22.138 1.273 -32.543 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -22.110 -0.320 -31.749 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -23.650 0.551 -31.942 1.00 1.39 H new ATOM 1052 N ASP A 68 -24.338 2.814 -27.467 1.00 0.90 N ATOM 1053 CA ASP A 68 -24.833 4.193 -27.348 1.00 1.14 C ATOM 1054 C ASP A 68 -24.387 4.821 -26.021 1.00 0.87 C ATOM 1055 O ASP A 68 -23.913 5.961 -25.990 1.00 1.00 O ATOM 1056 CB ASP A 68 -26.364 4.203 -27.452 1.00 1.59 C ATOM 1057 CG ASP A 68 -26.873 5.567 -27.909 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -26.804 5.860 -29.121 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -27.352 6.345 -27.062 1.00 2.62 O ATOM 0 H ASP A 68 -25.046 2.101 -27.294 1.00 0.90 H new ATOM 0 HA ASP A 68 -24.413 4.786 -28.161 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -26.689 3.436 -28.155 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -26.799 3.954 -26.484 1.00 1.59 H new ATOM 1064 N TYR A 69 -24.543 4.070 -24.931 1.00 0.81 N ATOM 1065 CA TYR A 69 -24.160 4.528 -23.594 1.00 0.69 C ATOM 1066 C TYR A 69 -22.650 4.349 -23.402 1.00 0.97 C ATOM 1067 O TYR A 69 -22.171 3.221 -23.368 1.00 1.47 O ATOM 1068 CB TYR A 69 -24.932 3.718 -22.533 1.00 0.58 C ATOM 1069 CG TYR A 69 -24.969 4.369 -21.160 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -25.361 5.695 -21.013 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.616 3.634 -20.037 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -25.398 6.272 -19.756 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.654 4.219 -18.783 1.00 0.64 C ATOM 1074 CZ TYR A 69 -25.045 5.533 -18.650 1.00 0.76 C ATOM 1075 OH TYR A 69 -25.092 6.107 -17.403 1.00 0.97 O ATOM 0 H TYR A 69 -24.937 3.129 -24.949 1.00 0.81 H new ATOM 0 HA TYR A 69 -24.407 5.584 -23.484 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -25.954 3.568 -22.879 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -24.477 2.731 -22.443 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -25.637 6.275 -21.881 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -24.311 2.603 -20.142 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -25.704 7.302 -19.643 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -24.377 3.646 -17.910 1.00 0.64 H new ATOM 0 HH TYR A 69 -24.813 5.451 -16.730 1.00 0.97 H new ATOM 1173 N HIS A 74 -16.594 2.108 -24.507 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.620 1.077 -24.720 1.00 0.38 C ATOM 1175 C HIS A 74 -18.151 0.573 -23.374 1.00 0.30 C ATOM 1176 O HIS A 74 -17.369 0.308 -22.453 1.00 0.37 O ATOM 1177 CB HIS A 74 -17.027 -0.101 -25.527 1.00 0.64 C ATOM 1178 CG HIS A 74 -17.455 -0.125 -26.970 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -16.681 0.350 -28.000 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -18.592 -0.565 -27.566 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -17.296 0.219 -29.150 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -18.472 -0.340 -28.922 1.00 1.53 N ATOM 0 HA HIS A 74 -18.445 1.514 -25.283 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -15.939 -0.050 -25.481 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -17.322 -1.038 -25.055 1.00 0.64 H new ATOM 0 HD1 HIS A 74 -15.750 0.752 -27.885 1.00 1.30 H new ATOM 0 HD2 HIS A 74 -19.440 -1.012 -27.068 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -16.910 0.516 -30.114 1.00 1.47 H new ATOM 1190 N VAL A 75 -19.476 0.429 -23.271 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.133 -0.055 -22.045 1.00 0.23 C ATOM 1192 C VAL A 75 -20.812 -1.404 -22.318 1.00 0.22 C ATOM 1193 O VAL A 75 -21.118 -1.745 -23.465 1.00 0.26 O ATOM 1194 CB VAL A 75 -21.190 0.971 -21.568 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.980 0.471 -20.354 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.553 2.313 -21.220 1.00 0.31 C ATOM 0 H VAL A 75 -20.124 0.643 -24.029 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.380 -0.179 -21.266 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.877 1.099 -22.405 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.708 1.226 -20.058 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.499 -0.452 -20.613 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -21.296 0.283 -19.527 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -21.325 3.008 -20.889 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.824 2.174 -20.421 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -20.054 2.718 -22.100 1.00 0.31 H new ATOM 1206 N PHE A 76 -21.082 -2.147 -21.253 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.772 -3.429 -21.338 1.00 0.23 C ATOM 1208 C PHE A 76 -22.478 -3.697 -20.009 1.00 0.22 C ATOM 1209 O PHE A 76 -21.922 -3.455 -18.934 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.820 -4.577 -21.716 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.688 -4.821 -20.741 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -18.546 -4.036 -20.799 1.00 0.26 C ATOM 1213 CD2 PHE A 76 -19.795 -5.811 -19.776 1.00 0.27 C ATOM 1214 CE1 PHE A 76 -17.514 -4.243 -19.901 1.00 0.28 C ATOM 1215 CE2 PHE A 76 -18.759 -6.017 -18.880 1.00 0.29 C ATOM 1216 CZ PHE A 76 -17.610 -5.301 -18.971 1.00 0.29 C ATOM 0 H PHE A 76 -20.828 -1.878 -20.303 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.511 -3.379 -22.138 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.401 -5.494 -21.810 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.395 -4.367 -22.697 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -18.462 -3.261 -21.547 1.00 0.26 H new ATOM 0 HD2 PHE A 76 -20.685 -6.421 -19.723 1.00 0.27 H new ATOM 0 HE1 PHE A 76 -16.645 -3.602 -19.911 1.00 0.28 H new ATOM 0 HE2 PHE A 76 -18.867 -6.756 -18.100 1.00 0.29 H new ATOM 0 HZ PHE A 76 -16.771 -5.540 -18.334 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.710 -4.177 -20.092 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.517 -4.472 -18.906 1.00 0.28 C ATOM 1228 C LYS A 77 -24.193 -5.868 -18.381 1.00 0.31 C ATOM 1229 O LYS A 77 -23.803 -6.749 -19.150 1.00 0.58 O ATOM 1230 CB LYS A 77 -26.009 -4.397 -19.248 1.00 0.36 C ATOM 1231 CG LYS A 77 -26.364 -3.152 -20.062 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.824 -2.751 -19.829 1.00 1.33 C ATOM 1233 CE LYS A 77 -28.458 -2.178 -21.097 1.00 1.76 C ATOM 1234 NZ LYS A 77 -28.898 -3.260 -22.030 1.00 1.95 N ATOM 0 H LYS A 77 -24.181 -4.374 -20.975 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.283 -3.733 -18.140 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.295 -5.287 -19.809 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.590 -4.401 -18.326 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -25.707 -2.329 -19.782 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.199 -3.345 -21.122 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -28.392 -3.620 -19.498 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.876 -2.012 -19.029 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -29.314 -1.558 -20.829 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -27.741 -1.530 -21.602 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -29.760 -2.959 -22.529 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -28.145 -3.449 -22.722 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -29.096 -4.126 -21.489 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.380 -6.064 -17.078 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.135 -7.351 -16.427 1.00 0.24 C ATOM 1250 C LEU A 78 -25.215 -7.577 -15.369 1.00 0.29 C ATOM 1251 O LEU A 78 -25.179 -6.982 -14.288 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.730 -7.373 -15.802 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.230 -8.791 -15.466 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -22.397 -9.076 -13.977 1.00 0.86 C ATOM 1255 CD2 LEU A 78 -22.925 -9.867 -16.307 1.00 0.30 C ATOM 0 H LEU A 78 -24.706 -5.336 -16.443 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.179 -8.156 -17.160 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -22.028 -6.902 -16.490 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.736 -6.773 -14.892 1.00 0.30 H new ATOM 0 HG LEU A 78 -21.170 -8.828 -15.716 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -22.039 -10.082 -13.757 1.00 0.86 H new ATOM 0 HD12 LEU A 78 -21.821 -8.352 -13.401 1.00 0.86 H new ATOM 0 HD13 LEU A 78 -23.450 -8.999 -13.708 1.00 0.86 H new ATOM 0 HD21 LEU A 78 -22.539 -10.849 -16.033 1.00 0.30 H new ATOM 0 HD22 LEU A 78 -23.999 -9.836 -16.123 1.00 0.30 H new ATOM 0 HD23 LEU A 78 -22.733 -9.683 -17.364 1.00 0.30 H new ATOM 1267 N ARG A 79 -26.190 -8.416 -15.707 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.317 -8.716 -14.828 1.00 0.40 C ATOM 1269 C ARG A 79 -27.310 -10.188 -14.416 1.00 0.45 C ATOM 1270 O ARG A 79 -27.298 -11.076 -15.275 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.618 -8.400 -15.572 1.00 0.50 C ATOM 1272 CG ARG A 79 -28.708 -6.918 -15.951 1.00 1.11 C ATOM 1273 CD ARG A 79 -29.799 -6.666 -16.995 1.00 1.51 C ATOM 1274 NE ARG A 79 -31.117 -6.626 -16.363 1.00 1.91 N ATOM 1275 CZ ARG A 79 -32.217 -6.354 -17.052 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -32.762 -7.290 -17.812 1.00 2.93 N ATOM 1277 NH2 ARG A 79 -32.753 -5.142 -16.992 1.00 2.99 N ATOM 0 H ARG A 79 -26.221 -8.908 -16.600 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.236 -8.109 -13.927 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.680 -9.010 -16.473 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -29.469 -8.668 -14.946 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -28.914 -6.326 -15.059 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -27.747 -6.583 -16.341 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -29.607 -5.724 -17.509 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -29.776 -7.452 -17.750 1.00 1.51 H new ATOM 0 HE ARG A 79 -31.193 -6.813 -15.363 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -32.336 -8.215 -17.866 1.00 2.93 H new ATOM 0 HH12 ARG A 79 -33.608 -7.086 -18.344 1.00 2.93 H new ATOM 0 HH21 ARG A 79 -32.319 -4.420 -16.416 1.00 2.99 H new ATOM 0 HH22 ARG A 79 -33.599 -4.932 -17.522 1.00 2.99 H new ATOM 1291 N LEU A 80 -27.343 -10.447 -13.105 1.00 0.54 N ATOM 1292 CA LEU A 80 -27.372 -11.829 -12.596 1.00 0.68 C ATOM 1293 C LEU A 80 -28.804 -12.384 -12.688 1.00 0.84 C ATOM 1294 O LEU A 80 -29.769 -11.620 -12.779 1.00 1.06 O ATOM 1295 CB LEU A 80 -26.874 -11.878 -11.146 1.00 0.82 C ATOM 1296 CG LEU A 80 -25.458 -11.307 -11.008 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -25.007 -11.337 -9.549 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -24.466 -12.077 -11.879 1.00 1.26 C ATOM 0 H LEU A 80 -27.350 -9.729 -12.381 1.00 0.54 H new ATOM 0 HA LEU A 80 -26.710 -12.445 -13.205 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -27.556 -11.315 -10.509 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -26.886 -12.909 -10.793 1.00 0.82 H new ATOM 0 HG LEU A 80 -25.482 -10.272 -11.349 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -24.000 -10.928 -9.471 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -25.689 -10.739 -8.945 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -25.010 -12.366 -9.188 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -23.470 -11.650 -11.761 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -24.450 -13.124 -11.575 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -24.769 -12.008 -12.924 1.00 1.26 H new ATOM 1310 N SER A 81 -28.940 -13.712 -12.674 1.00 1.01 N ATOM 1311 CA SER A 81 -30.254 -14.375 -12.771 1.00 1.23 C ATOM 1312 C SER A 81 -31.141 -14.069 -11.557 1.00 1.40 C ATOM 1313 O SER A 81 -32.348 -13.859 -11.694 1.00 1.92 O ATOM 1314 CB SER A 81 -30.058 -15.892 -12.899 1.00 1.52 C ATOM 1315 OG SER A 81 -29.029 -16.351 -12.021 1.00 2.18 O ATOM 0 H SER A 81 -28.154 -14.358 -12.596 1.00 1.01 H new ATOM 0 HA SER A 81 -30.758 -13.987 -13.656 1.00 1.23 H new ATOM 0 HB2 SER A 81 -30.992 -16.404 -12.669 1.00 1.52 H new ATOM 0 HB3 SER A 81 -29.802 -16.144 -13.928 1.00 1.52 H new ATOM 0 HG SER A 81 -28.153 -16.191 -12.431 1.00 2.18 H new ATOM 1321 N ASP A 82 -30.531 -14.055 -10.378 1.00 1.33 N ATOM 1322 CA ASP A 82 -31.237 -13.786 -9.122 1.00 1.76 C ATOM 1323 C ASP A 82 -30.241 -13.209 -8.111 1.00 1.31 C ATOM 1324 O ASP A 82 -29.881 -13.870 -7.135 1.00 1.74 O ATOM 1325 CB ASP A 82 -31.865 -15.089 -8.585 1.00 2.76 C ATOM 1326 CG ASP A 82 -32.743 -14.833 -7.357 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -33.178 -13.678 -7.166 1.00 3.98 O ATOM 1328 OD2 ASP A 82 -32.997 -15.777 -6.580 1.00 3.77 O ATOM 0 H ASP A 82 -29.533 -14.229 -10.261 1.00 1.33 H new ATOM 0 HA ASP A 82 -32.038 -13.066 -9.289 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -32.463 -15.554 -9.369 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -31.075 -15.794 -8.326 1.00 2.76 H new ATOM 1333 N GLY A 83 -29.781 -11.984 -8.357 1.00 1.09 N ATOM 1334 CA GLY A 83 -28.821 -11.341 -7.467 1.00 1.53 C ATOM 1335 C GLY A 83 -28.901 -9.826 -7.578 1.00 1.31 C ATOM 1336 O GLY A 83 -29.790 -9.200 -6.968 1.00 1.88 O ATOM 0 H GLY A 83 -30.057 -11.420 -9.161 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -29.015 -11.644 -6.438 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -27.813 -11.674 -7.713 1.00 1.53 H new ATOM 1340 N ASN A 84 -27.958 -9.243 -8.344 1.00 0.93 N ATOM 1341 CA ASN A 84 -27.874 -7.796 -8.543 1.00 0.71 C ATOM 1342 C ASN A 84 -27.624 -7.512 -10.020 1.00 0.62 C ATOM 1343 O ASN A 84 -27.324 -8.433 -10.789 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.695 -7.232 -7.731 1.00 0.84 C ATOM 1345 CG ASN A 84 -26.729 -7.664 -6.260 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -25.724 -8.127 -5.722 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -27.866 -7.508 -5.601 1.00 1.32 N ATOM 0 H ASN A 84 -27.237 -9.768 -8.839 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.805 -7.331 -8.218 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -25.759 -7.562 -8.181 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -26.709 -6.143 -7.786 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -27.927 -7.775 -4.618 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -28.682 -7.121 -6.076 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.727 -6.237 -10.398 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.498 -5.779 -11.772 1.00 0.55 C ATOM 1356 C GLU A 85 -26.527 -4.592 -11.755 1.00 0.47 C ATOM 1357 O GLU A 85 -26.645 -3.702 -10.903 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.825 -5.356 -12.400 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.801 -6.539 -12.489 1.00 1.16 C ATOM 1360 CD GLU A 85 -31.147 -6.100 -13.050 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -31.585 -4.972 -12.756 1.00 1.43 O ATOM 1362 OE2 GLU A 85 -31.771 -6.885 -13.786 1.00 1.39 O ATOM 0 H GLU A 85 -27.974 -5.485 -9.754 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.068 -6.589 -12.361 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.272 -4.557 -11.809 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.646 -4.953 -13.397 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.376 -7.318 -13.123 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -29.941 -6.974 -11.499 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.562 -4.592 -12.678 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.555 -3.523 -12.763 1.00 0.31 C ATOM 1371 C TYR A 86 -24.210 -3.189 -14.223 1.00 0.29 C ATOM 1372 O TYR A 86 -24.376 -4.019 -15.121 1.00 0.40 O ATOM 1373 CB TYR A 86 -23.250 -3.958 -12.074 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.400 -4.652 -10.734 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.674 -6.010 -10.671 1.00 0.53 C ATOM 1376 CD2 TYR A 86 -23.217 -3.935 -9.565 1.00 0.57 C ATOM 1377 CE1 TYR A 86 -23.761 -6.644 -9.442 1.00 0.62 C ATOM 1378 CE2 TYR A 86 -23.293 -4.572 -8.338 1.00 0.67 C ATOM 1379 CZ TYR A 86 -23.567 -5.921 -8.281 1.00 0.63 C ATOM 1380 OH TYR A 86 -23.626 -6.549 -7.060 1.00 0.77 O ATOM 0 H TYR A 86 -25.454 -5.323 -13.382 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.983 -2.649 -12.273 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.713 -4.626 -12.748 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.625 -3.076 -11.935 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.820 -6.574 -11.581 1.00 0.53 H new ATOM 0 HD2 TYR A 86 -23.014 -2.875 -9.610 1.00 0.57 H new ATOM 0 HE1 TYR A 86 -23.980 -7.700 -9.392 1.00 0.62 H new ATOM 0 HE2 TYR A 86 -23.138 -4.012 -7.427 1.00 0.67 H new ATOM 0 HH TYR A 86 -23.466 -5.895 -6.348 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.652 -1.989 -14.432 1.00 0.24 N ATOM 1391 CA LEU A 87 -23.183 -1.542 -15.755 1.00 0.23 C ATOM 1392 C LEU A 87 -21.655 -1.499 -15.709 1.00 0.22 C ATOM 1393 O LEU A 87 -21.082 -0.994 -14.735 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.705 -0.136 -16.115 1.00 0.26 C ATOM 1395 CG LEU A 87 -25.233 -0.038 -16.150 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.659 1.270 -16.821 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.856 -1.236 -16.869 1.00 0.38 C ATOM 0 H LEU A 87 -23.512 -1.301 -13.692 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.555 -2.234 -16.511 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.320 0.582 -15.390 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.309 0.151 -17.089 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.595 -0.047 -15.122 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.747 1.331 -16.841 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -25.259 2.114 -16.259 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.275 1.298 -17.841 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.941 -1.133 -16.875 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.490 -1.275 -17.895 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.582 -2.155 -16.350 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.993 -2.028 -16.737 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.526 -2.048 -16.788 1.00 0.19 C ATOM 1411 C PHE A 88 -19.016 -1.298 -18.016 1.00 0.20 C ATOM 1412 O PHE A 88 -19.553 -1.448 -19.110 1.00 0.27 O ATOM 1413 CB PHE A 88 -19.019 -3.492 -16.805 1.00 0.20 C ATOM 1414 CG PHE A 88 -19.024 -4.133 -15.436 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.947 -3.960 -14.580 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -20.107 -4.898 -15.036 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -17.956 -4.552 -13.328 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -20.116 -5.489 -13.786 1.00 0.25 C ATOM 1419 CZ PHE A 88 -19.024 -5.297 -12.923 1.00 0.22 C ATOM 0 H PHE A 88 -21.447 -2.449 -17.548 1.00 0.18 H new ATOM 0 HA PHE A 88 -19.145 -1.548 -15.898 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.640 -4.082 -17.479 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -18.006 -3.511 -17.206 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.101 -3.364 -14.890 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.946 -5.033 -15.702 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.111 -4.423 -12.668 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.956 -6.093 -13.476 1.00 0.25 H new ATOM 0 HZ PHE A 88 -19.030 -5.740 -11.938 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.970 -0.495 -17.827 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.364 0.287 -18.911 1.00 0.26 C ATOM 1431 C GLN A 89 -15.894 -0.116 -19.080 1.00 0.22 C ATOM 1432 O GLN A 89 -15.107 -0.030 -18.132 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.480 1.790 -18.603 1.00 0.32 C ATOM 1434 CG GLN A 89 -17.239 2.651 -19.855 1.00 0.52 C ATOM 1435 CD GLN A 89 -17.931 4.021 -19.763 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -18.444 4.375 -18.591 1.00 1.34 O flip ATOM 1437 NE2 GLN A 89 -17.994 4.753 -20.754 1.00 1.63 N flip ATOM 0 H GLN A 89 -17.518 -0.366 -16.922 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.892 0.083 -19.842 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.470 2.003 -18.201 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.758 2.060 -17.832 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -16.168 2.796 -19.993 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.604 2.120 -20.734 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -17.589 4.449 -21.639 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -18.451 5.662 -20.688 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.532 -0.552 -20.289 1.00 0.22 N ATOM 1447 CA ALA A 90 -14.155 -0.965 -20.602 1.00 0.24 C ATOM 1448 C ALA A 90 -13.410 0.178 -21.291 1.00 0.27 C ATOM 1449 O ALA A 90 -14.026 1.127 -21.777 1.00 0.32 O ATOM 1450 CB ALA A 90 -14.170 -2.203 -21.509 1.00 0.29 C ATOM 0 H ALA A 90 -16.177 -0.630 -21.075 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.642 -1.214 -19.673 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -13.146 -2.501 -21.735 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.682 -3.020 -21.001 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.693 -1.968 -22.436 1.00 0.29 H new ATOM 1456 N LYS A 91 -12.082 0.085 -21.327 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.242 1.118 -21.952 1.00 0.44 C ATOM 1458 C LYS A 91 -11.071 0.870 -23.459 1.00 0.49 C ATOM 1459 O LYS A 91 -10.883 1.817 -24.227 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.869 1.180 -21.260 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.416 -0.184 -20.725 1.00 1.26 C ATOM 1462 CD LYS A 91 -10.031 -0.489 -19.352 1.00 1.43 C ATOM 1463 CE LYS A 91 -8.962 -0.930 -18.348 1.00 1.86 C ATOM 1464 NZ LYS A 91 -8.364 0.230 -17.625 1.00 2.29 N ATOM 0 H LYS A 91 -11.559 -0.696 -20.931 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.746 2.077 -21.829 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -9.127 1.554 -21.966 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.913 1.893 -20.436 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.699 -0.964 -21.432 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -8.329 -0.202 -20.649 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -10.543 0.397 -18.976 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -10.782 -1.272 -19.454 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -9.403 -1.618 -17.627 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -8.177 -1.476 -18.871 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -7.645 -0.111 -16.955 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -7.920 0.875 -18.310 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -9.109 0.736 -17.105 1.00 2.29 H new ATOM 1478 N ASP A 92 -11.133 -0.400 -23.876 1.00 0.49 N ATOM 1479 CA ASP A 92 -10.977 -0.771 -25.294 1.00 0.66 C ATOM 1480 C ASP A 92 -12.118 -1.684 -25.750 1.00 0.59 C ATOM 1481 O ASP A 92 -12.698 -2.422 -24.946 1.00 0.75 O ATOM 1482 CB ASP A 92 -9.628 -1.483 -25.501 1.00 0.84 C ATOM 1483 CG ASP A 92 -9.232 -1.483 -26.974 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -9.609 -2.425 -27.702 1.00 2.01 O ATOM 1485 OD2 ASP A 92 -8.557 -0.531 -27.413 1.00 1.77 O ATOM 0 H ASP A 92 -11.290 -1.192 -23.253 1.00 0.49 H new ATOM 0 HA ASP A 92 -11.005 0.140 -25.892 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -8.856 -0.986 -24.913 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -9.694 -2.509 -25.138 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.409 -1.644 -27.054 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.460 -2.473 -27.669 1.00 0.63 C ATOM 1492 C ASP A 93 -13.085 -3.962 -27.590 1.00 0.49 C ATOM 1493 O ASP A 93 -13.929 -4.808 -27.284 1.00 0.54 O ATOM 1494 CB ASP A 93 -13.657 -2.045 -29.135 1.00 0.83 C ATOM 1495 CG ASP A 93 -14.767 -2.851 -29.815 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -14.472 -3.931 -30.366 1.00 2.13 O ATOM 1497 OD2 ASP A 93 -15.927 -2.403 -29.810 1.00 2.21 O ATOM 0 H ASP A 93 -11.925 -1.037 -27.716 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.394 -2.329 -27.125 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -13.901 -0.983 -29.175 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -12.723 -2.178 -29.682 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.809 -4.277 -27.843 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.321 -5.664 -27.784 1.00 0.41 C ATOM 1504 C GLU A 94 -11.423 -6.205 -26.355 1.00 0.36 C ATOM 1505 O GLU A 94 -11.809 -7.356 -26.140 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.874 -5.745 -28.280 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.784 -5.450 -29.783 1.00 1.21 C ATOM 1508 CD GLU A 94 -8.529 -6.078 -30.380 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -7.476 -5.410 -30.406 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -8.594 -7.240 -30.833 1.00 2.59 O ATOM 0 H GLU A 94 -11.095 -3.592 -28.091 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.945 -6.277 -28.434 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.258 -5.034 -27.730 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -9.473 -6.738 -28.077 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -10.668 -5.839 -30.289 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -9.771 -4.373 -29.947 1.00 1.21 H new ATOM 1517 N GLU A 95 -11.101 -5.356 -25.376 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.173 -5.731 -23.961 1.00 0.29 C ATOM 1519 C GLU A 95 -12.632 -5.957 -23.547 1.00 0.24 C ATOM 1520 O GLU A 95 -12.943 -6.936 -22.871 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.526 -4.651 -23.085 1.00 0.33 C ATOM 1522 CG GLU A 95 -9.953 -5.258 -21.807 1.00 0.42 C ATOM 1523 CD GLU A 95 -9.270 -4.191 -20.971 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -9.960 -3.517 -20.188 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -8.038 -4.031 -21.093 1.00 1.30 O ATOM 0 H GLU A 95 -10.786 -4.399 -25.538 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.623 -6.661 -23.819 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -9.734 -4.152 -23.642 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.265 -3.891 -22.832 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -10.751 -5.725 -21.230 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.240 -6.043 -22.058 1.00 0.42 H new ATOM 1532 N MET A 96 -13.529 -5.059 -23.985 1.00 0.24 N ATOM 1533 CA MET A 96 -14.970 -5.163 -23.691 1.00 0.22 C ATOM 1534 C MET A 96 -15.512 -6.521 -24.155 1.00 0.22 C ATOM 1535 O MET A 96 -16.222 -7.206 -23.415 1.00 0.23 O ATOM 1536 CB MET A 96 -15.719 -4.019 -24.398 1.00 0.26 C ATOM 1537 CG MET A 96 -17.246 -4.187 -24.346 1.00 0.39 C ATOM 1538 SD MET A 96 -17.928 -4.932 -25.844 1.00 0.94 S ATOM 1539 CE MET A 96 -17.340 -3.800 -27.117 1.00 0.77 C ATOM 0 H MET A 96 -13.280 -4.246 -24.549 1.00 0.24 H new ATOM 0 HA MET A 96 -15.124 -5.083 -22.615 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.446 -3.071 -23.935 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.398 -3.969 -25.439 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.509 -4.806 -23.488 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.708 -3.212 -24.189 1.00 0.39 H new ATOM 0 HE1 MET A 96 -18.158 -3.560 -27.796 1.00 0.77 H new ATOM 0 HE2 MET A 96 -16.975 -2.885 -26.650 1.00 0.77 H new ATOM 0 HE3 MET A 96 -16.531 -4.270 -27.676 1.00 0.77 H new ATOM 1549 N ASN A 97 -15.148 -6.908 -25.381 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.570 -8.190 -25.963 1.00 0.28 C ATOM 1551 C ASN A 97 -15.014 -9.367 -25.145 1.00 0.26 C ATOM 1552 O ASN A 97 -15.710 -10.357 -24.913 1.00 0.29 O ATOM 1553 CB ASN A 97 -15.099 -8.277 -27.425 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.749 -9.465 -28.134 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -15.148 -10.531 -28.258 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -16.972 -9.279 -28.601 1.00 1.24 N ATOM 0 H ASN A 97 -14.557 -6.348 -25.996 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.658 -8.247 -25.938 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -15.349 -7.354 -27.948 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -14.014 -8.378 -27.457 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -17.453 -10.036 -29.086 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -17.434 -8.378 -28.476 1.00 1.24 H new ATOM 1563 N THR A 98 -13.764 -9.240 -24.690 1.00 0.25 N ATOM 1564 CA THR A 98 -13.117 -10.279 -23.875 1.00 0.27 C ATOM 1565 C THR A 98 -13.809 -10.402 -22.507 1.00 0.23 C ATOM 1566 O THR A 98 -14.040 -11.513 -22.022 1.00 0.27 O ATOM 1567 CB THR A 98 -11.623 -9.953 -23.695 1.00 0.31 C ATOM 1568 OG1 THR A 98 -11.044 -9.593 -24.943 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.860 -11.146 -23.111 1.00 0.39 C ATOM 0 H THR A 98 -13.176 -8.426 -24.872 1.00 0.25 H new ATOM 0 HA THR A 98 -13.209 -11.235 -24.391 1.00 0.27 H new ATOM 0 HB THR A 98 -11.549 -9.117 -23.000 1.00 0.31 H new ATOM 0 HG1 THR A 98 -11.159 -8.631 -25.092 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.808 -10.884 -22.996 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.278 -11.404 -22.138 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.950 -12.000 -23.783 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.153 -9.256 -21.903 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.837 -9.219 -20.600 1.00 0.20 C ATOM 1579 C TRP A 99 -16.203 -9.906 -20.696 1.00 0.21 C ATOM 1580 O TRP A 99 -16.519 -10.784 -19.898 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.022 -7.759 -20.133 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.818 -7.182 -19.436 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.057 -6.124 -19.857 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.242 -7.618 -18.181 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.064 -5.903 -18.945 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.142 -6.789 -17.917 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.549 -8.626 -17.260 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.359 -6.943 -16.784 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -12.768 -8.784 -16.122 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.683 -7.947 -15.885 1.00 0.29 C ATOM 0 H TRP A 99 -13.967 -8.335 -22.299 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.222 -9.750 -19.874 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.260 -7.139 -20.997 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.878 -7.709 -19.459 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.216 -5.557 -20.762 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.358 -5.171 -19.025 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.391 -9.280 -17.434 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.514 -6.294 -16.605 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.006 -9.565 -15.414 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.088 -8.080 -14.993 1.00 0.29 H new ATOM 1601 N ILE A 100 -17.002 -9.500 -21.687 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.342 -10.064 -21.910 1.00 0.24 C ATOM 1603 C ILE A 100 -18.275 -11.587 -22.114 1.00 0.28 C ATOM 1604 O ILE A 100 -19.048 -12.334 -21.512 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.995 -9.369 -23.116 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.408 -7.942 -22.732 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.205 -10.158 -23.630 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.960 -7.171 -23.930 1.00 0.29 C ATOM 0 H ILE A 100 -16.743 -8.775 -22.356 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.954 -9.885 -21.026 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.264 -9.327 -23.923 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.162 -7.981 -21.946 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.548 -7.412 -22.323 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.643 -9.639 -24.483 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.886 -11.154 -23.937 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.948 -10.243 -22.837 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -20.241 -6.165 -23.617 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -19.197 -7.110 -24.706 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.836 -7.687 -24.323 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.335 -12.042 -22.947 1.00 0.29 N ATOM 1621 CA GLN A 101 -17.158 -13.477 -23.212 1.00 0.35 C ATOM 1622 C GLN A 101 -16.688 -14.215 -21.946 1.00 0.36 C ATOM 1623 O GLN A 101 -17.150 -15.320 -21.656 1.00 0.43 O ATOM 1624 CB GLN A 101 -16.156 -13.684 -24.354 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.798 -13.395 -25.717 1.00 0.48 C ATOM 1626 CD GLN A 101 -15.979 -14.024 -26.842 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -16.101 -15.217 -27.115 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -15.153 -13.232 -27.502 1.00 1.76 N ATOM 0 H GLN A 101 -16.684 -11.440 -23.451 1.00 0.29 H new ATOM 0 HA GLN A 101 -18.121 -13.892 -23.509 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -15.296 -13.031 -24.209 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.785 -14.709 -24.334 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -17.815 -13.788 -25.737 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -16.869 -12.318 -25.870 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -15.078 -12.247 -27.247 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -14.590 -13.605 -28.266 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.784 -13.588 -21.183 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.262 -14.175 -19.936 1.00 0.37 C ATOM 1639 C ALA A 102 -16.363 -14.267 -18.874 1.00 0.38 C ATOM 1640 O ALA A 102 -16.414 -15.224 -18.103 1.00 0.48 O ATOM 1641 CB ALA A 102 -14.093 -13.333 -19.406 1.00 0.38 C ATOM 0 H ALA A 102 -15.396 -12.671 -21.406 1.00 0.32 H new ATOM 0 HA ALA A 102 -14.908 -15.183 -20.154 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -13.715 -13.775 -18.484 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.297 -13.307 -20.150 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.437 -12.318 -19.207 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.240 -13.265 -18.846 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.354 -13.207 -17.890 1.00 0.38 C ATOM 1649 C ILE A 103 -19.447 -14.224 -18.255 1.00 0.47 C ATOM 1650 O ILE A 103 -20.056 -14.831 -17.373 1.00 0.55 O ATOM 1651 CB ILE A 103 -18.921 -11.774 -17.867 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -17.945 -10.827 -17.159 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.291 -11.708 -17.186 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.158 -9.372 -17.580 1.00 0.35 C ATOM 0 H ILE A 103 -17.202 -12.469 -19.483 1.00 0.33 H new ATOM 0 HA ILE A 103 -17.989 -13.467 -16.896 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.049 -11.461 -18.903 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.071 -10.915 -16.080 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -16.921 -11.125 -17.385 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.652 -10.679 -17.193 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -20.995 -12.343 -17.723 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.203 -12.054 -16.156 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.447 -8.734 -17.056 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -18.006 -9.278 -18.655 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.174 -9.066 -17.329 1.00 0.35 H new ATOM 1666 N SER A 104 -19.691 -14.407 -19.558 1.00 0.53 N ATOM 1667 CA SER A 104 -20.712 -15.351 -20.037 1.00 0.66 C ATOM 1668 C SER A 104 -20.281 -16.802 -19.781 1.00 0.72 C ATOM 1669 O SER A 104 -21.084 -17.628 -19.344 1.00 0.89 O ATOM 1670 CB SER A 104 -20.973 -15.137 -21.535 1.00 0.81 C ATOM 1671 OG SER A 104 -21.277 -13.771 -21.817 1.00 1.05 O ATOM 0 H SER A 104 -19.196 -13.914 -20.301 1.00 0.53 H new ATOM 0 HA SER A 104 -21.633 -15.163 -19.484 1.00 0.66 H new ATOM 0 HB2 SER A 104 -20.097 -15.443 -22.107 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.800 -15.770 -21.857 1.00 0.81 H new ATOM 0 HG SER A 104 -20.444 -13.270 -21.944 1.00 1.05 H new ATOM 1677 N SER A 105 -19.008 -17.103 -20.053 1.00 0.80 N ATOM 1678 CA SER A 105 -18.465 -18.452 -19.854 1.00 1.13 C ATOM 1679 C SER A 105 -18.149 -18.706 -18.375 1.00 1.23 C ATOM 1680 O SER A 105 -18.477 -19.768 -17.839 1.00 1.61 O ATOM 1681 CB SER A 105 -17.192 -18.631 -20.692 1.00 1.48 C ATOM 1682 OG SER A 105 -17.443 -18.335 -22.061 1.00 1.63 O ATOM 0 H SER A 105 -18.332 -16.429 -20.413 1.00 0.80 H new ATOM 0 HA SER A 105 -19.218 -19.172 -20.174 1.00 1.13 H new ATOM 0 HB2 SER A 105 -16.406 -17.978 -20.312 1.00 1.48 H new ATOM 0 HB3 SER A 105 -16.829 -19.655 -20.597 1.00 1.48 H new ATOM 0 HG SER A 105 -17.404 -17.366 -22.199 1.00 1.63 H new ATOM 1688 N ALA A 106 -17.508 -17.729 -17.730 1.00 1.29 N ATOM 1689 CA ALA A 106 -17.125 -17.816 -16.318 1.00 1.59 C ATOM 1690 C ALA A 106 -16.100 -18.935 -16.104 1.00 2.40 C ATOM 1691 O ALA A 106 -15.214 -19.114 -16.971 1.00 3.00 O ATOM 1692 CB ALA A 106 -18.363 -18.027 -15.439 1.00 1.90 C ATOM 1693 OXT ALA A 106 -16.178 -19.637 -15.077 1.00 3.05 O ATOM 0 H ALA A 106 -17.239 -16.851 -18.174 1.00 1.29 H new ATOM 0 HA ALA A 106 -16.659 -16.875 -16.026 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -18.061 -18.089 -14.394 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -19.049 -17.190 -15.569 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -18.861 -18.952 -15.728 1.00 1.90 H new