USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 625 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 35 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.011) USER MOD Single : A 1 MET N :NH3+ 170:sc= -0.386 (180deg=-0.596) USER MOD Single : A 2 SER OG : rot 180:sc= -0.122 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.388 K(o=-0.39,f=-10!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.46! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -82:sc= 0.513 USER MOD Single : A 43 ASN :FLIP amide:sc= -0.812 F(o=-3,f=-0.81) USER MOD Single : A 46 LYS NZ :NH3+ -144:sc= -0.618 (180deg=-1.08) USER MOD Single : A 49 LYS NZ :NH3+ -144:sc= -0.0858 (180deg=-0.589) USER MOD Single : A 50 THR OG1 : rot 127:sc= -3.65! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.94! C(o=-1.9!,f=-9.3!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 40:sc= 0.089 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0284 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.165) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.304 -8.344 0.346 1.00 3.74 N ATOM 2 CA MET A 1 6.824 -7.079 0.895 1.00 2.89 C ATOM 3 C MET A 1 7.891 -6.427 1.768 1.00 1.84 C ATOM 4 O MET A 1 9.039 -6.871 1.795 1.00 2.23 O ATOM 5 CB MET A 1 5.544 -7.303 1.708 1.00 3.49 C ATOM 6 CG MET A 1 5.439 -8.696 2.311 1.00 4.20 C ATOM 7 SD MET A 1 3.820 -9.018 3.037 1.00 5.48 S ATOM 8 CE MET A 1 2.890 -9.502 1.584 1.00 6.28 C ATOM 0 H1 MET A 1 6.514 -8.850 -0.102 1.00 3.74 H new ATOM 0 H2 MET A 1 8.042 -8.157 -0.363 1.00 3.74 H new ATOM 0 H3 MET A 1 7.699 -8.927 1.111 1.00 3.74 H new ATOM 0 HA MET A 1 6.603 -6.410 0.064 1.00 2.89 H new ATOM 0 HB2 MET A 1 5.499 -6.565 2.509 1.00 3.49 H new ATOM 0 HB3 MET A 1 4.681 -7.129 1.066 1.00 3.49 H new ATOM 0 HG2 MET A 1 5.641 -9.438 1.539 1.00 4.20 H new ATOM 0 HG3 MET A 1 6.206 -8.815 3.076 1.00 4.20 H new ATOM 0 HE1 MET A 1 1.864 -9.734 1.869 1.00 6.28 H new ATOM 0 HE2 MET A 1 2.890 -8.685 0.863 1.00 6.28 H new ATOM 0 HE3 MET A 1 3.349 -10.382 1.134 1.00 6.28 H new ATOM 18 N SER A 2 7.503 -5.370 2.481 1.00 1.27 N ATOM 19 CA SER A 2 8.424 -4.652 3.359 1.00 0.64 C ATOM 20 C SER A 2 9.626 -4.133 2.588 1.00 0.57 C ATOM 21 O SER A 2 10.687 -3.897 3.167 1.00 0.62 O ATOM 22 CB SER A 2 8.885 -5.557 4.505 1.00 1.37 C ATOM 23 OG SER A 2 8.012 -6.662 4.669 1.00 2.15 O ATOM 0 H SER A 2 6.556 -4.992 2.467 1.00 1.27 H new ATOM 0 HA SER A 2 7.891 -3.797 3.775 1.00 0.64 H new ATOM 0 HB2 SER A 2 9.895 -5.915 4.305 1.00 1.37 H new ATOM 0 HB3 SER A 2 8.927 -4.983 5.431 1.00 1.37 H new ATOM 0 HG SER A 2 8.331 -7.224 5.406 1.00 2.15 H new ATOM 29 N ILE A 3 9.467 -3.967 1.280 1.00 0.57 N ATOM 30 CA ILE A 3 10.552 -3.491 0.439 1.00 0.52 C ATOM 31 C ILE A 3 10.899 -2.029 0.714 1.00 0.43 C ATOM 32 O ILE A 3 11.977 -1.561 0.344 1.00 0.47 O ATOM 33 CB ILE A 3 10.213 -3.672 -1.056 1.00 0.54 C ATOM 34 CG1 ILE A 3 9.852 -5.145 -1.327 1.00 0.67 C ATOM 35 CG2 ILE A 3 11.374 -3.206 -1.931 1.00 0.53 C ATOM 36 CD1 ILE A 3 10.505 -5.746 -2.556 1.00 0.52 C ATOM 0 H ILE A 3 8.597 -4.156 0.782 1.00 0.57 H new ATOM 0 HA ILE A 3 11.425 -4.096 0.686 1.00 0.52 H new ATOM 0 HB ILE A 3 9.351 -3.055 -1.310 1.00 0.54 H new ATOM 0 HG12 ILE A 3 10.133 -5.739 -0.457 1.00 0.67 H new ATOM 0 HG13 ILE A 3 8.770 -5.225 -1.432 1.00 0.67 H new ATOM 0 HG21 ILE A 3 11.115 -3.342 -2.981 1.00 0.53 H new ATOM 0 HG22 ILE A 3 11.573 -2.152 -1.740 1.00 0.53 H new ATOM 0 HG23 ILE A 3 12.263 -3.792 -1.698 1.00 0.53 H new ATOM 0 HD11 ILE A 3 10.191 -6.784 -2.664 1.00 0.52 H new ATOM 0 HD12 ILE A 3 10.205 -5.183 -3.440 1.00 0.52 H new ATOM 0 HD13 ILE A 3 11.589 -5.704 -2.449 1.00 0.52 H new ATOM 48 N TRP A 4 9.992 -1.304 1.360 1.00 0.37 N ATOM 49 CA TRP A 4 10.234 0.103 1.660 1.00 0.31 C ATOM 50 C TRP A 4 10.004 0.420 3.132 1.00 0.34 C ATOM 51 O TRP A 4 9.383 -0.352 3.860 1.00 0.39 O ATOM 52 CB TRP A 4 9.356 0.987 0.775 1.00 0.31 C ATOM 53 CG TRP A 4 9.713 0.873 -0.672 1.00 0.27 C ATOM 54 CD1 TRP A 4 9.169 0.018 -1.585 1.00 0.27 C ATOM 55 CD2 TRP A 4 10.709 1.629 -1.371 1.00 0.25 C ATOM 56 NE1 TRP A 4 9.769 0.193 -2.808 1.00 0.25 N ATOM 57 CE2 TRP A 4 10.714 1.177 -2.704 1.00 0.24 C ATOM 58 CE3 TRP A 4 11.595 2.644 -0.998 1.00 0.26 C ATOM 59 CZ2 TRP A 4 11.572 1.707 -3.664 1.00 0.25 C ATOM 60 CZ3 TRP A 4 12.445 3.168 -1.954 1.00 0.26 C ATOM 61 CH2 TRP A 4 12.429 2.699 -3.272 1.00 0.26 C ATOM 0 H TRP A 4 9.093 -1.662 1.683 1.00 0.37 H new ATOM 0 HA TRP A 4 11.282 0.312 1.446 1.00 0.31 H new ATOM 0 HB2 TRP A 4 8.311 0.710 0.912 1.00 0.31 H new ATOM 0 HB3 TRP A 4 9.455 2.026 1.091 1.00 0.31 H new ATOM 0 HD1 TRP A 4 8.382 -0.692 -1.377 1.00 0.27 H new ATOM 0 HE1 TRP A 4 9.546 -0.327 -3.657 1.00 0.25 H new ATOM 0 HE3 TRP A 4 11.615 3.012 0.017 1.00 0.26 H new ATOM 0 HZ2 TRP A 4 11.561 1.348 -4.682 1.00 0.25 H new ATOM 0 HZ3 TRP A 4 13.133 3.953 -1.679 1.00 0.26 H new ATOM 0 HH2 TRP A 4 13.107 3.129 -3.995 1.00 0.26 H new ATOM 72 N LYS A 5 10.523 1.569 3.558 1.00 0.32 N ATOM 73 CA LYS A 5 10.398 2.009 4.940 1.00 0.36 C ATOM 74 C LYS A 5 10.047 3.489 5.028 1.00 0.35 C ATOM 75 O LYS A 5 10.260 4.247 4.083 1.00 0.31 O ATOM 76 CB LYS A 5 11.705 1.753 5.677 1.00 0.39 C ATOM 77 CG LYS A 5 11.638 0.590 6.634 1.00 0.93 C ATOM 78 CD LYS A 5 12.270 0.955 7.961 1.00 0.71 C ATOM 79 CE LYS A 5 12.554 -0.277 8.805 1.00 1.55 C ATOM 80 NZ LYS A 5 12.978 0.083 10.185 1.00 1.94 N ATOM 0 H LYS A 5 11.037 2.215 2.959 1.00 0.32 H new ATOM 0 HA LYS A 5 9.589 1.442 5.401 1.00 0.36 H new ATOM 0 HB2 LYS A 5 12.494 1.568 4.948 1.00 0.39 H new ATOM 0 HB3 LYS A 5 11.984 2.651 6.228 1.00 0.39 H new ATOM 0 HG2 LYS A 5 10.599 0.298 6.788 1.00 0.93 H new ATOM 0 HG3 LYS A 5 12.151 -0.271 6.205 1.00 0.93 H new ATOM 0 HD2 LYS A 5 13.199 1.498 7.785 1.00 0.71 H new ATOM 0 HD3 LYS A 5 11.607 1.626 8.508 1.00 0.71 H new ATOM 0 HE2 LYS A 5 11.661 -0.900 8.850 1.00 1.55 H new ATOM 0 HE3 LYS A 5 13.334 -0.872 8.329 1.00 1.55 H new ATOM 0 HZ1 LYS A 5 13.162 -0.784 10.729 1.00 1.94 H new ATOM 0 HZ2 LYS A 5 13.845 0.656 10.143 1.00 1.94 H new ATOM 0 HZ3 LYS A 5 12.224 0.629 10.649 1.00 1.94 H new ATOM 94 N GLU A 6 9.526 3.893 6.184 1.00 0.37 N ATOM 95 CA GLU A 6 9.165 5.284 6.417 1.00 0.37 C ATOM 96 C GLU A 6 10.213 5.958 7.296 1.00 0.32 C ATOM 97 O GLU A 6 10.268 5.728 8.505 1.00 0.37 O ATOM 98 CB GLU A 6 7.783 5.378 7.074 1.00 0.45 C ATOM 99 CG GLU A 6 7.426 6.779 7.545 1.00 1.05 C ATOM 100 CD GLU A 6 7.397 6.896 9.056 1.00 2.02 C ATOM 101 OE1 GLU A 6 6.646 6.130 9.696 1.00 2.26 O ATOM 102 OE2 GLU A 6 8.125 7.752 9.600 1.00 2.86 O ATOM 0 H GLU A 6 9.345 3.273 6.974 1.00 0.37 H new ATOM 0 HA GLU A 6 9.127 5.798 5.457 1.00 0.37 H new ATOM 0 HB2 GLU A 6 7.029 5.039 6.364 1.00 0.45 H new ATOM 0 HB3 GLU A 6 7.748 4.698 7.925 1.00 0.45 H new ATOM 0 HG2 GLU A 6 8.149 7.489 7.143 1.00 1.05 H new ATOM 0 HG3 GLU A 6 6.451 7.056 7.144 1.00 1.05 H new ATOM 109 N ALA A 7 11.038 6.793 6.678 1.00 0.27 N ATOM 110 CA ALA A 7 12.085 7.508 7.395 1.00 0.25 C ATOM 111 C ALA A 7 11.871 9.014 7.294 1.00 0.26 C ATOM 112 O ALA A 7 11.118 9.484 6.441 1.00 0.28 O ATOM 113 CB ALA A 7 13.454 7.124 6.856 1.00 0.22 C ATOM 0 H ALA A 7 11.002 6.992 5.678 1.00 0.27 H new ATOM 0 HA ALA A 7 12.038 7.226 8.447 1.00 0.25 H new ATOM 0 HB1 ALA A 7 14.225 7.667 7.402 1.00 0.22 H new ATOM 0 HB2 ALA A 7 13.607 6.052 6.981 1.00 0.22 H new ATOM 0 HB3 ALA A 7 13.512 7.377 5.797 1.00 0.22 H new ATOM 119 N LYS A 8 12.526 9.769 8.171 1.00 0.27 N ATOM 120 CA LYS A 8 12.387 11.221 8.167 1.00 0.31 C ATOM 121 C LYS A 8 13.729 11.880 7.858 1.00 0.31 C ATOM 122 O LYS A 8 14.758 11.497 8.413 1.00 0.29 O ATOM 123 CB LYS A 8 11.867 11.701 9.525 1.00 0.34 C ATOM 124 CG LYS A 8 10.765 12.737 9.425 1.00 0.41 C ATOM 125 CD LYS A 8 9.531 12.317 10.206 1.00 0.51 C ATOM 126 CE LYS A 8 8.699 13.517 10.625 1.00 1.09 C ATOM 127 NZ LYS A 8 8.636 13.660 12.106 1.00 1.32 N ATOM 0 H LYS A 8 13.153 9.403 8.888 1.00 0.27 H new ATOM 0 HA LYS A 8 11.673 11.503 7.394 1.00 0.31 H new ATOM 0 HB2 LYS A 8 11.497 10.843 10.086 1.00 0.34 H new ATOM 0 HB3 LYS A 8 12.697 12.120 10.094 1.00 0.34 H new ATOM 0 HG2 LYS A 8 11.128 13.693 9.803 1.00 0.41 H new ATOM 0 HG3 LYS A 8 10.500 12.888 8.378 1.00 0.41 H new ATOM 0 HD2 LYS A 8 8.924 11.648 9.596 1.00 0.51 H new ATOM 0 HD3 LYS A 8 9.833 11.756 11.091 1.00 0.51 H new ATOM 0 HE2 LYS A 8 9.123 14.422 10.191 1.00 1.09 H new ATOM 0 HE3 LYS A 8 7.689 13.415 10.227 1.00 1.09 H new ATOM 0 HZ1 LYS A 8 8.059 14.490 12.350 1.00 1.32 H new ATOM 0 HZ2 LYS A 8 8.208 12.807 12.519 1.00 1.32 H new ATOM 0 HZ3 LYS A 8 9.597 13.783 12.484 1.00 1.32 H new ATOM 141 N ASP A 9 13.714 12.863 6.962 1.00 0.36 N ATOM 142 CA ASP A 9 14.935 13.563 6.575 1.00 0.39 C ATOM 143 C ASP A 9 15.511 14.358 7.743 1.00 0.42 C ATOM 144 O ASP A 9 14.963 14.347 8.845 1.00 0.43 O ATOM 145 CB ASP A 9 14.659 14.499 5.396 1.00 0.44 C ATOM 146 CG ASP A 9 15.895 14.749 4.552 1.00 0.48 C ATOM 147 OD1 ASP A 9 16.764 13.855 4.492 1.00 0.78 O ATOM 148 OD2 ASP A 9 15.994 15.841 3.953 1.00 0.59 O ATOM 0 H ASP A 9 12.871 13.192 6.491 1.00 0.36 H new ATOM 0 HA ASP A 9 15.668 12.814 6.276 1.00 0.39 H new ATOM 0 HB2 ASP A 9 13.876 14.069 4.771 1.00 0.44 H new ATOM 0 HB3 ASP A 9 14.281 15.450 5.772 1.00 0.44 H new ATOM 153 N ALA A 10 16.620 15.047 7.492 1.00 0.44 N ATOM 154 CA ALA A 10 17.276 15.850 8.516 1.00 0.48 C ATOM 155 C ALA A 10 16.367 16.978 8.987 1.00 0.51 C ATOM 156 O ALA A 10 16.568 17.545 10.062 1.00 0.54 O ATOM 157 CB ALA A 10 18.587 16.411 7.988 1.00 0.51 C ATOM 0 H ALA A 10 17.084 15.064 6.584 1.00 0.44 H new ATOM 0 HA ALA A 10 17.489 15.206 9.370 1.00 0.48 H new ATOM 0 HB1 ALA A 10 19.066 17.009 8.764 1.00 0.51 H new ATOM 0 HB2 ALA A 10 19.246 15.590 7.704 1.00 0.51 H new ATOM 0 HB3 ALA A 10 18.391 17.037 7.117 1.00 0.51 H new ATOM 163 N SER A 11 15.364 17.297 8.176 1.00 0.52 N ATOM 164 CA SER A 11 14.418 18.354 8.507 1.00 0.56 C ATOM 165 C SER A 11 13.121 17.764 9.050 1.00 0.50 C ATOM 166 O SER A 11 12.353 18.446 9.728 1.00 0.61 O ATOM 167 CB SER A 11 14.125 19.211 7.274 1.00 0.71 C ATOM 168 OG SER A 11 14.511 20.559 7.485 1.00 1.00 O ATOM 0 H SER A 11 15.186 16.837 7.283 1.00 0.52 H new ATOM 0 HA SER A 11 14.865 18.983 9.277 1.00 0.56 H new ATOM 0 HB2 SER A 11 14.657 18.808 6.412 1.00 0.71 H new ATOM 0 HB3 SER A 11 13.061 19.166 7.041 1.00 0.71 H new ATOM 0 HG SER A 11 14.315 21.085 6.682 1.00 1.00 H new ATOM 174 N GLY A 12 12.881 16.495 8.732 1.00 0.52 N ATOM 175 CA GLY A 12 11.674 15.834 9.181 1.00 0.47 C ATOM 176 C GLY A 12 10.693 15.584 8.049 1.00 0.53 C ATOM 177 O GLY A 12 9.490 15.462 8.276 1.00 0.59 O ATOM 0 H GLY A 12 13.504 15.914 8.170 1.00 0.52 H new ATOM 0 HA2 GLY A 12 11.936 14.884 9.647 1.00 0.47 H new ATOM 0 HA3 GLY A 12 11.193 16.443 9.946 1.00 0.47 H new ATOM 181 N ARG A 13 11.216 15.494 6.828 1.00 0.56 N ATOM 182 CA ARG A 13 10.391 15.242 5.652 1.00 0.64 C ATOM 183 C ARG A 13 10.202 13.740 5.449 1.00 0.56 C ATOM 184 O ARG A 13 11.131 12.958 5.656 1.00 0.52 O ATOM 185 CB ARG A 13 11.043 15.864 4.416 1.00 0.75 C ATOM 186 CG ARG A 13 11.463 17.310 4.618 1.00 0.87 C ATOM 187 CD ARG A 13 12.898 17.544 4.173 1.00 0.97 C ATOM 188 NE ARG A 13 13.078 17.284 2.748 1.00 1.24 N ATOM 189 CZ ARG A 13 13.040 18.230 1.814 1.00 1.60 C ATOM 190 NH1 ARG A 13 12.827 19.494 2.155 1.00 1.53 N ATOM 191 NH2 ARG A 13 13.214 17.913 0.539 1.00 2.38 N ATOM 0 H ARG A 13 12.211 15.593 6.628 1.00 0.56 H new ATOM 0 HA ARG A 13 9.412 15.697 5.804 1.00 0.64 H new ATOM 0 HB2 ARG A 13 11.918 15.275 4.140 1.00 0.75 H new ATOM 0 HB3 ARG A 13 10.345 15.809 3.580 1.00 0.75 H new ATOM 0 HG2 ARG A 13 10.796 17.965 4.057 1.00 0.87 H new ATOM 0 HG3 ARG A 13 11.360 17.576 5.670 1.00 0.87 H new ATOM 0 HD2 ARG A 13 13.182 18.573 4.392 1.00 0.97 H new ATOM 0 HD3 ARG A 13 13.565 16.900 4.746 1.00 0.97 H new ATOM 0 HE ARG A 13 13.242 16.322 2.452 1.00 1.24 H new ATOM 0 HH11 ARG A 13 12.692 19.742 3.135 1.00 1.53 H new ATOM 0 HH12 ARG A 13 12.798 20.218 1.437 1.00 1.53 H new ATOM 0 HH21 ARG A 13 13.377 16.942 0.273 1.00 2.38 H new ATOM 0 HH22 ARG A 13 13.184 18.640 -0.176 1.00 2.38 H new ATOM 205 N ILE A 14 8.991 13.334 5.076 1.00 0.56 N ATOM 206 CA ILE A 14 8.689 11.919 4.888 1.00 0.50 C ATOM 207 C ILE A 14 9.162 11.395 3.534 1.00 0.44 C ATOM 208 O ILE A 14 8.725 11.857 2.479 1.00 0.48 O ATOM 209 CB ILE A 14 7.178 11.639 5.024 1.00 0.55 C ATOM 210 CG1 ILE A 14 6.604 12.361 6.249 1.00 0.68 C ATOM 211 CG2 ILE A 14 6.922 10.140 5.114 1.00 0.55 C ATOM 212 CD1 ILE A 14 7.204 11.911 7.566 1.00 1.13 C ATOM 0 H ILE A 14 8.207 13.962 4.899 1.00 0.56 H new ATOM 0 HA ILE A 14 9.233 11.396 5.675 1.00 0.50 H new ATOM 0 HB ILE A 14 6.674 12.021 4.136 1.00 0.55 H new ATOM 0 HG12 ILE A 14 6.766 13.433 6.135 1.00 0.68 H new ATOM 0 HG13 ILE A 14 5.526 12.203 6.279 1.00 0.68 H new ATOM 0 HG21 ILE A 14 5.851 9.959 5.210 1.00 0.55 H new ATOM 0 HG22 ILE A 14 7.293 9.653 4.213 1.00 0.55 H new ATOM 0 HG23 ILE A 14 7.438 9.734 5.984 1.00 0.55 H new ATOM 0 HD11 ILE A 14 6.746 12.468 8.384 1.00 1.13 H new ATOM 0 HD12 ILE A 14 7.020 10.846 7.705 1.00 1.13 H new ATOM 0 HD13 ILE A 14 8.278 12.095 7.558 1.00 1.13 H new ATOM 224 N TYR A 15 10.055 10.412 3.592 1.00 0.37 N ATOM 225 CA TYR A 15 10.604 9.785 2.394 1.00 0.32 C ATOM 226 C TYR A 15 10.697 8.271 2.572 1.00 0.26 C ATOM 227 O TYR A 15 10.956 7.780 3.670 1.00 0.24 O ATOM 228 CB TYR A 15 11.979 10.369 2.056 1.00 0.32 C ATOM 229 CG TYR A 15 13.091 9.926 2.983 1.00 0.28 C ATOM 230 CD1 TYR A 15 13.316 10.572 4.190 1.00 0.27 C ATOM 231 CD2 TYR A 15 13.921 8.863 2.642 1.00 0.29 C ATOM 232 CE1 TYR A 15 14.333 10.175 5.034 1.00 0.25 C ATOM 233 CE2 TYR A 15 14.942 8.459 3.482 1.00 0.27 C ATOM 234 CZ TYR A 15 15.143 9.118 4.677 1.00 0.24 C ATOM 235 OH TYR A 15 16.159 8.718 5.514 1.00 0.25 O ATOM 0 H TYR A 15 10.417 10.029 4.465 1.00 0.37 H new ATOM 0 HA TYR A 15 9.929 9.994 1.564 1.00 0.32 H new ATOM 0 HB2 TYR A 15 12.239 10.087 1.036 1.00 0.32 H new ATOM 0 HB3 TYR A 15 11.914 11.457 2.080 1.00 0.32 H new ATOM 0 HD1 TYR A 15 12.684 11.400 4.474 1.00 0.27 H new ATOM 0 HD2 TYR A 15 13.765 8.346 1.707 1.00 0.29 H new ATOM 0 HE1 TYR A 15 14.494 10.690 5.970 1.00 0.25 H new ATOM 0 HE2 TYR A 15 15.579 7.632 3.204 1.00 0.27 H new ATOM 0 HH TYR A 15 16.633 7.960 5.114 1.00 0.25 H new ATOM 245 N TYR A 16 10.476 7.538 1.485 1.00 0.25 N ATOM 246 CA TYR A 16 10.526 6.081 1.517 1.00 0.23 C ATOM 247 C TYR A 16 11.913 5.575 1.149 1.00 0.21 C ATOM 248 O TYR A 16 12.460 5.935 0.107 1.00 0.22 O ATOM 249 CB TYR A 16 9.475 5.504 0.569 1.00 0.27 C ATOM 250 CG TYR A 16 8.072 5.997 0.855 1.00 0.25 C ATOM 251 CD1 TYR A 16 7.702 6.371 2.141 1.00 0.40 C ATOM 252 CD2 TYR A 16 7.121 6.082 -0.151 1.00 0.21 C ATOM 253 CE1 TYR A 16 6.426 6.818 2.418 1.00 0.40 C ATOM 254 CE2 TYR A 16 5.840 6.530 0.116 1.00 0.27 C ATOM 255 CZ TYR A 16 5.497 6.895 1.401 1.00 0.30 C ATOM 256 OH TYR A 16 4.223 7.339 1.671 1.00 0.35 O ATOM 0 H TYR A 16 10.260 7.931 0.569 1.00 0.25 H new ATOM 0 HA TYR A 16 10.308 5.749 2.532 1.00 0.23 H new ATOM 0 HB2 TYR A 16 9.741 5.762 -0.456 1.00 0.27 H new ATOM 0 HB3 TYR A 16 9.491 4.416 0.639 1.00 0.27 H new ATOM 0 HD1 TYR A 16 8.427 6.311 2.939 1.00 0.40 H new ATOM 0 HD2 TYR A 16 7.385 5.794 -1.158 1.00 0.21 H new ATOM 0 HE1 TYR A 16 6.157 7.105 3.424 1.00 0.40 H new ATOM 0 HE2 TYR A 16 5.111 6.594 -0.679 1.00 0.27 H new ATOM 0 HH TYR A 16 3.693 7.334 0.846 1.00 0.35 H new ATOM 266 N TYR A 17 12.483 4.753 2.018 1.00 0.21 N ATOM 267 CA TYR A 17 13.814 4.213 1.796 1.00 0.21 C ATOM 268 C TYR A 17 13.790 2.688 1.678 1.00 0.22 C ATOM 269 O TYR A 17 13.316 1.990 2.577 1.00 0.26 O ATOM 270 CB TYR A 17 14.734 4.668 2.937 1.00 0.24 C ATOM 271 CG TYR A 17 15.722 3.627 3.424 1.00 0.23 C ATOM 272 CD1 TYR A 17 16.904 3.386 2.739 1.00 0.27 C ATOM 273 CD2 TYR A 17 15.471 2.893 4.576 1.00 0.34 C ATOM 274 CE1 TYR A 17 17.811 2.443 3.187 1.00 0.35 C ATOM 275 CE2 TYR A 17 16.371 1.948 5.032 1.00 0.42 C ATOM 276 CZ TYR A 17 17.537 1.726 4.333 1.00 0.41 C ATOM 277 OH TYR A 17 18.436 0.785 4.783 1.00 0.54 O ATOM 0 H TYR A 17 12.042 4.446 2.885 1.00 0.21 H new ATOM 0 HA TYR A 17 14.198 4.593 0.849 1.00 0.21 H new ATOM 0 HB2 TYR A 17 15.289 5.546 2.606 1.00 0.24 H new ATOM 0 HB3 TYR A 17 14.115 4.980 3.778 1.00 0.24 H new ATOM 0 HD1 TYR A 17 17.120 3.945 1.840 1.00 0.27 H new ATOM 0 HD2 TYR A 17 14.557 3.063 5.125 1.00 0.34 H new ATOM 0 HE1 TYR A 17 18.728 2.269 2.643 1.00 0.35 H new ATOM 0 HE2 TYR A 17 16.161 1.387 5.931 1.00 0.42 H new ATOM 0 HH TYR A 17 18.093 0.370 5.602 1.00 0.54 H new ATOM 287 N ASN A 18 14.329 2.185 0.569 1.00 0.22 N ATOM 288 CA ASN A 18 14.411 0.750 0.327 1.00 0.28 C ATOM 289 C ASN A 18 15.601 0.188 1.098 1.00 0.29 C ATOM 290 O ASN A 18 16.728 0.639 0.908 1.00 0.32 O ATOM 291 CB ASN A 18 14.573 0.475 -1.171 1.00 0.35 C ATOM 292 CG ASN A 18 14.487 -1.002 -1.504 1.00 0.56 C ATOM 293 OD1 ASN A 18 14.975 -1.850 -0.757 1.00 0.96 O ATOM 294 ND2 ASN A 18 13.868 -1.317 -2.635 1.00 0.50 N ATOM 0 H ASN A 18 14.718 2.757 -0.180 1.00 0.22 H new ATOM 0 HA ASN A 18 13.494 0.268 0.666 1.00 0.28 H new ATOM 0 HB2 ASN A 18 13.801 1.014 -1.721 1.00 0.35 H new ATOM 0 HB3 ASN A 18 15.534 0.864 -1.507 1.00 0.35 H new ATOM 0 HD21 ASN A 18 13.782 -2.294 -2.914 1.00 0.50 H new ATOM 0 HD22 ASN A 18 13.478 -0.582 -3.225 1.00 0.50 H new ATOM 301 N THR A 19 15.347 -0.767 1.987 1.00 0.39 N ATOM 302 CA THR A 19 16.413 -1.342 2.806 1.00 0.42 C ATOM 303 C THR A 19 17.093 -2.526 2.136 1.00 0.42 C ATOM 304 O THR A 19 18.295 -2.731 2.311 1.00 0.38 O ATOM 305 CB THR A 19 15.894 -1.782 4.190 1.00 0.58 C ATOM 306 OG1 THR A 19 15.570 -3.177 4.171 1.00 0.75 O ATOM 307 CG2 THR A 19 14.665 -0.979 4.595 1.00 0.50 C ATOM 0 H THR A 19 14.421 -1.158 2.159 1.00 0.39 H new ATOM 0 HA THR A 19 17.147 -0.546 2.929 1.00 0.42 H new ATOM 0 HB THR A 19 16.683 -1.599 4.920 1.00 0.58 H new ATOM 0 HG1 THR A 19 15.243 -3.449 5.054 1.00 0.75 H new ATOM 0 HG21 THR A 19 14.321 -1.310 5.575 1.00 0.50 H new ATOM 0 HG22 THR A 19 14.920 0.080 4.639 1.00 0.50 H new ATOM 0 HG23 THR A 19 13.873 -1.131 3.862 1.00 0.50 H new ATOM 315 N LEU A 20 16.341 -3.297 1.364 1.00 0.50 N ATOM 316 CA LEU A 20 16.914 -4.442 0.671 1.00 0.56 C ATOM 317 C LEU A 20 18.048 -3.968 -0.221 1.00 0.57 C ATOM 318 O LEU A 20 19.148 -4.520 -0.212 1.00 0.70 O ATOM 319 CB LEU A 20 15.860 -5.154 -0.183 1.00 0.69 C ATOM 320 CG LEU A 20 14.526 -5.475 0.502 1.00 0.80 C ATOM 321 CD1 LEU A 20 14.716 -5.900 1.951 1.00 1.26 C ATOM 322 CD2 LEU A 20 13.595 -4.284 0.420 1.00 0.98 C ATOM 0 H LEU A 20 15.344 -3.154 1.203 1.00 0.50 H new ATOM 0 HA LEU A 20 17.286 -5.147 1.415 1.00 0.56 H new ATOM 0 HB2 LEU A 20 15.655 -4.536 -1.057 1.00 0.69 H new ATOM 0 HB3 LEU A 20 16.290 -6.087 -0.547 1.00 0.69 H new ATOM 0 HG LEU A 20 14.080 -6.317 -0.028 1.00 0.80 H new ATOM 0 HD11 LEU A 20 13.745 -6.117 2.397 1.00 1.26 H new ATOM 0 HD12 LEU A 20 15.341 -6.792 1.990 1.00 1.26 H new ATOM 0 HD13 LEU A 20 15.198 -5.095 2.506 1.00 1.26 H new ATOM 0 HD21 LEU A 20 12.652 -4.525 0.910 1.00 0.98 H new ATOM 0 HD22 LEU A 20 14.054 -3.429 0.917 1.00 0.98 H new ATOM 0 HD23 LEU A 20 13.409 -4.039 -0.626 1.00 0.98 H new ATOM 334 N THR A 21 17.757 -2.926 -0.988 1.00 0.52 N ATOM 335 CA THR A 21 18.728 -2.337 -1.899 1.00 0.60 C ATOM 336 C THR A 21 19.443 -1.163 -1.237 1.00 0.52 C ATOM 337 O THR A 21 20.379 -0.594 -1.799 1.00 0.59 O ATOM 338 CB THR A 21 18.052 -1.854 -3.195 1.00 0.74 C ATOM 339 OG1 THR A 21 17.421 -0.588 -2.978 1.00 0.73 O ATOM 340 CG2 THR A 21 17.015 -2.863 -3.674 1.00 0.84 C ATOM 0 H THR A 21 16.846 -2.467 -0.996 1.00 0.52 H new ATOM 0 HA THR A 21 19.455 -3.111 -2.147 1.00 0.60 H new ATOM 0 HB THR A 21 18.821 -1.751 -3.961 1.00 0.74 H new ATOM 0 HG1 THR A 21 16.995 -0.288 -3.808 1.00 0.73 H new ATOM 0 HG21 THR A 21 16.551 -2.500 -4.591 1.00 0.84 H new ATOM 0 HG22 THR A 21 17.500 -3.820 -3.867 1.00 0.84 H new ATOM 0 HG23 THR A 21 16.251 -2.992 -2.907 1.00 0.84 H new ATOM 348 N LYS A 22 18.990 -0.811 -0.034 1.00 0.43 N ATOM 349 CA LYS A 22 19.576 0.289 0.727 1.00 0.43 C ATOM 350 C LYS A 22 19.503 1.605 -0.051 1.00 0.46 C ATOM 351 O LYS A 22 20.309 2.510 0.170 1.00 0.66 O ATOM 352 CB LYS A 22 21.029 -0.027 1.086 1.00 0.50 C ATOM 353 CG LYS A 22 21.173 -0.955 2.281 1.00 0.58 C ATOM 354 CD LYS A 22 22.326 -1.928 2.094 1.00 1.11 C ATOM 355 CE LYS A 22 22.156 -3.166 2.959 1.00 1.51 C ATOM 356 NZ LYS A 22 23.116 -3.186 4.097 1.00 2.45 N ATOM 0 H LYS A 22 18.213 -1.276 0.436 1.00 0.43 H new ATOM 0 HA LYS A 22 18.998 0.404 1.644 1.00 0.43 H new ATOM 0 HB2 LYS A 22 21.517 -0.481 0.223 1.00 0.50 H new ATOM 0 HB3 LYS A 22 21.554 0.905 1.295 1.00 0.50 H new ATOM 0 HG2 LYS A 22 21.335 -0.366 3.183 1.00 0.58 H new ATOM 0 HG3 LYS A 22 20.246 -1.510 2.426 1.00 0.58 H new ATOM 0 HD2 LYS A 22 22.390 -2.221 1.046 1.00 1.11 H new ATOM 0 HD3 LYS A 22 23.265 -1.434 2.345 1.00 1.11 H new ATOM 0 HE2 LYS A 22 21.137 -3.203 3.344 1.00 1.51 H new ATOM 0 HE3 LYS A 22 22.299 -4.058 2.348 1.00 1.51 H new ATOM 0 HZ1 LYS A 22 22.967 -4.046 4.662 1.00 2.45 H new ATOM 0 HZ2 LYS A 22 24.089 -3.177 3.730 1.00 2.45 H new ATOM 0 HZ3 LYS A 22 22.963 -2.349 4.695 1.00 2.45 H new ATOM 370 N LYS A 23 18.537 1.708 -0.961 1.00 0.42 N ATOM 371 CA LYS A 23 18.367 2.917 -1.766 1.00 0.47 C ATOM 372 C LYS A 23 17.335 3.848 -1.133 1.00 0.35 C ATOM 373 O LYS A 23 16.633 3.458 -0.206 1.00 0.30 O ATOM 374 CB LYS A 23 17.945 2.556 -3.192 1.00 0.61 C ATOM 375 CG LYS A 23 19.018 1.815 -3.973 1.00 0.96 C ATOM 376 CD LYS A 23 19.091 2.295 -5.414 1.00 1.25 C ATOM 377 CE LYS A 23 20.456 2.882 -5.735 1.00 1.69 C ATOM 378 NZ LYS A 23 21.272 1.964 -6.577 1.00 2.27 N ATOM 0 H LYS A 23 17.861 0.971 -1.160 1.00 0.42 H new ATOM 0 HA LYS A 23 19.325 3.436 -1.804 1.00 0.47 H new ATOM 0 HB2 LYS A 23 17.046 1.941 -3.152 1.00 0.61 H new ATOM 0 HB3 LYS A 23 17.683 3.469 -3.727 1.00 0.61 H new ATOM 0 HG2 LYS A 23 19.985 1.959 -3.491 1.00 0.96 H new ATOM 0 HG3 LYS A 23 18.809 0.745 -3.955 1.00 0.96 H new ATOM 0 HD2 LYS A 23 18.884 1.463 -6.087 1.00 1.25 H new ATOM 0 HD3 LYS A 23 18.320 3.046 -5.588 1.00 1.25 H new ATOM 0 HE2 LYS A 23 20.329 3.833 -6.253 1.00 1.69 H new ATOM 0 HE3 LYS A 23 20.988 3.092 -4.807 1.00 1.69 H new ATOM 0 HZ1 LYS A 23 22.195 2.401 -6.773 1.00 2.27 H new ATOM 0 HZ2 LYS A 23 21.415 1.066 -6.073 1.00 2.27 H new ATOM 0 HZ3 LYS A 23 20.777 1.783 -7.474 1.00 2.27 H new ATOM 392 N SER A 24 17.259 5.083 -1.624 1.00 0.36 N ATOM 393 CA SER A 24 16.319 6.057 -1.073 1.00 0.31 C ATOM 394 C SER A 24 15.406 6.654 -2.145 1.00 0.31 C ATOM 395 O SER A 24 15.755 6.705 -3.325 1.00 0.33 O ATOM 396 CB SER A 24 17.080 7.177 -0.364 1.00 0.42 C ATOM 397 OG SER A 24 17.927 6.656 0.647 1.00 1.22 O ATOM 0 H SER A 24 17.830 5.431 -2.394 1.00 0.36 H new ATOM 0 HA SER A 24 15.687 5.527 -0.360 1.00 0.31 H new ATOM 0 HB2 SER A 24 17.674 7.734 -1.089 1.00 0.42 H new ATOM 0 HB3 SER A 24 16.373 7.880 0.076 1.00 0.42 H new ATOM 0 HG SER A 24 18.404 7.391 1.085 1.00 1.22 H new ATOM 403 N THR A 25 14.238 7.119 -1.702 1.00 0.30 N ATOM 404 CA THR A 25 13.254 7.738 -2.590 1.00 0.30 C ATOM 405 C THR A 25 12.308 8.638 -1.799 1.00 0.31 C ATOM 406 O THR A 25 12.219 8.537 -0.573 1.00 0.30 O ATOM 407 CB THR A 25 12.436 6.685 -3.370 1.00 0.30 C ATOM 408 OG1 THR A 25 12.079 7.203 -4.657 1.00 0.35 O ATOM 409 CG2 THR A 25 11.174 6.286 -2.617 1.00 0.25 C ATOM 0 H THR A 25 13.949 7.078 -0.725 1.00 0.30 H new ATOM 0 HA THR A 25 13.809 8.338 -3.312 1.00 0.30 H new ATOM 0 HB THR A 25 13.059 5.798 -3.485 1.00 0.30 H new ATOM 0 HG1 THR A 25 11.562 6.531 -5.148 1.00 0.35 H new ATOM 0 HG21 THR A 25 10.624 5.544 -3.196 1.00 0.25 H new ATOM 0 HG22 THR A 25 11.446 5.863 -1.650 1.00 0.25 H new ATOM 0 HG23 THR A 25 10.547 7.165 -2.465 1.00 0.25 H new ATOM 417 N TRP A 26 11.596 9.512 -2.501 1.00 0.35 N ATOM 418 CA TRP A 26 10.657 10.420 -1.855 1.00 0.39 C ATOM 419 C TRP A 26 9.255 10.235 -2.420 1.00 0.43 C ATOM 420 O TRP A 26 8.266 10.602 -1.783 1.00 0.65 O ATOM 421 CB TRP A 26 11.106 11.870 -2.046 1.00 0.45 C ATOM 422 CG TRP A 26 12.476 12.142 -1.505 1.00 0.47 C ATOM 423 CD1 TRP A 26 13.665 11.742 -2.045 1.00 0.46 C ATOM 424 CD2 TRP A 26 12.801 12.875 -0.319 1.00 0.53 C ATOM 425 NE1 TRP A 26 14.708 12.179 -1.265 1.00 0.52 N ATOM 426 CE2 TRP A 26 14.202 12.877 -0.200 1.00 0.56 C ATOM 427 CE3 TRP A 26 12.039 13.529 0.653 1.00 0.59 C ATOM 428 CZ2 TRP A 26 14.858 13.509 0.854 1.00 0.64 C ATOM 429 CZ3 TRP A 26 12.692 14.154 1.699 1.00 0.67 C ATOM 430 CH2 TRP A 26 14.089 14.140 1.791 1.00 0.69 C ATOM 0 H TRP A 26 11.651 9.611 -3.515 1.00 0.35 H new ATOM 0 HA TRP A 26 10.637 10.190 -0.790 1.00 0.39 H new ATOM 0 HB2 TRP A 26 11.088 12.112 -3.109 1.00 0.45 H new ATOM 0 HB3 TRP A 26 10.392 12.532 -1.556 1.00 0.45 H new ATOM 0 HD1 TRP A 26 13.770 11.166 -2.953 1.00 0.46 H new ATOM 0 HE1 TRP A 26 15.697 12.011 -1.449 1.00 0.52 H new ATOM 0 HE3 TRP A 26 10.961 13.546 0.588 1.00 0.59 H new ATOM 0 HZ2 TRP A 26 15.935 13.501 0.928 1.00 0.64 H new ATOM 0 HZ3 TRP A 26 12.115 14.662 2.458 1.00 0.67 H new ATOM 0 HH2 TRP A 26 14.569 14.638 2.620 1.00 0.69 H new ATOM 441 N GLU A 27 9.177 9.670 -3.618 1.00 0.32 N ATOM 442 CA GLU A 27 7.894 9.440 -4.273 1.00 0.32 C ATOM 443 C GLU A 27 7.484 7.980 -4.151 1.00 0.27 C ATOM 444 O GLU A 27 8.271 7.078 -4.432 1.00 0.23 O ATOM 445 CB GLU A 27 7.967 9.846 -5.747 1.00 0.35 C ATOM 446 CG GLU A 27 8.119 11.344 -5.956 1.00 1.24 C ATOM 447 CD GLU A 27 7.599 11.803 -7.305 1.00 1.66 C ATOM 448 OE1 GLU A 27 6.720 11.116 -7.867 1.00 2.07 O ATOM 449 OE2 GLU A 27 8.071 12.847 -7.798 1.00 2.09 O ATOM 0 H GLU A 27 9.987 9.362 -4.157 1.00 0.32 H new ATOM 0 HA GLU A 27 7.142 10.054 -3.777 1.00 0.32 H new ATOM 0 HB2 GLU A 27 8.808 9.335 -6.215 1.00 0.35 H new ATOM 0 HB3 GLU A 27 7.064 9.506 -6.255 1.00 0.35 H new ATOM 0 HG2 GLU A 27 7.585 11.873 -5.166 1.00 1.24 H new ATOM 0 HG3 GLU A 27 9.171 11.614 -5.866 1.00 1.24 H new ATOM 456 N LYS A 28 6.248 7.755 -3.722 1.00 0.29 N ATOM 457 CA LYS A 28 5.725 6.407 -3.552 1.00 0.26 C ATOM 458 C LYS A 28 5.802 5.601 -4.845 1.00 0.23 C ATOM 459 O LYS A 28 5.090 5.886 -5.805 1.00 0.24 O ATOM 460 CB LYS A 28 4.277 6.468 -3.068 1.00 0.32 C ATOM 461 CG LYS A 28 3.821 5.208 -2.354 1.00 0.31 C ATOM 462 CD LYS A 28 2.352 5.286 -1.975 1.00 0.43 C ATOM 463 CE LYS A 28 2.144 5.028 -0.494 1.00 0.44 C ATOM 464 NZ LYS A 28 1.144 5.958 0.098 1.00 0.90 N ATOM 0 H LYS A 28 5.587 8.494 -3.485 1.00 0.29 H new ATOM 0 HA LYS A 28 6.343 5.904 -2.808 1.00 0.26 H new ATOM 0 HB2 LYS A 28 4.163 7.318 -2.395 1.00 0.32 H new ATOM 0 HB3 LYS A 28 3.624 6.648 -3.922 1.00 0.32 H new ATOM 0 HG2 LYS A 28 3.987 4.344 -2.997 1.00 0.31 H new ATOM 0 HG3 LYS A 28 4.422 5.058 -1.457 1.00 0.31 H new ATOM 0 HD2 LYS A 28 1.961 6.270 -2.232 1.00 0.43 H new ATOM 0 HD3 LYS A 28 1.786 4.557 -2.555 1.00 0.43 H new ATOM 0 HE2 LYS A 28 1.814 4.000 -0.348 1.00 0.44 H new ATOM 0 HE3 LYS A 28 3.094 5.135 0.030 1.00 0.44 H new ATOM 0 HZ1 LYS A 28 1.031 5.748 1.110 1.00 0.90 H new ATOM 0 HZ2 LYS A 28 1.470 6.939 -0.018 1.00 0.90 H new ATOM 0 HZ3 LYS A 28 0.230 5.838 -0.384 1.00 0.90 H new ATOM 478 N PRO A 29 6.660 4.565 -4.880 1.00 0.25 N ATOM 479 CA PRO A 29 6.803 3.700 -6.054 1.00 0.25 C ATOM 480 C PRO A 29 5.515 2.929 -6.301 1.00 0.25 C ATOM 481 O PRO A 29 4.860 2.518 -5.348 1.00 0.24 O ATOM 482 CB PRO A 29 7.928 2.732 -5.661 1.00 0.27 C ATOM 483 CG PRO A 29 8.604 3.367 -4.493 1.00 0.54 C ATOM 484 CD PRO A 29 7.537 4.139 -3.779 1.00 0.33 C ATOM 0 HA PRO A 29 7.018 4.257 -6.966 1.00 0.25 H new ATOM 0 HB2 PRO A 29 7.530 1.752 -5.400 1.00 0.27 H new ATOM 0 HB3 PRO A 29 8.625 2.583 -6.486 1.00 0.27 H new ATOM 0 HG2 PRO A 29 9.047 2.615 -3.840 1.00 0.54 H new ATOM 0 HG3 PRO A 29 9.412 4.023 -4.817 1.00 0.54 H new ATOM 0 HD2 PRO A 29 7.007 3.522 -3.054 1.00 0.33 H new ATOM 0 HD3 PRO A 29 7.947 4.990 -3.235 1.00 0.33 H new ATOM 492 N LYS A 30 5.110 2.787 -7.558 1.00 0.29 N ATOM 493 CA LYS A 30 3.856 2.115 -7.883 1.00 0.31 C ATOM 494 C LYS A 30 3.647 0.797 -7.134 1.00 0.27 C ATOM 495 O LYS A 30 2.525 0.503 -6.737 1.00 0.25 O ATOM 496 CB LYS A 30 3.758 1.890 -9.390 1.00 0.40 C ATOM 497 CG LYS A 30 4.592 0.731 -9.898 1.00 0.91 C ATOM 498 CD LYS A 30 3.755 -0.520 -10.095 1.00 1.38 C ATOM 499 CE LYS A 30 4.535 -1.776 -9.735 1.00 2.15 C ATOM 500 NZ LYS A 30 4.188 -2.920 -10.623 1.00 2.96 N ATOM 0 H LYS A 30 5.630 3.127 -8.367 1.00 0.29 H new ATOM 0 HA LYS A 30 3.058 2.779 -7.550 1.00 0.31 H new ATOM 0 HB2 LYS A 30 2.715 1.716 -9.653 1.00 0.40 H new ATOM 0 HB3 LYS A 30 4.069 2.800 -9.903 1.00 0.40 H new ATOM 0 HG2 LYS A 30 5.061 1.007 -10.842 1.00 0.91 H new ATOM 0 HG3 LYS A 30 5.395 0.524 -9.191 1.00 0.91 H new ATOM 0 HD2 LYS A 30 2.857 -0.459 -9.479 1.00 1.38 H new ATOM 0 HD3 LYS A 30 3.427 -0.579 -11.133 1.00 1.38 H new ATOM 0 HE2 LYS A 30 5.603 -1.572 -9.806 1.00 2.15 H new ATOM 0 HE3 LYS A 30 4.330 -2.046 -8.699 1.00 2.15 H new ATOM 0 HZ1 LYS A 30 4.741 -3.756 -10.345 1.00 2.96 H new ATOM 0 HZ2 LYS A 30 3.173 -3.131 -10.536 1.00 2.96 H new ATOM 0 HZ3 LYS A 30 4.407 -2.673 -11.609 1.00 2.96 H new ATOM 514 N GLU A 31 4.695 -0.004 -6.937 1.00 0.27 N ATOM 515 CA GLU A 31 4.545 -1.279 -6.226 1.00 0.27 C ATOM 516 C GLU A 31 4.090 -1.051 -4.786 1.00 0.23 C ATOM 517 O GLU A 31 3.523 -1.938 -4.146 1.00 0.26 O ATOM 518 CB GLU A 31 5.872 -2.041 -6.241 1.00 0.34 C ATOM 519 CG GLU A 31 5.870 -3.289 -5.377 1.00 1.06 C ATOM 520 CD GLU A 31 5.539 -4.543 -6.163 1.00 1.66 C ATOM 521 OE1 GLU A 31 4.351 -4.746 -6.486 1.00 2.45 O ATOM 522 OE2 GLU A 31 6.472 -5.321 -6.457 1.00 1.54 O ATOM 0 H GLU A 31 5.643 0.200 -7.253 1.00 0.27 H new ATOM 0 HA GLU A 31 3.783 -1.869 -6.735 1.00 0.27 H new ATOM 0 HB2 GLU A 31 6.108 -2.321 -7.268 1.00 0.34 H new ATOM 0 HB3 GLU A 31 6.666 -1.376 -5.901 1.00 0.34 H new ATOM 0 HG2 GLU A 31 6.848 -3.405 -4.911 1.00 1.06 H new ATOM 0 HG3 GLU A 31 5.145 -3.168 -4.572 1.00 1.06 H new ATOM 529 N LEU A 32 4.322 0.158 -4.305 1.00 0.22 N ATOM 530 CA LEU A 32 3.933 0.556 -2.959 1.00 0.24 C ATOM 531 C LEU A 32 2.499 1.086 -2.967 1.00 0.25 C ATOM 532 O LEU A 32 1.810 1.092 -1.948 1.00 0.39 O ATOM 533 CB LEU A 32 4.907 1.625 -2.444 1.00 0.36 C ATOM 534 CG LEU A 32 5.493 1.410 -1.040 1.00 0.49 C ATOM 535 CD1 LEU A 32 4.802 2.314 -0.036 1.00 0.37 C ATOM 536 CD2 LEU A 32 5.393 -0.047 -0.601 1.00 1.19 C ATOM 0 H LEU A 32 4.786 0.895 -4.836 1.00 0.22 H new ATOM 0 HA LEU A 32 3.974 -0.306 -2.294 1.00 0.24 H new ATOM 0 HB2 LEU A 32 5.734 1.699 -3.150 1.00 0.36 H new ATOM 0 HB3 LEU A 32 4.393 2.586 -2.454 1.00 0.36 H new ATOM 0 HG LEU A 32 6.551 1.668 -1.082 1.00 0.49 H new ATOM 0 HD11 LEU A 32 5.228 2.151 0.954 1.00 0.37 H new ATOM 0 HD12 LEU A 32 4.945 3.355 -0.325 1.00 0.37 H new ATOM 0 HD13 LEU A 32 3.736 2.087 -0.015 1.00 0.37 H new ATOM 0 HD21 LEU A 32 5.818 -0.156 0.397 1.00 1.19 H new ATOM 0 HD22 LEU A 32 4.346 -0.351 -0.585 1.00 1.19 H new ATOM 0 HD23 LEU A 32 5.943 -0.676 -1.301 1.00 1.19 H new ATOM 548 N ILE A 33 2.076 1.529 -4.146 1.00 0.26 N ATOM 549 CA ILE A 33 0.736 2.073 -4.346 1.00 0.28 C ATOM 550 C ILE A 33 -0.243 1.014 -4.851 1.00 0.27 C ATOM 551 O ILE A 33 -1.457 1.148 -4.692 1.00 0.32 O ATOM 552 CB ILE A 33 0.753 3.229 -5.364 1.00 0.30 C ATOM 553 CG1 ILE A 33 1.847 4.243 -5.029 1.00 0.30 C ATOM 554 CG2 ILE A 33 -0.603 3.914 -5.409 1.00 0.31 C ATOM 555 CD1 ILE A 33 2.338 5.007 -6.238 1.00 0.36 C ATOM 0 H ILE A 33 2.650 1.522 -4.989 1.00 0.26 H new ATOM 0 HA ILE A 33 0.407 2.433 -3.371 1.00 0.28 H new ATOM 0 HB ILE A 33 0.970 2.809 -6.346 1.00 0.30 H new ATOM 0 HG12 ILE A 33 1.466 4.949 -4.291 1.00 0.30 H new ATOM 0 HG13 ILE A 33 2.687 3.723 -4.569 1.00 0.30 H new ATOM 0 HG21 ILE A 33 -0.575 4.729 -6.133 1.00 0.31 H new ATOM 0 HG22 ILE A 33 -1.365 3.193 -5.703 1.00 0.31 H new ATOM 0 HG23 ILE A 33 -0.842 4.313 -4.423 1.00 0.31 H new ATOM 0 HD11 ILE A 33 3.113 5.710 -5.934 1.00 0.36 H new ATOM 0 HD12 ILE A 33 2.748 4.309 -6.968 1.00 0.36 H new ATOM 0 HD13 ILE A 33 1.508 5.553 -6.685 1.00 0.36 H new ATOM 567 N SER A 34 0.290 -0.016 -5.497 1.00 0.24 N ATOM 568 CA SER A 34 -0.528 -1.076 -6.072 1.00 0.25 C ATOM 569 C SER A 34 -0.865 -2.177 -5.085 1.00 0.25 C ATOM 570 O SER A 34 -1.752 -2.972 -5.349 1.00 0.26 O ATOM 571 CB SER A 34 0.132 -1.672 -7.306 1.00 0.25 C ATOM 572 OG SER A 34 1.509 -1.927 -7.084 1.00 0.26 O ATOM 0 H SER A 34 1.293 -0.140 -5.636 1.00 0.24 H new ATOM 0 HA SER A 34 -1.467 -0.602 -6.356 1.00 0.25 H new ATOM 0 HB2 SER A 34 -0.372 -2.599 -7.578 1.00 0.25 H new ATOM 0 HB3 SER A 34 0.018 -0.989 -8.147 1.00 0.25 H new ATOM 0 HG SER A 34 2.020 -1.101 -7.213 1.00 0.26 H new ATOM 578 N GLN A 35 -0.137 -2.257 -3.981 1.00 0.23 N ATOM 579 CA GLN A 35 -0.385 -3.301 -2.988 1.00 0.23 C ATOM 580 C GLN A 35 -1.605 -2.960 -2.131 1.00 0.23 C ATOM 581 O GLN A 35 -2.559 -3.735 -2.051 1.00 0.24 O ATOM 582 CB GLN A 35 0.846 -3.475 -2.094 1.00 0.23 C ATOM 583 CG GLN A 35 0.635 -4.441 -0.939 1.00 0.28 C ATOM 584 CD GLN A 35 1.410 -5.734 -1.110 1.00 0.36 C ATOM 585 OE1 GLN A 35 2.029 -6.230 -0.168 1.00 0.56 O ATOM 586 NE2 GLN A 35 1.383 -6.287 -2.317 1.00 0.65 N ATOM 0 H GLN A 35 0.624 -1.620 -3.748 1.00 0.23 H new ATOM 0 HA GLN A 35 -0.584 -4.234 -3.515 1.00 0.23 H new ATOM 0 HB2 GLN A 35 1.678 -3.828 -2.703 1.00 0.23 H new ATOM 0 HB3 GLN A 35 1.133 -2.503 -1.694 1.00 0.23 H new ATOM 0 HG2 GLN A 35 0.938 -3.961 -0.009 1.00 0.28 H new ATOM 0 HG3 GLN A 35 -0.427 -4.668 -0.849 1.00 0.28 H new ATOM 0 HE21 GLN A 35 0.857 -5.843 -3.070 1.00 0.65 H new ATOM 0 HE22 GLN A 35 1.888 -7.156 -2.491 1.00 0.65 H new ATOM 595 N GLU A 36 -1.550 -1.802 -1.485 1.00 0.23 N ATOM 596 CA GLU A 36 -2.637 -1.349 -0.619 1.00 0.24 C ATOM 597 C GLU A 36 -3.970 -1.399 -1.351 1.00 0.23 C ATOM 598 O GLU A 36 -5.012 -1.673 -0.753 1.00 0.24 O ATOM 599 CB GLU A 36 -2.363 0.070 -0.118 1.00 0.26 C ATOM 600 CG GLU A 36 -1.638 0.117 1.217 1.00 1.04 C ATOM 601 CD GLU A 36 -0.193 -0.327 1.112 1.00 1.71 C ATOM 602 OE1 GLU A 36 0.397 -0.173 0.021 1.00 2.12 O ATOM 603 OE2 GLU A 36 0.350 -0.830 2.118 1.00 2.41 O ATOM 0 H GLU A 36 -0.763 -1.156 -1.543 1.00 0.23 H new ATOM 0 HA GLU A 36 -2.691 -2.021 0.238 1.00 0.24 H new ATOM 0 HB2 GLU A 36 -1.770 0.600 -0.863 1.00 0.26 H new ATOM 0 HB3 GLU A 36 -3.310 0.603 -0.026 1.00 0.26 H new ATOM 0 HG2 GLU A 36 -1.674 1.133 1.610 1.00 1.04 H new ATOM 0 HG3 GLU A 36 -2.159 -0.520 1.932 1.00 1.04 H new ATOM 610 N GLU A 37 -3.927 -1.140 -2.649 1.00 0.23 N ATOM 611 CA GLU A 37 -5.120 -1.161 -3.481 1.00 0.25 C ATOM 612 C GLU A 37 -5.660 -2.582 -3.617 1.00 0.24 C ATOM 613 O GLU A 37 -6.867 -2.803 -3.743 1.00 0.26 O ATOM 614 CB GLU A 37 -4.782 -0.599 -4.866 1.00 0.26 C ATOM 615 CG GLU A 37 -5.499 0.692 -5.196 1.00 0.31 C ATOM 616 CD GLU A 37 -6.913 0.467 -5.696 1.00 0.33 C ATOM 617 OE1 GLU A 37 -7.084 0.243 -6.913 1.00 0.99 O ATOM 618 OE2 GLU A 37 -7.849 0.515 -4.871 1.00 0.80 O ATOM 0 H GLU A 37 -3.070 -0.911 -3.153 1.00 0.23 H new ATOM 0 HA GLU A 37 -5.888 -0.547 -3.011 1.00 0.25 H new ATOM 0 HB2 GLU A 37 -3.707 -0.432 -4.927 1.00 0.26 H new ATOM 0 HB3 GLU A 37 -5.032 -1.345 -5.621 1.00 0.26 H new ATOM 0 HG2 GLU A 37 -5.529 1.323 -4.308 1.00 0.31 H new ATOM 0 HG3 GLU A 37 -4.932 1.234 -5.953 1.00 0.31 H new ATOM 625 N LEU A 38 -4.739 -3.536 -3.627 1.00 0.24 N ATOM 626 CA LEU A 38 -5.059 -4.942 -3.791 1.00 0.26 C ATOM 627 C LEU A 38 -5.607 -5.540 -2.512 1.00 0.27 C ATOM 628 O LEU A 38 -6.293 -6.558 -2.546 1.00 0.30 O ATOM 629 CB LEU A 38 -3.803 -5.700 -4.229 1.00 0.26 C ATOM 630 CG LEU A 38 -4.006 -6.756 -5.316 1.00 0.32 C ATOM 631 CD1 LEU A 38 -5.013 -7.807 -4.873 1.00 0.60 C ATOM 632 CD2 LEU A 38 -4.451 -6.103 -6.617 1.00 0.69 C ATOM 0 H LEU A 38 -3.742 -3.351 -3.520 1.00 0.24 H new ATOM 0 HA LEU A 38 -5.831 -5.032 -4.555 1.00 0.26 H new ATOM 0 HB2 LEU A 38 -3.071 -4.976 -4.585 1.00 0.26 H new ATOM 0 HB3 LEU A 38 -3.371 -6.186 -3.354 1.00 0.26 H new ATOM 0 HG LEU A 38 -3.052 -7.254 -5.487 1.00 0.32 H new ATOM 0 HD11 LEU A 38 -5.139 -8.546 -5.664 1.00 0.60 H new ATOM 0 HD12 LEU A 38 -4.652 -8.300 -3.970 1.00 0.60 H new ATOM 0 HD13 LEU A 38 -5.971 -7.329 -4.667 1.00 0.60 H new ATOM 0 HD21 LEU A 38 -4.591 -6.869 -7.380 1.00 0.69 H new ATOM 0 HD22 LEU A 38 -5.391 -5.575 -6.456 1.00 0.69 H new ATOM 0 HD23 LEU A 38 -3.690 -5.396 -6.948 1.00 0.69 H new ATOM 644 N LEU A 39 -5.321 -4.904 -1.388 1.00 0.25 N ATOM 645 CA LEU A 39 -5.830 -5.393 -0.121 1.00 0.26 C ATOM 646 C LEU A 39 -7.190 -4.788 0.106 1.00 0.26 C ATOM 647 O LEU A 39 -8.096 -5.422 0.646 1.00 0.27 O ATOM 648 CB LEU A 39 -4.887 -5.034 1.025 1.00 0.27 C ATOM 649 CG LEU A 39 -3.401 -5.205 0.725 1.00 0.33 C ATOM 650 CD1 LEU A 39 -2.587 -4.256 1.584 1.00 0.34 C ATOM 651 CD2 LEU A 39 -2.968 -6.645 0.955 1.00 0.40 C ATOM 0 H LEU A 39 -4.749 -4.062 -1.328 1.00 0.25 H new ATOM 0 HA LEU A 39 -5.903 -6.480 -0.152 1.00 0.26 H new ATOM 0 HB2 LEU A 39 -5.066 -3.997 1.310 1.00 0.27 H new ATOM 0 HB3 LEU A 39 -5.140 -5.650 1.888 1.00 0.27 H new ATOM 0 HG LEU A 39 -3.226 -4.965 -0.324 1.00 0.33 H new ATOM 0 HD11 LEU A 39 -1.527 -4.384 1.364 1.00 0.34 H new ATOM 0 HD12 LEU A 39 -2.880 -3.228 1.369 1.00 0.34 H new ATOM 0 HD13 LEU A 39 -2.768 -4.472 2.637 1.00 0.34 H new ATOM 0 HD21 LEU A 39 -1.905 -6.745 0.735 1.00 0.40 H new ATOM 0 HD22 LEU A 39 -3.151 -6.918 1.994 1.00 0.40 H new ATOM 0 HD23 LEU A 39 -3.537 -7.305 0.301 1.00 0.40 H new ATOM 663 N LEU A 40 -7.312 -3.560 -0.349 1.00 0.24 N ATOM 664 CA LEU A 40 -8.546 -2.828 -0.254 1.00 0.25 C ATOM 665 C LEU A 40 -9.666 -3.664 -0.861 1.00 0.27 C ATOM 666 O LEU A 40 -10.671 -3.947 -0.213 1.00 0.29 O ATOM 667 CB LEU A 40 -8.383 -1.504 -0.997 1.00 0.25 C ATOM 668 CG LEU A 40 -8.578 -0.229 -0.165 1.00 0.27 C ATOM 669 CD1 LEU A 40 -8.051 -0.406 1.255 1.00 0.28 C ATOM 670 CD2 LEU A 40 -7.888 0.947 -0.839 1.00 0.29 C ATOM 0 H LEU A 40 -6.554 -3.044 -0.795 1.00 0.24 H new ATOM 0 HA LEU A 40 -8.797 -2.620 0.786 1.00 0.25 H new ATOM 0 HB2 LEU A 40 -7.385 -1.478 -1.434 1.00 0.25 H new ATOM 0 HB3 LEU A 40 -9.094 -1.486 -1.823 1.00 0.25 H new ATOM 0 HG LEU A 40 -9.648 -0.029 -0.103 1.00 0.27 H new ATOM 0 HD11 LEU A 40 -8.204 0.515 1.817 1.00 0.28 H new ATOM 0 HD12 LEU A 40 -8.585 -1.222 1.742 1.00 0.28 H new ATOM 0 HD13 LEU A 40 -6.986 -0.638 1.222 1.00 0.28 H new ATOM 0 HD21 LEU A 40 -8.033 1.846 -0.240 1.00 0.29 H new ATOM 0 HD22 LEU A 40 -6.822 0.740 -0.930 1.00 0.29 H new ATOM 0 HD23 LEU A 40 -8.314 1.099 -1.831 1.00 0.29 H new ATOM 682 N ARG A 41 -9.475 -4.044 -2.120 1.00 0.28 N ATOM 683 CA ARG A 41 -10.434 -4.830 -2.868 1.00 0.33 C ATOM 684 C ARG A 41 -10.869 -6.099 -2.133 1.00 0.35 C ATOM 685 O ARG A 41 -12.061 -6.377 -2.006 1.00 0.36 O ATOM 686 CB ARG A 41 -9.784 -5.199 -4.192 1.00 0.34 C ATOM 687 CG ARG A 41 -10.706 -5.079 -5.373 1.00 0.78 C ATOM 688 CD ARG A 41 -10.652 -3.688 -5.982 1.00 1.44 C ATOM 689 NE ARG A 41 -11.142 -3.672 -7.359 1.00 2.09 N ATOM 690 CZ ARG A 41 -10.372 -3.428 -8.415 1.00 2.87 C ATOM 691 NH1 ARG A 41 -9.076 -3.193 -8.255 1.00 3.32 N ATOM 692 NH2 ARG A 41 -10.896 -3.422 -9.632 1.00 3.63 N ATOM 0 H ARG A 41 -8.637 -3.809 -2.651 1.00 0.28 H new ATOM 0 HA ARG A 41 -11.337 -4.236 -3.010 1.00 0.33 H new ATOM 0 HB2 ARG A 41 -8.918 -4.557 -4.352 1.00 0.34 H new ATOM 0 HB3 ARG A 41 -9.416 -6.223 -4.133 1.00 0.34 H new ATOM 0 HG2 ARG A 41 -10.432 -5.818 -6.126 1.00 0.78 H new ATOM 0 HG3 ARG A 41 -11.727 -5.302 -5.063 1.00 0.78 H new ATOM 0 HD2 ARG A 41 -11.248 -3.005 -5.377 1.00 1.44 H new ATOM 0 HD3 ARG A 41 -9.626 -3.322 -5.958 1.00 1.44 H new ATOM 0 HE ARG A 41 -12.132 -3.859 -7.519 1.00 2.09 H new ATOM 0 HH11 ARG A 41 -8.668 -3.199 -7.320 1.00 3.32 H new ATOM 0 HH12 ARG A 41 -8.488 -3.006 -9.067 1.00 3.32 H new ATOM 0 HH21 ARG A 41 -11.891 -3.605 -9.760 1.00 3.63 H new ATOM 0 HH22 ARG A 41 -10.304 -3.235 -10.441 1.00 3.63 H new ATOM 706 N GLU A 42 -9.889 -6.872 -1.687 1.00 0.38 N ATOM 707 CA GLU A 42 -10.133 -8.136 -0.993 1.00 0.41 C ATOM 708 C GLU A 42 -11.212 -8.017 0.081 1.00 0.37 C ATOM 709 O GLU A 42 -11.839 -9.011 0.445 1.00 0.43 O ATOM 710 CB GLU A 42 -8.837 -8.647 -0.363 1.00 0.45 C ATOM 711 CG GLU A 42 -8.435 -10.034 -0.835 1.00 0.60 C ATOM 712 CD GLU A 42 -8.538 -11.076 0.261 1.00 0.73 C ATOM 713 OE1 GLU A 42 -7.839 -10.933 1.285 1.00 1.14 O ATOM 714 OE2 GLU A 42 -9.319 -12.038 0.094 1.00 0.85 O ATOM 0 H GLU A 42 -8.901 -6.644 -1.794 1.00 0.38 H new ATOM 0 HA GLU A 42 -10.492 -8.844 -1.740 1.00 0.41 H new ATOM 0 HB2 GLU A 42 -8.032 -7.948 -0.591 1.00 0.45 H new ATOM 0 HB3 GLU A 42 -8.951 -8.660 0.721 1.00 0.45 H new ATOM 0 HG2 GLU A 42 -9.070 -10.327 -1.671 1.00 0.60 H new ATOM 0 HG3 GLU A 42 -7.411 -10.004 -1.208 1.00 0.60 H new ATOM 721 N ASN A 43 -11.425 -6.810 0.594 1.00 0.35 N ATOM 722 CA ASN A 43 -12.431 -6.604 1.629 1.00 0.34 C ATOM 723 C ASN A 43 -13.515 -5.622 1.178 1.00 0.35 C ATOM 724 O ASN A 43 -14.614 -5.609 1.733 1.00 0.37 O ATOM 725 CB ASN A 43 -11.774 -6.128 2.925 1.00 0.30 C ATOM 726 CG ASN A 43 -10.316 -6.545 3.023 1.00 0.30 C ATOM 727 OD1 ASN A 43 -9.408 -5.593 2.825 1.00 0.39 O flip ATOM 728 ND2 ASN A 43 -10.009 -7.711 3.274 1.00 0.28 N flip ATOM 0 H ASN A 43 -10.921 -5.969 0.314 1.00 0.35 H new ATOM 0 HA ASN A 43 -12.917 -7.562 1.814 1.00 0.34 H new ATOM 0 HB2 ASN A 43 -11.843 -5.042 2.987 1.00 0.30 H new ATOM 0 HB3 ASN A 43 -12.322 -6.531 3.776 1.00 0.30 H new ATOM 0 HD21 ASN A 43 -10.737 -8.410 3.419 1.00 0.28 H new ATOM 0 HD22 ASN A 43 -9.026 -7.977 3.337 1.00 0.28 H new ATOM 735 N GLY A 44 -13.216 -4.817 0.156 1.00 0.35 N ATOM 736 CA GLY A 44 -14.204 -3.874 -0.348 1.00 0.39 C ATOM 737 C GLY A 44 -13.995 -2.442 0.123 1.00 0.37 C ATOM 738 O GLY A 44 -14.964 -1.716 0.339 1.00 0.40 O ATOM 0 H GLY A 44 -12.318 -4.801 -0.327 1.00 0.35 H new ATOM 0 HA2 GLY A 44 -14.185 -3.893 -1.438 1.00 0.39 H new ATOM 0 HA3 GLY A 44 -15.196 -4.205 -0.040 1.00 0.39 H new ATOM 742 N TRP A 45 -12.742 -2.022 0.272 1.00 0.34 N ATOM 743 CA TRP A 45 -12.449 -0.656 0.713 1.00 0.36 C ATOM 744 C TRP A 45 -11.923 0.198 -0.436 1.00 0.39 C ATOM 745 O TRP A 45 -11.374 -0.317 -1.410 1.00 0.43 O ATOM 746 CB TRP A 45 -11.407 -0.653 1.834 1.00 0.34 C ATOM 747 CG TRP A 45 -11.799 -1.447 3.036 1.00 0.32 C ATOM 748 CD1 TRP A 45 -11.596 -2.778 3.234 1.00 0.55 C ATOM 749 CD2 TRP A 45 -12.445 -0.959 4.216 1.00 0.27 C ATOM 750 NE1 TRP A 45 -12.088 -3.155 4.459 1.00 0.59 N ATOM 751 CE2 TRP A 45 -12.615 -2.054 5.082 1.00 0.44 C ATOM 752 CE3 TRP A 45 -12.900 0.299 4.616 1.00 0.34 C ATOM 753 CZ2 TRP A 45 -13.219 -1.928 6.330 1.00 0.54 C ATOM 754 CZ3 TRP A 45 -13.502 0.423 5.855 1.00 0.51 C ATOM 755 CH2 TRP A 45 -13.656 -0.684 6.699 1.00 0.56 C ATOM 0 H TRP A 45 -11.919 -2.599 0.097 1.00 0.34 H new ATOM 0 HA TRP A 45 -13.386 -0.236 1.078 1.00 0.36 H new ATOM 0 HB2 TRP A 45 -10.468 -1.046 1.443 1.00 0.34 H new ATOM 0 HB3 TRP A 45 -11.220 0.377 2.138 1.00 0.34 H new ATOM 0 HD1 TRP A 45 -11.117 -3.442 2.529 1.00 0.55 H new ATOM 0 HE1 TRP A 45 -12.065 -4.100 4.843 1.00 0.59 H new ATOM 0 HE3 TRP A 45 -12.784 1.158 3.971 1.00 0.34 H new ATOM 0 HZ2 TRP A 45 -13.338 -2.780 6.983 1.00 0.54 H new ATOM 0 HZ3 TRP A 45 -13.859 1.390 6.177 1.00 0.51 H new ATOM 0 HH2 TRP A 45 -14.129 -0.554 7.661 1.00 0.56 H new ATOM 766 N LYS A 46 -12.062 1.513 -0.289 1.00 0.41 N ATOM 767 CA LYS A 46 -11.563 2.452 -1.288 1.00 0.50 C ATOM 768 C LYS A 46 -11.055 3.713 -0.611 1.00 0.51 C ATOM 769 O LYS A 46 -11.284 3.926 0.581 1.00 0.47 O ATOM 770 CB LYS A 46 -12.625 2.799 -2.329 1.00 0.59 C ATOM 771 CG LYS A 46 -13.722 3.708 -1.825 1.00 1.22 C ATOM 772 CD LYS A 46 -14.166 4.686 -2.902 1.00 1.73 C ATOM 773 CE LYS A 46 -13.402 5.998 -2.816 1.00 2.80 C ATOM 774 NZ LYS A 46 -13.961 7.028 -3.735 1.00 3.65 N ATOM 0 H LYS A 46 -12.516 1.952 0.512 1.00 0.41 H new ATOM 0 HA LYS A 46 -10.740 1.967 -1.813 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -12.139 3.275 -3.181 1.00 0.59 H new ATOM 0 HB3 LYS A 46 -13.074 1.875 -2.693 1.00 0.59 H new ATOM 0 HG2 LYS A 46 -14.573 3.109 -1.501 1.00 1.22 H new ATOM 0 HG3 LYS A 46 -13.369 4.259 -0.953 1.00 1.22 H new ATOM 0 HD2 LYS A 46 -14.014 4.240 -3.885 1.00 1.73 H new ATOM 0 HD3 LYS A 46 -15.234 4.879 -2.801 1.00 1.73 H new ATOM 0 HE2 LYS A 46 -13.434 6.370 -1.792 1.00 2.80 H new ATOM 0 HE3 LYS A 46 -12.354 5.824 -3.060 1.00 2.80 H new ATOM 0 HZ1 LYS A 46 -13.187 7.606 -4.121 1.00 3.65 H new ATOM 0 HZ2 LYS A 46 -14.466 6.560 -4.515 1.00 3.65 H new ATOM 0 HZ3 LYS A 46 -14.621 7.638 -3.212 1.00 3.65 H new ATOM 788 N ALA A 47 -10.346 4.530 -1.369 1.00 0.58 N ATOM 789 CA ALA A 47 -9.778 5.759 -0.826 1.00 0.63 C ATOM 790 C ALA A 47 -10.372 7.010 -1.459 1.00 0.70 C ATOM 791 O ALA A 47 -10.432 7.140 -2.682 1.00 0.75 O ATOM 792 CB ALA A 47 -8.267 5.757 -0.990 1.00 0.71 C ATOM 0 H ALA A 47 -10.148 4.370 -2.357 1.00 0.58 H new ATOM 0 HA ALA A 47 -10.032 5.785 0.234 1.00 0.63 H new ATOM 0 HB1 ALA A 47 -7.855 6.680 -0.581 1.00 0.71 H new ATOM 0 HB2 ALA A 47 -7.844 4.904 -0.459 1.00 0.71 H new ATOM 0 HB3 ALA A 47 -8.016 5.686 -2.048 1.00 0.71 H new ATOM 798 N ALA A 48 -10.794 7.934 -0.603 1.00 0.74 N ATOM 799 CA ALA A 48 -11.371 9.196 -1.037 1.00 0.84 C ATOM 800 C ALA A 48 -10.961 10.303 -0.075 1.00 0.94 C ATOM 801 O ALA A 48 -10.303 10.040 0.930 1.00 0.92 O ATOM 802 CB ALA A 48 -12.887 9.090 -1.121 1.00 0.79 C ATOM 0 H ALA A 48 -10.745 7.827 0.410 1.00 0.74 H new ATOM 0 HA ALA A 48 -10.996 9.436 -2.032 1.00 0.84 H new ATOM 0 HB1 ALA A 48 -13.301 10.044 -1.447 1.00 0.79 H new ATOM 0 HB2 ALA A 48 -13.158 8.313 -1.836 1.00 0.79 H new ATOM 0 HB3 ALA A 48 -13.289 8.837 -0.140 1.00 0.79 H new ATOM 808 N LYS A 49 -11.350 11.535 -0.371 1.00 1.06 N ATOM 809 CA LYS A 49 -11.012 12.656 0.496 1.00 1.18 C ATOM 810 C LYS A 49 -12.241 13.499 0.797 1.00 1.27 C ATOM 811 O LYS A 49 -13.209 13.503 0.035 1.00 1.27 O ATOM 812 CB LYS A 49 -9.922 13.523 -0.137 1.00 1.31 C ATOM 813 CG LYS A 49 -8.894 14.034 0.857 1.00 1.36 C ATOM 814 CD LYS A 49 -7.532 14.228 0.207 1.00 1.44 C ATOM 815 CE LYS A 49 -6.956 12.915 -0.300 1.00 1.33 C ATOM 816 NZ LYS A 49 -6.986 12.833 -1.787 1.00 1.82 N ATOM 0 H LYS A 49 -11.895 11.783 -1.197 1.00 1.06 H new ATOM 0 HA LYS A 49 -10.633 12.249 1.434 1.00 1.18 H new ATOM 0 HB2 LYS A 49 -9.413 12.945 -0.908 1.00 1.31 H new ATOM 0 HB3 LYS A 49 -10.389 14.374 -0.633 1.00 1.31 H new ATOM 0 HG2 LYS A 49 -9.234 14.980 1.279 1.00 1.36 H new ATOM 0 HG3 LYS A 49 -8.806 13.330 1.684 1.00 1.36 H new ATOM 0 HD2 LYS A 49 -7.622 14.930 -0.622 1.00 1.44 H new ATOM 0 HD3 LYS A 49 -6.845 14.672 0.928 1.00 1.44 H new ATOM 0 HE2 LYS A 49 -5.929 12.811 0.049 1.00 1.33 H new ATOM 0 HE3 LYS A 49 -7.522 12.084 0.121 1.00 1.33 H new ATOM 0 HZ1 LYS A 49 -7.187 11.855 -2.077 1.00 1.82 H new ATOM 0 HZ2 LYS A 49 -7.728 13.462 -2.154 1.00 1.82 H new ATOM 0 HZ3 LYS A 49 -6.064 13.125 -2.169 1.00 1.82 H new ATOM 830 N THR A 50 -12.195 14.207 1.917 1.00 1.36 N ATOM 831 CA THR A 50 -13.298 15.054 2.340 1.00 1.47 C ATOM 832 C THR A 50 -13.182 16.447 1.735 1.00 1.62 C ATOM 833 O THR A 50 -12.224 16.746 1.023 1.00 1.64 O ATOM 834 CB THR A 50 -13.330 15.189 3.871 1.00 1.47 C ATOM 835 OG1 THR A 50 -12.247 16.015 4.306 1.00 1.51 O ATOM 836 CG2 THR A 50 -13.244 13.824 4.539 1.00 1.34 C ATOM 0 H THR A 50 -11.398 14.210 2.553 1.00 1.36 H new ATOM 0 HA THR A 50 -14.216 14.581 1.993 1.00 1.47 H new ATOM 0 HB THR A 50 -14.275 15.650 4.157 1.00 1.47 H new ATOM 0 HG1 THR A 50 -12.593 16.738 4.870 1.00 1.51 H new ATOM 0 HG21 THR A 50 -13.269 13.947 5.622 1.00 1.34 H new ATOM 0 HG22 THR A 50 -14.088 13.211 4.224 1.00 1.34 H new ATOM 0 HG23 THR A 50 -12.313 13.336 4.250 1.00 1.34 H new ATOM 844 N ALA A 51 -14.152 17.301 2.041 1.00 1.74 N ATOM 845 CA ALA A 51 -14.142 18.669 1.543 1.00 1.90 C ATOM 846 C ALA A 51 -13.067 19.477 2.256 1.00 2.01 C ATOM 847 O ALA A 51 -12.810 20.632 1.916 1.00 2.29 O ATOM 848 CB ALA A 51 -15.508 19.314 1.731 1.00 1.99 C ATOM 0 H ALA A 51 -14.952 17.070 2.630 1.00 1.74 H new ATOM 0 HA ALA A 51 -13.916 18.652 0.477 1.00 1.90 H new ATOM 0 HB1 ALA A 51 -15.483 20.336 1.353 1.00 1.99 H new ATOM 0 HB2 ALA A 51 -16.258 18.743 1.184 1.00 1.99 H new ATOM 0 HB3 ALA A 51 -15.762 19.325 2.791 1.00 1.99 H new ATOM 854 N ASP A 52 -12.438 18.851 3.249 1.00 1.82 N ATOM 855 CA ASP A 52 -11.382 19.495 4.017 1.00 1.90 C ATOM 856 C ASP A 52 -10.040 18.818 3.775 1.00 1.81 C ATOM 857 O ASP A 52 -9.134 18.902 4.605 1.00 1.82 O ATOM 858 CB ASP A 52 -11.718 19.476 5.509 1.00 1.92 C ATOM 859 CG ASP A 52 -11.421 20.800 6.187 1.00 2.03 C ATOM 860 OD1 ASP A 52 -12.267 21.713 6.098 1.00 1.97 O ATOM 861 OD2 ASP A 52 -10.344 20.921 6.804 1.00 2.45 O ATOM 0 H ASP A 52 -12.645 17.895 3.539 1.00 1.82 H new ATOM 0 HA ASP A 52 -11.309 20.530 3.684 1.00 1.90 H new ATOM 0 HB2 ASP A 52 -12.773 19.234 5.638 1.00 1.92 H new ATOM 0 HB3 ASP A 52 -11.148 18.685 5.997 1.00 1.92 H new ATOM 866 N GLY A 53 -9.916 18.148 2.634 1.00 1.73 N ATOM 867 CA GLY A 53 -8.679 17.469 2.307 1.00 1.66 C ATOM 868 C GLY A 53 -8.380 16.333 3.260 1.00 1.53 C ATOM 869 O GLY A 53 -7.241 15.878 3.354 1.00 1.55 O ATOM 0 H GLY A 53 -10.650 18.064 1.931 1.00 1.73 H new ATOM 0 HA2 GLY A 53 -8.737 17.082 1.290 1.00 1.66 H new ATOM 0 HA3 GLY A 53 -7.857 18.185 2.329 1.00 1.66 H new ATOM 873 N LYS A 54 -9.410 15.857 3.954 1.00 1.43 N ATOM 874 CA LYS A 54 -9.234 14.746 4.880 1.00 1.32 C ATOM 875 C LYS A 54 -9.241 13.432 4.115 1.00 1.19 C ATOM 876 O LYS A 54 -10.237 13.071 3.490 1.00 1.20 O ATOM 877 CB LYS A 54 -10.313 14.731 5.964 1.00 1.33 C ATOM 878 CG LYS A 54 -10.150 15.836 6.992 1.00 1.57 C ATOM 879 CD LYS A 54 -11.482 16.487 7.331 1.00 1.57 C ATOM 880 CE LYS A 54 -11.337 17.500 8.454 1.00 1.53 C ATOM 881 NZ LYS A 54 -12.090 17.093 9.674 1.00 1.92 N ATOM 0 H LYS A 54 -10.362 16.218 3.894 1.00 1.43 H new ATOM 0 HA LYS A 54 -8.273 14.875 5.377 1.00 1.32 H new ATOM 0 HB2 LYS A 54 -11.292 14.824 5.493 1.00 1.33 H new ATOM 0 HB3 LYS A 54 -10.294 13.767 6.472 1.00 1.33 H new ATOM 0 HG2 LYS A 54 -9.703 15.427 7.898 1.00 1.57 H new ATOM 0 HG3 LYS A 54 -9.462 16.591 6.610 1.00 1.57 H new ATOM 0 HD2 LYS A 54 -11.883 16.979 6.445 1.00 1.57 H new ATOM 0 HD3 LYS A 54 -12.199 15.720 7.622 1.00 1.57 H new ATOM 0 HE2 LYS A 54 -10.282 17.618 8.702 1.00 1.53 H new ATOM 0 HE3 LYS A 54 -11.695 18.472 8.114 1.00 1.53 H new ATOM 0 HZ1 LYS A 54 -11.964 17.811 10.415 1.00 1.92 H new ATOM 0 HZ2 LYS A 54 -13.101 17.005 9.445 1.00 1.92 H new ATOM 0 HZ3 LYS A 54 -11.731 16.178 10.014 1.00 1.92 H new ATOM 895 N VAL A 55 -8.131 12.712 4.176 1.00 1.09 N ATOM 896 CA VAL A 55 -8.026 11.433 3.490 1.00 0.99 C ATOM 897 C VAL A 55 -8.676 10.342 4.328 1.00 0.88 C ATOM 898 O VAL A 55 -8.360 10.189 5.509 1.00 0.90 O ATOM 899 CB VAL A 55 -6.562 11.048 3.206 1.00 0.98 C ATOM 900 CG1 VAL A 55 -6.489 10.030 2.076 1.00 0.93 C ATOM 901 CG2 VAL A 55 -5.737 12.282 2.874 1.00 1.14 C ATOM 0 H VAL A 55 -7.295 12.989 4.690 1.00 1.09 H new ATOM 0 HA VAL A 55 -8.541 11.533 2.534 1.00 0.99 H new ATOM 0 HB VAL A 55 -6.145 10.593 4.105 1.00 0.98 H new ATOM 0 HG11 VAL A 55 -5.448 9.769 1.888 1.00 0.93 H new ATOM 0 HG12 VAL A 55 -7.043 9.134 2.357 1.00 0.93 H new ATOM 0 HG13 VAL A 55 -6.924 10.457 1.173 1.00 0.93 H new ATOM 0 HG21 VAL A 55 -4.706 11.988 2.677 1.00 1.14 H new ATOM 0 HG22 VAL A 55 -6.151 12.770 1.991 1.00 1.14 H new ATOM 0 HG23 VAL A 55 -5.762 12.974 3.716 1.00 1.14 H new ATOM 911 N TYR A 56 -9.592 9.598 3.725 1.00 0.80 N ATOM 912 CA TYR A 56 -10.285 8.539 4.443 1.00 0.74 C ATOM 913 C TYR A 56 -10.624 7.369 3.529 1.00 0.63 C ATOM 914 O TYR A 56 -10.655 7.501 2.306 1.00 0.62 O ATOM 915 CB TYR A 56 -11.567 9.089 5.075 1.00 0.85 C ATOM 916 CG TYR A 56 -12.708 9.262 4.093 1.00 0.89 C ATOM 917 CD1 TYR A 56 -12.758 10.362 3.246 1.00 0.97 C ATOM 918 CD2 TYR A 56 -13.734 8.326 4.012 1.00 0.89 C ATOM 919 CE1 TYR A 56 -13.796 10.527 2.348 1.00 1.02 C ATOM 920 CE2 TYR A 56 -14.775 8.482 3.116 1.00 0.93 C ATOM 921 CZ TYR A 56 -14.805 9.577 2.291 1.00 0.98 C ATOM 922 OH TYR A 56 -15.835 9.744 1.393 1.00 1.03 O ATOM 0 H TYR A 56 -9.871 9.706 2.750 1.00 0.80 H new ATOM 0 HA TYR A 56 -9.617 8.174 5.223 1.00 0.74 H new ATOM 0 HB2 TYR A 56 -11.885 8.417 5.872 1.00 0.85 H new ATOM 0 HB3 TYR A 56 -11.349 10.052 5.537 1.00 0.85 H new ATOM 0 HD1 TYR A 56 -11.972 11.101 3.290 1.00 0.97 H new ATOM 0 HD2 TYR A 56 -13.717 7.462 4.660 1.00 0.89 H new ATOM 0 HE1 TYR A 56 -13.821 11.388 1.697 1.00 1.02 H new ATOM 0 HE2 TYR A 56 -15.562 7.744 3.066 1.00 0.93 H new ATOM 0 HH TYR A 56 -16.463 8.996 1.472 1.00 1.03 H new ATOM 932 N TYR A 57 -10.900 6.228 4.148 1.00 0.58 N ATOM 933 CA TYR A 57 -11.264 5.021 3.422 1.00 0.48 C ATOM 934 C TYR A 57 -12.644 4.560 3.868 1.00 0.45 C ATOM 935 O TYR A 57 -12.984 4.662 5.045 1.00 0.47 O ATOM 936 CB TYR A 57 -10.235 3.916 3.664 1.00 0.43 C ATOM 937 CG TYR A 57 -8.811 4.339 3.384 1.00 0.44 C ATOM 938 CD1 TYR A 57 -8.063 5.007 4.346 1.00 0.49 C ATOM 939 CD2 TYR A 57 -8.215 4.073 2.159 1.00 0.45 C ATOM 940 CE1 TYR A 57 -6.762 5.399 4.094 1.00 0.51 C ATOM 941 CE2 TYR A 57 -6.914 4.460 1.900 1.00 0.48 C ATOM 942 CZ TYR A 57 -6.192 5.122 2.870 1.00 0.49 C ATOM 943 OH TYR A 57 -4.896 5.511 2.614 1.00 0.54 O ATOM 0 H TYR A 57 -10.878 6.115 5.161 1.00 0.58 H new ATOM 0 HA TYR A 57 -11.282 5.241 2.355 1.00 0.48 H new ATOM 0 HB2 TYR A 57 -10.309 3.584 4.699 1.00 0.43 H new ATOM 0 HB3 TYR A 57 -10.480 3.060 3.036 1.00 0.43 H new ATOM 0 HD1 TYR A 57 -8.506 5.223 5.307 1.00 0.49 H new ATOM 0 HD2 TYR A 57 -8.777 3.555 1.396 1.00 0.45 H new ATOM 0 HE1 TYR A 57 -6.195 5.919 4.852 1.00 0.51 H new ATOM 0 HE2 TYR A 57 -6.465 4.245 0.942 1.00 0.48 H new ATOM 0 HH TYR A 57 -4.646 5.239 1.706 1.00 0.54 H new ATOM 953 N TYR A 58 -13.439 4.059 2.934 1.00 0.41 N ATOM 954 CA TYR A 58 -14.778 3.592 3.268 1.00 0.41 C ATOM 955 C TYR A 58 -15.160 2.356 2.460 1.00 0.35 C ATOM 956 O TYR A 58 -14.692 2.164 1.335 1.00 0.34 O ATOM 957 CB TYR A 58 -15.806 4.716 3.075 1.00 0.46 C ATOM 958 CG TYR A 58 -16.435 4.769 1.701 1.00 0.45 C ATOM 959 CD1 TYR A 58 -15.811 5.441 0.657 1.00 0.45 C ATOM 960 CD2 TYR A 58 -17.655 4.154 1.449 1.00 0.47 C ATOM 961 CE1 TYR A 58 -16.386 5.496 -0.598 1.00 0.46 C ATOM 962 CE2 TYR A 58 -18.235 4.206 0.197 1.00 0.48 C ATOM 963 CZ TYR A 58 -17.597 4.878 -0.823 1.00 0.47 C ATOM 964 OH TYR A 58 -18.171 4.934 -2.070 1.00 0.50 O ATOM 0 H TYR A 58 -13.185 3.966 1.950 1.00 0.41 H new ATOM 0 HA TYR A 58 -14.777 3.304 4.319 1.00 0.41 H new ATOM 0 HB2 TYR A 58 -16.596 4.598 3.817 1.00 0.46 H new ATOM 0 HB3 TYR A 58 -15.321 5.672 3.275 1.00 0.46 H new ATOM 0 HD1 TYR A 58 -14.862 5.928 0.829 1.00 0.45 H new ATOM 0 HD2 TYR A 58 -18.158 3.626 2.246 1.00 0.47 H new ATOM 0 HE1 TYR A 58 -15.888 6.021 -1.400 1.00 0.46 H new ATOM 0 HE2 TYR A 58 -19.184 3.722 0.018 1.00 0.48 H new ATOM 0 HH TYR A 58 -19.022 4.447 -2.061 1.00 0.50 H new ATOM 974 N ASN A 59 -16.007 1.521 3.055 1.00 0.34 N ATOM 975 CA ASN A 59 -16.461 0.293 2.408 1.00 0.32 C ATOM 976 C ASN A 59 -17.868 0.472 1.842 1.00 0.35 C ATOM 977 O ASN A 59 -18.837 0.525 2.593 1.00 0.41 O ATOM 978 CB ASN A 59 -16.445 -0.865 3.407 1.00 0.33 C ATOM 979 CG ASN A 59 -16.304 -2.215 2.733 1.00 0.33 C ATOM 980 OD1 ASN A 59 -17.090 -2.569 1.854 1.00 0.44 O ATOM 981 ND2 ASN A 59 -15.296 -2.976 3.142 1.00 0.46 N ATOM 0 H ASN A 59 -16.394 1.673 3.987 1.00 0.34 H new ATOM 0 HA ASN A 59 -15.782 0.065 1.587 1.00 0.32 H new ATOM 0 HB2 ASN A 59 -15.621 -0.725 4.107 1.00 0.33 H new ATOM 0 HB3 ASN A 59 -17.365 -0.849 3.991 1.00 0.33 H new ATOM 0 HD21 ASN A 59 -15.149 -3.895 2.724 1.00 0.46 H new ATOM 0 HD22 ASN A 59 -14.669 -2.642 3.874 1.00 0.46 H new ATOM 988 N PRO A 60 -17.999 0.580 0.508 1.00 0.36 N ATOM 989 CA PRO A 60 -19.299 0.767 -0.149 1.00 0.42 C ATOM 990 C PRO A 60 -20.189 -0.469 -0.061 1.00 0.45 C ATOM 991 O PRO A 60 -21.364 -0.421 -0.425 1.00 0.46 O ATOM 992 CB PRO A 60 -18.935 1.055 -1.614 1.00 0.47 C ATOM 993 CG PRO A 60 -17.466 1.322 -1.619 1.00 0.43 C ATOM 994 CD PRO A 60 -16.900 0.545 -0.468 1.00 0.36 C ATOM 0 HA PRO A 60 -19.871 1.563 0.327 1.00 0.42 H new ATOM 0 HB2 PRO A 60 -19.181 0.207 -2.253 1.00 0.47 H new ATOM 0 HB3 PRO A 60 -19.490 1.912 -1.994 1.00 0.47 H new ATOM 0 HG2 PRO A 60 -17.016 1.008 -2.561 1.00 0.43 H new ATOM 0 HG3 PRO A 60 -17.263 2.387 -1.508 1.00 0.43 H new ATOM 0 HD2 PRO A 60 -16.643 -0.475 -0.754 1.00 0.36 H new ATOM 0 HD3 PRO A 60 -15.993 1.004 -0.075 1.00 0.36 H new ATOM 1002 N THR A 61 -19.627 -1.577 0.414 1.00 0.47 N ATOM 1003 CA THR A 61 -20.381 -2.822 0.533 1.00 0.53 C ATOM 1004 C THR A 61 -21.138 -2.893 1.860 1.00 0.58 C ATOM 1005 O THR A 61 -22.316 -3.251 1.893 1.00 0.64 O ATOM 1006 CB THR A 61 -19.447 -4.047 0.408 1.00 0.53 C ATOM 1007 OG1 THR A 61 -19.294 -4.406 -0.969 1.00 0.96 O ATOM 1008 CG2 THR A 61 -19.984 -5.242 1.186 1.00 0.81 C ATOM 0 H THR A 61 -18.656 -1.639 0.722 1.00 0.47 H new ATOM 0 HA THR A 61 -21.104 -2.838 -0.282 1.00 0.53 H new ATOM 0 HB THR A 61 -18.480 -3.771 0.830 1.00 0.53 H new ATOM 0 HG1 THR A 61 -18.700 -5.182 -1.041 1.00 0.96 H new ATOM 0 HG21 THR A 61 -19.302 -6.085 1.075 1.00 0.81 H new ATOM 0 HG22 THR A 61 -20.070 -4.981 2.241 1.00 0.81 H new ATOM 0 HG23 THR A 61 -20.965 -5.517 0.799 1.00 0.81 H new ATOM 1016 N THR A 62 -20.454 -2.560 2.948 1.00 0.57 N ATOM 1017 CA THR A 62 -21.061 -2.597 4.276 1.00 0.65 C ATOM 1018 C THR A 62 -21.298 -1.189 4.815 1.00 0.65 C ATOM 1019 O THR A 62 -21.815 -1.014 5.920 1.00 0.72 O ATOM 1020 CB THR A 62 -20.181 -3.392 5.269 1.00 0.67 C ATOM 1021 OG1 THR A 62 -20.231 -2.798 6.571 1.00 0.66 O ATOM 1022 CG2 THR A 62 -18.738 -3.452 4.790 1.00 0.73 C ATOM 0 H THR A 62 -19.479 -2.261 2.938 1.00 0.57 H new ATOM 0 HA THR A 62 -22.023 -3.100 4.176 1.00 0.65 H new ATOM 0 HB THR A 62 -20.574 -4.407 5.323 1.00 0.67 H new ATOM 0 HG1 THR A 62 -21.148 -2.511 6.765 1.00 0.66 H new ATOM 0 HG21 THR A 62 -18.140 -4.016 5.506 1.00 0.73 H new ATOM 0 HG22 THR A 62 -18.698 -3.942 3.817 1.00 0.73 H new ATOM 0 HG23 THR A 62 -18.341 -2.441 4.703 1.00 0.73 H new ATOM 1030 N ARG A 63 -20.910 -0.192 4.025 1.00 0.58 N ATOM 1031 CA ARG A 63 -21.063 1.210 4.411 1.00 0.59 C ATOM 1032 C ARG A 63 -20.144 1.538 5.583 1.00 0.60 C ATOM 1033 O ARG A 63 -20.475 2.359 6.439 1.00 0.62 O ATOM 1034 CB ARG A 63 -22.519 1.523 4.772 1.00 0.67 C ATOM 1035 CG ARG A 63 -23.515 1.092 3.707 1.00 0.80 C ATOM 1036 CD ARG A 63 -24.631 2.110 3.539 1.00 1.42 C ATOM 1037 NE ARG A 63 -25.925 1.472 3.315 1.00 2.00 N ATOM 1038 CZ ARG A 63 -27.043 2.141 3.043 1.00 2.29 C ATOM 1039 NH1 ARG A 63 -27.025 3.466 2.965 1.00 2.24 N ATOM 1040 NH2 ARG A 63 -28.180 1.485 2.850 1.00 3.10 N ATOM 0 H ARG A 63 -20.485 -0.329 3.108 1.00 0.58 H new ATOM 0 HA ARG A 63 -20.784 1.831 3.560 1.00 0.59 H new ATOM 0 HB2 ARG A 63 -22.766 1.028 5.711 1.00 0.67 H new ATOM 0 HB3 ARG A 63 -22.621 2.595 4.940 1.00 0.67 H new ATOM 0 HG2 ARG A 63 -22.998 0.959 2.757 1.00 0.80 H new ATOM 0 HG3 ARG A 63 -23.941 0.126 3.976 1.00 0.80 H new ATOM 0 HD2 ARG A 63 -24.686 2.738 4.428 1.00 1.42 H new ATOM 0 HD3 ARG A 63 -24.400 2.766 2.699 1.00 1.42 H new ATOM 0 HE ARG A 63 -25.975 0.455 3.370 1.00 2.00 H new ATOM 0 HH11 ARG A 63 -26.153 3.974 3.114 1.00 2.24 H new ATOM 0 HH12 ARG A 63 -27.883 3.976 2.756 1.00 2.24 H new ATOM 0 HH21 ARG A 63 -28.198 0.467 2.910 1.00 3.10 H new ATOM 0 HH22 ARG A 63 -29.036 1.999 2.642 1.00 3.10 H new ATOM 1054 N GLU A 64 -18.986 0.883 5.610 1.00 0.60 N ATOM 1055 CA GLU A 64 -18.004 1.088 6.668 1.00 0.62 C ATOM 1056 C GLU A 64 -17.286 2.422 6.500 1.00 0.56 C ATOM 1057 O GLU A 64 -17.497 3.132 5.515 1.00 0.62 O ATOM 1058 CB GLU A 64 -16.991 -0.057 6.690 1.00 0.59 C ATOM 1059 CG GLU A 64 -17.468 -1.283 7.454 1.00 0.79 C ATOM 1060 CD GLU A 64 -18.169 -0.928 8.751 1.00 1.62 C ATOM 1061 OE1 GLU A 64 -17.470 -0.663 9.751 1.00 1.85 O ATOM 1062 OE2 GLU A 64 -19.419 -0.913 8.765 1.00 2.43 O ATOM 0 H GLU A 64 -18.705 0.201 4.905 1.00 0.60 H new ATOM 0 HA GLU A 64 -18.537 1.105 7.619 1.00 0.62 H new ATOM 0 HB2 GLU A 64 -16.761 -0.346 5.665 1.00 0.59 H new ATOM 0 HB3 GLU A 64 -16.063 0.300 7.137 1.00 0.59 H new ATOM 0 HG2 GLU A 64 -18.147 -1.857 6.824 1.00 0.79 H new ATOM 0 HG3 GLU A 64 -16.615 -1.926 7.671 1.00 0.79 H new ATOM 1069 N THR A 65 -16.414 2.739 7.454 1.00 0.68 N ATOM 1070 CA THR A 65 -15.643 3.976 7.398 1.00 0.64 C ATOM 1071 C THR A 65 -14.448 3.956 8.349 1.00 0.63 C ATOM 1072 O THR A 65 -14.611 3.909 9.568 1.00 0.69 O ATOM 1073 CB THR A 65 -16.522 5.195 7.730 1.00 0.77 C ATOM 1074 OG1 THR A 65 -17.756 4.765 8.320 1.00 0.91 O ATOM 1075 CG2 THR A 65 -16.811 6.009 6.478 1.00 0.67 C ATOM 0 H THR A 65 -16.225 2.159 8.271 1.00 0.68 H new ATOM 0 HA THR A 65 -15.273 4.057 6.376 1.00 0.64 H new ATOM 0 HB THR A 65 -15.981 5.823 8.438 1.00 0.77 H new ATOM 0 HG1 THR A 65 -18.308 5.547 8.529 1.00 0.91 H new ATOM 0 HG21 THR A 65 -17.434 6.865 6.737 1.00 0.67 H new ATOM 0 HG22 THR A 65 -15.873 6.359 6.047 1.00 0.67 H new ATOM 0 HG23 THR A 65 -17.334 5.386 5.752 1.00 0.67 H new ATOM 1083 N SER A 66 -13.248 4.013 7.778 1.00 0.55 N ATOM 1084 CA SER A 66 -12.017 4.023 8.560 1.00 0.55 C ATOM 1085 C SER A 66 -11.103 5.147 8.078 1.00 0.56 C ATOM 1086 O SER A 66 -11.011 5.404 6.878 1.00 0.56 O ATOM 1087 CB SER A 66 -11.299 2.677 8.447 1.00 0.48 C ATOM 1088 OG SER A 66 -10.816 2.249 9.709 1.00 1.09 O ATOM 0 H SER A 66 -13.103 4.053 6.769 1.00 0.55 H new ATOM 0 HA SER A 66 -12.270 4.193 9.606 1.00 0.55 H new ATOM 0 HB2 SER A 66 -11.982 1.930 8.043 1.00 0.48 H new ATOM 0 HB3 SER A 66 -10.469 2.762 7.746 1.00 0.48 H new ATOM 0 HG SER A 66 -10.363 1.386 9.610 1.00 1.09 H new ATOM 1094 N TRP A 67 -10.430 5.815 9.010 1.00 0.63 N ATOM 1095 CA TRP A 67 -9.531 6.909 8.656 1.00 0.68 C ATOM 1096 C TRP A 67 -8.204 6.379 8.118 1.00 0.62 C ATOM 1097 O TRP A 67 -7.330 7.152 7.724 1.00 0.68 O ATOM 1098 CB TRP A 67 -9.282 7.810 9.867 1.00 0.77 C ATOM 1099 CG TRP A 67 -10.466 8.653 10.236 1.00 0.90 C ATOM 1100 CD1 TRP A 67 -11.306 8.463 11.295 1.00 0.97 C ATOM 1101 CD2 TRP A 67 -10.944 9.817 9.548 1.00 1.00 C ATOM 1102 NE1 TRP A 67 -12.276 9.435 11.310 1.00 1.09 N ATOM 1103 CE2 TRP A 67 -12.076 10.279 10.247 1.00 1.11 C ATOM 1104 CE3 TRP A 67 -10.527 10.516 8.410 1.00 1.06 C ATOM 1105 CZ2 TRP A 67 -12.793 11.403 9.847 1.00 1.23 C ATOM 1106 CZ3 TRP A 67 -11.239 11.632 8.012 1.00 1.21 C ATOM 1107 CH2 TRP A 67 -12.361 12.065 8.730 1.00 1.28 C ATOM 0 H TRP A 67 -10.489 5.620 10.009 1.00 0.63 H new ATOM 0 HA TRP A 67 -10.010 7.494 7.871 1.00 0.68 H new ATOM 0 HB2 TRP A 67 -9.006 7.191 10.721 1.00 0.77 H new ATOM 0 HB3 TRP A 67 -8.433 8.461 9.658 1.00 0.77 H new ATOM 0 HD1 TRP A 67 -11.220 7.664 12.017 1.00 0.97 H new ATOM 0 HE1 TRP A 67 -13.023 9.516 11.999 1.00 1.09 H new ATOM 0 HE3 TRP A 67 -9.663 10.189 7.851 1.00 1.06 H new ATOM 0 HZ2 TRP A 67 -13.658 11.740 10.398 1.00 1.23 H new ATOM 0 HZ3 TRP A 67 -10.926 12.178 7.135 1.00 1.21 H new ATOM 0 HH2 TRP A 67 -12.897 12.941 8.395 1.00 1.28 H new ATOM 1118 N THR A 68 -8.062 5.056 8.102 1.00 0.54 N ATOM 1119 CA THR A 68 -6.843 4.420 7.611 1.00 0.50 C ATOM 1120 C THR A 68 -7.113 2.986 7.169 1.00 0.45 C ATOM 1121 O THR A 68 -8.059 2.352 7.633 1.00 0.44 O ATOM 1122 CB THR A 68 -5.741 4.410 8.687 1.00 0.50 C ATOM 1123 OG1 THR A 68 -6.329 4.444 9.993 1.00 1.17 O ATOM 1124 CG2 THR A 68 -4.806 5.598 8.516 1.00 1.42 C ATOM 0 H THR A 68 -8.777 4.403 8.424 1.00 0.54 H new ATOM 0 HA THR A 68 -6.503 5.006 6.757 1.00 0.50 H new ATOM 0 HB THR A 68 -5.163 3.493 8.573 1.00 0.50 H new ATOM 0 HG1 THR A 68 -5.621 4.436 10.671 1.00 1.17 H new ATOM 0 HG21 THR A 68 -4.036 5.569 9.287 1.00 1.42 H new ATOM 0 HG22 THR A 68 -4.337 5.553 7.533 1.00 1.42 H new ATOM 0 HG23 THR A 68 -5.374 6.524 8.605 1.00 1.42 H new ATOM 1132 N ILE A 69 -6.270 2.477 6.273 1.00 0.43 N ATOM 1133 CA ILE A 69 -6.417 1.114 5.776 1.00 0.39 C ATOM 1134 C ILE A 69 -6.299 0.107 6.922 1.00 0.35 C ATOM 1135 O ILE A 69 -5.230 -0.047 7.512 1.00 0.35 O ATOM 1136 CB ILE A 69 -5.360 0.792 4.696 1.00 0.44 C ATOM 1137 CG1 ILE A 69 -5.664 1.563 3.409 1.00 0.57 C ATOM 1138 CG2 ILE A 69 -5.313 -0.705 4.419 1.00 0.38 C ATOM 1139 CD1 ILE A 69 -4.557 1.487 2.377 1.00 0.62 C ATOM 0 H ILE A 69 -5.480 2.988 5.878 1.00 0.43 H new ATOM 0 HA ILE A 69 -7.407 1.036 5.327 1.00 0.39 H new ATOM 0 HB ILE A 69 -4.383 1.102 5.067 1.00 0.44 H new ATOM 0 HG12 ILE A 69 -6.584 1.174 2.972 1.00 0.57 H new ATOM 0 HG13 ILE A 69 -5.846 2.609 3.657 1.00 0.57 H new ATOM 0 HG21 ILE A 69 -4.562 -0.910 3.656 1.00 0.38 H new ATOM 0 HG22 ILE A 69 -5.054 -1.237 5.335 1.00 0.38 H new ATOM 0 HG23 ILE A 69 -6.289 -1.041 4.068 1.00 0.38 H new ATOM 0 HD11 ILE A 69 -4.844 2.057 1.493 1.00 0.62 H new ATOM 0 HD12 ILE A 69 -3.640 1.903 2.795 1.00 0.62 H new ATOM 0 HD13 ILE A 69 -4.389 0.446 2.099 1.00 0.62 H new ATOM 1151 N PRO A 70 -7.405 -0.586 7.259 1.00 0.36 N ATOM 1152 CA PRO A 70 -7.419 -1.573 8.347 1.00 0.37 C ATOM 1153 C PRO A 70 -6.353 -2.649 8.180 1.00 0.38 C ATOM 1154 O PRO A 70 -5.690 -2.730 7.144 1.00 0.41 O ATOM 1155 CB PRO A 70 -8.816 -2.192 8.256 1.00 0.37 C ATOM 1156 CG PRO A 70 -9.648 -1.165 7.568 1.00 0.36 C ATOM 1157 CD PRO A 70 -8.726 -0.457 6.615 1.00 0.42 C ATOM 0 HA PRO A 70 -7.204 -1.109 9.309 1.00 0.37 H new ATOM 0 HB2 PRO A 70 -8.798 -3.126 7.695 1.00 0.37 H new ATOM 0 HB3 PRO A 70 -9.211 -2.422 9.245 1.00 0.37 H new ATOM 0 HG2 PRO A 70 -10.479 -1.628 7.036 1.00 0.36 H new ATOM 0 HG3 PRO A 70 -10.079 -0.467 8.286 1.00 0.36 H new ATOM 0 HD2 PRO A 70 -8.738 -0.917 5.627 1.00 0.42 H new ATOM 0 HD3 PRO A 70 -9.009 0.587 6.483 1.00 0.42 H new ATOM 1165 N ALA A 71 -6.195 -3.479 9.206 1.00 0.48 N ATOM 1166 CA ALA A 71 -5.214 -4.556 9.179 1.00 0.53 C ATOM 1167 C ALA A 71 -5.739 -5.751 8.393 1.00 0.50 C ATOM 1168 O ALA A 71 -6.755 -6.344 8.754 1.00 0.50 O ATOM 1169 CB ALA A 71 -4.847 -4.974 10.595 1.00 0.65 C ATOM 0 H ALA A 71 -6.736 -3.425 10.069 1.00 0.48 H new ATOM 0 HA ALA A 71 -4.318 -4.187 8.679 1.00 0.53 H new ATOM 0 HB1 ALA A 71 -4.113 -5.779 10.558 1.00 0.65 H new ATOM 0 HB2 ALA A 71 -4.424 -4.122 11.128 1.00 0.65 H new ATOM 0 HB3 ALA A 71 -5.740 -5.320 11.115 1.00 0.65 H new ATOM 1175 N PHE A 72 -5.042 -6.094 7.314 1.00 0.50 N ATOM 1176 CA PHE A 72 -5.443 -7.215 6.475 1.00 0.52 C ATOM 1177 C PHE A 72 -4.380 -8.309 6.478 1.00 0.61 C ATOM 1178 O PHE A 72 -3.389 -8.231 5.752 1.00 0.64 O ATOM 1179 CB PHE A 72 -5.704 -6.738 5.044 1.00 0.49 C ATOM 1180 CG PHE A 72 -6.678 -5.593 4.962 1.00 0.40 C ATOM 1181 CD1 PHE A 72 -7.846 -5.602 5.709 1.00 0.37 C ATOM 1182 CD2 PHE A 72 -6.422 -4.507 4.139 1.00 0.40 C ATOM 1183 CE1 PHE A 72 -8.739 -4.551 5.637 1.00 0.33 C ATOM 1184 CE2 PHE A 72 -7.313 -3.455 4.062 1.00 0.38 C ATOM 1185 CZ PHE A 72 -8.474 -3.476 4.812 1.00 0.34 C ATOM 0 H PHE A 72 -4.199 -5.612 7.002 1.00 0.50 H new ATOM 0 HA PHE A 72 -6.363 -7.633 6.884 1.00 0.52 H new ATOM 0 HB2 PHE A 72 -4.759 -6.434 4.592 1.00 0.49 H new ATOM 0 HB3 PHE A 72 -6.085 -7.572 4.455 1.00 0.49 H new ATOM 0 HD1 PHE A 72 -8.060 -6.441 6.355 1.00 0.37 H new ATOM 0 HD2 PHE A 72 -5.516 -4.484 3.552 1.00 0.40 H new ATOM 0 HE1 PHE A 72 -9.644 -4.570 6.226 1.00 0.33 H new ATOM 0 HE2 PHE A 72 -7.103 -2.616 3.416 1.00 0.38 H new ATOM 0 HZ PHE A 72 -9.172 -2.654 4.753 1.00 0.34 H new ATOM 1195 N GLU A 73 -4.598 -9.329 7.303 1.00 0.68 N ATOM 1196 CA GLU A 73 -3.664 -10.445 7.405 1.00 0.78 C ATOM 1197 C GLU A 73 -4.227 -11.685 6.718 1.00 0.93 C ATOM 1198 O GLU A 73 -5.398 -12.023 6.891 1.00 1.03 O ATOM 1199 CB GLU A 73 -3.362 -10.754 8.873 1.00 0.62 C ATOM 1200 CG GLU A 73 -4.604 -11.005 9.713 1.00 1.34 C ATOM 1201 CD GLU A 73 -4.671 -12.424 10.245 1.00 2.08 C ATOM 1202 OE1 GLU A 73 -4.297 -13.355 9.501 1.00 2.81 O ATOM 1203 OE2 GLU A 73 -5.097 -12.602 11.405 1.00 2.45 O ATOM 0 H GLU A 73 -5.414 -9.405 7.911 1.00 0.68 H new ATOM 0 HA GLU A 73 -2.738 -10.160 6.905 1.00 0.78 H new ATOM 0 HB2 GLU A 73 -2.716 -11.630 8.925 1.00 0.62 H new ATOM 0 HB3 GLU A 73 -2.805 -9.921 9.303 1.00 0.62 H new ATOM 0 HG2 GLU A 73 -4.620 -10.306 10.549 1.00 1.34 H new ATOM 0 HG3 GLU A 73 -5.491 -10.804 9.113 1.00 1.34 H new ATOM 1210 N LYS A 74 -3.387 -12.354 5.934 1.00 1.28 N ATOM 1211 CA LYS A 74 -3.797 -13.554 5.217 1.00 1.61 C ATOM 1212 C LYS A 74 -4.409 -14.579 6.167 1.00 1.73 C ATOM 1213 O LYS A 74 -3.746 -15.064 7.084 1.00 2.07 O ATOM 1214 CB LYS A 74 -2.604 -14.170 4.486 1.00 2.16 C ATOM 1215 CG LYS A 74 -2.093 -13.323 3.333 1.00 3.12 C ATOM 1216 CD LYS A 74 -0.575 -13.309 3.284 1.00 3.46 C ATOM 1217 CE LYS A 74 -0.036 -14.423 2.401 1.00 3.75 C ATOM 1218 NZ LYS A 74 1.399 -14.705 2.676 1.00 4.47 N ATOM 0 H LYS A 74 -2.416 -12.083 5.780 1.00 1.28 H new ATOM 0 HA LYS A 74 -4.554 -13.266 4.487 1.00 1.61 H new ATOM 0 HB2 LYS A 74 -1.794 -14.326 5.198 1.00 2.16 H new ATOM 0 HB3 LYS A 74 -2.888 -15.151 4.107 1.00 2.16 H new ATOM 0 HG2 LYS A 74 -2.485 -13.711 2.393 1.00 3.12 H new ATOM 0 HG3 LYS A 74 -2.464 -12.303 3.436 1.00 3.12 H new ATOM 0 HD2 LYS A 74 -0.231 -12.346 2.907 1.00 3.46 H new ATOM 0 HD3 LYS A 74 -0.176 -13.418 4.293 1.00 3.46 H new ATOM 0 HE2 LYS A 74 -0.621 -15.329 2.562 1.00 3.75 H new ATOM 0 HE3 LYS A 74 -0.157 -14.147 1.354 1.00 3.75 H new ATOM 0 HZ1 LYS A 74 1.728 -15.470 2.053 1.00 4.47 H new ATOM 0 HZ2 LYS A 74 1.961 -13.848 2.498 1.00 4.47 H new ATOM 0 HZ3 LYS A 74 1.512 -14.994 3.669 1.00 4.47 H new ATOM 1232 N LYS A 75 -5.678 -14.906 5.940 1.00 2.05 N ATOM 1233 CA LYS A 75 -6.379 -15.874 6.774 1.00 2.61 C ATOM 1234 C LYS A 75 -5.884 -17.291 6.499 1.00 3.03 C ATOM 1235 O LYS A 75 -5.667 -18.040 7.474 1.00 3.28 O ATOM 1236 CB LYS A 75 -7.887 -15.792 6.528 1.00 3.44 C ATOM 1237 CG LYS A 75 -8.456 -14.394 6.697 1.00 3.82 C ATOM 1238 CD LYS A 75 -8.589 -14.021 8.163 1.00 4.46 C ATOM 1239 CE LYS A 75 -9.660 -12.962 8.371 1.00 5.61 C ATOM 1240 NZ LYS A 75 -9.477 -11.803 7.454 1.00 6.24 N ATOM 1241 OXT LYS A 75 -5.715 -17.637 5.311 1.00 3.66 O ATOM 0 H LYS A 75 -6.241 -14.514 5.185 1.00 2.05 H new ATOM 0 HA LYS A 75 -6.173 -15.633 7.817 1.00 2.61 H new ATOM 0 HB2 LYS A 75 -8.102 -16.143 5.519 1.00 3.44 H new ATOM 0 HB3 LYS A 75 -8.396 -16.468 7.215 1.00 3.44 H new ATOM 0 HG2 LYS A 75 -7.810 -13.674 6.194 1.00 3.82 H new ATOM 0 HG3 LYS A 75 -9.432 -14.337 6.216 1.00 3.82 H new ATOM 0 HD2 LYS A 75 -8.835 -14.909 8.745 1.00 4.46 H new ATOM 0 HD3 LYS A 75 -7.633 -13.652 8.534 1.00 4.46 H new ATOM 0 HE2 LYS A 75 -10.643 -13.403 8.208 1.00 5.61 H new ATOM 0 HE3 LYS A 75 -9.633 -12.616 9.404 1.00 5.61 H new ATOM 0 HZ1 LYS A 75 -10.066 -11.009 7.777 1.00 6.24 H new ATOM 0 HZ2 LYS A 75 -8.478 -11.515 7.453 1.00 6.24 H new ATOM 0 HZ3 LYS A 75 -9.760 -12.075 6.491 1.00 6.24 H new TER 1255 LYS A 75