USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 590 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 18 ASN : amide:sc= -5.06! C(o=-12!,f=-16!) USER MOD Set 1.2: A 21 THR OG1 : rot 162:sc= -7.37! USER MOD Single : A 2 SER OG : rot -24:sc= 0.467 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.0908) 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 19 THR OG1 : rot 180:sc= 0 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= 0.213 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= -2.65 K(o=-2.7,f=-0.63) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 127:sc= -2.41! 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= -0.269 K(o=-0.27,f=-10!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 10:sc= 0.0704! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -118:sc= 1.19 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 7.436 -3.712 3.519 1.00 1.27 N ATOM 19 CA SER A 2 8.514 -4.625 3.159 1.00 0.64 C ATOM 20 C SER A 2 9.695 -3.875 2.563 1.00 0.57 C ATOM 21 O SER A 2 10.478 -3.250 3.278 1.00 0.62 O ATOM 22 CB SER A 2 8.005 -5.683 2.179 1.00 1.37 C ATOM 23 OG SER A 2 7.037 -5.141 1.296 1.00 2.15 O ATOM 0 HA SER A 2 8.856 -5.120 4.068 1.00 0.64 H new ATOM 0 HB2 SER A 2 8.841 -6.083 1.605 1.00 1.37 H new ATOM 0 HB3 SER A 2 7.571 -6.516 2.732 1.00 1.37 H new ATOM 0 HG SER A 2 6.619 -4.357 1.710 1.00 2.15 H new ATOM 29 N ILE A 3 9.811 -3.959 1.254 1.00 0.57 N ATOM 30 CA ILE A 3 10.892 -3.311 0.523 1.00 0.52 C ATOM 31 C ILE A 3 11.045 -1.841 0.911 1.00 0.43 C ATOM 32 O ILE A 3 12.160 -1.319 0.951 1.00 0.47 O ATOM 33 CB ILE A 3 10.667 -3.413 -0.999 1.00 0.54 C ATOM 34 CG1 ILE A 3 10.297 -4.858 -1.380 1.00 0.67 C ATOM 35 CG2 ILE A 3 11.904 -2.936 -1.748 1.00 0.53 C ATOM 36 CD1 ILE A 3 10.876 -5.332 -2.700 1.00 0.52 C ATOM 0 H ILE A 3 9.161 -4.477 0.662 1.00 0.57 H new ATOM 0 HA ILE A 3 11.809 -3.836 0.792 1.00 0.52 H new ATOM 0 HB ILE A 3 9.837 -2.767 -1.285 1.00 0.54 H new ATOM 0 HG12 ILE A 3 10.636 -5.526 -0.589 1.00 0.67 H new ATOM 0 HG13 ILE A 3 9.211 -4.941 -1.424 1.00 0.67 H new ATOM 0 HG21 ILE A 3 11.732 -3.013 -2.822 1.00 0.53 H new ATOM 0 HG22 ILE A 3 12.109 -1.898 -1.487 1.00 0.53 H new ATOM 0 HG23 ILE A 3 12.758 -3.555 -1.472 1.00 0.53 H new ATOM 0 HD11 ILE A 3 10.563 -6.359 -2.886 1.00 0.52 H new ATOM 0 HD12 ILE A 3 10.517 -4.692 -3.506 1.00 0.52 H new ATOM 0 HD13 ILE A 3 11.964 -5.286 -2.657 1.00 0.52 H new ATOM 48 N TRP A 4 9.928 -1.176 1.192 1.00 0.37 N ATOM 49 CA TRP A 4 9.958 0.234 1.569 1.00 0.31 C ATOM 50 C TRP A 4 9.716 0.416 3.063 1.00 0.34 C ATOM 51 O TRP A 4 9.134 -0.448 3.720 1.00 0.39 O ATOM 52 CB TRP A 4 8.924 1.016 0.760 1.00 0.31 C ATOM 53 CG TRP A 4 9.240 1.049 -0.703 1.00 0.27 C ATOM 54 CD1 TRP A 4 8.792 0.182 -1.656 1.00 0.27 C ATOM 55 CD2 TRP A 4 10.085 1.988 -1.377 1.00 0.25 C ATOM 56 NE1 TRP A 4 9.312 0.521 -2.882 1.00 0.25 N ATOM 57 CE2 TRP A 4 10.107 1.628 -2.738 1.00 0.24 C ATOM 58 CE3 TRP A 4 10.827 3.098 -0.963 1.00 0.26 C ATOM 59 CZ2 TRP A 4 10.839 2.338 -3.685 1.00 0.25 C ATOM 60 CZ3 TRP A 4 11.553 3.802 -1.904 1.00 0.26 C ATOM 61 CH2 TRP A 4 11.554 3.420 -3.252 1.00 0.26 C ATOM 0 H TRP A 4 8.995 -1.588 1.166 1.00 0.37 H new ATOM 0 HA TRP A 4 10.952 0.623 1.346 1.00 0.31 H new ATOM 0 HB2 TRP A 4 7.941 0.568 0.905 1.00 0.31 H new ATOM 0 HB3 TRP A 4 8.869 2.037 1.139 1.00 0.31 H new ATOM 0 HD1 TRP A 4 8.126 -0.649 -1.474 1.00 0.27 H new ATOM 0 HE1 TRP A 4 9.135 0.028 -3.757 1.00 0.25 H new ATOM 0 HE3 TRP A 4 10.833 3.400 0.074 1.00 0.26 H new ATOM 0 HZ2 TRP A 4 10.842 2.045 -4.724 1.00 0.25 H new ATOM 0 HZ3 TRP A 4 12.130 4.661 -1.595 1.00 0.26 H new ATOM 0 HH2 TRP A 4 12.131 3.992 -3.963 1.00 0.26 H new ATOM 72 N LYS A 5 10.176 1.548 3.593 1.00 0.32 N ATOM 73 CA LYS A 5 10.023 1.851 5.011 1.00 0.36 C ATOM 74 C LYS A 5 9.685 3.329 5.210 1.00 0.35 C ATOM 75 O LYS A 5 9.964 4.160 4.347 1.00 0.31 O ATOM 76 CB LYS A 5 11.313 1.474 5.760 1.00 0.39 C ATOM 77 CG LYS A 5 11.841 2.543 6.702 1.00 0.93 C ATOM 78 CD LYS A 5 12.351 1.926 7.985 1.00 0.71 C ATOM 79 CE LYS A 5 11.222 1.661 8.966 1.00 1.55 C ATOM 80 NZ LYS A 5 11.718 1.534 10.364 1.00 1.94 N ATOM 0 H LYS A 5 10.658 2.271 3.059 1.00 0.32 H new ATOM 0 HA LYS A 5 9.199 1.265 5.417 1.00 0.36 H new ATOM 0 HB2 LYS A 5 11.131 0.564 6.332 1.00 0.39 H new ATOM 0 HB3 LYS A 5 12.086 1.241 5.028 1.00 0.39 H new ATOM 0 HG2 LYS A 5 12.644 3.098 6.216 1.00 0.93 H new ATOM 0 HG3 LYS A 5 11.050 3.258 6.927 1.00 0.93 H new ATOM 0 HD2 LYS A 5 12.865 0.992 7.761 1.00 0.71 H new ATOM 0 HD3 LYS A 5 13.083 2.591 8.443 1.00 0.71 H new ATOM 0 HE2 LYS A 5 10.496 2.472 8.911 1.00 1.55 H new ATOM 0 HE3 LYS A 5 10.701 0.747 8.681 1.00 1.55 H new ATOM 0 HZ1 LYS A 5 10.916 1.354 11.002 1.00 1.94 H new ATOM 0 HZ2 LYS A 5 12.392 0.744 10.423 1.00 1.94 H new ATOM 0 HZ3 LYS A 5 12.193 2.416 10.645 1.00 1.94 H new ATOM 94 N GLU A 6 9.092 3.649 6.357 1.00 0.37 N ATOM 95 CA GLU A 6 8.729 5.027 6.670 1.00 0.37 C ATOM 96 C GLU A 6 9.784 5.664 7.569 1.00 0.32 C ATOM 97 O GLU A 6 9.925 5.295 8.734 1.00 0.37 O ATOM 98 CB GLU A 6 7.358 5.077 7.350 1.00 0.45 C ATOM 99 CG GLU A 6 7.001 6.445 7.907 1.00 1.05 C ATOM 100 CD GLU A 6 7.046 6.490 9.422 1.00 2.02 C ATOM 101 OE1 GLU A 6 6.610 5.507 10.058 1.00 2.26 O ATOM 102 OE2 GLU A 6 7.515 7.509 9.972 1.00 2.86 O ATOM 0 H GLU A 6 8.853 2.974 7.083 1.00 0.37 H new ATOM 0 HA GLU A 6 8.678 5.590 5.738 1.00 0.37 H new ATOM 0 HB2 GLU A 6 6.595 4.777 6.632 1.00 0.45 H new ATOM 0 HB3 GLU A 6 7.338 4.348 8.160 1.00 0.45 H new ATOM 0 HG2 GLU A 6 7.690 7.188 7.505 1.00 1.05 H new ATOM 0 HG3 GLU A 6 6.002 6.721 7.569 1.00 1.05 H new ATOM 109 N ALA A 7 10.518 6.625 7.018 1.00 0.27 N ATOM 110 CA ALA A 7 11.559 7.319 7.769 1.00 0.25 C ATOM 111 C ALA A 7 11.279 8.816 7.815 1.00 0.26 C ATOM 112 O ALA A 7 10.492 9.330 7.020 1.00 0.28 O ATOM 113 CB ALA A 7 12.924 7.048 7.153 1.00 0.22 C ATOM 0 H ALA A 7 10.412 6.941 6.054 1.00 0.27 H new ATOM 0 HA ALA A 7 11.559 6.941 8.791 1.00 0.25 H new ATOM 0 HB1 ALA A 7 13.691 7.572 7.723 1.00 0.22 H new ATOM 0 HB2 ALA A 7 13.126 5.977 7.172 1.00 0.22 H new ATOM 0 HB3 ALA A 7 12.934 7.401 6.122 1.00 0.22 H new ATOM 119 N LYS A 8 11.915 9.514 8.753 1.00 0.27 N ATOM 120 CA LYS A 8 11.712 10.951 8.888 1.00 0.31 C ATOM 121 C LYS A 8 13.014 11.697 8.610 1.00 0.31 C ATOM 122 O LYS A 8 14.070 11.329 9.125 1.00 0.29 O ATOM 123 CB LYS A 8 11.219 11.282 10.300 1.00 0.34 C ATOM 124 CG LYS A 8 10.072 12.275 10.326 1.00 0.41 C ATOM 125 CD LYS A 8 8.982 11.837 11.289 1.00 0.51 C ATOM 126 CE LYS A 8 8.281 13.033 11.915 1.00 1.09 C ATOM 127 NZ LYS A 8 6.896 12.702 12.350 1.00 1.32 N ATOM 0 H LYS A 8 12.569 9.111 9.424 1.00 0.27 H new ATOM 0 HA LYS A 8 10.961 11.266 8.163 1.00 0.31 H new ATOM 0 HB2 LYS A 8 10.903 10.361 10.790 1.00 0.34 H new ATOM 0 HB3 LYS A 8 12.049 11.684 10.881 1.00 0.34 H new ATOM 0 HG2 LYS A 8 10.445 13.257 10.618 1.00 0.41 H new ATOM 0 HG3 LYS A 8 9.655 12.378 9.324 1.00 0.41 H new ATOM 0 HD2 LYS A 8 8.253 11.222 10.761 1.00 0.51 H new ATOM 0 HD3 LYS A 8 9.415 11.216 12.073 1.00 0.51 H new ATOM 0 HE2 LYS A 8 8.856 13.383 12.772 1.00 1.09 H new ATOM 0 HE3 LYS A 8 8.249 13.852 11.196 1.00 1.09 H new ATOM 0 HZ1 LYS A 8 6.621 13.325 13.136 1.00 1.32 H new ATOM 0 HZ2 LYS A 8 6.240 12.839 11.554 1.00 1.32 H new ATOM 0 HZ3 LYS A 8 6.858 11.711 12.664 1.00 1.32 H new ATOM 141 N ASP A 9 12.935 12.742 7.794 1.00 0.36 N ATOM 142 CA ASP A 9 14.113 13.532 7.449 1.00 0.39 C ATOM 143 C ASP A 9 14.669 14.242 8.679 1.00 0.42 C ATOM 144 O ASP A 9 14.085 14.181 9.761 1.00 0.43 O ATOM 145 CB ASP A 9 13.765 14.556 6.368 1.00 0.44 C ATOM 146 CG ASP A 9 14.832 14.648 5.294 1.00 0.48 C ATOM 147 OD1 ASP A 9 15.306 13.588 4.834 1.00 0.78 O ATOM 148 OD2 ASP A 9 15.194 15.782 4.913 1.00 0.59 O ATOM 0 H ASP A 9 12.070 13.062 7.359 1.00 0.36 H new ATOM 0 HA ASP A 9 14.877 12.855 7.066 1.00 0.39 H new ATOM 0 HB2 ASP A 9 12.814 14.287 5.909 1.00 0.44 H new ATOM 0 HB3 ASP A 9 13.631 15.535 6.828 1.00 0.44 H new ATOM 153 N ALA A 10 15.802 14.919 8.503 1.00 0.44 N ATOM 154 CA ALA A 10 16.436 15.645 9.598 1.00 0.48 C ATOM 155 C ALA A 10 15.488 16.689 10.176 1.00 0.51 C ATOM 156 O ALA A 10 15.618 17.091 11.332 1.00 0.54 O ATOM 157 CB ALA A 10 17.722 16.303 9.121 1.00 0.51 C ATOM 0 H ALA A 10 16.298 14.979 7.614 1.00 0.44 H new ATOM 0 HA ALA A 10 16.679 14.932 10.386 1.00 0.48 H new ATOM 0 HB1 ALA A 10 18.184 16.841 9.949 1.00 0.51 H new ATOM 0 HB2 ALA A 10 18.408 15.539 8.757 1.00 0.51 H new ATOM 0 HB3 ALA A 10 17.496 17.001 8.315 1.00 0.51 H new ATOM 163 N SER A 11 14.531 17.119 9.361 1.00 0.52 N ATOM 164 CA SER A 11 13.551 18.111 9.786 1.00 0.56 C ATOM 165 C SER A 11 12.299 17.432 10.328 1.00 0.50 C ATOM 166 O SER A 11 11.534 18.031 11.085 1.00 0.61 O ATOM 167 CB SER A 11 13.184 19.030 8.619 1.00 0.71 C ATOM 168 OG SER A 11 14.225 19.953 8.351 1.00 1.00 O ATOM 0 H SER A 11 14.413 16.795 8.401 1.00 0.52 H new ATOM 0 HA SER A 11 13.994 18.710 10.582 1.00 0.56 H new ATOM 0 HB2 SER A 11 12.986 18.432 7.729 1.00 0.71 H new ATOM 0 HB3 SER A 11 12.266 19.570 8.852 1.00 0.71 H new ATOM 0 HG SER A 11 13.967 20.528 7.600 1.00 1.00 H new ATOM 174 N GLY A 12 12.092 16.180 9.928 1.00 0.52 N ATOM 175 CA GLY A 12 10.929 15.441 10.374 1.00 0.47 C ATOM 176 C GLY A 12 9.909 15.236 9.269 1.00 0.53 C ATOM 177 O GLY A 12 8.735 14.982 9.537 1.00 0.59 O ATOM 0 H GLY A 12 12.712 15.666 9.302 1.00 0.52 H new ATOM 0 HA2 GLY A 12 11.245 14.470 10.757 1.00 0.47 H new ATOM 0 HA3 GLY A 12 10.460 15.973 11.202 1.00 0.47 H new ATOM 181 N ARG A 13 10.360 15.337 8.021 1.00 0.56 N ATOM 182 CA ARG A 13 9.484 15.148 6.870 1.00 0.64 C ATOM 183 C ARG A 13 9.334 13.662 6.553 1.00 0.56 C ATOM 184 O ARG A 13 10.297 12.901 6.647 1.00 0.52 O ATOM 185 CB ARG A 13 10.038 15.891 5.653 1.00 0.75 C ATOM 186 CG ARG A 13 10.669 17.232 5.989 1.00 0.87 C ATOM 187 CD ARG A 13 10.894 18.071 4.741 1.00 0.97 C ATOM 188 NE ARG A 13 12.300 18.109 4.354 1.00 1.24 N ATOM 189 CZ ARG A 13 13.076 19.182 4.490 1.00 1.60 C ATOM 190 NH1 ARG A 13 12.583 20.300 5.004 1.00 1.53 N ATOM 191 NH2 ARG A 13 14.346 19.135 4.113 1.00 2.38 N ATOM 0 H ARG A 13 11.329 15.549 7.782 1.00 0.56 H new ATOM 0 HA ARG A 13 8.502 15.555 7.113 1.00 0.64 H new ATOM 0 HB2 ARG A 13 10.782 15.263 5.163 1.00 0.75 H new ATOM 0 HB3 ARG A 13 9.232 16.049 4.937 1.00 0.75 H new ATOM 0 HG2 ARG A 13 10.026 17.774 6.682 1.00 0.87 H new ATOM 0 HG3 ARG A 13 11.620 17.071 6.496 1.00 0.87 H new ATOM 0 HD2 ARG A 13 10.303 17.665 3.920 1.00 0.97 H new ATOM 0 HD3 ARG A 13 10.539 19.086 4.918 1.00 0.97 H new ATOM 0 HE ARG A 13 12.712 17.265 3.956 1.00 1.24 H new ATOM 0 HH11 ARG A 13 11.607 20.340 5.297 1.00 1.53 H new ATOM 0 HH12 ARG A 13 13.180 21.121 5.107 1.00 1.53 H new ATOM 0 HH21 ARG A 13 14.729 18.276 3.718 1.00 2.38 H new ATOM 0 HH22 ARG A 13 14.940 19.958 4.218 1.00 2.38 H new ATOM 205 N ILE A 14 8.120 13.246 6.202 1.00 0.56 N ATOM 206 CA ILE A 14 7.858 11.841 5.904 1.00 0.50 C ATOM 207 C ILE A 14 8.283 11.466 4.487 1.00 0.44 C ATOM 208 O ILE A 14 7.794 12.019 3.502 1.00 0.48 O ATOM 209 CB ILE A 14 6.364 11.494 6.089 1.00 0.55 C ATOM 210 CG1 ILE A 14 5.816 12.139 7.366 1.00 0.68 C ATOM 211 CG2 ILE A 14 6.171 9.983 6.121 1.00 0.55 C ATOM 212 CD1 ILE A 14 6.543 11.718 8.627 1.00 1.13 C ATOM 0 H ILE A 14 7.307 13.857 6.117 1.00 0.56 H new ATOM 0 HA ILE A 14 8.454 11.265 6.612 1.00 0.50 H new ATOM 0 HB ILE A 14 5.807 11.893 5.241 1.00 0.55 H new ATOM 0 HG12 ILE A 14 5.876 13.223 7.268 1.00 0.68 H new ATOM 0 HG13 ILE A 14 4.760 11.886 7.465 1.00 0.68 H new ATOM 0 HG21 ILE A 14 5.113 9.754 6.252 1.00 0.55 H new ATOM 0 HG22 ILE A 14 6.522 9.551 5.184 1.00 0.55 H new ATOM 0 HG23 ILE A 14 6.739 9.561 6.950 1.00 0.55 H new ATOM 0 HD11 ILE A 14 6.097 12.217 9.488 1.00 1.13 H new ATOM 0 HD12 ILE A 14 6.461 10.638 8.751 1.00 1.13 H new ATOM 0 HD13 ILE A 14 7.594 11.996 8.551 1.00 1.13 H new ATOM 224 N TYR A 15 9.199 10.505 4.411 1.00 0.37 N ATOM 225 CA TYR A 15 9.709 10.018 3.132 1.00 0.32 C ATOM 226 C TYR A 15 9.878 8.501 3.151 1.00 0.26 C ATOM 227 O TYR A 15 10.210 7.916 4.183 1.00 0.24 O ATOM 228 CB TYR A 15 11.034 10.702 2.783 1.00 0.32 C ATOM 229 CG TYR A 15 12.212 10.238 3.613 1.00 0.28 C ATOM 230 CD1 TYR A 15 12.469 10.792 4.861 1.00 0.27 C ATOM 231 CD2 TYR A 15 13.070 9.252 3.144 1.00 0.29 C ATOM 232 CE1 TYR A 15 13.547 10.375 5.617 1.00 0.25 C ATOM 233 CE2 TYR A 15 14.151 8.830 3.895 1.00 0.27 C ATOM 234 CZ TYR A 15 14.384 9.395 5.132 1.00 0.24 C ATOM 235 OH TYR A 15 15.459 8.979 5.883 1.00 0.25 O ATOM 0 H TYR A 15 9.606 10.045 5.226 1.00 0.37 H new ATOM 0 HA TYR A 15 8.978 10.267 2.362 1.00 0.32 H new ATOM 0 HB2 TYR A 15 11.254 10.526 1.730 1.00 0.32 H new ATOM 0 HB3 TYR A 15 10.918 11.779 2.908 1.00 0.32 H new ATOM 0 HD1 TYR A 15 11.815 11.561 5.246 1.00 0.27 H new ATOM 0 HD2 TYR A 15 12.890 8.807 2.176 1.00 0.29 H new ATOM 0 HE1 TYR A 15 13.733 10.816 6.585 1.00 0.25 H new ATOM 0 HE2 TYR A 15 14.809 8.062 3.516 1.00 0.27 H new ATOM 0 HH TYR A 15 15.947 8.282 5.397 1.00 0.25 H new ATOM 245 N TYR A 16 9.649 7.870 2.003 1.00 0.25 N ATOM 246 CA TYR A 16 9.778 6.423 1.883 1.00 0.23 C ATOM 247 C TYR A 16 11.196 6.046 1.483 1.00 0.21 C ATOM 248 O TYR A 16 11.727 6.551 0.494 1.00 0.22 O ATOM 249 CB TYR A 16 8.770 5.886 0.863 1.00 0.27 C ATOM 250 CG TYR A 16 7.327 6.138 1.248 1.00 0.25 C ATOM 251 CD1 TYR A 16 6.976 6.437 2.560 1.00 0.40 C ATOM 252 CD2 TYR A 16 6.314 6.082 0.298 1.00 0.21 C ATOM 253 CE1 TYR A 16 5.659 6.671 2.911 1.00 0.40 C ATOM 254 CE2 TYR A 16 4.998 6.316 0.640 1.00 0.27 C ATOM 255 CZ TYR A 16 4.677 6.595 1.968 1.00 0.30 C ATOM 256 OH TYR A 16 3.363 6.844 2.293 1.00 0.35 O ATOM 0 H TYR A 16 9.373 8.340 1.141 1.00 0.25 H new ATOM 0 HA TYR A 16 9.566 5.972 2.852 1.00 0.23 H new ATOM 0 HB2 TYR A 16 8.965 6.347 -0.105 1.00 0.27 H new ATOM 0 HB3 TYR A 16 8.923 4.814 0.743 1.00 0.27 H new ATOM 0 HD1 TYR A 16 7.744 6.487 3.317 1.00 0.40 H new ATOM 0 HD2 TYR A 16 6.562 5.851 -0.727 1.00 0.21 H new ATOM 0 HE1 TYR A 16 5.408 6.914 3.933 1.00 0.40 H new ATOM 0 HE2 TYR A 16 4.225 6.283 -0.113 1.00 0.27 H new ATOM 0 HH TYR A 16 2.804 6.744 1.494 1.00 0.35 H new ATOM 266 N TYR A 17 11.817 5.174 2.271 1.00 0.21 N ATOM 267 CA TYR A 17 13.184 4.755 2.009 1.00 0.21 C ATOM 268 C TYR A 17 13.265 3.266 1.681 1.00 0.22 C ATOM 269 O TYR A 17 12.858 2.417 2.472 1.00 0.26 O ATOM 270 CB TYR A 17 14.061 5.094 3.222 1.00 0.24 C ATOM 271 CG TYR A 17 15.260 4.188 3.421 1.00 0.23 C ATOM 272 CD1 TYR A 17 16.280 4.141 2.477 1.00 0.27 C ATOM 273 CD2 TYR A 17 15.367 3.371 4.540 1.00 0.34 C ATOM 274 CE1 TYR A 17 17.369 3.308 2.643 1.00 0.35 C ATOM 275 CE2 TYR A 17 16.455 2.537 4.715 1.00 0.42 C ATOM 276 CZ TYR A 17 17.467 2.538 3.811 1.00 0.41 C ATOM 277 OH TYR A 17 18.536 1.676 3.932 1.00 0.54 O ATOM 0 H TYR A 17 11.394 4.746 3.094 1.00 0.21 H new ATOM 0 HA TYR A 17 13.549 5.294 1.135 1.00 0.21 H new ATOM 0 HB2 TYR A 17 14.413 6.120 3.121 1.00 0.24 H new ATOM 0 HB3 TYR A 17 13.443 5.056 4.119 1.00 0.24 H new ATOM 0 HD1 TYR A 17 16.220 4.767 1.599 1.00 0.27 H new ATOM 0 HD2 TYR A 17 14.586 3.388 5.286 1.00 0.34 H new ATOM 0 HE1 TYR A 17 18.135 3.250 1.884 1.00 0.35 H new ATOM 0 HE2 TYR A 17 16.500 1.883 5.573 1.00 0.42 H new ATOM 0 HH TYR A 17 18.481 1.205 4.790 1.00 0.54 H new ATOM 287 N ASN A 18 13.827 2.971 0.514 1.00 0.22 N ATOM 288 CA ASN A 18 14.013 1.597 0.066 1.00 0.28 C ATOM 289 C ASN A 18 15.314 1.056 0.644 1.00 0.29 C ATOM 290 O ASN A 18 16.394 1.553 0.317 1.00 0.32 O ATOM 291 CB ASN A 18 14.058 1.540 -1.462 1.00 0.35 C ATOM 292 CG ASN A 18 13.179 0.445 -2.027 1.00 0.56 C ATOM 293 OD1 ASN A 18 12.287 -0.063 -1.348 1.00 0.96 O ATOM 294 ND2 ASN A 18 13.424 0.073 -3.278 1.00 0.50 N ATOM 0 H ASN A 18 14.164 3.673 -0.144 1.00 0.22 H new ATOM 0 HA ASN A 18 13.177 0.988 0.411 1.00 0.28 H new ATOM 0 HB2 ASN A 18 13.742 2.501 -1.868 1.00 0.35 H new ATOM 0 HB3 ASN A 18 15.086 1.380 -1.786 1.00 0.35 H new ATOM 0 HD21 ASN A 18 12.863 -0.660 -3.711 1.00 0.50 H new ATOM 0 HD22 ASN A 18 14.174 0.520 -3.806 1.00 0.50 H new ATOM 301 N THR A 19 15.217 0.051 1.506 1.00 0.39 N ATOM 302 CA THR A 19 16.400 -0.535 2.133 1.00 0.42 C ATOM 303 C THR A 19 16.900 -1.746 1.352 1.00 0.42 C ATOM 304 O THR A 19 18.033 -2.189 1.538 1.00 0.38 O ATOM 305 CB THR A 19 16.127 -0.953 3.594 1.00 0.58 C ATOM 306 OG1 THR A 19 16.112 -2.381 3.702 1.00 0.75 O ATOM 307 CG2 THR A 19 14.802 -0.390 4.092 1.00 0.50 C ATOM 0 H THR A 19 14.334 -0.376 1.788 1.00 0.39 H new ATOM 0 HA THR A 19 17.168 0.239 2.127 1.00 0.42 H new ATOM 0 HB THR A 19 16.927 -0.547 4.213 1.00 0.58 H new ATOM 0 HG1 THR A 19 15.940 -2.637 4.632 1.00 0.75 H new ATOM 0 HG21 THR A 19 14.639 -0.702 5.124 1.00 0.50 H new ATOM 0 HG22 THR A 19 14.827 0.699 4.042 1.00 0.50 H new ATOM 0 HG23 THR A 19 13.990 -0.763 3.467 1.00 0.50 H new ATOM 315 N LEU A 20 16.057 -2.262 0.465 1.00 0.50 N ATOM 316 CA LEU A 20 16.423 -3.404 -0.364 1.00 0.56 C ATOM 317 C LEU A 20 17.325 -2.934 -1.486 1.00 0.57 C ATOM 318 O LEU A 20 18.142 -3.679 -2.026 1.00 0.70 O ATOM 319 CB LEU A 20 15.172 -4.044 -0.958 1.00 0.69 C ATOM 320 CG LEU A 20 14.169 -4.637 0.043 1.00 0.80 C ATOM 321 CD1 LEU A 20 13.518 -5.889 -0.522 1.00 1.26 C ATOM 322 CD2 LEU A 20 14.827 -4.946 1.382 1.00 0.98 C ATOM 0 H LEU A 20 15.115 -1.907 0.301 1.00 0.50 H new ATOM 0 HA LEU A 20 16.942 -4.140 0.249 1.00 0.56 H new ATOM 0 HB2 LEU A 20 14.655 -3.294 -1.556 1.00 0.69 H new ATOM 0 HB3 LEU A 20 15.484 -4.836 -1.640 1.00 0.69 H new ATOM 0 HG LEU A 20 13.398 -3.885 0.213 1.00 0.80 H new ATOM 0 HD11 LEU A 20 12.812 -6.291 0.204 1.00 1.26 H new ATOM 0 HD12 LEU A 20 12.990 -5.641 -1.443 1.00 1.26 H new ATOM 0 HD13 LEU A 20 14.285 -6.634 -0.733 1.00 1.26 H new ATOM 0 HD21 LEU A 20 14.086 -5.364 2.064 1.00 0.98 H new ATOM 0 HD22 LEU A 20 15.631 -5.667 1.234 1.00 0.98 H new ATOM 0 HD23 LEU A 20 15.235 -4.029 1.807 1.00 0.98 H new ATOM 334 N THR A 21 17.152 -1.668 -1.806 1.00 0.52 N ATOM 335 CA THR A 21 17.915 -1.002 -2.844 1.00 0.60 C ATOM 336 C THR A 21 18.773 0.108 -2.237 1.00 0.52 C ATOM 337 O THR A 21 19.611 0.708 -2.910 1.00 0.59 O ATOM 338 CB THR A 21 16.978 -0.420 -3.916 1.00 0.74 C ATOM 339 OG1 THR A 21 16.191 0.628 -3.350 1.00 0.73 O ATOM 340 CG2 THR A 21 16.060 -1.502 -4.462 1.00 0.84 C ATOM 0 H THR A 21 16.469 -1.064 -1.347 1.00 0.52 H new ATOM 0 HA THR A 21 18.568 -1.736 -3.317 1.00 0.60 H new ATOM 0 HB THR A 21 17.584 -0.025 -4.731 1.00 0.74 H new ATOM 0 HG1 THR A 21 15.817 1.181 -4.068 1.00 0.73 H new ATOM 0 HG21 THR A 21 15.403 -1.074 -5.219 1.00 0.84 H new ATOM 0 HG22 THR A 21 16.659 -2.296 -4.908 1.00 0.84 H new ATOM 0 HG23 THR A 21 15.459 -1.913 -3.651 1.00 0.84 H new ATOM 348 N LYS A 22 18.556 0.350 -0.943 1.00 0.43 N ATOM 349 CA LYS A 22 19.300 1.358 -0.186 1.00 0.43 C ATOM 350 C LYS A 22 19.105 2.773 -0.735 1.00 0.46 C ATOM 351 O LYS A 22 19.917 3.658 -0.467 1.00 0.66 O ATOM 352 CB LYS A 22 20.792 1.015 -0.167 1.00 0.50 C ATOM 353 CG LYS A 22 21.117 -0.252 0.609 1.00 0.58 C ATOM 354 CD LYS A 22 21.459 -1.400 -0.324 1.00 1.11 C ATOM 355 CE LYS A 22 22.944 -1.436 -0.641 1.00 1.51 C ATOM 356 NZ LYS A 22 23.228 -0.977 -2.030 1.00 2.45 N ATOM 0 H LYS A 22 17.859 -0.148 -0.390 1.00 0.43 H new ATOM 0 HA LYS A 22 18.902 1.344 0.829 1.00 0.43 H new ATOM 0 HB2 LYS A 22 21.143 0.903 -1.193 1.00 0.50 H new ATOM 0 HB3 LYS A 22 21.342 1.849 0.269 1.00 0.50 H new ATOM 0 HG2 LYS A 22 21.955 -0.065 1.280 1.00 0.58 H new ATOM 0 HG3 LYS A 22 20.266 -0.528 1.231 1.00 0.58 H new ATOM 0 HD2 LYS A 22 21.161 -2.343 0.133 1.00 1.11 H new ATOM 0 HD3 LYS A 22 20.891 -1.300 -1.249 1.00 1.11 H new ATOM 0 HE2 LYS A 22 23.481 -0.805 0.067 1.00 1.51 H new ATOM 0 HE3 LYS A 22 23.318 -2.451 -0.511 1.00 1.51 H new ATOM 0 HZ1 LYS A 22 24.252 -1.017 -2.206 1.00 2.45 H new ATOM 0 HZ2 LYS A 22 22.736 -1.594 -2.707 1.00 2.45 H new ATOM 0 HZ3 LYS A 22 22.894 0.001 -2.148 1.00 2.45 H new ATOM 370 N LYS A 23 18.035 2.992 -1.494 1.00 0.42 N ATOM 371 CA LYS A 23 17.769 4.320 -2.054 1.00 0.47 C ATOM 372 C LYS A 23 16.618 4.997 -1.319 1.00 0.35 C ATOM 373 O LYS A 23 15.935 4.366 -0.518 1.00 0.30 O ATOM 374 CB LYS A 23 17.467 4.231 -3.551 1.00 0.61 C ATOM 375 CG LYS A 23 16.223 3.426 -3.879 1.00 0.96 C ATOM 376 CD LYS A 23 15.590 3.884 -5.182 1.00 1.25 C ATOM 377 CE LYS A 23 16.143 3.117 -6.373 1.00 1.69 C ATOM 378 NZ LYS A 23 16.727 4.027 -7.397 1.00 2.27 N ATOM 0 H LYS A 23 17.345 2.281 -1.735 1.00 0.42 H new ATOM 0 HA LYS A 23 18.666 4.925 -1.921 1.00 0.47 H new ATOM 0 HB2 LYS A 23 17.351 5.239 -3.949 1.00 0.61 H new ATOM 0 HB3 LYS A 23 18.322 3.784 -4.058 1.00 0.61 H new ATOM 0 HG2 LYS A 23 16.481 2.369 -3.950 1.00 0.96 H new ATOM 0 HG3 LYS A 23 15.501 3.524 -3.068 1.00 0.96 H new ATOM 0 HD2 LYS A 23 14.510 3.747 -5.130 1.00 1.25 H new ATOM 0 HD3 LYS A 23 15.770 4.950 -5.320 1.00 1.25 H new ATOM 0 HE2 LYS A 23 16.906 2.417 -6.032 1.00 1.69 H new ATOM 0 HE3 LYS A 23 15.347 2.525 -6.825 1.00 1.69 H new ATOM 0 HZ1 LYS A 23 17.093 3.465 -8.192 1.00 2.27 H new ATOM 0 HZ2 LYS A 23 15.993 4.678 -7.742 1.00 2.27 H new ATOM 0 HZ3 LYS A 23 17.504 4.574 -6.973 1.00 2.27 H new ATOM 392 N SER A 24 16.417 6.288 -1.577 1.00 0.36 N ATOM 393 CA SER A 24 15.354 7.038 -0.910 1.00 0.31 C ATOM 394 C SER A 24 14.389 7.684 -1.905 1.00 0.31 C ATOM 395 O SER A 24 14.722 7.895 -3.071 1.00 0.33 O ATOM 396 CB SER A 24 15.955 8.115 -0.006 1.00 0.42 C ATOM 397 OG SER A 24 16.546 7.542 1.147 1.00 1.22 O ATOM 0 H SER A 24 16.971 6.833 -2.238 1.00 0.36 H new ATOM 0 HA SER A 24 14.786 6.326 -0.311 1.00 0.31 H new ATOM 0 HB2 SER A 24 16.704 8.682 -0.559 1.00 0.42 H new ATOM 0 HB3 SER A 24 15.178 8.819 0.292 1.00 0.42 H new ATOM 0 HG SER A 24 16.924 8.251 1.708 1.00 1.22 H new ATOM 403 N THR A 25 13.192 8.001 -1.415 1.00 0.30 N ATOM 404 CA THR A 25 12.158 8.636 -2.229 1.00 0.30 C ATOM 405 C THR A 25 11.141 9.362 -1.350 1.00 0.31 C ATOM 406 O THR A 25 11.137 9.200 -0.128 1.00 0.30 O ATOM 407 CB THR A 25 11.429 7.610 -3.123 1.00 0.30 C ATOM 408 OG1 THR A 25 10.873 8.267 -4.268 1.00 0.35 O ATOM 409 CG2 THR A 25 10.321 6.901 -2.357 1.00 0.25 C ATOM 0 H THR A 25 12.913 7.826 -0.450 1.00 0.30 H new ATOM 0 HA THR A 25 12.658 9.361 -2.872 1.00 0.30 H new ATOM 0 HB THR A 25 12.158 6.866 -3.443 1.00 0.30 H new ATOM 0 HG1 THR A 25 10.414 7.610 -4.831 1.00 0.35 H new ATOM 0 HG21 THR A 25 9.826 6.185 -3.013 1.00 0.25 H new ATOM 0 HG22 THR A 25 10.748 6.376 -1.503 1.00 0.25 H new ATOM 0 HG23 THR A 25 9.595 7.634 -2.006 1.00 0.25 H new ATOM 417 N TRP A 26 10.274 10.156 -1.974 1.00 0.35 N ATOM 418 CA TRP A 26 9.255 10.900 -1.241 1.00 0.39 C ATOM 419 C TRP A 26 7.861 10.588 -1.778 1.00 0.43 C ATOM 420 O TRP A 26 6.859 10.811 -1.100 1.00 0.65 O ATOM 421 CB TRP A 26 9.516 12.404 -1.343 1.00 0.45 C ATOM 422 CG TRP A 26 10.856 12.819 -0.816 1.00 0.47 C ATOM 423 CD1 TRP A 26 12.069 12.609 -1.407 1.00 0.46 C ATOM 424 CD2 TRP A 26 11.118 13.517 0.405 1.00 0.53 C ATOM 425 NE1 TRP A 26 13.071 13.133 -0.624 1.00 0.52 N ATOM 426 CE2 TRP A 26 12.511 13.696 0.493 1.00 0.56 C ATOM 427 CE3 TRP A 26 10.309 14.008 1.434 1.00 0.59 C ATOM 428 CZ2 TRP A 26 13.111 14.345 1.568 1.00 0.64 C ATOM 429 CZ3 TRP A 26 10.906 14.653 2.500 1.00 0.67 C ATOM 430 CH2 TRP A 26 12.297 14.817 2.561 1.00 0.69 C ATOM 0 H TRP A 26 10.257 10.300 -2.984 1.00 0.35 H new ATOM 0 HA TRP A 26 9.306 10.595 -0.196 1.00 0.39 H new ATOM 0 HB2 TRP A 26 9.436 12.708 -2.387 1.00 0.45 H new ATOM 0 HB3 TRP A 26 8.739 12.937 -0.795 1.00 0.45 H new ATOM 0 HD1 TRP A 26 12.219 12.105 -2.351 1.00 0.46 H new ATOM 0 HE1 TRP A 26 14.068 13.107 -0.839 1.00 0.52 H new ATOM 0 HE3 TRP A 26 9.237 13.885 1.396 1.00 0.59 H new ATOM 0 HZ2 TRP A 26 14.182 14.472 1.617 1.00 0.64 H new ATOM 0 HZ3 TRP A 26 10.291 15.037 3.300 1.00 0.67 H new ATOM 0 HH2 TRP A 26 12.734 15.325 3.408 1.00 0.69 H new ATOM 441 N GLU A 27 7.809 10.076 -3.003 1.00 0.32 N ATOM 442 CA GLU A 27 6.541 9.739 -3.637 1.00 0.32 C ATOM 443 C GLU A 27 6.305 8.235 -3.615 1.00 0.27 C ATOM 444 O GLU A 27 7.183 7.452 -3.977 1.00 0.23 O ATOM 445 CB GLU A 27 6.517 10.252 -5.079 1.00 0.35 C ATOM 446 CG GLU A 27 7.612 9.660 -5.953 1.00 1.24 C ATOM 447 CD GLU A 27 7.510 10.107 -7.398 1.00 1.66 C ATOM 448 OE1 GLU A 27 7.532 11.331 -7.643 1.00 2.09 O ATOM 449 OE2 GLU A 27 7.410 9.233 -8.284 1.00 2.07 O ATOM 0 H GLU A 27 8.631 9.885 -3.576 1.00 0.32 H new ATOM 0 HA GLU A 27 5.741 10.221 -3.074 1.00 0.32 H new ATOM 0 HB2 GLU A 27 5.547 10.024 -5.521 1.00 0.35 H new ATOM 0 HB3 GLU A 27 6.616 11.337 -5.072 1.00 0.35 H new ATOM 0 HG2 GLU A 27 8.585 9.948 -5.555 1.00 1.24 H new ATOM 0 HG3 GLU A 27 7.559 8.572 -5.908 1.00 1.24 H new ATOM 456 N LYS A 28 5.115 7.838 -3.182 1.00 0.29 N ATOM 457 CA LYS A 28 4.755 6.428 -3.104 1.00 0.26 C ATOM 458 C LYS A 28 4.850 5.754 -4.470 1.00 0.23 C ATOM 459 O LYS A 28 4.070 6.053 -5.370 1.00 0.24 O ATOM 460 CB LYS A 28 3.337 6.282 -2.554 1.00 0.32 C ATOM 461 CG LYS A 28 3.071 4.935 -1.901 1.00 0.31 C ATOM 462 CD LYS A 28 1.584 4.708 -1.683 1.00 0.43 C ATOM 463 CE LYS A 28 1.278 4.365 -0.236 1.00 0.44 C ATOM 464 NZ LYS A 28 0.330 5.338 0.376 1.00 0.90 N ATOM 0 H LYS A 28 4.380 8.476 -2.878 1.00 0.29 H new ATOM 0 HA LYS A 28 5.460 5.937 -2.433 1.00 0.26 H new ATOM 0 HB2 LYS A 28 3.157 7.072 -1.824 1.00 0.32 H new ATOM 0 HB3 LYS A 28 2.625 6.429 -3.366 1.00 0.32 H new ATOM 0 HG2 LYS A 28 3.474 4.139 -2.528 1.00 0.31 H new ATOM 0 HG3 LYS A 28 3.592 4.883 -0.945 1.00 0.31 H new ATOM 0 HD2 LYS A 28 1.033 5.603 -1.970 1.00 0.43 H new ATOM 0 HD3 LYS A 28 1.240 3.901 -2.330 1.00 0.43 H new ATOM 0 HE2 LYS A 28 0.854 3.362 -0.182 1.00 0.44 H new ATOM 0 HE3 LYS A 28 2.205 4.351 0.338 1.00 0.44 H new ATOM 0 HZ1 LYS A 28 0.146 5.069 1.364 1.00 0.90 H new ATOM 0 HZ2 LYS A 28 0.745 6.291 0.348 1.00 0.90 H new ATOM 0 HZ3 LYS A 28 -0.564 5.333 -0.156 1.00 0.90 H new ATOM 478 N PRO A 29 5.804 4.821 -4.640 1.00 0.25 N ATOM 479 CA PRO A 29 5.975 4.090 -5.901 1.00 0.25 C ATOM 480 C PRO A 29 4.735 3.263 -6.210 1.00 0.25 C ATOM 481 O PRO A 29 4.112 2.732 -5.298 1.00 0.24 O ATOM 482 CB PRO A 29 7.169 3.166 -5.627 1.00 0.27 C ATOM 483 CG PRO A 29 7.857 3.759 -4.447 1.00 0.54 C ATOM 484 CD PRO A 29 6.777 4.393 -3.622 1.00 0.33 C ATOM 0 HA PRO A 29 6.131 4.751 -6.753 1.00 0.25 H new ATOM 0 HB2 PRO A 29 6.840 2.148 -5.421 1.00 0.27 H new ATOM 0 HB3 PRO A 29 7.835 3.117 -6.488 1.00 0.27 H new ATOM 0 HG2 PRO A 29 8.386 2.995 -3.878 1.00 0.54 H new ATOM 0 HG3 PRO A 29 8.598 4.497 -4.756 1.00 0.54 H new ATOM 0 HD2 PRO A 29 6.340 3.688 -2.915 1.00 0.33 H new ATOM 0 HD3 PRO A 29 7.153 5.235 -3.041 1.00 0.33 H new ATOM 492 N LYS A 30 4.336 3.203 -7.478 1.00 0.29 N ATOM 493 CA LYS A 30 3.127 2.482 -7.862 1.00 0.31 C ATOM 494 C LYS A 30 3.015 1.094 -7.226 1.00 0.27 C ATOM 495 O LYS A 30 1.917 0.683 -6.864 1.00 0.25 O ATOM 496 CB LYS A 30 3.041 2.373 -9.386 1.00 0.40 C ATOM 497 CG LYS A 30 3.922 1.288 -9.980 1.00 0.91 C ATOM 498 CD LYS A 30 5.310 1.809 -10.288 1.00 1.38 C ATOM 499 CE LYS A 30 5.972 1.016 -11.403 1.00 2.15 C ATOM 500 NZ LYS A 30 7.452 1.165 -11.384 1.00 2.96 N ATOM 0 H LYS A 30 4.830 3.643 -8.254 1.00 0.29 H new ATOM 0 HA LYS A 30 2.287 3.063 -7.481 1.00 0.31 H new ATOM 0 HB2 LYS A 30 2.006 2.181 -9.668 1.00 0.40 H new ATOM 0 HB3 LYS A 30 3.318 3.332 -9.824 1.00 0.40 H new ATOM 0 HG2 LYS A 30 3.992 0.452 -9.284 1.00 0.91 H new ATOM 0 HG3 LYS A 30 3.465 0.905 -10.892 1.00 0.91 H new ATOM 0 HD2 LYS A 30 5.250 2.859 -10.574 1.00 1.38 H new ATOM 0 HD3 LYS A 30 5.926 1.758 -9.390 1.00 1.38 H new ATOM 0 HE2 LYS A 30 5.712 -0.038 -11.304 1.00 2.15 H new ATOM 0 HE3 LYS A 30 5.585 1.350 -12.366 1.00 2.15 H new ATOM 0 HZ1 LYS A 30 7.867 0.610 -12.159 1.00 2.96 H new ATOM 0 HZ2 LYS A 30 7.702 2.167 -11.504 1.00 2.96 H new ATOM 0 HZ3 LYS A 30 7.824 0.822 -10.475 1.00 2.96 H new ATOM 514 N GLU A 31 4.123 0.365 -7.082 1.00 0.27 N ATOM 515 CA GLU A 31 4.075 -0.970 -6.479 1.00 0.27 C ATOM 516 C GLU A 31 3.618 -0.894 -5.024 1.00 0.23 C ATOM 517 O GLU A 31 3.087 -1.856 -4.470 1.00 0.26 O ATOM 518 CB GLU A 31 5.456 -1.623 -6.559 1.00 0.34 C ATOM 519 CG GLU A 31 5.572 -2.909 -5.762 1.00 1.06 C ATOM 520 CD GLU A 31 5.223 -4.138 -6.579 1.00 1.66 C ATOM 521 OE1 GLU A 31 5.985 -4.469 -7.511 1.00 1.54 O ATOM 522 OE2 GLU A 31 4.185 -4.768 -6.288 1.00 2.45 O ATOM 0 H GLU A 31 5.053 0.670 -7.370 1.00 0.27 H new ATOM 0 HA GLU A 31 3.355 -1.574 -7.032 1.00 0.27 H new ATOM 0 HB2 GLU A 31 5.689 -1.831 -7.603 1.00 0.34 H new ATOM 0 HB3 GLU A 31 6.204 -0.915 -6.200 1.00 0.34 H new ATOM 0 HG2 GLU A 31 6.590 -3.006 -5.384 1.00 1.06 H new ATOM 0 HG3 GLU A 31 4.913 -2.855 -4.895 1.00 1.06 H new ATOM 529 N LEU A 32 3.816 0.271 -4.431 1.00 0.22 N ATOM 530 CA LEU A 32 3.421 0.527 -3.051 1.00 0.24 C ATOM 531 C LEU A 32 1.965 0.982 -3.004 1.00 0.25 C ATOM 532 O LEU A 32 1.298 0.898 -1.973 1.00 0.39 O ATOM 533 CB LEU A 32 4.344 1.598 -2.449 1.00 0.36 C ATOM 534 CG LEU A 32 5.006 1.263 -1.102 1.00 0.49 C ATOM 535 CD1 LEU A 32 4.320 2.016 0.023 1.00 0.37 C ATOM 536 CD2 LEU A 32 5.001 -0.235 -0.823 1.00 1.19 C ATOM 0 H LEU A 32 4.255 1.069 -4.891 1.00 0.22 H new ATOM 0 HA LEU A 32 3.513 -0.388 -2.466 1.00 0.24 H new ATOM 0 HB2 LEU A 32 5.132 1.813 -3.171 1.00 0.36 H new ATOM 0 HB3 LEU A 32 3.767 2.514 -2.326 1.00 0.36 H new ATOM 0 HG LEU A 32 6.048 1.579 -1.159 1.00 0.49 H new ATOM 0 HD11 LEU A 32 4.799 1.769 0.971 1.00 0.37 H new ATOM 0 HD12 LEU A 32 4.399 3.088 -0.156 1.00 0.37 H new ATOM 0 HD13 LEU A 32 3.268 1.732 0.063 1.00 0.37 H new ATOM 0 HD21 LEU A 32 5.478 -0.428 0.138 1.00 1.19 H new ATOM 0 HD22 LEU A 32 3.973 -0.597 -0.797 1.00 1.19 H new ATOM 0 HD23 LEU A 32 5.548 -0.754 -1.610 1.00 1.19 H new ATOM 548 N ILE A 33 1.492 1.460 -4.150 1.00 0.26 N ATOM 549 CA ILE A 33 0.119 1.936 -4.293 1.00 0.28 C ATOM 550 C ILE A 33 -0.796 0.840 -4.838 1.00 0.27 C ATOM 551 O ILE A 33 -2.013 0.887 -4.661 1.00 0.32 O ATOM 552 CB ILE A 33 0.041 3.141 -5.249 1.00 0.30 C ATOM 553 CG1 ILE A 33 1.054 4.219 -4.867 1.00 0.30 C ATOM 554 CG2 ILE A 33 -1.366 3.720 -5.258 1.00 0.31 C ATOM 555 CD1 ILE A 33 1.560 4.998 -6.059 1.00 0.36 C ATOM 0 H ILE A 33 2.046 1.529 -5.003 1.00 0.26 H new ATOM 0 HA ILE A 33 -0.211 2.231 -3.297 1.00 0.28 H new ATOM 0 HB ILE A 33 0.286 2.789 -6.251 1.00 0.30 H new ATOM 0 HG12 ILE A 33 0.595 4.907 -4.158 1.00 0.30 H new ATOM 0 HG13 ILE A 33 1.898 3.754 -4.358 1.00 0.30 H new ATOM 0 HG21 ILE A 33 -1.405 4.571 -5.938 1.00 0.31 H new ATOM 0 HG22 ILE A 33 -2.071 2.958 -5.590 1.00 0.31 H new ATOM 0 HG23 ILE A 33 -1.631 4.047 -4.253 1.00 0.31 H new ATOM 0 HD11 ILE A 33 2.276 5.749 -5.725 1.00 0.36 H new ATOM 0 HD12 ILE A 33 2.047 4.318 -6.758 1.00 0.36 H new ATOM 0 HD13 ILE A 33 0.723 5.490 -6.554 1.00 0.36 H new ATOM 567 N SER A 34 -0.202 -0.122 -5.531 1.00 0.24 N ATOM 568 CA SER A 34 -0.955 -1.208 -6.143 1.00 0.25 C ATOM 569 C SER A 34 -1.218 -2.360 -5.192 1.00 0.25 C ATOM 570 O SER A 34 -2.061 -3.199 -5.476 1.00 0.26 O ATOM 571 CB SER A 34 -0.267 -1.722 -7.401 1.00 0.25 C ATOM 572 OG SER A 34 1.132 -1.840 -7.213 1.00 0.26 O ATOM 0 H SER A 34 0.805 -0.172 -5.684 1.00 0.24 H new ATOM 0 HA SER A 34 -1.921 -0.781 -6.412 1.00 0.25 H new ATOM 0 HB2 SER A 34 -0.682 -2.692 -7.674 1.00 0.25 H new ATOM 0 HB3 SER A 34 -0.468 -1.044 -8.231 1.00 0.25 H new ATOM 0 HG SER A 34 1.555 -0.966 -7.346 1.00 0.26 H new ATOM 578 N GLN A 35 -0.486 -2.428 -4.091 1.00 0.23 N ATOM 579 CA GLN A 35 -0.675 -3.510 -3.128 1.00 0.23 C ATOM 580 C GLN A 35 -1.890 -3.231 -2.246 1.00 0.23 C ATOM 581 O GLN A 35 -2.816 -4.039 -2.172 1.00 0.24 O ATOM 582 CB GLN A 35 0.576 -3.673 -2.259 1.00 0.23 C ATOM 583 CG GLN A 35 0.397 -4.646 -1.104 1.00 0.28 C ATOM 584 CD GLN A 35 1.121 -5.959 -1.329 1.00 0.36 C ATOM 585 OE1 GLN A 35 2.350 -6.008 -1.350 1.00 0.56 O ATOM 586 NE2 GLN A 35 0.358 -7.034 -1.497 1.00 0.65 N ATOM 0 H GLN A 35 0.239 -1.755 -3.840 1.00 0.23 H new ATOM 0 HA GLN A 35 -0.845 -4.435 -3.678 1.00 0.23 H new ATOM 0 HB2 GLN A 35 1.400 -4.014 -2.885 1.00 0.23 H new ATOM 0 HB3 GLN A 35 0.860 -2.699 -1.861 1.00 0.23 H new ATOM 0 HG2 GLN A 35 0.764 -4.186 -0.186 1.00 0.28 H new ATOM 0 HG3 GLN A 35 -0.666 -4.841 -0.960 1.00 0.28 H new ATOM 0 HE21 GLN A 35 -0.658 -6.947 -1.472 1.00 0.65 H new ATOM 0 HE22 GLN A 35 0.788 -7.946 -1.651 1.00 0.65 H new ATOM 595 N GLU A 36 -1.866 -2.085 -1.572 1.00 0.23 N ATOM 596 CA GLU A 36 -2.959 -1.691 -0.683 1.00 0.24 C ATOM 597 C GLU A 36 -4.297 -1.774 -1.407 1.00 0.23 C ATOM 598 O GLU A 36 -5.312 -2.159 -0.825 1.00 0.24 O ATOM 599 CB GLU A 36 -2.739 -0.275 -0.156 1.00 0.26 C ATOM 600 CG GLU A 36 -2.229 0.681 -1.214 1.00 1.04 C ATOM 601 CD GLU A 36 -3.226 1.775 -1.547 1.00 1.71 C ATOM 602 OE1 GLU A 36 -3.424 2.675 -0.704 1.00 2.41 O ATOM 603 OE2 GLU A 36 -3.808 1.730 -2.652 1.00 2.12 O ATOM 0 H GLU A 36 -1.102 -1.411 -1.623 1.00 0.23 H new ATOM 0 HA GLU A 36 -2.974 -2.381 0.161 1.00 0.24 H new ATOM 0 HB2 GLU A 36 -3.677 0.106 0.247 1.00 0.26 H new ATOM 0 HB3 GLU A 36 -2.027 -0.307 0.669 1.00 0.26 H new ATOM 0 HG2 GLU A 36 -1.300 1.135 -0.870 1.00 1.04 H new ATOM 0 HG3 GLU A 36 -1.994 0.122 -2.120 1.00 1.04 H new ATOM 610 N GLU A 37 -4.282 -1.412 -2.682 1.00 0.23 N ATOM 611 CA GLU A 37 -5.479 -1.442 -3.511 1.00 0.25 C ATOM 612 C GLU A 37 -5.970 -2.875 -3.704 1.00 0.24 C ATOM 613 O GLU A 37 -7.166 -3.125 -3.865 1.00 0.26 O ATOM 614 CB GLU A 37 -5.167 -0.810 -4.873 1.00 0.26 C ATOM 615 CG GLU A 37 -5.811 0.545 -5.080 1.00 0.31 C ATOM 616 CD GLU A 37 -7.257 0.445 -5.526 1.00 0.33 C ATOM 617 OE1 GLU A 37 -8.032 -0.282 -4.869 1.00 0.80 O ATOM 618 OE2 GLU A 37 -7.612 1.092 -6.533 1.00 0.99 O ATOM 0 H GLU A 37 -3.445 -1.091 -3.169 1.00 0.23 H new ATOM 0 HA GLU A 37 -6.266 -0.876 -3.013 1.00 0.25 H new ATOM 0 HB2 GLU A 37 -4.087 -0.708 -4.977 1.00 0.26 H new ATOM 0 HB3 GLU A 37 -5.501 -1.485 -5.661 1.00 0.26 H new ATOM 0 HG2 GLU A 37 -5.760 1.112 -4.151 1.00 0.31 H new ATOM 0 HG3 GLU A 37 -5.243 1.102 -5.825 1.00 0.31 H new ATOM 625 N LEU A 38 -5.022 -3.801 -3.714 1.00 0.24 N ATOM 626 CA LEU A 38 -5.306 -5.213 -3.920 1.00 0.26 C ATOM 627 C LEU A 38 -5.776 -5.878 -2.642 1.00 0.27 C ATOM 628 O LEU A 38 -6.402 -6.932 -2.685 1.00 0.30 O ATOM 629 CB LEU A 38 -4.051 -5.913 -4.442 1.00 0.26 C ATOM 630 CG LEU A 38 -4.276 -6.941 -5.550 1.00 0.32 C ATOM 631 CD1 LEU A 38 -5.116 -8.105 -5.048 1.00 0.60 C ATOM 632 CD2 LEU A 38 -4.937 -6.290 -6.757 1.00 0.69 C ATOM 0 H LEU A 38 -4.032 -3.593 -3.579 1.00 0.24 H new ATOM 0 HA LEU A 38 -6.109 -5.297 -4.652 1.00 0.26 H new ATOM 0 HB2 LEU A 38 -3.361 -5.154 -4.811 1.00 0.26 H new ATOM 0 HB3 LEU A 38 -3.560 -6.410 -3.605 1.00 0.26 H new ATOM 0 HG LEU A 38 -3.304 -7.329 -5.854 1.00 0.32 H new ATOM 0 HD11 LEU A 38 -5.262 -8.823 -5.855 1.00 0.60 H new ATOM 0 HD12 LEU A 38 -4.604 -8.592 -4.218 1.00 0.60 H new ATOM 0 HD13 LEU A 38 -6.085 -7.736 -4.711 1.00 0.60 H new ATOM 0 HD21 LEU A 38 -5.089 -7.037 -7.536 1.00 0.69 H new ATOM 0 HD22 LEU A 38 -5.899 -5.871 -6.463 1.00 0.69 H new ATOM 0 HD23 LEU A 38 -4.296 -5.495 -7.138 1.00 0.69 H new ATOM 644 N LEU A 39 -5.494 -5.259 -1.507 1.00 0.25 N ATOM 645 CA LEU A 39 -5.937 -5.808 -0.240 1.00 0.26 C ATOM 646 C LEU A 39 -7.319 -5.277 0.045 1.00 0.26 C ATOM 647 O LEU A 39 -8.186 -5.973 0.571 1.00 0.27 O ATOM 648 CB LEU A 39 -4.968 -5.453 0.887 1.00 0.27 C ATOM 649 CG LEU A 39 -3.491 -5.677 0.562 1.00 0.33 C ATOM 650 CD1 LEU A 39 -2.611 -4.875 1.504 1.00 0.34 C ATOM 651 CD2 LEU A 39 -3.148 -7.157 0.637 1.00 0.40 C ATOM 0 H LEU A 39 -4.968 -4.388 -1.438 1.00 0.25 H new ATOM 0 HA LEU A 39 -5.963 -6.896 -0.300 1.00 0.26 H new ATOM 0 HB2 LEU A 39 -5.111 -4.406 1.153 1.00 0.27 H new ATOM 0 HB3 LEU A 39 -5.225 -6.043 1.767 1.00 0.27 H new ATOM 0 HG LEU A 39 -3.305 -5.333 -0.456 1.00 0.33 H new ATOM 0 HD11 LEU A 39 -1.563 -5.047 1.258 1.00 0.34 H new ATOM 0 HD12 LEU A 39 -2.839 -3.814 1.400 1.00 0.34 H new ATOM 0 HD13 LEU A 39 -2.798 -5.187 2.531 1.00 0.34 H new ATOM 0 HD21 LEU A 39 -2.093 -7.298 0.403 1.00 0.40 H new ATOM 0 HD22 LEU A 39 -3.349 -7.527 1.642 1.00 0.40 H new ATOM 0 HD23 LEU A 39 -3.756 -7.708 -0.081 1.00 0.40 H new ATOM 663 N LEU A 40 -7.507 -4.039 -0.360 1.00 0.24 N ATOM 664 CA LEU A 40 -8.772 -3.369 -0.217 1.00 0.25 C ATOM 665 C LEU A 40 -9.846 -4.231 -0.870 1.00 0.27 C ATOM 666 O LEU A 40 -10.832 -4.611 -0.242 1.00 0.29 O ATOM 667 CB LEU A 40 -8.675 -2.007 -0.898 1.00 0.25 C ATOM 668 CG LEU A 40 -8.829 -0.780 0.012 1.00 0.27 C ATOM 669 CD1 LEU A 40 -8.128 -0.996 1.349 1.00 0.28 C ATOM 670 CD2 LEU A 40 -8.272 0.453 -0.683 1.00 0.29 C ATOM 0 H LEU A 40 -6.782 -3.471 -0.798 1.00 0.24 H new ATOM 0 HA LEU A 40 -9.028 -3.220 0.832 1.00 0.25 H new ATOM 0 HB2 LEU A 40 -7.709 -1.943 -1.399 1.00 0.25 H new ATOM 0 HB3 LEU A 40 -9.440 -1.957 -1.673 1.00 0.25 H new ATOM 0 HG LEU A 40 -9.890 -0.631 0.210 1.00 0.27 H new ATOM 0 HD11 LEU A 40 -8.254 -0.111 1.973 1.00 0.28 H new ATOM 0 HD12 LEU A 40 -8.563 -1.860 1.852 1.00 0.28 H new ATOM 0 HD13 LEU A 40 -7.066 -1.172 1.179 1.00 0.28 H new ATOM 0 HD21 LEU A 40 -8.385 1.320 -0.032 1.00 0.29 H new ATOM 0 HD22 LEU A 40 -7.216 0.300 -0.904 1.00 0.29 H new ATOM 0 HD23 LEU A 40 -8.816 0.624 -1.612 1.00 0.29 H new ATOM 682 N ARG A 41 -9.629 -4.513 -2.151 1.00 0.28 N ATOM 683 CA ARG A 41 -10.548 -5.314 -2.963 1.00 0.33 C ATOM 684 C ARG A 41 -10.980 -6.601 -2.267 1.00 0.35 C ATOM 685 O ARG A 41 -12.170 -6.861 -2.093 1.00 0.36 O ATOM 686 CB ARG A 41 -9.862 -5.663 -4.284 1.00 0.34 C ATOM 687 CG ARG A 41 -10.595 -5.143 -5.507 1.00 0.78 C ATOM 688 CD ARG A 41 -10.064 -5.770 -6.785 1.00 1.44 C ATOM 689 NE ARG A 41 -9.581 -4.764 -7.728 1.00 2.09 N ATOM 690 CZ ARG A 41 -10.277 -4.347 -8.783 1.00 2.87 C ATOM 691 NH1 ARG A 41 -11.483 -4.843 -9.026 1.00 3.32 N ATOM 692 NH2 ARG A 41 -9.766 -3.431 -9.594 1.00 3.63 N ATOM 0 H ARG A 41 -8.806 -4.192 -2.661 1.00 0.28 H new ATOM 0 HA ARG A 41 -11.446 -4.719 -3.129 1.00 0.33 H new ATOM 0 HB2 ARG A 41 -8.851 -5.256 -4.277 1.00 0.34 H new ATOM 0 HB3 ARG A 41 -9.769 -6.746 -4.360 1.00 0.34 H new ATOM 0 HG2 ARG A 41 -11.660 -5.356 -5.412 1.00 0.78 H new ATOM 0 HG3 ARG A 41 -10.490 -4.059 -5.562 1.00 0.78 H new ATOM 0 HD2 ARG A 41 -9.254 -6.458 -6.542 1.00 1.44 H new ATOM 0 HD3 ARG A 41 -10.852 -6.359 -7.255 1.00 1.44 H new ATOM 0 HE ARG A 41 -8.659 -4.359 -7.569 1.00 2.09 H new ATOM 0 HH11 ARG A 41 -11.880 -5.547 -8.403 1.00 3.32 H new ATOM 0 HH12 ARG A 41 -12.013 -4.521 -9.836 1.00 3.32 H new ATOM 0 HH21 ARG A 41 -8.840 -3.046 -9.409 1.00 3.63 H new ATOM 0 HH22 ARG A 41 -10.299 -3.111 -10.403 1.00 3.63 H new ATOM 706 N GLU A 42 -9.995 -7.411 -1.912 1.00 0.38 N ATOM 707 CA GLU A 42 -10.222 -8.705 -1.267 1.00 0.41 C ATOM 708 C GLU A 42 -11.236 -8.630 -0.127 1.00 0.37 C ATOM 709 O GLU A 42 -11.792 -9.653 0.278 1.00 0.43 O ATOM 710 CB GLU A 42 -8.899 -9.264 -0.740 1.00 0.45 C ATOM 711 CG GLU A 42 -8.565 -10.646 -1.277 1.00 0.60 C ATOM 712 CD GLU A 42 -8.652 -11.722 -0.212 1.00 0.73 C ATOM 713 OE1 GLU A 42 -7.920 -11.623 0.794 1.00 1.14 O ATOM 714 OE2 GLU A 42 -9.455 -12.663 -0.386 1.00 0.85 O ATOM 0 H GLU A 42 -9.010 -7.193 -2.062 1.00 0.38 H new ATOM 0 HA GLU A 42 -10.638 -9.368 -2.026 1.00 0.41 H new ATOM 0 HB2 GLU A 42 -8.094 -8.577 -1.002 1.00 0.45 H new ATOM 0 HB3 GLU A 42 -8.940 -9.307 0.348 1.00 0.45 H new ATOM 0 HG2 GLU A 42 -9.247 -10.890 -2.091 1.00 0.60 H new ATOM 0 HG3 GLU A 42 -7.559 -10.635 -1.696 1.00 0.60 H new ATOM 721 N ASN A 43 -11.478 -7.433 0.397 1.00 0.35 N ATOM 722 CA ASN A 43 -12.428 -7.274 1.491 1.00 0.34 C ATOM 723 C ASN A 43 -13.592 -6.360 1.102 1.00 0.35 C ATOM 724 O ASN A 43 -14.652 -6.402 1.727 1.00 0.37 O ATOM 725 CB ASN A 43 -11.723 -6.732 2.732 1.00 0.30 C ATOM 726 CG ASN A 43 -10.282 -7.189 2.824 1.00 0.30 C ATOM 727 OD1 ASN A 43 -9.998 -8.386 2.866 1.00 0.39 O ATOM 728 ND2 ASN A 43 -9.364 -6.232 2.854 1.00 0.28 N ATOM 0 H ASN A 43 -11.035 -6.568 0.086 1.00 0.35 H new ATOM 0 HA ASN A 43 -12.840 -8.258 1.715 1.00 0.34 H new ATOM 0 HB2 ASN A 43 -11.755 -5.643 2.718 1.00 0.30 H new ATOM 0 HB3 ASN A 43 -12.261 -7.056 3.623 1.00 0.30 H new ATOM 0 HD21 ASN A 43 -8.375 -6.475 2.914 1.00 0.28 H new ATOM 0 HD22 ASN A 43 -9.647 -5.253 2.817 1.00 0.28 H new ATOM 735 N GLY A 44 -13.401 -5.547 0.064 1.00 0.35 N ATOM 736 CA GLY A 44 -14.464 -4.661 -0.375 1.00 0.39 C ATOM 737 C GLY A 44 -14.321 -3.236 0.136 1.00 0.37 C ATOM 738 O GLY A 44 -15.321 -2.577 0.417 1.00 0.40 O ATOM 0 H GLY A 44 -12.537 -5.487 -0.475 1.00 0.35 H new ATOM 0 HA2 GLY A 44 -14.486 -4.646 -1.465 1.00 0.39 H new ATOM 0 HA3 GLY A 44 -15.421 -5.063 -0.042 1.00 0.39 H new ATOM 742 N TRP A 45 -13.086 -2.750 0.243 1.00 0.34 N ATOM 743 CA TRP A 45 -12.845 -1.385 0.710 1.00 0.36 C ATOM 744 C TRP A 45 -12.393 -0.492 -0.441 1.00 0.39 C ATOM 745 O TRP A 45 -11.950 -0.981 -1.480 1.00 0.43 O ATOM 746 CB TRP A 45 -11.788 -1.370 1.818 1.00 0.34 C ATOM 747 CG TRP A 45 -12.315 -1.792 3.156 1.00 0.32 C ATOM 748 CD1 TRP A 45 -12.443 -3.067 3.614 1.00 0.55 C ATOM 749 CD2 TRP A 45 -12.781 -0.938 4.210 1.00 0.27 C ATOM 750 NE1 TRP A 45 -12.961 -3.065 4.885 1.00 0.59 N ATOM 751 CE2 TRP A 45 -13.177 -1.771 5.274 1.00 0.44 C ATOM 752 CE3 TRP A 45 -12.902 0.446 4.358 1.00 0.34 C ATOM 753 CZ2 TRP A 45 -13.686 -1.266 6.468 1.00 0.54 C ATOM 754 CZ3 TRP A 45 -13.407 0.947 5.545 1.00 0.51 C ATOM 755 CH2 TRP A 45 -13.793 0.093 6.585 1.00 0.56 C ATOM 0 H TRP A 45 -12.242 -3.276 0.015 1.00 0.34 H new ATOM 0 HA TRP A 45 -13.783 -0.999 1.110 1.00 0.36 H new ATOM 0 HB2 TRP A 45 -10.968 -2.030 1.535 1.00 0.34 H new ATOM 0 HB3 TRP A 45 -11.374 -0.365 1.900 1.00 0.34 H new ATOM 0 HD1 TRP A 45 -12.175 -3.953 3.057 1.00 0.55 H new ATOM 0 HE1 TRP A 45 -13.154 -3.893 5.448 1.00 0.59 H new ATOM 0 HE3 TRP A 45 -12.607 1.112 3.561 1.00 0.34 H new ATOM 0 HZ2 TRP A 45 -13.985 -1.923 7.272 1.00 0.54 H new ATOM 0 HZ3 TRP A 45 -13.505 2.015 5.671 1.00 0.51 H new ATOM 0 HH2 TRP A 45 -14.183 0.516 7.499 1.00 0.56 H new ATOM 766 N LYS A 46 -12.501 0.820 -0.246 1.00 0.41 N ATOM 767 CA LYS A 46 -12.096 1.779 -1.268 1.00 0.50 C ATOM 768 C LYS A 46 -11.273 2.909 -0.658 1.00 0.51 C ATOM 769 O LYS A 46 -11.360 3.178 0.540 1.00 0.47 O ATOM 770 CB LYS A 46 -13.320 2.349 -1.983 1.00 0.59 C ATOM 771 CG LYS A 46 -14.138 1.300 -2.695 1.00 1.22 C ATOM 772 CD LYS A 46 -15.576 1.750 -2.899 1.00 1.73 C ATOM 773 CE LYS A 46 -15.767 2.407 -4.257 1.00 2.80 C ATOM 774 NZ LYS A 46 -17.140 2.185 -4.792 1.00 3.65 N ATOM 0 H LYS A 46 -12.865 1.242 0.609 1.00 0.41 H new ATOM 0 HA LYS A 46 -11.476 1.254 -1.995 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -13.951 2.860 -1.256 1.00 0.59 H new ATOM 0 HB3 LYS A 46 -12.994 3.098 -2.705 1.00 0.59 H new ATOM 0 HG2 LYS A 46 -13.685 1.080 -3.662 1.00 1.22 H new ATOM 0 HG3 LYS A 46 -14.125 0.375 -2.119 1.00 1.22 H new ATOM 0 HD2 LYS A 46 -16.243 0.892 -2.812 1.00 1.73 H new ATOM 0 HD3 LYS A 46 -15.854 2.451 -2.112 1.00 1.73 H new ATOM 0 HE2 LYS A 46 -15.579 3.477 -4.172 1.00 2.80 H new ATOM 0 HE3 LYS A 46 -15.035 2.009 -4.959 1.00 2.80 H new ATOM 0 HZ1 LYS A 46 -17.231 2.648 -5.719 1.00 3.65 H new ATOM 0 HZ2 LYS A 46 -17.311 1.165 -4.897 1.00 3.65 H new ATOM 0 HZ3 LYS A 46 -17.838 2.587 -4.134 1.00 3.65 H new ATOM 788 N ALA A 47 -10.475 3.568 -1.494 1.00 0.58 N ATOM 789 CA ALA A 47 -9.637 4.670 -1.039 1.00 0.63 C ATOM 790 C ALA A 47 -10.020 5.972 -1.729 1.00 0.70 C ATOM 791 O ALA A 47 -10.235 6.007 -2.941 1.00 0.75 O ATOM 792 CB ALA A 47 -8.168 4.354 -1.285 1.00 0.71 C ATOM 0 H ALA A 47 -10.392 3.357 -2.489 1.00 0.58 H new ATOM 0 HA ALA A 47 -9.797 4.795 0.032 1.00 0.63 H new ATOM 0 HB1 ALA A 47 -7.554 5.186 -0.940 1.00 0.71 H new ATOM 0 HB2 ALA A 47 -7.894 3.451 -0.740 1.00 0.71 H new ATOM 0 HB3 ALA A 47 -8.003 4.199 -2.351 1.00 0.71 H new ATOM 798 N ALA A 48 -10.100 7.044 -0.947 1.00 0.74 N ATOM 799 CA ALA A 48 -10.453 8.354 -1.477 1.00 0.84 C ATOM 800 C ALA A 48 -9.715 9.449 -0.716 1.00 0.94 C ATOM 801 O ALA A 48 -9.055 9.178 0.287 1.00 0.92 O ATOM 802 CB ALA A 48 -11.958 8.566 -1.397 1.00 0.79 C ATOM 0 H ALA A 48 -9.925 7.030 0.058 1.00 0.74 H new ATOM 0 HA ALA A 48 -10.153 8.402 -2.524 1.00 0.84 H new ATOM 0 HB1 ALA A 48 -12.209 9.549 -1.796 1.00 0.79 H new ATOM 0 HB2 ALA A 48 -12.465 7.797 -1.980 1.00 0.79 H new ATOM 0 HB3 ALA A 48 -12.279 8.504 -0.357 1.00 0.79 H new ATOM 808 N LYS A 49 -9.832 10.683 -1.190 1.00 1.06 N ATOM 809 CA LYS A 49 -9.173 11.808 -0.538 1.00 1.18 C ATOM 810 C LYS A 49 -10.126 12.987 -0.387 1.00 1.27 C ATOM 811 O LYS A 49 -11.103 13.110 -1.125 1.00 1.27 O ATOM 812 CB LYS A 49 -7.930 12.242 -1.318 1.00 1.31 C ATOM 813 CG LYS A 49 -6.752 12.612 -0.434 1.00 1.36 C ATOM 814 CD LYS A 49 -5.426 12.222 -1.071 1.00 1.44 C ATOM 815 CE LYS A 49 -5.338 10.724 -1.320 1.00 1.33 C ATOM 816 NZ LYS A 49 -4.579 10.412 -2.563 1.00 1.82 N ATOM 0 H LYS A 49 -10.374 10.930 -2.018 1.00 1.06 H new ATOM 0 HA LYS A 49 -8.866 11.477 0.454 1.00 1.18 H new ATOM 0 HB2 LYS A 49 -7.631 11.435 -1.987 1.00 1.31 H new ATOM 0 HB3 LYS A 49 -8.185 13.097 -1.944 1.00 1.31 H new ATOM 0 HG2 LYS A 49 -6.763 13.685 -0.244 1.00 1.36 H new ATOM 0 HG3 LYS A 49 -6.852 12.116 0.532 1.00 1.36 H new ATOM 0 HD2 LYS A 49 -5.305 12.755 -2.014 1.00 1.44 H new ATOM 0 HD3 LYS A 49 -4.606 12.531 -0.423 1.00 1.44 H new ATOM 0 HE2 LYS A 49 -4.856 10.242 -0.469 1.00 1.33 H new ATOM 0 HE3 LYS A 49 -6.343 10.308 -1.394 1.00 1.33 H new ATOM 0 HZ1 LYS A 49 -4.541 9.381 -2.697 1.00 1.82 H new ATOM 0 HZ2 LYS A 49 -5.053 10.850 -3.378 1.00 1.82 H new ATOM 0 HZ3 LYS A 49 -3.612 10.786 -2.482 1.00 1.82 H new ATOM 830 N THR A 50 -9.831 13.846 0.578 1.00 1.36 N ATOM 831 CA THR A 50 -10.647 15.017 0.847 1.00 1.47 C ATOM 832 C THR A 50 -10.114 16.232 0.099 1.00 1.62 C ATOM 833 O THR A 50 -9.112 16.143 -0.611 1.00 1.64 O ATOM 834 CB THR A 50 -10.665 15.335 2.351 1.00 1.47 C ATOM 835 OG1 THR A 50 -9.403 15.879 2.746 1.00 1.51 O ATOM 836 CG2 THR A 50 -10.970 14.088 3.166 1.00 1.34 C ATOM 0 H THR A 50 -9.023 13.750 1.193 1.00 1.36 H new ATOM 0 HA THR A 50 -11.659 14.794 0.508 1.00 1.47 H new ATOM 0 HB THR A 50 -11.450 16.067 2.539 1.00 1.47 H new ATOM 0 HG1 THR A 50 -9.545 16.730 3.211 1.00 1.51 H new ATOM 0 HG21 THR A 50 -10.977 14.339 4.227 1.00 1.34 H new ATOM 0 HG22 THR A 50 -11.946 13.696 2.879 1.00 1.34 H new ATOM 0 HG23 THR A 50 -10.206 13.334 2.977 1.00 1.34 H new ATOM 844 N ALA A 51 -10.774 17.370 0.276 1.00 1.74 N ATOM 845 CA ALA A 51 -10.347 18.604 -0.368 1.00 1.90 C ATOM 846 C ALA A 51 -8.998 19.040 0.186 1.00 2.01 C ATOM 847 O ALA A 51 -8.216 19.706 -0.492 1.00 2.29 O ATOM 848 CB ALA A 51 -11.385 19.696 -0.168 1.00 1.99 C ATOM 0 H ALA A 51 -11.606 17.463 0.859 1.00 1.74 H new ATOM 0 HA ALA A 51 -10.244 18.424 -1.438 1.00 1.90 H new ATOM 0 HB1 ALA A 51 -11.049 20.611 -0.656 1.00 1.99 H new ATOM 0 HB2 ALA A 51 -12.334 19.380 -0.602 1.00 1.99 H new ATOM 0 HB3 ALA A 51 -11.518 19.881 0.898 1.00 1.99 H new ATOM 854 N ASP A 52 -8.738 18.652 1.432 1.00 1.82 N ATOM 855 CA ASP A 52 -7.489 18.991 2.100 1.00 1.90 C ATOM 856 C ASP A 52 -6.461 17.875 1.935 1.00 1.81 C ATOM 857 O ASP A 52 -5.539 17.743 2.741 1.00 1.82 O ATOM 858 CB ASP A 52 -7.737 19.253 3.588 1.00 1.92 C ATOM 859 CG ASP A 52 -7.814 20.733 3.908 1.00 2.03 C ATOM 860 OD1 ASP A 52 -6.845 21.459 3.597 1.00 2.45 O ATOM 861 OD2 ASP A 52 -8.842 21.166 4.469 1.00 1.97 O ATOM 0 H ASP A 52 -9.381 18.100 2.000 1.00 1.82 H new ATOM 0 HA ASP A 52 -7.094 19.896 1.638 1.00 1.90 H new ATOM 0 HB2 ASP A 52 -8.666 18.770 3.889 1.00 1.92 H new ATOM 0 HB3 ASP A 52 -6.937 18.799 4.173 1.00 1.92 H new ATOM 866 N GLY A 53 -6.620 17.077 0.881 1.00 1.73 N ATOM 867 CA GLY A 53 -5.695 15.991 0.624 1.00 1.66 C ATOM 868 C GLY A 53 -5.772 14.888 1.659 1.00 1.53 C ATOM 869 O GLY A 53 -4.990 13.938 1.612 1.00 1.55 O ATOM 0 H GLY A 53 -7.375 17.165 0.201 1.00 1.73 H new ATOM 0 HA2 GLY A 53 -5.901 15.572 -0.361 1.00 1.66 H new ATOM 0 HA3 GLY A 53 -4.679 16.385 0.597 1.00 1.66 H new ATOM 873 N LYS A 54 -6.713 14.999 2.595 1.00 1.43 N ATOM 874 CA LYS A 54 -6.864 13.978 3.622 1.00 1.32 C ATOM 875 C LYS A 54 -7.253 12.653 2.991 1.00 1.19 C ATOM 876 O LYS A 54 -8.262 12.555 2.299 1.00 1.20 O ATOM 877 CB LYS A 54 -7.895 14.400 4.660 1.00 1.33 C ATOM 878 CG LYS A 54 -7.545 15.711 5.330 1.00 1.57 C ATOM 879 CD LYS A 54 -8.784 16.447 5.797 1.00 1.57 C ATOM 880 CE LYS A 54 -9.202 16.015 7.193 1.00 1.53 C ATOM 881 NZ LYS A 54 -9.034 17.110 8.188 1.00 1.92 N ATOM 0 H LYS A 54 -7.372 15.775 2.661 1.00 1.43 H new ATOM 0 HA LYS A 54 -5.907 13.856 4.129 1.00 1.32 H new ATOM 0 HB2 LYS A 54 -8.870 14.490 4.182 1.00 1.33 H new ATOM 0 HB3 LYS A 54 -7.982 13.621 5.418 1.00 1.33 H new ATOM 0 HG2 LYS A 54 -6.891 15.522 6.181 1.00 1.57 H new ATOM 0 HG3 LYS A 54 -6.989 16.339 4.634 1.00 1.57 H new ATOM 0 HD2 LYS A 54 -8.594 17.520 5.790 1.00 1.57 H new ATOM 0 HD3 LYS A 54 -9.601 16.263 5.099 1.00 1.57 H new ATOM 0 HE2 LYS A 54 -10.244 15.696 7.177 1.00 1.53 H new ATOM 0 HE3 LYS A 54 -8.609 15.153 7.499 1.00 1.53 H new ATOM 0 HZ1 LYS A 54 -9.330 16.774 9.127 1.00 1.92 H new ATOM 0 HZ2 LYS A 54 -8.035 17.398 8.222 1.00 1.92 H new ATOM 0 HZ3 LYS A 54 -9.619 17.924 7.911 1.00 1.92 H new ATOM 895 N VAL A 55 -6.448 11.635 3.236 1.00 1.09 N ATOM 896 CA VAL A 55 -6.715 10.314 2.684 1.00 0.99 C ATOM 897 C VAL A 55 -7.618 9.515 3.611 1.00 0.88 C ATOM 898 O VAL A 55 -7.241 9.203 4.741 1.00 0.90 O ATOM 899 CB VAL A 55 -5.416 9.524 2.439 1.00 0.98 C ATOM 900 CG1 VAL A 55 -5.654 8.397 1.442 1.00 0.93 C ATOM 901 CG2 VAL A 55 -4.310 10.448 1.954 1.00 1.14 C ATOM 0 H VAL A 55 -5.607 11.694 3.810 1.00 1.09 H new ATOM 0 HA VAL A 55 -7.215 10.465 1.727 1.00 0.99 H new ATOM 0 HB VAL A 55 -5.100 9.082 3.384 1.00 0.98 H new ATOM 0 HG11 VAL A 55 -4.725 7.850 1.282 1.00 0.93 H new ATOM 0 HG12 VAL A 55 -6.411 7.718 1.834 1.00 0.93 H new ATOM 0 HG13 VAL A 55 -5.997 8.815 0.495 1.00 0.93 H new ATOM 0 HG21 VAL A 55 -3.401 9.871 1.787 1.00 1.14 H new ATOM 0 HG22 VAL A 55 -4.615 10.923 1.021 1.00 1.14 H new ATOM 0 HG23 VAL A 55 -4.120 11.214 2.706 1.00 1.14 H new ATOM 911 N TYR A 56 -8.811 9.190 3.132 1.00 0.80 N ATOM 912 CA TYR A 56 -9.763 8.430 3.929 1.00 0.74 C ATOM 913 C TYR A 56 -10.295 7.224 3.161 1.00 0.63 C ATOM 914 O TYR A 56 -10.640 7.318 1.982 1.00 0.62 O ATOM 915 CB TYR A 56 -10.917 9.331 4.388 1.00 0.85 C ATOM 916 CG TYR A 56 -11.995 9.553 3.347 1.00 0.89 C ATOM 917 CD1 TYR A 56 -11.766 10.354 2.233 1.00 0.97 C ATOM 918 CD2 TYR A 56 -13.245 8.961 3.484 1.00 0.89 C ATOM 919 CE1 TYR A 56 -12.754 10.559 1.287 1.00 1.02 C ATOM 920 CE2 TYR A 56 -14.236 9.163 2.542 1.00 0.93 C ATOM 921 CZ TYR A 56 -13.986 9.961 1.447 1.00 0.98 C ATOM 922 OH TYR A 56 -14.972 10.164 0.507 1.00 1.03 O ATOM 0 H TYR A 56 -9.141 9.440 2.200 1.00 0.80 H new ATOM 0 HA TYR A 56 -9.240 8.057 4.809 1.00 0.74 H new ATOM 0 HB2 TYR A 56 -11.372 8.892 5.276 1.00 0.85 H new ATOM 0 HB3 TYR A 56 -10.510 10.298 4.683 1.00 0.85 H new ATOM 0 HD1 TYR A 56 -10.802 10.823 2.105 1.00 0.97 H new ATOM 0 HD2 TYR A 56 -13.445 8.333 4.340 1.00 0.89 H new ATOM 0 HE1 TYR A 56 -12.561 11.184 0.428 1.00 1.02 H new ATOM 0 HE2 TYR A 56 -15.203 8.697 2.664 1.00 0.93 H new ATOM 0 HH TYR A 56 -15.778 9.672 0.767 1.00 1.03 H new ATOM 932 N TYR A 57 -10.359 6.089 3.850 1.00 0.58 N ATOM 933 CA TYR A 57 -10.851 4.853 3.257 1.00 0.48 C ATOM 934 C TYR A 57 -12.209 4.500 3.847 1.00 0.45 C ATOM 935 O TYR A 57 -12.418 4.628 5.052 1.00 0.47 O ATOM 936 CB TYR A 57 -9.861 3.708 3.503 1.00 0.43 C ATOM 937 CG TYR A 57 -8.413 4.104 3.314 1.00 0.44 C ATOM 938 CD1 TYR A 57 -7.717 4.765 4.317 1.00 0.49 C ATOM 939 CD2 TYR A 57 -7.741 3.814 2.132 1.00 0.45 C ATOM 940 CE1 TYR A 57 -6.393 5.126 4.150 1.00 0.51 C ATOM 941 CE2 TYR A 57 -6.418 4.173 1.956 1.00 0.48 C ATOM 942 CZ TYR A 57 -5.751 4.832 2.965 1.00 0.49 C ATOM 943 OH TYR A 57 -4.430 5.185 2.798 1.00 0.54 O ATOM 0 H TYR A 57 -10.074 6.001 4.825 1.00 0.58 H new ATOM 0 HA TYR A 57 -10.954 4.999 2.182 1.00 0.48 H new ATOM 0 HB2 TYR A 57 -9.997 3.334 4.518 1.00 0.43 H new ATOM 0 HB3 TYR A 57 -10.095 2.886 2.827 1.00 0.43 H new ATOM 0 HD1 TYR A 57 -8.219 5.001 5.244 1.00 0.49 H new ATOM 0 HD2 TYR A 57 -8.262 3.299 1.338 1.00 0.45 H new ATOM 0 HE1 TYR A 57 -5.865 5.635 4.942 1.00 0.51 H new ATOM 0 HE2 TYR A 57 -5.910 3.938 1.032 1.00 0.48 H new ATOM 0 HH TYR A 57 -4.127 4.906 1.909 1.00 0.54 H new ATOM 953 N TYR A 58 -13.130 4.055 3.003 1.00 0.41 N ATOM 954 CA TYR A 58 -14.462 3.688 3.470 1.00 0.41 C ATOM 955 C TYR A 58 -15.018 2.491 2.703 1.00 0.35 C ATOM 956 O TYR A 58 -14.687 2.275 1.536 1.00 0.34 O ATOM 957 CB TYR A 58 -15.410 4.888 3.378 1.00 0.46 C ATOM 958 CG TYR A 58 -16.122 5.024 2.052 1.00 0.45 C ATOM 959 CD1 TYR A 58 -15.458 5.517 0.939 1.00 0.45 C ATOM 960 CD2 TYR A 58 -17.453 4.650 1.914 1.00 0.47 C ATOM 961 CE1 TYR A 58 -16.098 5.638 -0.277 1.00 0.46 C ATOM 962 CE2 TYR A 58 -18.103 4.766 0.701 1.00 0.48 C ATOM 963 CZ TYR A 58 -17.444 5.284 -0.379 1.00 0.47 C ATOM 964 OH TYR A 58 -18.062 5.380 -1.604 1.00 0.50 O ATOM 0 H TYR A 58 -12.983 3.940 2.000 1.00 0.41 H new ATOM 0 HA TYR A 58 -14.379 3.391 4.515 1.00 0.41 H new ATOM 0 HB2 TYR A 58 -16.155 4.808 4.170 1.00 0.46 H new ATOM 0 HB3 TYR A 58 -14.842 5.799 3.566 1.00 0.46 H new ATOM 0 HD1 TYR A 58 -14.422 5.811 1.026 1.00 0.45 H new ATOM 0 HD2 TYR A 58 -17.988 4.263 2.769 1.00 0.47 H new ATOM 0 HE1 TYR A 58 -15.563 6.003 -1.141 1.00 0.46 H new ATOM 0 HE2 TYR A 58 -19.131 4.448 0.606 1.00 0.48 H new ATOM 0 HH TYR A 58 -18.997 5.099 -1.521 1.00 0.50 H new ATOM 974 N ASN A 59 -15.866 1.718 3.375 1.00 0.34 N ATOM 975 CA ASN A 59 -16.483 0.542 2.775 1.00 0.32 C ATOM 976 C ASN A 59 -17.974 0.788 2.535 1.00 0.35 C ATOM 977 O ASN A 59 -18.756 0.852 3.484 1.00 0.41 O ATOM 978 CB ASN A 59 -16.288 -0.676 3.680 1.00 0.33 C ATOM 979 CG ASN A 59 -16.502 -1.983 2.944 1.00 0.33 C ATOM 980 OD1 ASN A 59 -17.477 -2.142 2.211 1.00 0.44 O ATOM 981 ND2 ASN A 59 -15.587 -2.928 3.130 1.00 0.46 N ATOM 0 H ASN A 59 -16.142 1.888 4.342 1.00 0.34 H new ATOM 0 HA ASN A 59 -16.003 0.348 1.816 1.00 0.32 H new ATOM 0 HB2 ASN A 59 -15.281 -0.658 4.097 1.00 0.33 H new ATOM 0 HB3 ASN A 59 -16.982 -0.617 4.519 1.00 0.33 H new ATOM 0 HD21 ASN A 59 -15.678 -3.827 2.656 1.00 0.46 H new ATOM 0 HD22 ASN A 59 -14.793 -2.755 3.747 1.00 0.46 H new ATOM 988 N PRO A 60 -18.384 0.949 1.260 1.00 0.36 N ATOM 989 CA PRO A 60 -19.784 1.209 0.900 1.00 0.42 C ATOM 990 C PRO A 60 -20.694 -0.001 1.096 1.00 0.45 C ATOM 991 O PRO A 60 -21.869 0.038 0.736 1.00 0.46 O ATOM 992 CB PRO A 60 -19.723 1.583 -0.590 1.00 0.47 C ATOM 993 CG PRO A 60 -18.275 1.771 -0.902 1.00 0.43 C ATOM 994 CD PRO A 60 -17.523 0.912 0.073 1.00 0.36 C ATOM 0 HA PRO A 60 -20.208 1.985 1.537 1.00 0.42 H new ATOM 0 HB2 PRO A 60 -20.158 0.798 -1.209 1.00 0.47 H new ATOM 0 HB3 PRO A 60 -20.287 2.494 -0.788 1.00 0.47 H new ATOM 0 HG2 PRO A 60 -18.056 1.478 -1.929 1.00 0.43 H new ATOM 0 HG3 PRO A 60 -17.988 2.818 -0.801 1.00 0.43 H new ATOM 0 HD2 PRO A 60 -17.390 -0.104 -0.300 1.00 0.36 H new ATOM 0 HD3 PRO A 60 -16.529 1.308 0.280 1.00 0.36 H new ATOM 1002 N THR A 61 -20.156 -1.072 1.674 1.00 0.47 N ATOM 1003 CA THR A 61 -20.946 -2.274 1.915 1.00 0.53 C ATOM 1004 C THR A 61 -21.504 -2.270 3.334 1.00 0.58 C ATOM 1005 O THR A 61 -22.638 -2.685 3.571 1.00 0.64 O ATOM 1006 CB THR A 61 -20.119 -3.560 1.666 1.00 0.53 C ATOM 1007 OG1 THR A 61 -20.922 -4.526 0.976 1.00 0.96 O ATOM 1008 CG2 THR A 61 -19.605 -4.165 2.966 1.00 0.81 C ATOM 0 H THR A 61 -19.185 -1.132 1.981 1.00 0.47 H new ATOM 0 HA THR A 61 -21.776 -2.270 1.208 1.00 0.53 H new ATOM 0 HB THR A 61 -19.257 -3.285 1.059 1.00 0.53 H new ATOM 0 HG1 THR A 61 -20.395 -5.337 0.819 1.00 0.96 H new ATOM 0 HG21 THR A 61 -19.030 -5.065 2.746 1.00 0.81 H new ATOM 0 HG22 THR A 61 -18.968 -3.443 3.476 1.00 0.81 H new ATOM 0 HG23 THR A 61 -20.449 -4.421 3.607 1.00 0.81 H new ATOM 1016 N THR A 62 -20.697 -1.779 4.268 1.00 0.57 N ATOM 1017 CA THR A 62 -21.100 -1.694 5.666 1.00 0.65 C ATOM 1018 C THR A 62 -21.173 -0.236 6.109 1.00 0.65 C ATOM 1019 O THR A 62 -21.507 0.061 7.258 1.00 0.72 O ATOM 1020 CB THR A 62 -20.124 -2.463 6.578 1.00 0.67 C ATOM 1021 OG1 THR A 62 -20.232 -1.996 7.929 1.00 0.66 O ATOM 1022 CG2 THR A 62 -18.693 -2.300 6.094 1.00 0.73 C ATOM 0 H THR A 62 -19.756 -1.433 4.081 1.00 0.57 H new ATOM 0 HA THR A 62 -22.086 -2.150 5.754 1.00 0.65 H new ATOM 0 HB THR A 62 -20.388 -3.520 6.541 1.00 0.67 H new ATOM 0 HG1 THR A 62 -21.005 -1.398 8.008 1.00 0.66 H new ATOM 0 HG21 THR A 62 -18.021 -2.851 6.752 1.00 0.73 H new ATOM 0 HG22 THR A 62 -18.606 -2.688 5.079 1.00 0.73 H new ATOM 0 HG23 THR A 62 -18.424 -1.244 6.103 1.00 0.73 H new ATOM 1030 N ARG A 63 -20.843 0.668 5.188 1.00 0.58 N ATOM 1031 CA ARG A 63 -20.851 2.100 5.474 1.00 0.59 C ATOM 1032 C ARG A 63 -19.872 2.414 6.601 1.00 0.60 C ATOM 1033 O ARG A 63 -20.181 3.176 7.517 1.00 0.62 O ATOM 1034 CB ARG A 63 -22.260 2.569 5.849 1.00 0.67 C ATOM 1035 CG ARG A 63 -23.220 2.616 4.672 1.00 0.80 C ATOM 1036 CD ARG A 63 -23.926 3.959 4.582 1.00 1.42 C ATOM 1037 NE ARG A 63 -23.041 5.012 4.091 1.00 2.00 N ATOM 1038 CZ ARG A 63 -23.311 5.770 3.034 1.00 2.29 C ATOM 1039 NH1 ARG A 63 -24.438 5.590 2.354 1.00 2.24 N ATOM 1040 NH2 ARG A 63 -22.457 6.709 2.653 1.00 3.10 N ATOM 0 H ARG A 63 -20.566 0.432 4.235 1.00 0.58 H new ATOM 0 HA ARG A 63 -20.540 2.634 4.576 1.00 0.59 H new ATOM 0 HB2 ARG A 63 -22.665 1.903 6.611 1.00 0.67 H new ATOM 0 HB3 ARG A 63 -22.197 3.562 6.295 1.00 0.67 H new ATOM 0 HG2 ARG A 63 -22.673 2.428 3.748 1.00 0.80 H new ATOM 0 HG3 ARG A 63 -23.959 1.821 4.772 1.00 0.80 H new ATOM 0 HD2 ARG A 63 -24.787 3.872 3.920 1.00 1.42 H new ATOM 0 HD3 ARG A 63 -24.307 4.235 5.565 1.00 1.42 H new ATOM 0 HE ARG A 63 -22.165 5.175 4.588 1.00 2.00 H new ATOM 0 HH11 ARG A 63 -25.098 4.868 2.643 1.00 2.24 H new ATOM 0 HH12 ARG A 63 -24.643 6.173 1.543 1.00 2.24 H new ATOM 0 HH21 ARG A 63 -21.590 6.851 3.172 1.00 3.10 H new ATOM 0 HH22 ARG A 63 -22.666 7.290 1.841 1.00 3.10 H new ATOM 1054 N GLU A 64 -18.690 1.811 6.522 1.00 0.60 N ATOM 1055 CA GLU A 64 -17.653 2.008 7.530 1.00 0.62 C ATOM 1056 C GLU A 64 -16.646 3.061 7.081 1.00 0.56 C ATOM 1057 O GLU A 64 -16.373 3.201 5.889 1.00 0.62 O ATOM 1058 CB GLU A 64 -16.934 0.690 7.811 1.00 0.59 C ATOM 1059 CG GLU A 64 -17.639 -0.180 8.838 1.00 0.79 C ATOM 1060 CD GLU A 64 -16.679 -0.807 9.833 1.00 1.62 C ATOM 1061 OE1 GLU A 64 -15.477 -0.913 9.511 1.00 1.85 O ATOM 1062 OE2 GLU A 64 -17.129 -1.189 10.934 1.00 2.43 O ATOM 0 H GLU A 64 -18.425 1.179 5.767 1.00 0.60 H new ATOM 0 HA GLU A 64 -18.133 2.358 8.444 1.00 0.62 H new ATOM 0 HB2 GLU A 64 -16.838 0.132 6.879 1.00 0.59 H new ATOM 0 HB3 GLU A 64 -15.924 0.904 8.160 1.00 0.59 H new ATOM 0 HG2 GLU A 64 -18.372 0.421 9.376 1.00 0.79 H new ATOM 0 HG3 GLU A 64 -18.189 -0.968 8.324 1.00 0.79 H new ATOM 1069 N THR A 65 -16.098 3.802 8.039 1.00 0.68 N ATOM 1070 CA THR A 65 -15.123 4.843 7.732 1.00 0.64 C ATOM 1071 C THR A 65 -13.841 4.673 8.541 1.00 0.63 C ATOM 1072 O THR A 65 -13.857 4.712 9.772 1.00 0.69 O ATOM 1073 CB THR A 65 -15.699 6.246 7.992 1.00 0.77 C ATOM 1074 OG1 THR A 65 -16.627 6.200 9.083 1.00 0.91 O ATOM 1075 CG2 THR A 65 -16.394 6.782 6.751 1.00 0.67 C ATOM 0 H THR A 65 -16.311 3.702 9.031 1.00 0.68 H new ATOM 0 HA THR A 65 -14.888 4.742 6.673 1.00 0.64 H new ATOM 0 HB THR A 65 -14.875 6.913 8.245 1.00 0.77 H new ATOM 0 HG1 THR A 65 -16.988 7.097 9.243 1.00 0.91 H new ATOM 0 HG21 THR A 65 -16.794 7.775 6.958 1.00 0.67 H new ATOM 0 HG22 THR A 65 -15.679 6.842 5.931 1.00 0.67 H new ATOM 0 HG23 THR A 65 -17.209 6.114 6.473 1.00 0.67 H new ATOM 1083 N SER A 66 -12.732 4.494 7.833 1.00 0.55 N ATOM 1084 CA SER A 66 -11.426 4.330 8.461 1.00 0.55 C ATOM 1085 C SER A 66 -10.420 5.306 7.854 1.00 0.56 C ATOM 1086 O SER A 66 -10.415 5.529 6.645 1.00 0.56 O ATOM 1087 CB SER A 66 -10.930 2.892 8.293 1.00 0.48 C ATOM 1088 OG SER A 66 -9.620 2.740 8.812 1.00 1.09 O ATOM 0 H SER A 66 -12.712 4.459 6.814 1.00 0.55 H new ATOM 0 HA SER A 66 -11.525 4.544 9.525 1.00 0.55 H new ATOM 0 HB2 SER A 66 -11.608 2.208 8.803 1.00 0.48 H new ATOM 0 HB3 SER A 66 -10.940 2.622 7.237 1.00 0.48 H new ATOM 0 HG SER A 66 -9.012 2.473 8.092 1.00 1.09 H new ATOM 1094 N TRP A 67 -9.586 5.897 8.701 1.00 0.63 N ATOM 1095 CA TRP A 67 -8.591 6.864 8.243 1.00 0.68 C ATOM 1096 C TRP A 67 -7.290 6.182 7.822 1.00 0.62 C ATOM 1097 O TRP A 67 -6.316 6.853 7.484 1.00 0.68 O ATOM 1098 CB TRP A 67 -8.306 7.890 9.340 1.00 0.77 C ATOM 1099 CG TRP A 67 -9.389 8.915 9.493 1.00 0.90 C ATOM 1100 CD1 TRP A 67 -10.496 8.825 10.288 1.00 0.97 C ATOM 1101 CD2 TRP A 67 -9.471 10.184 8.832 1.00 1.00 C ATOM 1102 NE1 TRP A 67 -11.259 9.961 10.164 1.00 1.09 N ATOM 1103 CE2 TRP A 67 -10.651 10.810 9.277 1.00 1.11 C ATOM 1104 CE3 TRP A 67 -8.662 10.853 7.909 1.00 1.06 C ATOM 1105 CZ2 TRP A 67 -11.040 12.071 8.830 1.00 1.23 C ATOM 1106 CZ3 TRP A 67 -9.048 12.105 7.467 1.00 1.21 C ATOM 1107 CH2 TRP A 67 -10.228 12.702 7.928 1.00 1.28 C ATOM 0 H TRP A 67 -9.577 5.726 9.706 1.00 0.63 H new ATOM 0 HA TRP A 67 -9.004 7.369 7.370 1.00 0.68 H new ATOM 0 HB2 TRP A 67 -8.172 7.369 10.288 1.00 0.77 H new ATOM 0 HB3 TRP A 67 -7.366 8.396 9.119 1.00 0.77 H new ATOM 0 HD1 TRP A 67 -10.736 7.984 10.921 1.00 0.97 H new ATOM 0 HE1 TRP A 67 -12.136 10.143 10.653 1.00 1.09 H new ATOM 0 HE3 TRP A 67 -7.751 10.400 7.547 1.00 1.06 H new ATOM 0 HZ2 TRP A 67 -11.950 12.534 9.183 1.00 1.23 H new ATOM 0 HZ3 TRP A 67 -8.430 12.631 6.755 1.00 1.21 H new ATOM 0 HH2 TRP A 67 -10.503 13.681 7.564 1.00 1.28 H new ATOM 1118 N THR A 68 -7.276 4.852 7.843 1.00 0.54 N ATOM 1119 CA THR A 68 -6.082 4.103 7.460 1.00 0.50 C ATOM 1120 C THR A 68 -6.422 2.670 7.056 1.00 0.45 C ATOM 1121 O THR A 68 -7.313 2.047 7.633 1.00 0.44 O ATOM 1122 CB THR A 68 -5.054 4.065 8.608 1.00 0.50 C ATOM 1123 OG1 THR A 68 -5.699 4.350 9.854 1.00 1.17 O ATOM 1124 CG2 THR A 68 -3.937 5.069 8.368 1.00 1.42 C ATOM 0 H THR A 68 -8.070 4.274 8.119 1.00 0.54 H new ATOM 0 HA THR A 68 -5.652 4.622 6.604 1.00 0.50 H new ATOM 0 HB THR A 68 -4.621 3.065 8.644 1.00 0.50 H new ATOM 0 HG1 THR A 68 -5.039 4.322 10.578 1.00 1.17 H new ATOM 0 HG21 THR A 68 -3.224 5.024 9.191 1.00 1.42 H new ATOM 0 HG22 THR A 68 -3.428 4.831 7.434 1.00 1.42 H new ATOM 0 HG23 THR A 68 -4.357 6.073 8.307 1.00 1.42 H new ATOM 1132 N ILE A 69 -5.698 2.158 6.061 1.00 0.43 N ATOM 1133 CA ILE A 69 -5.906 0.802 5.573 1.00 0.39 C ATOM 1134 C ILE A 69 -5.929 -0.202 6.724 1.00 0.35 C ATOM 1135 O ILE A 69 -4.946 -0.351 7.449 1.00 0.35 O ATOM 1136 CB ILE A 69 -4.804 0.399 4.577 1.00 0.44 C ATOM 1137 CG1 ILE A 69 -4.795 1.362 3.385 1.00 0.57 C ATOM 1138 CG2 ILE A 69 -4.976 -1.043 4.128 1.00 0.38 C ATOM 1139 CD1 ILE A 69 -5.429 0.815 2.130 1.00 0.62 C ATOM 0 H ILE A 69 -4.959 2.668 5.577 1.00 0.43 H new ATOM 0 HA ILE A 69 -6.872 0.788 5.068 1.00 0.39 H new ATOM 0 HB ILE A 69 -3.838 0.468 5.077 1.00 0.44 H new ATOM 0 HG12 ILE A 69 -5.315 2.277 3.670 1.00 0.57 H new ATOM 0 HG13 ILE A 69 -3.764 1.637 3.165 1.00 0.57 H new ATOM 0 HG21 ILE A 69 -4.184 -1.302 3.425 1.00 0.38 H new ATOM 0 HG22 ILE A 69 -4.922 -1.703 4.994 1.00 0.38 H new ATOM 0 HG23 ILE A 69 -5.945 -1.160 3.643 1.00 0.38 H new ATOM 0 HD11 ILE A 69 -5.377 1.564 1.340 1.00 0.62 H new ATOM 0 HD12 ILE A 69 -4.896 -0.082 1.815 1.00 0.62 H new ATOM 0 HD13 ILE A 69 -6.472 0.567 2.327 1.00 0.62 H new ATOM 1151 N PRO A 70 -7.060 -0.904 6.903 1.00 0.36 N ATOM 1152 CA PRO A 70 -7.215 -1.897 7.971 1.00 0.37 C ATOM 1153 C PRO A 70 -6.247 -3.067 7.813 1.00 0.38 C ATOM 1154 O PRO A 70 -5.820 -3.386 6.703 1.00 0.41 O ATOM 1155 CB PRO A 70 -8.667 -2.371 7.824 1.00 0.37 C ATOM 1156 CG PRO A 70 -9.338 -1.327 6.993 1.00 0.36 C ATOM 1157 CD PRO A 70 -8.274 -0.786 6.085 1.00 0.42 C ATOM 0 HA PRO A 70 -6.997 -1.476 8.952 1.00 0.37 H new ATOM 0 HB2 PRO A 70 -8.715 -3.348 7.343 1.00 0.37 H new ATOM 0 HB3 PRO A 70 -9.149 -2.470 8.797 1.00 0.37 H new ATOM 0 HG2 PRO A 70 -10.162 -1.752 6.420 1.00 0.36 H new ATOM 0 HG3 PRO A 70 -9.757 -0.539 7.618 1.00 0.36 H new ATOM 0 HD2 PRO A 70 -8.198 -1.362 5.162 1.00 0.42 H new ATOM 0 HD3 PRO A 70 -8.472 0.248 5.801 1.00 0.42 H new ATOM 1165 N ALA A 71 -5.895 -3.694 8.932 1.00 0.48 N ATOM 1166 CA ALA A 71 -4.969 -4.820 8.922 1.00 0.53 C ATOM 1167 C ALA A 71 -5.588 -6.054 8.271 1.00 0.50 C ATOM 1168 O ALA A 71 -6.560 -6.615 8.777 1.00 0.50 O ATOM 1169 CB ALA A 71 -4.517 -5.141 10.339 1.00 0.65 C ATOM 0 H ALA A 71 -6.238 -3.440 9.858 1.00 0.48 H new ATOM 0 HA ALA A 71 -4.103 -4.532 8.326 1.00 0.53 H new ATOM 0 HB1 ALA A 71 -3.826 -5.984 10.318 1.00 0.65 H new ATOM 0 HB2 ALA A 71 -4.017 -4.272 10.767 1.00 0.65 H new ATOM 0 HB3 ALA A 71 -5.384 -5.398 10.948 1.00 0.65 H new ATOM 1175 N PHE A 72 -5.012 -6.474 7.145 1.00 0.50 N ATOM 1176 CA PHE A 72 -5.500 -7.644 6.424 1.00 0.52 C ATOM 1177 C PHE A 72 -4.431 -8.731 6.366 1.00 0.61 C ATOM 1178 O PHE A 72 -3.546 -8.700 5.511 1.00 0.64 O ATOM 1179 CB PHE A 72 -5.924 -7.260 5.003 1.00 0.49 C ATOM 1180 CG PHE A 72 -6.894 -6.113 4.947 1.00 0.40 C ATOM 1181 CD1 PHE A 72 -8.052 -6.134 5.705 1.00 0.37 C ATOM 1182 CD2 PHE A 72 -6.646 -5.014 4.137 1.00 0.40 C ATOM 1183 CE1 PHE A 72 -8.946 -5.080 5.661 1.00 0.33 C ATOM 1184 CE2 PHE A 72 -7.536 -3.959 4.089 1.00 0.38 C ATOM 1185 CZ PHE A 72 -8.685 -3.991 4.836 1.00 0.34 C ATOM 0 H PHE A 72 -4.207 -6.020 6.714 1.00 0.50 H new ATOM 0 HA PHE A 72 -6.365 -8.032 6.962 1.00 0.52 H new ATOM 0 HB2 PHE A 72 -5.036 -7.001 4.427 1.00 0.49 H new ATOM 0 HB3 PHE A 72 -6.374 -8.128 4.521 1.00 0.49 H new ATOM 0 HD1 PHE A 72 -8.260 -6.984 6.338 1.00 0.37 H new ATOM 0 HD2 PHE A 72 -5.748 -4.983 3.538 1.00 0.40 H new ATOM 0 HE1 PHE A 72 -9.842 -5.102 6.264 1.00 0.33 H new ATOM 0 HE2 PHE A 72 -7.326 -3.106 3.461 1.00 0.38 H new ATOM 0 HZ PHE A 72 -9.387 -3.172 4.784 1.00 0.34 H new ATOM 1195 N GLU A 73 -4.521 -9.692 7.281 1.00 0.68 N ATOM 1196 CA GLU A 73 -3.561 -10.789 7.332 1.00 0.78 C ATOM 1197 C GLU A 73 -4.264 -12.133 7.162 1.00 0.93 C ATOM 1198 O GLU A 73 -5.494 -12.201 7.132 1.00 1.03 O ATOM 1199 CB GLU A 73 -2.799 -10.767 8.659 1.00 0.62 C ATOM 1200 CG GLU A 73 -2.387 -9.373 9.104 1.00 1.34 C ATOM 1201 CD GLU A 73 -0.882 -9.194 9.138 1.00 2.08 C ATOM 1202 OE1 GLU A 73 -0.272 -9.491 10.188 1.00 2.45 O ATOM 1203 OE2 GLU A 73 -0.312 -8.756 8.116 1.00 2.81 O ATOM 0 H GLU A 73 -5.248 -9.733 7.996 1.00 0.68 H new ATOM 0 HA GLU A 73 -2.855 -10.659 6.512 1.00 0.78 H new ATOM 0 HB2 GLU A 73 -3.421 -11.217 9.433 1.00 0.62 H new ATOM 0 HB3 GLU A 73 -1.908 -11.387 8.566 1.00 0.62 H new ATOM 0 HG2 GLU A 73 -2.822 -8.636 8.428 1.00 1.34 H new ATOM 0 HG3 GLU A 73 -2.795 -9.176 10.095 1.00 1.34 H new