USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=23 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= -3.27 K(o=-4.1,f=-15!) USER MOD Set 1.2: A 21 THR OG1 : rot 180:sc= -0.793 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -114:sc= -0.0296 (180deg=-2.23!) 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= -0.139 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 -76:sc= 0.412 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -1.07 F(o=-3.5!,f=-1.1) USER MOD Single : A 46 LYS NZ :NH3+ -141:sc= -1.47! (180deg=-2.78!) USER MOD Single : A 49 LYS NZ :NH3+ -135:sc= -0.0187 (180deg=-0.0335) USER MOD Single : A 50 THR OG1 : rot 153:sc= -2.87! 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= -2.56! C(o=-2.6!,f=-17!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 16:sc= 0.634 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -123:sc= 0.23 USER MOD Single : A 68 THR OG1 : rot 180:sc=-0.00533 USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 7.938 -5.815 2.890 1.00 1.27 N ATOM 19 CA SER A 2 8.350 -4.585 3.561 1.00 0.64 C ATOM 20 C SER A 2 9.565 -3.978 2.874 1.00 0.57 C ATOM 21 O SER A 2 10.548 -3.622 3.525 1.00 0.62 O ATOM 22 CB SER A 2 8.660 -4.858 5.034 1.00 1.37 C ATOM 23 OG SER A 2 8.112 -3.848 5.863 1.00 2.15 O ATOM 0 HA SER A 2 7.527 -3.873 3.501 1.00 0.64 H new ATOM 0 HB2 SER A 2 8.255 -5.829 5.321 1.00 1.37 H new ATOM 0 HB3 SER A 2 9.739 -4.907 5.179 1.00 1.37 H new ATOM 0 HG SER A 2 8.322 -4.044 6.800 1.00 2.15 H new ATOM 29 N ILE A 3 9.498 -3.874 1.553 1.00 0.57 N ATOM 30 CA ILE A 3 10.594 -3.324 0.771 1.00 0.52 C ATOM 31 C ILE A 3 10.837 -1.850 1.088 1.00 0.43 C ATOM 32 O ILE A 3 11.973 -1.378 1.049 1.00 0.47 O ATOM 33 CB ILE A 3 10.327 -3.482 -0.735 1.00 0.54 C ATOM 34 CG1 ILE A 3 10.010 -4.952 -1.051 1.00 0.67 C ATOM 35 CG2 ILE A 3 11.514 -2.965 -1.544 1.00 0.53 C ATOM 36 CD1 ILE A 3 11.000 -5.639 -1.974 1.00 0.52 C ATOM 0 H ILE A 3 8.692 -4.165 1.000 1.00 0.57 H new ATOM 0 HA ILE A 3 11.487 -3.887 1.043 1.00 0.52 H new ATOM 0 HB ILE A 3 9.461 -2.883 -1.018 1.00 0.54 H new ATOM 0 HG12 ILE A 3 9.964 -5.507 -0.114 1.00 0.67 H new ATOM 0 HG13 ILE A 3 9.019 -5.005 -1.502 1.00 0.67 H new ATOM 0 HG21 ILE A 3 11.309 -3.084 -2.608 1.00 0.53 H new ATOM 0 HG22 ILE A 3 11.674 -1.910 -1.321 1.00 0.53 H new ATOM 0 HG23 ILE A 3 12.408 -3.531 -1.281 1.00 0.53 H new ATOM 0 HD11 ILE A 3 10.690 -6.671 -2.136 1.00 0.52 H new ATOM 0 HD12 ILE A 3 11.031 -5.115 -2.929 1.00 0.52 H new ATOM 0 HD13 ILE A 3 11.991 -5.625 -1.520 1.00 0.52 H new ATOM 48 N TRP A 4 9.765 -1.123 1.392 1.00 0.37 N ATOM 49 CA TRP A 4 9.876 0.301 1.699 1.00 0.31 C ATOM 50 C TRP A 4 9.593 0.588 3.167 1.00 0.34 C ATOM 51 O TRP A 4 8.949 -0.204 3.855 1.00 0.39 O ATOM 52 CB TRP A 4 8.931 1.105 0.808 1.00 0.31 C ATOM 53 CG TRP A 4 9.344 1.071 -0.628 1.00 0.27 C ATOM 54 CD1 TRP A 4 8.932 0.181 -1.576 1.00 0.27 C ATOM 55 CD2 TRP A 4 10.261 1.958 -1.276 1.00 0.25 C ATOM 56 NE1 TRP A 4 9.549 0.453 -2.772 1.00 0.25 N ATOM 57 CE2 TRP A 4 10.364 1.543 -2.616 1.00 0.24 C ATOM 58 CE3 TRP A 4 11.005 3.063 -0.856 1.00 0.26 C ATOM 59 CZ2 TRP A 4 11.182 2.191 -3.537 1.00 0.25 C ATOM 60 CZ3 TRP A 4 11.815 3.708 -1.771 1.00 0.26 C ATOM 61 CH2 TRP A 4 11.897 3.270 -3.099 1.00 0.26 C ATOM 0 H TRP A 4 8.815 -1.493 1.432 1.00 0.37 H new ATOM 0 HA TRP A 4 10.904 0.604 1.500 1.00 0.31 H new ATOM 0 HB2 TRP A 4 7.920 0.709 0.903 1.00 0.31 H new ATOM 0 HB3 TRP A 4 8.902 2.139 1.152 1.00 0.31 H new ATOM 0 HD1 TRP A 4 8.225 -0.619 -1.410 1.00 0.27 H new ATOM 0 HE1 TRP A 4 9.421 -0.072 -3.637 1.00 0.25 H new ATOM 0 HE3 TRP A 4 10.948 3.407 0.166 1.00 0.26 H new ATOM 0 HZ2 TRP A 4 11.249 1.853 -4.561 1.00 0.25 H new ATOM 0 HZ3 TRP A 4 12.394 4.564 -1.457 1.00 0.26 H new ATOM 0 HH2 TRP A 4 12.538 3.796 -3.791 1.00 0.26 H new ATOM 72 N LYS A 5 10.092 1.726 3.637 1.00 0.32 N ATOM 73 CA LYS A 5 9.913 2.130 5.025 1.00 0.36 C ATOM 74 C LYS A 5 9.628 3.627 5.121 1.00 0.35 C ATOM 75 O LYS A 5 9.964 4.392 4.217 1.00 0.31 O ATOM 76 CB LYS A 5 11.164 1.757 5.830 1.00 0.39 C ATOM 77 CG LYS A 5 11.650 2.824 6.789 1.00 0.93 C ATOM 78 CD LYS A 5 12.281 2.196 8.009 1.00 0.71 C ATOM 79 CE LYS A 5 11.247 1.880 9.078 1.00 1.55 C ATOM 80 NZ LYS A 5 11.880 1.586 10.392 1.00 1.94 N ATOM 0 H LYS A 5 10.626 2.387 3.073 1.00 0.32 H new ATOM 0 HA LYS A 5 9.054 1.605 5.442 1.00 0.36 H new ATOM 0 HB2 LYS A 5 10.956 0.849 6.396 1.00 0.39 H new ATOM 0 HB3 LYS A 5 11.969 1.522 5.134 1.00 0.39 H new ATOM 0 HG2 LYS A 5 12.374 3.467 6.289 1.00 0.93 H new ATOM 0 HG3 LYS A 5 10.815 3.457 7.090 1.00 0.93 H new ATOM 0 HD2 LYS A 5 12.798 1.281 7.721 1.00 0.71 H new ATOM 0 HD3 LYS A 5 13.033 2.871 8.418 1.00 0.71 H new ATOM 0 HE2 LYS A 5 10.565 2.724 9.184 1.00 1.55 H new ATOM 0 HE3 LYS A 5 10.649 1.025 8.763 1.00 1.55 H new ATOM 0 HZ1 LYS A 5 11.142 1.376 11.094 1.00 1.94 H new ATOM 0 HZ2 LYS A 5 12.512 0.765 10.297 1.00 1.94 H new ATOM 0 HZ3 LYS A 5 12.430 2.411 10.705 1.00 1.94 H new ATOM 94 N GLU A 6 9.019 4.037 6.228 1.00 0.37 N ATOM 95 CA GLU A 6 8.701 5.443 6.451 1.00 0.37 C ATOM 96 C GLU A 6 9.759 6.091 7.338 1.00 0.32 C ATOM 97 O GLU A 6 9.882 5.761 8.518 1.00 0.37 O ATOM 98 CB GLU A 6 7.313 5.581 7.089 1.00 0.45 C ATOM 99 CG GLU A 6 7.068 6.928 7.753 1.00 1.05 C ATOM 100 CD GLU A 6 6.541 6.793 9.169 1.00 2.02 C ATOM 101 OE1 GLU A 6 7.308 6.342 10.046 1.00 2.26 O ATOM 102 OE2 GLU A 6 5.363 7.136 9.399 1.00 2.86 O ATOM 0 H GLU A 6 8.735 3.416 6.985 1.00 0.37 H new ATOM 0 HA GLU A 6 8.693 5.955 5.489 1.00 0.37 H new ATOM 0 HB2 GLU A 6 6.555 5.422 6.322 1.00 0.45 H new ATOM 0 HB3 GLU A 6 7.186 4.793 7.831 1.00 0.45 H new ATOM 0 HG2 GLU A 6 7.998 7.496 7.768 1.00 1.05 H new ATOM 0 HG3 GLU A 6 6.356 7.499 7.157 1.00 1.05 H new ATOM 109 N ALA A 7 10.520 7.014 6.761 1.00 0.27 N ATOM 110 CA ALA A 7 11.569 7.710 7.496 1.00 0.25 C ATOM 111 C ALA A 7 11.364 9.218 7.427 1.00 0.26 C ATOM 112 O ALA A 7 10.632 9.712 6.570 1.00 0.28 O ATOM 113 CB ALA A 7 12.938 7.329 6.951 1.00 0.22 C ATOM 0 H ALA A 7 10.430 7.298 5.785 1.00 0.27 H new ATOM 0 HA ALA A 7 11.517 7.408 8.542 1.00 0.25 H new ATOM 0 HB1 ALA A 7 13.712 7.856 7.509 1.00 0.22 H new ATOM 0 HB2 ALA A 7 13.085 6.254 7.055 1.00 0.22 H new ATOM 0 HB3 ALA A 7 13.000 7.604 5.898 1.00 0.22 H new ATOM 119 N LYS A 8 12.007 9.947 8.333 1.00 0.27 N ATOM 120 CA LYS A 8 11.878 11.398 8.364 1.00 0.31 C ATOM 121 C LYS A 8 13.228 12.054 8.084 1.00 0.31 C ATOM 122 O LYS A 8 14.245 11.666 8.660 1.00 0.29 O ATOM 123 CB LYS A 8 11.355 11.849 9.729 1.00 0.34 C ATOM 124 CG LYS A 8 10.268 12.903 9.647 1.00 0.41 C ATOM 125 CD LYS A 8 8.997 12.448 10.347 1.00 0.51 C ATOM 126 CE LYS A 8 8.254 13.619 10.969 1.00 1.09 C ATOM 127 NZ LYS A 8 6.784 13.394 10.992 1.00 1.32 N ATOM 0 H LYS A 8 12.619 9.559 9.051 1.00 0.27 H new ATOM 0 HA LYS A 8 11.170 11.702 7.593 1.00 0.31 H new ATOM 0 HB2 LYS A 8 10.969 10.982 10.265 1.00 0.34 H new ATOM 0 HB3 LYS A 8 12.186 12.241 10.315 1.00 0.34 H new ATOM 0 HG2 LYS A 8 10.623 13.829 10.100 1.00 0.41 H new ATOM 0 HG3 LYS A 8 10.050 13.122 8.602 1.00 0.41 H new ATOM 0 HD2 LYS A 8 8.348 11.942 9.632 1.00 0.51 H new ATOM 0 HD3 LYS A 8 9.246 11.722 11.121 1.00 0.51 H new ATOM 0 HE2 LYS A 8 8.613 13.778 11.986 1.00 1.09 H new ATOM 0 HE3 LYS A 8 8.473 14.527 10.408 1.00 1.09 H new ATOM 0 HZ1 LYS A 8 6.318 14.080 10.364 1.00 1.32 H new ATOM 0 HZ2 LYS A 8 6.575 12.429 10.666 1.00 1.32 H new ATOM 0 HZ3 LYS A 8 6.429 13.516 11.962 1.00 1.32 H new ATOM 141 N ASP A 9 13.234 13.044 7.199 1.00 0.36 N ATOM 142 CA ASP A 9 14.466 13.745 6.845 1.00 0.39 C ATOM 143 C ASP A 9 15.010 14.533 8.031 1.00 0.42 C ATOM 144 O ASP A 9 14.398 14.573 9.098 1.00 0.43 O ATOM 145 CB ASP A 9 14.220 14.684 5.663 1.00 0.44 C ATOM 146 CG ASP A 9 15.432 14.804 4.759 1.00 0.48 C ATOM 147 OD1 ASP A 9 16.033 13.758 4.432 1.00 0.78 O ATOM 148 OD2 ASP A 9 15.780 15.941 4.379 1.00 0.59 O ATOM 0 H ASP A 9 12.402 13.380 6.713 1.00 0.36 H new ATOM 0 HA ASP A 9 15.208 12.999 6.561 1.00 0.39 H new ATOM 0 HB2 ASP A 9 13.372 14.320 5.083 1.00 0.44 H new ATOM 0 HB3 ASP A 9 13.950 15.672 6.037 1.00 0.44 H new ATOM 153 N ALA A 10 16.166 15.161 7.834 1.00 0.44 N ATOM 154 CA ALA A 10 16.799 15.951 8.882 1.00 0.48 C ATOM 155 C ALA A 10 15.871 17.061 9.363 1.00 0.51 C ATOM 156 O ALA A 10 15.987 17.536 10.493 1.00 0.54 O ATOM 157 CB ALA A 10 18.109 16.540 8.381 1.00 0.51 C ATOM 0 H ALA A 10 16.683 15.137 6.955 1.00 0.44 H new ATOM 0 HA ALA A 10 17.008 15.292 9.725 1.00 0.48 H new ATOM 0 HB1 ALA A 10 18.571 17.128 9.174 1.00 0.51 H new ATOM 0 HB2 ALA A 10 18.782 15.734 8.088 1.00 0.51 H new ATOM 0 HB3 ALA A 10 17.914 17.181 7.521 1.00 0.51 H new ATOM 163 N SER A 11 14.948 17.465 8.497 1.00 0.52 N ATOM 164 CA SER A 11 13.994 18.517 8.828 1.00 0.56 C ATOM 165 C SER A 11 12.699 17.919 9.370 1.00 0.50 C ATOM 166 O SER A 11 11.938 18.593 10.064 1.00 0.61 O ATOM 167 CB SER A 11 13.699 19.373 7.595 1.00 0.71 C ATOM 168 OG SER A 11 14.093 20.718 7.804 1.00 1.00 O ATOM 0 H SER A 11 14.840 17.079 7.559 1.00 0.52 H new ATOM 0 HA SER A 11 14.435 19.148 9.600 1.00 0.56 H new ATOM 0 HB2 SER A 11 14.225 18.966 6.731 1.00 0.71 H new ATOM 0 HB3 SER A 11 12.634 19.334 7.367 1.00 0.71 H new ATOM 0 HG SER A 11 13.896 21.245 7.002 1.00 1.00 H new ATOM 174 N GLY A 12 12.451 16.654 9.042 1.00 0.52 N ATOM 175 CA GLY A 12 11.247 15.993 9.496 1.00 0.47 C ATOM 176 C GLY A 12 10.243 15.774 8.378 1.00 0.53 C ATOM 177 O GLY A 12 9.050 15.604 8.632 1.00 0.59 O ATOM 0 H GLY A 12 13.066 16.077 8.468 1.00 0.52 H new ATOM 0 HA2 GLY A 12 11.509 15.031 9.937 1.00 0.47 H new ATOM 0 HA3 GLY A 12 10.785 16.589 10.283 1.00 0.47 H new ATOM 181 N ARG A 13 10.728 15.773 7.140 1.00 0.56 N ATOM 182 CA ARG A 13 9.868 15.567 5.978 1.00 0.64 C ATOM 183 C ARG A 13 9.651 14.075 5.728 1.00 0.56 C ATOM 184 O ARG A 13 10.561 13.268 5.915 1.00 0.52 O ATOM 185 CB ARG A 13 10.485 16.221 4.740 1.00 0.75 C ATOM 186 CG ARG A 13 11.206 17.528 5.034 1.00 0.87 C ATOM 187 CD ARG A 13 11.974 18.026 3.820 1.00 0.97 C ATOM 188 NE ARG A 13 13.208 18.713 4.193 1.00 1.24 N ATOM 189 CZ ARG A 13 13.710 19.746 3.520 1.00 1.60 C ATOM 190 NH1 ARG A 13 13.091 20.206 2.442 1.00 1.53 N ATOM 191 NH2 ARG A 13 14.837 20.316 3.926 1.00 2.38 N ATOM 0 H ARG A 13 11.713 15.913 6.915 1.00 0.56 H new ATOM 0 HA ARG A 13 8.902 16.030 6.179 1.00 0.64 H new ATOM 0 HB2 ARG A 13 11.187 15.524 4.283 1.00 0.75 H new ATOM 0 HB3 ARG A 13 9.699 16.407 4.008 1.00 0.75 H new ATOM 0 HG2 ARG A 13 10.482 18.282 5.343 1.00 0.87 H new ATOM 0 HG3 ARG A 13 11.894 17.386 5.868 1.00 0.87 H new ATOM 0 HD2 ARG A 13 12.211 17.183 3.171 1.00 0.97 H new ATOM 0 HD3 ARG A 13 11.342 18.703 3.245 1.00 0.97 H new ATOM 0 HE ARG A 13 13.713 18.383 5.015 1.00 1.24 H new ATOM 0 HH11 ARG A 13 12.226 19.768 2.125 1.00 1.53 H new ATOM 0 HH12 ARG A 13 13.480 20.998 1.930 1.00 1.53 H new ATOM 0 HH21 ARG A 13 15.318 19.963 4.753 1.00 2.38 H new ATOM 0 HH22 ARG A 13 15.222 21.108 3.411 1.00 2.38 H new ATOM 205 N ILE A 14 8.433 13.708 5.334 1.00 0.56 N ATOM 206 CA ILE A 14 8.098 12.306 5.095 1.00 0.50 C ATOM 207 C ILE A 14 8.581 11.828 3.728 1.00 0.44 C ATOM 208 O ILE A 14 8.158 12.331 2.688 1.00 0.48 O ATOM 209 CB ILE A 14 6.577 12.062 5.195 1.00 0.55 C ATOM 210 CG1 ILE A 14 5.972 12.879 6.344 1.00 0.68 C ATOM 211 CG2 ILE A 14 6.289 10.576 5.374 1.00 0.55 C ATOM 212 CD1 ILE A 14 6.455 12.460 7.717 1.00 1.13 C ATOM 0 H ILE A 14 7.665 14.359 5.174 1.00 0.56 H new ATOM 0 HA ILE A 14 8.610 11.738 5.872 1.00 0.50 H new ATOM 0 HB ILE A 14 6.111 12.391 4.266 1.00 0.55 H new ATOM 0 HG12 ILE A 14 6.209 13.932 6.192 1.00 0.68 H new ATOM 0 HG13 ILE A 14 4.886 12.789 6.308 1.00 0.68 H new ATOM 0 HG21 ILE A 14 5.212 10.420 5.443 1.00 0.55 H new ATOM 0 HG22 ILE A 14 6.682 10.024 4.520 1.00 0.55 H new ATOM 0 HG23 ILE A 14 6.766 10.220 6.287 1.00 0.55 H new ATOM 0 HD11 ILE A 14 5.982 13.084 8.475 1.00 1.13 H new ATOM 0 HD12 ILE A 14 6.194 11.416 7.892 1.00 1.13 H new ATOM 0 HD13 ILE A 14 7.537 12.577 7.774 1.00 1.13 H new ATOM 224 N TYR A 15 9.465 10.838 3.759 1.00 0.37 N ATOM 225 CA TYR A 15 10.020 10.253 2.542 1.00 0.32 C ATOM 226 C TYR A 15 10.134 8.737 2.670 1.00 0.26 C ATOM 227 O TYR A 15 10.422 8.214 3.747 1.00 0.24 O ATOM 228 CB TYR A 15 11.386 10.869 2.222 1.00 0.32 C ATOM 229 CG TYR A 15 12.517 10.352 3.083 1.00 0.28 C ATOM 230 CD1 TYR A 15 12.676 10.789 4.393 1.00 0.27 C ATOM 231 CD2 TYR A 15 13.430 9.430 2.585 1.00 0.29 C ATOM 232 CE1 TYR A 15 13.710 10.321 5.180 1.00 0.25 C ATOM 233 CE2 TYR A 15 14.468 8.960 3.365 1.00 0.27 C ATOM 234 CZ TYR A 15 14.604 9.408 4.663 1.00 0.24 C ATOM 235 OH TYR A 15 15.636 8.942 5.443 1.00 0.25 O ATOM 0 H TYR A 15 9.816 10.420 4.621 1.00 0.37 H new ATOM 0 HA TYR A 15 9.340 10.475 1.720 1.00 0.32 H new ATOM 0 HB2 TYR A 15 11.623 10.675 1.176 1.00 0.32 H new ATOM 0 HB3 TYR A 15 11.321 11.951 2.339 1.00 0.32 H new ATOM 0 HD1 TYR A 15 11.980 11.506 4.802 1.00 0.27 H new ATOM 0 HD2 TYR A 15 13.326 9.075 1.570 1.00 0.29 H new ATOM 0 HE1 TYR A 15 13.818 10.669 6.197 1.00 0.25 H new ATOM 0 HE2 TYR A 15 15.170 8.245 2.961 1.00 0.27 H new ATOM 0 HH TYR A 15 16.173 8.305 4.928 1.00 0.25 H new ATOM 245 N TYR A 16 9.903 8.035 1.565 1.00 0.25 N ATOM 246 CA TYR A 16 9.979 6.579 1.555 1.00 0.23 C ATOM 247 C TYR A 16 11.387 6.116 1.215 1.00 0.21 C ATOM 248 O TYR A 16 11.978 6.567 0.233 1.00 0.22 O ATOM 249 CB TYR A 16 8.970 6.005 0.556 1.00 0.27 C ATOM 250 CG TYR A 16 7.530 6.317 0.904 1.00 0.25 C ATOM 251 CD1 TYR A 16 7.179 6.735 2.181 1.00 0.40 C ATOM 252 CD2 TYR A 16 6.520 6.190 -0.043 1.00 0.21 C ATOM 253 CE1 TYR A 16 5.869 7.019 2.508 1.00 0.40 C ATOM 254 CE2 TYR A 16 5.205 6.475 0.277 1.00 0.27 C ATOM 255 CZ TYR A 16 4.886 6.889 1.553 1.00 0.30 C ATOM 256 OH TYR A 16 3.578 7.172 1.872 1.00 0.35 O ATOM 0 H TYR A 16 9.662 8.451 0.665 1.00 0.25 H new ATOM 0 HA TYR A 16 9.732 6.213 2.552 1.00 0.23 H new ATOM 0 HB2 TYR A 16 9.189 6.399 -0.436 1.00 0.27 H new ATOM 0 HB3 TYR A 16 9.097 4.924 0.505 1.00 0.27 H new ATOM 0 HD1 TYR A 16 7.947 6.840 2.933 1.00 0.40 H new ATOM 0 HD2 TYR A 16 6.766 5.864 -1.043 1.00 0.21 H new ATOM 0 HE1 TYR A 16 5.616 7.341 3.507 1.00 0.40 H new ATOM 0 HE2 TYR A 16 4.431 6.374 -0.470 1.00 0.27 H new ATOM 0 HH TYR A 16 3.011 7.030 1.085 1.00 0.35 H new ATOM 266 N TYR A 17 11.929 5.223 2.037 1.00 0.21 N ATOM 267 CA TYR A 17 13.275 4.716 1.826 1.00 0.21 C ATOM 268 C TYR A 17 13.276 3.194 1.686 1.00 0.22 C ATOM 269 O TYR A 17 12.747 2.476 2.536 1.00 0.26 O ATOM 270 CB TYR A 17 14.179 5.167 2.982 1.00 0.24 C ATOM 271 CG TYR A 17 15.393 4.292 3.225 1.00 0.23 C ATOM 272 CD1 TYR A 17 16.314 4.061 2.210 1.00 0.27 C ATOM 273 CD2 TYR A 17 15.610 3.687 4.457 1.00 0.34 C ATOM 274 CE1 TYR A 17 17.416 3.256 2.416 1.00 0.35 C ATOM 275 CE2 TYR A 17 16.712 2.882 4.672 1.00 0.42 C ATOM 276 CZ TYR A 17 17.626 2.702 3.692 1.00 0.41 C ATOM 277 OH TYR A 17 18.710 1.865 3.858 1.00 0.54 O ATOM 0 H TYR A 17 11.455 4.837 2.854 1.00 0.21 H new ATOM 0 HA TYR A 17 13.664 5.125 0.893 1.00 0.21 H new ATOM 0 HB2 TYR A 17 14.517 6.184 2.784 1.00 0.24 H new ATOM 0 HB3 TYR A 17 13.585 5.201 3.896 1.00 0.24 H new ATOM 0 HD1 TYR A 17 16.165 4.519 1.244 1.00 0.27 H new ATOM 0 HD2 TYR A 17 14.906 3.849 5.260 1.00 0.34 H new ATOM 0 HE1 TYR A 17 18.106 3.055 1.610 1.00 0.35 H new ATOM 0 HE2 TYR A 17 16.844 2.395 5.627 1.00 0.42 H new ATOM 0 HH TYR A 17 18.742 1.551 4.786 1.00 0.54 H new ATOM 287 N ASN A 18 13.891 2.720 0.609 1.00 0.22 N ATOM 288 CA ASN A 18 13.994 1.292 0.333 1.00 0.28 C ATOM 289 C ASN A 18 15.336 0.763 0.831 1.00 0.29 C ATOM 290 O ASN A 18 16.367 0.982 0.199 1.00 0.32 O ATOM 291 CB ASN A 18 13.865 1.040 -1.172 1.00 0.35 C ATOM 292 CG ASN A 18 13.734 -0.432 -1.509 1.00 0.56 C ATOM 293 OD1 ASN A 18 14.021 -1.300 -0.686 1.00 0.96 O ATOM 294 ND2 ASN A 18 13.296 -0.720 -2.730 1.00 0.50 N ATOM 0 H ASN A 18 14.331 3.312 -0.095 1.00 0.22 H new ATOM 0 HA ASN A 18 13.189 0.772 0.852 1.00 0.28 H new ATOM 0 HB2 ASN A 18 12.995 1.575 -1.553 1.00 0.35 H new ATOM 0 HB3 ASN A 18 14.738 1.449 -1.681 1.00 0.35 H new ATOM 0 HD21 ASN A 18 13.186 -1.693 -3.016 1.00 0.50 H new ATOM 0 HD22 ASN A 18 13.069 0.032 -3.381 1.00 0.50 H new ATOM 301 N THR A 19 15.326 0.073 1.966 1.00 0.39 N ATOM 302 CA THR A 19 16.564 -0.470 2.530 1.00 0.42 C ATOM 303 C THR A 19 16.898 -1.823 1.913 1.00 0.42 C ATOM 304 O THR A 19 17.963 -2.385 2.164 1.00 0.38 O ATOM 305 CB THR A 19 16.493 -0.621 4.069 1.00 0.58 C ATOM 306 OG1 THR A 19 16.627 -2.000 4.434 1.00 0.75 O ATOM 307 CG2 THR A 19 15.185 -0.077 4.631 1.00 0.50 C ATOM 0 H THR A 19 14.487 -0.124 2.511 1.00 0.39 H new ATOM 0 HA THR A 19 17.349 0.248 2.291 1.00 0.42 H new ATOM 0 HB THR A 19 17.313 -0.041 4.492 1.00 0.58 H new ATOM 0 HG1 THR A 19 16.583 -2.086 5.409 1.00 0.75 H new ATOM 0 HG21 THR A 19 15.174 -0.202 5.714 1.00 0.50 H new ATOM 0 HG22 THR A 19 15.096 0.982 4.387 1.00 0.50 H new ATOM 0 HG23 THR A 19 14.347 -0.621 4.195 1.00 0.50 H new ATOM 315 N LEU A 20 15.992 -2.327 1.085 1.00 0.50 N ATOM 316 CA LEU A 20 16.196 -3.602 0.409 1.00 0.56 C ATOM 317 C LEU A 20 17.091 -3.398 -0.803 1.00 0.57 C ATOM 318 O LEU A 20 17.850 -4.281 -1.201 1.00 0.70 O ATOM 319 CB LEU A 20 14.855 -4.176 -0.043 1.00 0.69 C ATOM 320 CG LEU A 20 13.863 -4.559 1.067 1.00 0.80 C ATOM 321 CD1 LEU A 20 13.135 -5.843 0.708 1.00 1.26 C ATOM 322 CD2 LEU A 20 14.548 -4.704 2.420 1.00 0.98 C ATOM 0 H LEU A 20 15.107 -1.871 0.865 1.00 0.50 H new ATOM 0 HA LEU A 20 16.669 -4.299 1.101 1.00 0.56 H new ATOM 0 HB2 LEU A 20 14.374 -3.446 -0.694 1.00 0.69 H new ATOM 0 HB3 LEU A 20 15.050 -5.062 -0.647 1.00 0.69 H new ATOM 0 HG LEU A 20 13.140 -3.747 1.150 1.00 0.80 H new ATOM 0 HD11 LEU A 20 12.437 -6.100 1.504 1.00 1.26 H new ATOM 0 HD12 LEU A 20 12.587 -5.702 -0.224 1.00 1.26 H new ATOM 0 HD13 LEU A 20 13.858 -6.649 0.585 1.00 1.26 H new ATOM 0 HD21 LEU A 20 13.810 -4.975 3.174 1.00 0.98 H new ATOM 0 HD22 LEU A 20 15.309 -5.482 2.361 1.00 0.98 H new ATOM 0 HD23 LEU A 20 15.016 -3.759 2.694 1.00 0.98 H new ATOM 334 N THR A 21 16.995 -2.202 -1.358 1.00 0.52 N ATOM 335 CA THR A 21 17.786 -1.804 -2.513 1.00 0.60 C ATOM 336 C THR A 21 18.709 -0.648 -2.142 1.00 0.52 C ATOM 337 O THR A 21 19.521 -0.197 -2.952 1.00 0.59 O ATOM 338 CB THR A 21 16.887 -1.380 -3.692 1.00 0.74 C ATOM 339 OG1 THR A 21 16.340 -0.078 -3.449 1.00 0.73 O ATOM 340 CG2 THR A 21 15.757 -2.379 -3.894 1.00 0.84 C ATOM 0 H THR A 21 16.364 -1.476 -1.020 1.00 0.52 H new ATOM 0 HA THR A 21 18.378 -2.666 -2.822 1.00 0.60 H new ATOM 0 HB THR A 21 17.497 -1.354 -4.595 1.00 0.74 H new ATOM 0 HG1 THR A 21 15.772 0.184 -4.203 1.00 0.73 H new ATOM 0 HG21 THR A 21 15.135 -2.061 -4.731 1.00 0.84 H new ATOM 0 HG22 THR A 21 16.175 -3.363 -4.106 1.00 0.84 H new ATOM 0 HG23 THR A 21 15.150 -2.430 -2.990 1.00 0.84 H new ATOM 348 N LYS A 22 18.567 -0.177 -0.903 1.00 0.43 N ATOM 349 CA LYS A 22 19.368 0.930 -0.392 1.00 0.43 C ATOM 350 C LYS A 22 19.201 2.174 -1.267 1.00 0.46 C ATOM 351 O LYS A 22 20.178 2.767 -1.724 1.00 0.66 O ATOM 352 CB LYS A 22 20.845 0.533 -0.309 1.00 0.50 C ATOM 353 CG LYS A 22 21.135 -0.534 0.736 1.00 0.58 C ATOM 354 CD LYS A 22 21.594 -1.834 0.096 1.00 1.11 C ATOM 355 CE LYS A 22 23.101 -2.003 0.196 1.00 1.51 C ATOM 356 NZ LYS A 22 23.740 -2.114 -1.147 1.00 2.45 N ATOM 0 H LYS A 22 17.897 -0.551 -0.231 1.00 0.43 H new ATOM 0 HA LYS A 22 19.014 1.167 0.611 1.00 0.43 H new ATOM 0 HB2 LYS A 22 21.170 0.171 -1.284 1.00 0.50 H new ATOM 0 HB3 LYS A 22 21.438 1.419 -0.084 1.00 0.50 H new ATOM 0 HG2 LYS A 22 21.903 -0.174 1.421 1.00 0.58 H new ATOM 0 HG3 LYS A 22 20.239 -0.716 1.329 1.00 0.58 H new ATOM 0 HD2 LYS A 22 21.100 -2.675 0.583 1.00 1.11 H new ATOM 0 HD3 LYS A 22 21.294 -1.851 -0.952 1.00 1.11 H new ATOM 0 HE2 LYS A 22 23.526 -1.154 0.731 1.00 1.51 H new ATOM 0 HE3 LYS A 22 23.328 -2.895 0.781 1.00 1.51 H new ATOM 0 HZ1 LYS A 22 24.768 -2.228 -1.034 1.00 2.45 H new ATOM 0 HZ2 LYS A 22 23.353 -2.939 -1.648 1.00 2.45 H new ATOM 0 HZ3 LYS A 22 23.546 -1.253 -1.696 1.00 2.45 H new ATOM 370 N LYS A 23 17.948 2.560 -1.485 1.00 0.42 N ATOM 371 CA LYS A 23 17.623 3.730 -2.296 1.00 0.47 C ATOM 372 C LYS A 23 16.608 4.612 -1.577 1.00 0.35 C ATOM 373 O LYS A 23 15.848 4.132 -0.742 1.00 0.30 O ATOM 374 CB LYS A 23 17.066 3.295 -3.653 1.00 0.61 C ATOM 375 CG LYS A 23 18.033 2.448 -4.463 1.00 0.96 C ATOM 376 CD LYS A 23 18.228 3.008 -5.862 1.00 1.25 C ATOM 377 CE LYS A 23 18.044 1.936 -6.922 1.00 1.69 C ATOM 378 NZ LYS A 23 18.568 2.368 -8.248 1.00 2.27 N ATOM 0 H LYS A 23 17.134 2.075 -1.108 1.00 0.42 H new ATOM 0 HA LYS A 23 18.536 4.304 -2.454 1.00 0.47 H new ATOM 0 HB2 LYS A 23 16.146 2.732 -3.495 1.00 0.61 H new ATOM 0 HB3 LYS A 23 16.802 4.182 -4.229 1.00 0.61 H new ATOM 0 HG2 LYS A 23 18.994 2.402 -3.951 1.00 0.96 H new ATOM 0 HG3 LYS A 23 17.657 1.427 -4.528 1.00 0.96 H new ATOM 0 HD2 LYS A 23 17.517 3.816 -6.034 1.00 1.25 H new ATOM 0 HD3 LYS A 23 19.226 3.438 -5.947 1.00 1.25 H new ATOM 0 HE2 LYS A 23 18.555 1.025 -6.609 1.00 1.69 H new ATOM 0 HE3 LYS A 23 16.985 1.693 -7.012 1.00 1.69 H new ATOM 0 HZ1 LYS A 23 18.423 1.608 -8.943 1.00 2.27 H new ATOM 0 HZ2 LYS A 23 18.063 3.222 -8.559 1.00 2.27 H new ATOM 0 HZ3 LYS A 23 19.584 2.576 -8.169 1.00 2.27 H new ATOM 392 N SER A 24 16.602 5.902 -1.897 1.00 0.36 N ATOM 393 CA SER A 24 15.676 6.834 -1.263 1.00 0.31 C ATOM 394 C SER A 24 14.754 7.487 -2.288 1.00 0.31 C ATOM 395 O SER A 24 15.132 7.689 -3.441 1.00 0.33 O ATOM 396 CB SER A 24 16.449 7.911 -0.501 1.00 0.42 C ATOM 397 OG SER A 24 17.285 7.337 0.486 1.00 1.22 O ATOM 0 H SER A 24 17.224 6.324 -2.587 1.00 0.36 H new ATOM 0 HA SER A 24 15.060 6.267 -0.564 1.00 0.31 H new ATOM 0 HB2 SER A 24 17.052 8.493 -1.199 1.00 0.42 H new ATOM 0 HB3 SER A 24 15.749 8.602 -0.032 1.00 0.42 H new ATOM 0 HG SER A 24 17.769 8.047 0.958 1.00 1.22 H new ATOM 403 N THR A 25 13.541 7.819 -1.853 1.00 0.30 N ATOM 404 CA THR A 25 12.561 8.455 -2.725 1.00 0.30 C ATOM 405 C THR A 25 11.516 9.212 -1.908 1.00 0.31 C ATOM 406 O THR A 25 11.439 9.065 -0.686 1.00 0.30 O ATOM 407 CB THR A 25 11.854 7.423 -3.631 1.00 0.30 C ATOM 408 OG1 THR A 25 11.356 8.066 -4.810 1.00 0.35 O ATOM 409 CG2 THR A 25 10.708 6.740 -2.898 1.00 0.25 C ATOM 0 H THR A 25 13.214 7.657 -0.900 1.00 0.30 H new ATOM 0 HA THR A 25 13.104 9.158 -3.356 1.00 0.30 H new ATOM 0 HB THR A 25 12.585 6.663 -3.909 1.00 0.30 H new ATOM 0 HG1 THR A 25 10.911 7.405 -5.380 1.00 0.35 H new ATOM 0 HG21 THR A 25 10.230 6.019 -3.561 1.00 0.25 H new ATOM 0 HG22 THR A 25 11.094 6.224 -2.019 1.00 0.25 H new ATOM 0 HG23 THR A 25 9.978 7.487 -2.588 1.00 0.25 H new ATOM 417 N TRP A 26 10.710 10.022 -2.589 1.00 0.35 N ATOM 418 CA TRP A 26 9.670 10.799 -1.924 1.00 0.39 C ATOM 419 C TRP A 26 8.297 10.457 -2.485 1.00 0.43 C ATOM 420 O TRP A 26 7.271 10.766 -1.877 1.00 0.65 O ATOM 421 CB TRP A 26 9.940 12.295 -2.089 1.00 0.45 C ATOM 422 CG TRP A 26 11.266 12.729 -1.543 1.00 0.47 C ATOM 423 CD1 TRP A 26 12.494 12.505 -2.097 1.00 0.46 C ATOM 424 CD2 TRP A 26 11.496 13.461 -0.336 1.00 0.53 C ATOM 425 NE1 TRP A 26 13.474 13.054 -1.306 1.00 0.52 N ATOM 426 CE2 TRP A 26 12.887 13.648 -0.220 1.00 0.56 C ATOM 427 CE3 TRP A 26 10.662 13.979 0.659 1.00 0.59 C ATOM 428 CZ2 TRP A 26 13.459 14.328 0.852 1.00 0.64 C ATOM 429 CZ3 TRP A 26 11.232 14.655 1.720 1.00 0.67 C ATOM 430 CH2 TRP A 26 12.619 14.826 1.808 1.00 0.69 C ATOM 0 H TRP A 26 10.757 10.157 -3.599 1.00 0.35 H new ATOM 0 HA TRP A 26 9.684 10.548 -0.863 1.00 0.39 H new ATOM 0 HB2 TRP A 26 9.891 12.550 -3.148 1.00 0.45 H new ATOM 0 HB3 TRP A 26 9.150 12.856 -1.590 1.00 0.45 H new ATOM 0 HD1 TRP A 26 12.669 11.974 -3.021 1.00 0.46 H new ATOM 0 HE1 TRP A 26 14.476 13.024 -1.496 1.00 0.52 H new ATOM 0 HE3 TRP A 26 9.591 13.853 0.599 1.00 0.59 H new ATOM 0 HZ2 TRP A 26 14.529 14.457 0.925 1.00 0.64 H new ATOM 0 HZ3 TRP A 26 10.597 15.059 2.495 1.00 0.67 H new ATOM 0 HH2 TRP A 26 13.033 15.363 2.649 1.00 0.69 H new ATOM 441 N GLU A 27 8.283 9.821 -3.651 1.00 0.32 N ATOM 442 CA GLU A 27 7.037 9.439 -4.299 1.00 0.32 C ATOM 443 C GLU A 27 6.779 7.948 -4.131 1.00 0.27 C ATOM 444 O GLU A 27 7.656 7.122 -4.382 1.00 0.23 O ATOM 445 CB GLU A 27 7.078 9.798 -5.784 1.00 0.35 C ATOM 446 CG GLU A 27 8.207 9.123 -6.542 1.00 1.24 C ATOM 447 CD GLU A 27 8.015 9.176 -8.045 1.00 1.66 C ATOM 448 OE1 GLU A 27 7.006 8.625 -8.535 1.00 2.07 O ATOM 449 OE2 GLU A 27 8.873 9.768 -8.733 1.00 2.09 O ATOM 0 H GLU A 27 9.123 9.559 -4.167 1.00 0.32 H new ATOM 0 HA GLU A 27 6.224 9.988 -3.825 1.00 0.32 H new ATOM 0 HB2 GLU A 27 6.128 9.522 -6.242 1.00 0.35 H new ATOM 0 HB3 GLU A 27 7.179 10.879 -5.885 1.00 0.35 H new ATOM 0 HG2 GLU A 27 9.151 9.603 -6.283 1.00 1.24 H new ATOM 0 HG3 GLU A 27 8.281 8.083 -6.226 1.00 1.24 H new ATOM 456 N LYS A 28 5.573 7.611 -3.693 1.00 0.29 N ATOM 457 CA LYS A 28 5.196 6.221 -3.478 1.00 0.26 C ATOM 458 C LYS A 28 5.357 5.393 -4.752 1.00 0.23 C ATOM 459 O LYS A 28 4.801 5.731 -5.795 1.00 0.24 O ATOM 460 CB LYS A 28 3.751 6.138 -2.987 1.00 0.32 C ATOM 461 CG LYS A 28 3.448 4.876 -2.198 1.00 0.31 C ATOM 462 CD LYS A 28 1.970 4.771 -1.869 1.00 0.43 C ATOM 463 CE LYS A 28 1.743 4.569 -0.380 1.00 0.44 C ATOM 464 NZ LYS A 28 0.535 5.293 0.101 1.00 0.90 N ATOM 0 H LYS A 28 4.837 8.284 -3.479 1.00 0.29 H new ATOM 0 HA LYS A 28 5.863 5.810 -2.720 1.00 0.26 H new ATOM 0 HB2 LYS A 28 3.538 7.006 -2.363 1.00 0.32 H new ATOM 0 HB3 LYS A 28 3.081 6.189 -3.845 1.00 0.32 H new ATOM 0 HG2 LYS A 28 3.758 4.003 -2.772 1.00 0.31 H new ATOM 0 HG3 LYS A 28 4.029 4.873 -1.276 1.00 0.31 H new ATOM 0 HD2 LYS A 28 1.458 5.676 -2.196 1.00 0.43 H new ATOM 0 HD3 LYS A 28 1.532 3.940 -2.421 1.00 0.43 H new ATOM 0 HE2 LYS A 28 1.636 3.505 -0.170 1.00 0.44 H new ATOM 0 HE3 LYS A 28 2.617 4.916 0.171 1.00 0.44 H new ATOM 0 HZ1 LYS A 28 0.416 5.130 1.121 1.00 0.90 H new ATOM 0 HZ2 LYS A 28 0.648 6.312 -0.076 1.00 0.90 H new ATOM 0 HZ3 LYS A 28 -0.303 4.944 -0.406 1.00 0.90 H new ATOM 478 N PRO A 29 6.118 4.287 -4.676 1.00 0.25 N ATOM 479 CA PRO A 29 6.337 3.398 -5.821 1.00 0.25 C ATOM 480 C PRO A 29 5.101 2.557 -6.118 1.00 0.25 C ATOM 481 O PRO A 29 4.419 2.116 -5.195 1.00 0.24 O ATOM 482 CB PRO A 29 7.485 2.502 -5.362 1.00 0.27 C ATOM 483 CG PRO A 29 7.403 2.495 -3.875 1.00 0.54 C ATOM 484 CD PRO A 29 6.814 3.814 -3.465 1.00 0.33 C ATOM 0 HA PRO A 29 6.552 3.948 -6.737 1.00 0.25 H new ATOM 0 HB2 PRO A 29 7.385 1.495 -5.767 1.00 0.27 H new ATOM 0 HB3 PRO A 29 8.446 2.888 -5.702 1.00 0.27 H new ATOM 0 HG2 PRO A 29 6.782 1.670 -3.526 1.00 0.54 H new ATOM 0 HG3 PRO A 29 8.391 2.359 -3.434 1.00 0.54 H new ATOM 0 HD2 PRO A 29 6.125 3.700 -2.628 1.00 0.33 H new ATOM 0 HD3 PRO A 29 7.587 4.515 -3.149 1.00 0.33 H new ATOM 492 N LYS A 30 4.776 2.387 -7.398 1.00 0.29 N ATOM 493 CA LYS A 30 3.576 1.651 -7.802 1.00 0.31 C ATOM 494 C LYS A 30 3.376 0.332 -7.052 1.00 0.27 C ATOM 495 O LYS A 30 2.254 0.024 -6.670 1.00 0.25 O ATOM 496 CB LYS A 30 3.592 1.379 -9.309 1.00 0.40 C ATOM 497 CG LYS A 30 4.446 2.351 -10.110 1.00 0.91 C ATOM 498 CD LYS A 30 4.246 2.163 -11.604 1.00 1.38 C ATOM 499 CE LYS A 30 5.541 1.767 -12.295 1.00 2.15 C ATOM 500 NZ LYS A 30 5.593 0.307 -12.584 1.00 2.96 N ATOM 0 H LYS A 30 5.327 2.749 -8.176 1.00 0.29 H new ATOM 0 HA LYS A 30 2.737 2.295 -7.540 1.00 0.31 H new ATOM 0 HB2 LYS A 30 3.957 0.366 -9.480 1.00 0.40 H new ATOM 0 HB3 LYS A 30 2.569 1.417 -9.684 1.00 0.40 H new ATOM 0 HG2 LYS A 30 4.192 3.374 -9.833 1.00 0.91 H new ATOM 0 HG3 LYS A 30 5.497 2.205 -9.861 1.00 0.91 H new ATOM 0 HD2 LYS A 30 3.491 1.396 -11.777 1.00 1.38 H new ATOM 0 HD3 LYS A 30 3.868 3.087 -12.040 1.00 1.38 H new ATOM 0 HE2 LYS A 30 5.641 2.325 -13.226 1.00 2.15 H new ATOM 0 HE3 LYS A 30 6.387 2.043 -11.666 1.00 2.15 H new ATOM 0 HZ1 LYS A 30 6.491 0.078 -13.055 1.00 2.96 H new ATOM 0 HZ2 LYS A 30 5.523 -0.226 -11.694 1.00 2.96 H new ATOM 0 HZ3 LYS A 30 4.800 0.048 -13.205 1.00 2.96 H new ATOM 514 N GLU A 31 4.430 -0.460 -6.842 1.00 0.27 N ATOM 515 CA GLU A 31 4.280 -1.735 -6.136 1.00 0.27 C ATOM 516 C GLU A 31 3.823 -1.507 -4.696 1.00 0.23 C ATOM 517 O GLU A 31 3.209 -2.373 -4.074 1.00 0.26 O ATOM 518 CB GLU A 31 5.610 -2.502 -6.160 1.00 0.34 C ATOM 519 CG GLU A 31 5.935 -3.236 -4.867 1.00 1.06 C ATOM 520 CD GLU A 31 6.720 -4.512 -5.100 1.00 1.66 C ATOM 521 OE1 GLU A 31 7.822 -4.434 -5.679 1.00 1.54 O ATOM 522 OE2 GLU A 31 6.229 -5.591 -4.704 1.00 2.45 O ATOM 0 H GLU A 31 5.381 -0.247 -7.144 1.00 0.27 H new ATOM 0 HA GLU A 31 3.518 -2.327 -6.643 1.00 0.27 H new ATOM 0 HB2 GLU A 31 5.585 -3.223 -6.977 1.00 0.34 H new ATOM 0 HB3 GLU A 31 6.416 -1.801 -6.378 1.00 0.34 H new ATOM 0 HG2 GLU A 31 6.507 -2.577 -4.214 1.00 1.06 H new ATOM 0 HG3 GLU A 31 5.008 -3.475 -4.347 1.00 1.06 H new ATOM 529 N LEU A 32 4.122 -0.322 -4.195 1.00 0.22 N ATOM 530 CA LEU A 32 3.752 0.075 -2.844 1.00 0.24 C ATOM 531 C LEU A 32 2.337 0.660 -2.837 1.00 0.25 C ATOM 532 O LEU A 32 1.681 0.740 -1.799 1.00 0.39 O ATOM 533 CB LEU A 32 4.782 1.092 -2.335 1.00 0.36 C ATOM 534 CG LEU A 32 5.154 1.014 -0.849 1.00 0.49 C ATOM 535 CD1 LEU A 32 4.388 2.056 -0.063 1.00 0.37 C ATOM 536 CD2 LEU A 32 4.909 -0.378 -0.276 1.00 1.19 C ATOM 0 H LEU A 32 4.629 0.395 -4.713 1.00 0.22 H new ATOM 0 HA LEU A 32 3.751 -0.790 -2.181 1.00 0.24 H new ATOM 0 HB2 LEU A 32 5.694 0.974 -2.920 1.00 0.36 H new ATOM 0 HB3 LEU A 32 4.400 2.093 -2.538 1.00 0.36 H new ATOM 0 HG LEU A 32 6.221 1.217 -0.762 1.00 0.49 H new ATOM 0 HD11 LEU A 32 4.661 1.990 0.990 1.00 0.37 H new ATOM 0 HD12 LEU A 32 4.633 3.049 -0.440 1.00 0.37 H new ATOM 0 HD13 LEU A 32 3.318 1.880 -0.172 1.00 0.37 H new ATOM 0 HD21 LEU A 32 5.185 -0.391 0.778 1.00 1.19 H new ATOM 0 HD22 LEU A 32 3.854 -0.633 -0.378 1.00 1.19 H new ATOM 0 HD23 LEU A 32 5.512 -1.106 -0.818 1.00 1.19 H new ATOM 548 N ILE A 33 1.891 1.056 -4.025 1.00 0.26 N ATOM 549 CA ILE A 33 0.560 1.628 -4.216 1.00 0.28 C ATOM 550 C ILE A 33 -0.450 0.577 -4.672 1.00 0.27 C ATOM 551 O ILE A 33 -1.654 0.715 -4.456 1.00 0.32 O ATOM 552 CB ILE A 33 0.583 2.754 -5.270 1.00 0.30 C ATOM 553 CG1 ILE A 33 1.653 3.789 -4.936 1.00 0.30 C ATOM 554 CG2 ILE A 33 -0.782 3.417 -5.374 1.00 0.31 C ATOM 555 CD1 ILE A 33 2.202 4.494 -6.155 1.00 0.36 C ATOM 0 H ILE A 33 2.440 0.990 -4.882 1.00 0.26 H new ATOM 0 HA ILE A 33 0.259 2.026 -3.247 1.00 0.28 H new ATOM 0 HB ILE A 33 0.827 2.309 -6.235 1.00 0.30 H new ATOM 0 HG12 ILE A 33 1.233 4.529 -4.255 1.00 0.30 H new ATOM 0 HG13 ILE A 33 2.471 3.299 -4.409 1.00 0.30 H new ATOM 0 HG21 ILE A 33 -0.746 4.209 -6.122 1.00 0.31 H new ATOM 0 HG22 ILE A 33 -1.525 2.675 -5.666 1.00 0.31 H new ATOM 0 HG23 ILE A 33 -1.054 3.843 -4.408 1.00 0.31 H new ATOM 0 HD11 ILE A 33 2.958 5.216 -5.848 1.00 0.36 H new ATOM 0 HD12 ILE A 33 2.651 3.763 -6.827 1.00 0.36 H new ATOM 0 HD13 ILE A 33 1.393 5.012 -6.671 1.00 0.36 H new ATOM 567 N SER A 34 0.051 -0.448 -5.346 1.00 0.24 N ATOM 568 CA SER A 34 -0.788 -1.506 -5.894 1.00 0.25 C ATOM 569 C SER A 34 -1.088 -2.619 -4.911 1.00 0.25 C ATOM 570 O SER A 34 -1.963 -3.429 -5.169 1.00 0.26 O ATOM 571 CB SER A 34 -0.185 -2.084 -7.165 1.00 0.25 C ATOM 572 OG SER A 34 1.156 -2.493 -6.962 1.00 0.26 O ATOM 0 H SER A 34 1.047 -0.570 -5.528 1.00 0.24 H new ATOM 0 HA SER A 34 -1.740 -1.028 -6.127 1.00 0.25 H new ATOM 0 HB2 SER A 34 -0.780 -2.935 -7.497 1.00 0.25 H new ATOM 0 HB3 SER A 34 -0.223 -1.338 -7.959 1.00 0.25 H new ATOM 0 HG SER A 34 1.739 -1.706 -6.947 1.00 0.26 H new ATOM 578 N GLN A 35 -0.347 -2.694 -3.819 1.00 0.23 N ATOM 579 CA GLN A 35 -0.570 -3.748 -2.835 1.00 0.23 C ATOM 580 C GLN A 35 -1.756 -3.404 -1.937 1.00 0.23 C ATOM 581 O GLN A 35 -2.727 -4.157 -1.852 1.00 0.24 O ATOM 582 CB GLN A 35 0.687 -3.952 -1.986 1.00 0.23 C ATOM 583 CG GLN A 35 0.488 -4.898 -0.813 1.00 0.28 C ATOM 584 CD GLN A 35 1.243 -6.202 -0.983 1.00 0.36 C ATOM 585 OE1 GLN A 35 2.471 -6.236 -0.903 1.00 0.56 O ATOM 586 NE2 GLN A 35 0.509 -7.284 -1.218 1.00 0.65 N ATOM 0 H GLN A 35 0.407 -2.047 -3.589 1.00 0.23 H new ATOM 0 HA GLN A 35 -0.794 -4.673 -3.367 1.00 0.23 H new ATOM 0 HB2 GLN A 35 1.484 -4.338 -2.621 1.00 0.23 H new ATOM 0 HB3 GLN A 35 1.020 -2.985 -1.609 1.00 0.23 H new ATOM 0 HG2 GLN A 35 0.817 -4.409 0.104 1.00 0.28 H new ATOM 0 HG3 GLN A 35 -0.575 -5.110 -0.698 1.00 0.28 H new ATOM 0 HE21 GLN A 35 -0.507 -7.209 -1.276 1.00 0.65 H new ATOM 0 HE22 GLN A 35 0.961 -8.190 -1.340 1.00 0.65 H new ATOM 595 N GLU A 36 -1.655 -2.268 -1.258 1.00 0.23 N ATOM 596 CA GLU A 36 -2.707 -1.817 -0.347 1.00 0.24 C ATOM 597 C GLU A 36 -4.052 -1.762 -1.059 1.00 0.23 C ATOM 598 O GLU A 36 -5.096 -2.041 -0.468 1.00 0.24 O ATOM 599 CB GLU A 36 -2.362 -0.443 0.230 1.00 0.26 C ATOM 600 CG GLU A 36 -1.876 -0.492 1.669 1.00 1.04 C ATOM 601 CD GLU A 36 -0.738 0.473 1.934 1.00 1.71 C ATOM 602 OE1 GLU A 36 -0.637 1.485 1.208 1.00 2.12 O ATOM 603 OE2 GLU A 36 0.051 0.220 2.869 1.00 2.41 O ATOM 0 H GLU A 36 -0.854 -1.639 -1.319 1.00 0.23 H new ATOM 0 HA GLU A 36 -2.777 -2.535 0.470 1.00 0.24 H new ATOM 0 HB2 GLU A 36 -1.593 0.019 -0.389 1.00 0.26 H new ATOM 0 HB3 GLU A 36 -3.243 0.197 0.174 1.00 0.26 H new ATOM 0 HG2 GLU A 36 -2.706 -0.261 2.337 1.00 1.04 H new ATOM 0 HG3 GLU A 36 -1.550 -1.505 1.904 1.00 1.04 H new ATOM 610 N GLU A 37 -4.013 -1.407 -2.334 1.00 0.23 N ATOM 611 CA GLU A 37 -5.216 -1.316 -3.149 1.00 0.25 C ATOM 612 C GLU A 37 -5.801 -2.701 -3.404 1.00 0.24 C ATOM 613 O GLU A 37 -7.008 -2.859 -3.608 1.00 0.26 O ATOM 614 CB GLU A 37 -4.871 -0.648 -4.485 1.00 0.26 C ATOM 615 CG GLU A 37 -5.465 0.734 -4.653 1.00 0.31 C ATOM 616 CD GLU A 37 -6.892 0.700 -5.165 1.00 0.33 C ATOM 617 OE1 GLU A 37 -7.820 0.634 -4.330 1.00 0.80 O ATOM 618 OE2 GLU A 37 -7.082 0.740 -6.398 1.00 0.99 O ATOM 0 H GLU A 37 -3.153 -1.175 -2.831 1.00 0.23 H new ATOM 0 HA GLU A 37 -5.958 -0.721 -2.617 1.00 0.25 H new ATOM 0 HB2 GLU A 37 -3.787 -0.580 -4.576 1.00 0.26 H new ATOM 0 HB3 GLU A 37 -5.220 -1.284 -5.298 1.00 0.26 H new ATOM 0 HG2 GLU A 37 -5.439 1.255 -3.696 1.00 0.31 H new ATOM 0 HG3 GLU A 37 -4.849 1.308 -5.345 1.00 0.31 H new ATOM 625 N LEU A 38 -4.923 -3.693 -3.421 1.00 0.24 N ATOM 626 CA LEU A 38 -5.293 -5.064 -3.686 1.00 0.26 C ATOM 627 C LEU A 38 -5.836 -5.739 -2.441 1.00 0.27 C ATOM 628 O LEU A 38 -6.563 -6.717 -2.538 1.00 0.30 O ATOM 629 CB LEU A 38 -4.066 -5.806 -4.227 1.00 0.26 C ATOM 630 CG LEU A 38 -4.325 -7.192 -4.815 1.00 0.32 C ATOM 631 CD1 LEU A 38 -4.584 -8.178 -3.701 1.00 0.60 C ATOM 632 CD2 LEU A 38 -5.493 -7.162 -5.789 1.00 0.69 C ATOM 0 H LEU A 38 -3.926 -3.561 -3.249 1.00 0.24 H new ATOM 0 HA LEU A 38 -6.090 -5.087 -4.429 1.00 0.26 H new ATOM 0 HB2 LEU A 38 -3.603 -5.188 -4.996 1.00 0.26 H new ATOM 0 HB3 LEU A 38 -3.341 -5.906 -3.419 1.00 0.26 H new ATOM 0 HG LEU A 38 -3.441 -7.507 -5.369 1.00 0.32 H new ATOM 0 HD11 LEU A 38 -4.768 -9.165 -4.125 1.00 0.60 H new ATOM 0 HD12 LEU A 38 -3.715 -8.221 -3.044 1.00 0.60 H new ATOM 0 HD13 LEU A 38 -5.456 -7.860 -3.129 1.00 0.60 H new ATOM 0 HD21 LEU A 38 -5.656 -8.161 -6.193 1.00 0.69 H new ATOM 0 HD22 LEU A 38 -6.392 -6.830 -5.269 1.00 0.69 H new ATOM 0 HD23 LEU A 38 -5.270 -6.473 -6.604 1.00 0.69 H new ATOM 644 N LEU A 39 -5.512 -5.207 -1.275 1.00 0.25 N ATOM 645 CA LEU A 39 -6.029 -5.777 -0.043 1.00 0.26 C ATOM 646 C LEU A 39 -7.376 -5.159 0.220 1.00 0.26 C ATOM 647 O LEU A 39 -8.306 -5.811 0.689 1.00 0.27 O ATOM 648 CB LEU A 39 -5.071 -5.531 1.124 1.00 0.27 C ATOM 649 CG LEU A 39 -3.602 -5.818 0.820 1.00 0.33 C ATOM 650 CD1 LEU A 39 -2.697 -4.989 1.717 1.00 0.34 C ATOM 651 CD2 LEU A 39 -3.307 -7.302 0.982 1.00 0.40 C ATOM 0 H LEU A 39 -4.905 -4.396 -1.155 1.00 0.25 H new ATOM 0 HA LEU A 39 -6.127 -6.858 -0.143 1.00 0.26 H new ATOM 0 HB2 LEU A 39 -5.166 -4.492 1.440 1.00 0.27 H new ATOM 0 HB3 LEU A 39 -5.381 -6.150 1.966 1.00 0.27 H new ATOM 0 HG LEU A 39 -3.403 -5.538 -0.215 1.00 0.33 H new ATOM 0 HD11 LEU A 39 -1.655 -5.208 1.485 1.00 0.34 H new ATOM 0 HD12 LEU A 39 -2.891 -3.929 1.550 1.00 0.34 H new ATOM 0 HD13 LEU A 39 -2.895 -5.234 2.760 1.00 0.34 H new ATOM 0 HD21 LEU A 39 -2.256 -7.490 0.762 1.00 0.40 H new ATOM 0 HD22 LEU A 39 -3.523 -7.606 2.006 1.00 0.40 H new ATOM 0 HD23 LEU A 39 -3.930 -7.874 0.294 1.00 0.40 H new ATOM 663 N LEU A 40 -7.466 -3.896 -0.145 1.00 0.24 N ATOM 664 CA LEU A 40 -8.688 -3.148 -0.019 1.00 0.25 C ATOM 665 C LEU A 40 -9.800 -3.918 -0.718 1.00 0.27 C ATOM 666 O LEU A 40 -10.832 -4.225 -0.124 1.00 0.29 O ATOM 667 CB LEU A 40 -8.485 -1.777 -0.661 1.00 0.25 C ATOM 668 CG LEU A 40 -8.654 -0.564 0.265 1.00 0.27 C ATOM 669 CD1 LEU A 40 -8.125 -0.861 1.662 1.00 0.28 C ATOM 670 CD2 LEU A 40 -7.938 0.644 -0.320 1.00 0.29 C ATOM 0 H LEU A 40 -6.689 -3.364 -0.537 1.00 0.24 H new ATOM 0 HA LEU A 40 -8.961 -3.009 1.027 1.00 0.25 H new ATOM 0 HB2 LEU A 40 -7.483 -1.744 -1.090 1.00 0.25 H new ATOM 0 HB3 LEU A 40 -9.189 -1.678 -1.488 1.00 0.25 H new ATOM 0 HG LEU A 40 -9.719 -0.345 0.346 1.00 0.27 H new ATOM 0 HD11 LEU A 40 -8.258 0.016 2.295 1.00 0.28 H new ATOM 0 HD12 LEU A 40 -8.673 -1.702 2.087 1.00 0.28 H new ATOM 0 HD13 LEU A 40 -7.065 -1.110 1.605 1.00 0.28 H new ATOM 0 HD21 LEU A 40 -8.064 1.499 0.345 1.00 0.29 H new ATOM 0 HD22 LEU A 40 -6.876 0.421 -0.427 1.00 0.29 H new ATOM 0 HD23 LEU A 40 -8.360 0.879 -1.297 1.00 0.29 H new ATOM 682 N ARG A 41 -9.568 -4.210 -1.996 1.00 0.28 N ATOM 683 CA ARG A 41 -10.508 -4.928 -2.838 1.00 0.33 C ATOM 684 C ARG A 41 -11.057 -6.175 -2.164 1.00 0.35 C ATOM 685 O ARG A 41 -12.265 -6.346 -2.001 1.00 0.36 O ATOM 686 CB ARG A 41 -9.764 -5.343 -4.097 1.00 0.34 C ATOM 687 CG ARG A 41 -10.458 -4.930 -5.372 1.00 0.78 C ATOM 688 CD ARG A 41 -10.061 -5.809 -6.546 1.00 1.44 C ATOM 689 NE ARG A 41 -10.953 -5.626 -7.688 1.00 2.09 N ATOM 690 CZ ARG A 41 -10.962 -4.537 -8.451 1.00 2.87 C ATOM 691 NH1 ARG A 41 -10.118 -3.543 -8.203 1.00 3.32 N ATOM 692 NH2 ARG A 41 -11.811 -4.439 -9.465 1.00 3.63 N ATOM 0 H ARG A 41 -8.708 -3.948 -2.478 1.00 0.28 H new ATOM 0 HA ARG A 41 -11.354 -4.275 -3.051 1.00 0.33 H new ATOM 0 HB2 ARG A 41 -8.765 -4.907 -4.079 1.00 0.34 H new ATOM 0 HB3 ARG A 41 -9.639 -6.426 -4.095 1.00 0.34 H new ATOM 0 HG2 ARG A 41 -11.538 -4.980 -5.230 1.00 0.78 H new ATOM 0 HG3 ARG A 41 -10.214 -3.892 -5.598 1.00 0.78 H new ATOM 0 HD2 ARG A 41 -9.038 -5.578 -6.843 1.00 1.44 H new ATOM 0 HD3 ARG A 41 -10.075 -6.855 -6.238 1.00 1.44 H new ATOM 0 HE ARG A 41 -11.606 -6.376 -7.913 1.00 2.09 H new ATOM 0 HH11 ARG A 41 -9.461 -3.614 -7.426 1.00 3.32 H new ATOM 0 HH12 ARG A 41 -10.126 -2.708 -8.789 1.00 3.32 H new ATOM 0 HH21 ARG A 41 -12.460 -5.201 -9.662 1.00 3.63 H new ATOM 0 HH22 ARG A 41 -11.815 -3.602 -10.048 1.00 3.63 H new ATOM 706 N GLU A 42 -10.134 -7.046 -1.818 1.00 0.38 N ATOM 707 CA GLU A 42 -10.424 -8.327 -1.186 1.00 0.41 C ATOM 708 C GLU A 42 -11.431 -8.201 -0.045 1.00 0.37 C ATOM 709 O GLU A 42 -12.056 -9.186 0.347 1.00 0.43 O ATOM 710 CB GLU A 42 -9.119 -8.937 -0.668 1.00 0.45 C ATOM 711 CG GLU A 42 -8.651 -10.140 -1.463 1.00 0.60 C ATOM 712 CD GLU A 42 -8.139 -11.261 -0.579 1.00 0.73 C ATOM 713 OE1 GLU A 42 -8.802 -11.568 0.434 1.00 0.85 O ATOM 714 OE2 GLU A 42 -7.075 -11.832 -0.900 1.00 1.14 O ATOM 0 H GLU A 42 -9.138 -6.886 -1.969 1.00 0.38 H new ATOM 0 HA GLU A 42 -10.875 -8.975 -1.937 1.00 0.41 H new ATOM 0 HB2 GLU A 42 -8.340 -8.175 -0.686 1.00 0.45 H new ATOM 0 HB3 GLU A 42 -9.254 -9.231 0.373 1.00 0.45 H new ATOM 0 HG2 GLU A 42 -9.475 -10.511 -2.073 1.00 0.60 H new ATOM 0 HG3 GLU A 42 -7.861 -9.833 -2.148 1.00 0.60 H new ATOM 721 N ASN A 43 -11.594 -6.992 0.486 1.00 0.35 N ATOM 722 CA ASN A 43 -12.536 -6.772 1.576 1.00 0.34 C ATOM 723 C ASN A 43 -13.655 -5.817 1.158 1.00 0.35 C ATOM 724 O ASN A 43 -14.725 -5.803 1.769 1.00 0.37 O ATOM 725 CB ASN A 43 -11.806 -6.248 2.812 1.00 0.30 C ATOM 726 CG ASN A 43 -10.461 -6.912 3.012 1.00 0.30 C ATOM 727 OD1 ASN A 43 -9.402 -6.115 2.951 1.00 0.39 O flip ATOM 728 ND2 ASN A 43 -10.374 -8.122 3.219 1.00 0.28 N flip ATOM 0 H ASN A 43 -11.091 -6.158 0.182 1.00 0.35 H new ATOM 0 HA ASN A 43 -12.996 -7.728 1.825 1.00 0.34 H new ATOM 0 HB2 ASN A 43 -11.666 -5.171 2.719 1.00 0.30 H new ATOM 0 HB3 ASN A 43 -12.425 -6.414 3.694 1.00 0.30 H new ATOM 0 HD21 ASN A 43 -11.217 -8.695 3.257 1.00 0.28 H new ATOM 0 HD22 ASN A 43 -9.459 -8.552 3.352 1.00 0.28 H new ATOM 735 N GLY A 44 -13.418 -5.038 0.101 1.00 0.35 N ATOM 736 CA GLY A 44 -14.439 -4.120 -0.382 1.00 0.39 C ATOM 737 C GLY A 44 -14.220 -2.672 0.028 1.00 0.37 C ATOM 738 O GLY A 44 -15.185 -1.950 0.266 1.00 0.40 O ATOM 0 H GLY A 44 -12.544 -5.026 -0.425 1.00 0.35 H new ATOM 0 HA2 GLY A 44 -14.477 -4.176 -1.470 1.00 0.39 H new ATOM 0 HA3 GLY A 44 -15.411 -4.448 -0.012 1.00 0.39 H new ATOM 742 N TRP A 45 -12.967 -2.233 0.100 1.00 0.34 N ATOM 743 CA TRP A 45 -12.677 -0.849 0.479 1.00 0.36 C ATOM 744 C TRP A 45 -11.954 -0.101 -0.637 1.00 0.39 C ATOM 745 O TRP A 45 -11.500 -0.698 -1.613 1.00 0.43 O ATOM 746 CB TRP A 45 -11.827 -0.798 1.752 1.00 0.34 C ATOM 747 CG TRP A 45 -12.435 -1.511 2.918 1.00 0.32 C ATOM 748 CD1 TRP A 45 -12.616 -2.854 3.046 1.00 0.55 C ATOM 749 CD2 TRP A 45 -12.939 -0.921 4.123 1.00 0.27 C ATOM 750 NE1 TRP A 45 -13.194 -3.143 4.258 1.00 0.59 N ATOM 751 CE2 TRP A 45 -13.406 -1.972 4.936 1.00 0.44 C ATOM 752 CE3 TRP A 45 -13.039 0.391 4.592 1.00 0.34 C ATOM 753 CZ2 TRP A 45 -13.964 -1.748 6.193 1.00 0.54 C ATOM 754 CZ3 TRP A 45 -13.595 0.611 5.838 1.00 0.51 C ATOM 755 CH2 TRP A 45 -14.051 -0.452 6.626 1.00 0.56 C ATOM 0 H TRP A 45 -12.145 -2.804 -0.096 1.00 0.34 H new ATOM 0 HA TRP A 45 -13.635 -0.363 0.663 1.00 0.36 H new ATOM 0 HB2 TRP A 45 -10.850 -1.233 1.542 1.00 0.34 H new ATOM 0 HB3 TRP A 45 -11.660 0.244 2.023 1.00 0.34 H new ATOM 0 HD1 TRP A 45 -12.344 -3.587 2.301 1.00 0.55 H new ATOM 0 HE1 TRP A 45 -13.427 -4.076 4.597 1.00 0.59 H new ATOM 0 HE3 TRP A 45 -12.688 1.218 3.992 1.00 0.34 H new ATOM 0 HZ2 TRP A 45 -14.315 -2.567 6.803 1.00 0.54 H new ATOM 0 HZ3 TRP A 45 -13.679 1.621 6.210 1.00 0.51 H new ATOM 0 HH2 TRP A 45 -14.480 -0.246 7.595 1.00 0.56 H new ATOM 766 N LYS A 46 -11.836 1.212 -0.461 1.00 0.41 N ATOM 767 CA LYS A 46 -11.150 2.067 -1.423 1.00 0.50 C ATOM 768 C LYS A 46 -10.498 3.239 -0.707 1.00 0.51 C ATOM 769 O LYS A 46 -10.736 3.463 0.479 1.00 0.47 O ATOM 770 CB LYS A 46 -12.095 2.565 -2.515 1.00 0.59 C ATOM 771 CG LYS A 46 -13.126 3.563 -2.041 1.00 1.22 C ATOM 772 CD LYS A 46 -13.324 4.672 -3.061 1.00 1.73 C ATOM 773 CE LYS A 46 -12.608 5.945 -2.645 1.00 2.80 C ATOM 774 NZ LYS A 46 -12.762 7.026 -3.656 1.00 3.65 N ATOM 0 H LYS A 46 -12.210 1.710 0.347 1.00 0.41 H new ATOM 0 HA LYS A 46 -10.378 1.470 -1.909 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -11.504 3.021 -3.310 1.00 0.59 H new ATOM 0 HB3 LYS A 46 -12.610 1.709 -2.951 1.00 0.59 H new ATOM 0 HG2 LYS A 46 -14.074 3.055 -1.863 1.00 1.22 H new ATOM 0 HG3 LYS A 46 -12.811 3.992 -1.090 1.00 1.22 H new ATOM 0 HD2 LYS A 46 -12.952 4.345 -4.032 1.00 1.73 H new ATOM 0 HD3 LYS A 46 -14.389 4.874 -3.178 1.00 1.73 H new ATOM 0 HE2 LYS A 46 -13.001 6.286 -1.687 1.00 2.80 H new ATOM 0 HE3 LYS A 46 -11.549 5.734 -2.498 1.00 2.80 H new ATOM 0 HZ1 LYS A 46 -11.868 7.549 -3.744 1.00 3.65 H new ATOM 0 HZ2 LYS A 46 -13.010 6.608 -4.576 1.00 3.65 H new ATOM 0 HZ3 LYS A 46 -13.516 7.677 -3.356 1.00 3.65 H new ATOM 788 N ALA A 47 -9.661 3.971 -1.425 1.00 0.58 N ATOM 789 CA ALA A 47 -8.957 5.109 -0.838 1.00 0.63 C ATOM 790 C ALA A 47 -9.372 6.439 -1.462 1.00 0.70 C ATOM 791 O ALA A 47 -9.440 6.574 -2.683 1.00 0.75 O ATOM 792 CB ALA A 47 -7.456 4.916 -0.966 1.00 0.71 C ATOM 0 H ALA A 47 -9.451 3.802 -2.409 1.00 0.58 H new ATOM 0 HA ALA A 47 -9.233 5.150 0.216 1.00 0.63 H new ATOM 0 HB1 ALA A 47 -6.941 5.769 -0.526 1.00 0.71 H new ATOM 0 HB2 ALA A 47 -7.161 4.005 -0.445 1.00 0.71 H new ATOM 0 HB3 ALA A 47 -7.188 4.835 -2.019 1.00 0.71 H new ATOM 798 N ALA A 48 -9.635 7.420 -0.602 1.00 0.74 N ATOM 799 CA ALA A 48 -10.032 8.752 -1.037 1.00 0.84 C ATOM 800 C ALA A 48 -9.517 9.799 -0.056 1.00 0.94 C ATOM 801 O ALA A 48 -8.925 9.460 0.967 1.00 0.92 O ATOM 802 CB ALA A 48 -11.546 8.841 -1.159 1.00 0.79 C ATOM 0 H ALA A 48 -9.579 7.313 0.411 1.00 0.74 H new ATOM 0 HA ALA A 48 -9.595 8.944 -2.017 1.00 0.84 H new ATOM 0 HB1 ALA A 48 -11.827 9.843 -1.485 1.00 0.79 H new ATOM 0 HB2 ALA A 48 -11.896 8.111 -1.889 1.00 0.79 H new ATOM 0 HB3 ALA A 48 -12.002 8.634 -0.191 1.00 0.79 H new ATOM 808 N LYS A 49 -9.756 11.069 -0.361 1.00 1.06 N ATOM 809 CA LYS A 49 -9.324 12.152 0.515 1.00 1.18 C ATOM 810 C LYS A 49 -10.460 13.141 0.736 1.00 1.27 C ATOM 811 O LYS A 49 -11.400 13.211 -0.057 1.00 1.27 O ATOM 812 CB LYS A 49 -8.106 12.875 -0.061 1.00 1.31 C ATOM 813 CG LYS A 49 -7.073 13.258 0.987 1.00 1.36 C ATOM 814 CD LYS A 49 -5.671 13.301 0.400 1.00 1.44 C ATOM 815 CE LYS A 49 -5.216 11.929 -0.073 1.00 1.33 C ATOM 816 NZ LYS A 49 -3.732 11.827 -0.136 1.00 1.82 N ATOM 0 H LYS A 49 -10.244 11.373 -1.203 1.00 1.06 H new ATOM 0 HA LYS A 49 -9.041 11.715 1.473 1.00 1.18 H new ATOM 0 HB2 LYS A 49 -7.634 12.236 -0.807 1.00 1.31 H new ATOM 0 HB3 LYS A 49 -8.439 13.776 -0.577 1.00 1.31 H new ATOM 0 HG2 LYS A 49 -7.323 14.233 1.406 1.00 1.36 H new ATOM 0 HG3 LYS A 49 -7.103 12.541 1.808 1.00 1.36 H new ATOM 0 HD2 LYS A 49 -5.648 14.000 -0.436 1.00 1.44 H new ATOM 0 HD3 LYS A 49 -4.974 13.677 1.149 1.00 1.44 H new ATOM 0 HE2 LYS A 49 -5.604 11.166 0.601 1.00 1.33 H new ATOM 0 HE3 LYS A 49 -5.636 11.727 -1.058 1.00 1.33 H new ATOM 0 HZ1 LYS A 49 -3.453 11.371 -1.028 1.00 1.82 H new ATOM 0 HZ2 LYS A 49 -3.316 12.779 -0.090 1.00 1.82 H new ATOM 0 HZ3 LYS A 49 -3.389 11.260 0.665 1.00 1.82 H new ATOM 830 N THR A 50 -10.370 13.900 1.820 1.00 1.36 N ATOM 831 CA THR A 50 -11.389 14.880 2.157 1.00 1.47 C ATOM 832 C THR A 50 -11.034 16.252 1.596 1.00 1.62 C ATOM 833 O THR A 50 -9.988 16.425 0.969 1.00 1.64 O ATOM 834 CB THR A 50 -11.552 15.001 3.681 1.00 1.47 C ATOM 835 OG1 THR A 50 -10.441 15.714 4.231 1.00 1.51 O ATOM 836 CG2 THR A 50 -11.663 13.628 4.327 1.00 1.34 C ATOM 0 H THR A 50 -9.596 13.854 2.483 1.00 1.36 H new ATOM 0 HA THR A 50 -12.324 14.536 1.715 1.00 1.47 H new ATOM 0 HB THR A 50 -12.471 15.549 3.888 1.00 1.47 H new ATOM 0 HG1 THR A 50 -10.717 16.161 5.058 1.00 1.51 H new ATOM 0 HG21 THR A 50 -11.777 13.741 5.405 1.00 1.34 H new ATOM 0 HG22 THR A 50 -12.530 13.105 3.923 1.00 1.34 H new ATOM 0 HG23 THR A 50 -10.761 13.053 4.116 1.00 1.34 H new ATOM 844 N ALA A 51 -11.898 17.231 1.846 1.00 1.74 N ATOM 845 CA ALA A 51 -11.658 18.593 1.382 1.00 1.90 C ATOM 846 C ALA A 51 -10.557 19.238 2.212 1.00 2.01 C ATOM 847 O ALA A 51 -10.130 20.362 1.945 1.00 2.29 O ATOM 848 CB ALA A 51 -12.935 19.415 1.460 1.00 1.99 C ATOM 0 H ALA A 51 -12.767 17.107 2.365 1.00 1.74 H new ATOM 0 HA ALA A 51 -11.338 18.558 0.341 1.00 1.90 H new ATOM 0 HB1 ALA A 51 -12.737 20.428 1.110 1.00 1.99 H new ATOM 0 HB2 ALA A 51 -13.701 18.958 0.834 1.00 1.99 H new ATOM 0 HB3 ALA A 51 -13.283 19.449 2.492 1.00 1.99 H new ATOM 854 N ASP A 52 -10.099 18.503 3.221 1.00 1.82 N ATOM 855 CA ASP A 52 -9.041 18.972 4.105 1.00 1.90 C ATOM 856 C ASP A 52 -7.785 18.124 3.935 1.00 1.81 C ATOM 857 O ASP A 52 -6.919 18.101 4.810 1.00 1.82 O ATOM 858 CB ASP A 52 -9.510 18.934 5.560 1.00 1.92 C ATOM 859 CG ASP A 52 -9.740 20.319 6.132 1.00 2.03 C ATOM 860 OD1 ASP A 52 -10.775 20.932 5.804 1.00 1.97 O ATOM 861 OD2 ASP A 52 -8.882 20.791 6.907 1.00 2.45 O ATOM 0 H ASP A 52 -10.449 17.572 3.447 1.00 1.82 H new ATOM 0 HA ASP A 52 -8.802 20.002 3.839 1.00 1.90 H new ATOM 0 HB2 ASP A 52 -10.434 18.359 5.626 1.00 1.92 H new ATOM 0 HB3 ASP A 52 -8.767 18.414 6.164 1.00 1.92 H new ATOM 866 N GLY A 53 -7.699 17.426 2.807 1.00 1.73 N ATOM 867 CA GLY A 53 -6.552 16.581 2.545 1.00 1.66 C ATOM 868 C GLY A 53 -6.500 15.388 3.475 1.00 1.53 C ATOM 869 O GLY A 53 -5.468 14.726 3.589 1.00 1.55 O ATOM 0 H GLY A 53 -8.404 17.432 2.070 1.00 1.73 H new ATOM 0 HA2 GLY A 53 -6.586 16.234 1.512 1.00 1.66 H new ATOM 0 HA3 GLY A 53 -5.639 17.166 2.655 1.00 1.66 H new ATOM 873 N LYS A 54 -7.621 15.102 4.126 1.00 1.43 N ATOM 874 CA LYS A 54 -7.698 13.966 5.034 1.00 1.32 C ATOM 875 C LYS A 54 -7.862 12.678 4.241 1.00 1.19 C ATOM 876 O LYS A 54 -8.859 12.487 3.549 1.00 1.20 O ATOM 877 CB LYS A 54 -8.848 14.127 6.030 1.00 1.33 C ATOM 878 CG LYS A 54 -8.428 14.773 7.340 1.00 1.57 C ATOM 879 CD LYS A 54 -9.281 15.989 7.659 1.00 1.57 C ATOM 880 CE LYS A 54 -8.722 16.764 8.839 1.00 1.53 C ATOM 881 NZ LYS A 54 -9.799 17.247 9.749 1.00 1.92 N ATOM 0 H LYS A 54 -8.485 15.638 4.042 1.00 1.43 H new ATOM 0 HA LYS A 54 -6.769 13.921 5.603 1.00 1.32 H new ATOM 0 HB2 LYS A 54 -9.633 14.729 5.572 1.00 1.33 H new ATOM 0 HB3 LYS A 54 -9.278 13.147 6.238 1.00 1.33 H new ATOM 0 HG2 LYS A 54 -8.511 14.047 8.148 1.00 1.57 H new ATOM 0 HG3 LYS A 54 -7.380 15.067 7.282 1.00 1.57 H new ATOM 0 HD2 LYS A 54 -9.331 16.639 6.786 1.00 1.57 H new ATOM 0 HD3 LYS A 54 -10.300 15.672 7.880 1.00 1.57 H new ATOM 0 HE2 LYS A 54 -8.034 16.129 9.397 1.00 1.53 H new ATOM 0 HE3 LYS A 54 -8.147 17.615 8.474 1.00 1.53 H new ATOM 0 HZ1 LYS A 54 -9.375 17.771 10.541 1.00 1.92 H new ATOM 0 HZ2 LYS A 54 -10.442 17.874 9.224 1.00 1.92 H new ATOM 0 HZ3 LYS A 54 -10.332 16.434 10.118 1.00 1.92 H new ATOM 895 N VAL A 55 -6.885 11.788 4.356 1.00 1.09 N ATOM 896 CA VAL A 55 -6.939 10.517 3.651 1.00 0.99 C ATOM 897 C VAL A 55 -7.787 9.525 4.434 1.00 0.88 C ATOM 898 O VAL A 55 -7.516 9.256 5.604 1.00 0.90 O ATOM 899 CB VAL A 55 -5.535 9.917 3.431 1.00 0.98 C ATOM 900 CG1 VAL A 55 -5.559 8.916 2.285 1.00 0.93 C ATOM 901 CG2 VAL A 55 -4.517 11.016 3.169 1.00 1.14 C ATOM 0 H VAL A 55 -6.051 11.923 4.927 1.00 1.09 H new ATOM 0 HA VAL A 55 -7.384 10.707 2.674 1.00 0.99 H new ATOM 0 HB VAL A 55 -5.238 9.391 4.338 1.00 0.98 H new ATOM 0 HG11 VAL A 55 -4.561 8.502 2.143 1.00 0.93 H new ATOM 0 HG12 VAL A 55 -6.256 8.111 2.519 1.00 0.93 H new ATOM 0 HG13 VAL A 55 -5.878 9.417 1.371 1.00 0.93 H new ATOM 0 HG21 VAL A 55 -3.533 10.572 3.016 1.00 1.14 H new ATOM 0 HG22 VAL A 55 -4.805 11.574 2.278 1.00 1.14 H new ATOM 0 HG23 VAL A 55 -4.482 11.691 4.024 1.00 1.14 H new ATOM 911 N TYR A 56 -8.818 8.989 3.793 1.00 0.80 N ATOM 912 CA TYR A 56 -9.700 8.040 4.452 1.00 0.74 C ATOM 913 C TYR A 56 -10.160 6.940 3.503 1.00 0.63 C ATOM 914 O TYR A 56 -10.418 7.184 2.323 1.00 0.62 O ATOM 915 CB TYR A 56 -10.913 8.773 5.040 1.00 0.85 C ATOM 916 CG TYR A 56 -12.024 9.032 4.042 1.00 0.89 C ATOM 917 CD1 TYR A 56 -11.891 10.002 3.052 1.00 0.97 C ATOM 918 CD2 TYR A 56 -13.208 8.307 4.094 1.00 0.89 C ATOM 919 CE1 TYR A 56 -12.908 10.237 2.146 1.00 1.02 C ATOM 920 CE2 TYR A 56 -14.227 8.538 3.190 1.00 0.93 C ATOM 921 CZ TYR A 56 -14.073 9.503 2.219 1.00 0.98 C ATOM 922 OH TYR A 56 -15.086 9.736 1.319 1.00 1.03 O ATOM 0 H TYR A 56 -9.061 9.195 2.824 1.00 0.80 H new ATOM 0 HA TYR A 56 -9.137 7.566 5.256 1.00 0.74 H new ATOM 0 HB2 TYR A 56 -11.312 8.186 5.868 1.00 0.85 H new ATOM 0 HB3 TYR A 56 -10.582 9.725 5.455 1.00 0.85 H new ATOM 0 HD1 TYR A 56 -10.980 10.579 2.991 1.00 0.97 H new ATOM 0 HD2 TYR A 56 -13.334 7.550 4.854 1.00 0.89 H new ATOM 0 HE1 TYR A 56 -12.791 10.993 1.384 1.00 1.02 H new ATOM 0 HE2 TYR A 56 -15.140 7.964 3.244 1.00 0.93 H new ATOM 0 HH TYR A 56 -15.836 9.134 1.507 1.00 1.03 H new ATOM 932 N TYR A 57 -10.272 5.729 4.037 1.00 0.58 N ATOM 933 CA TYR A 57 -10.717 4.579 3.259 1.00 0.48 C ATOM 934 C TYR A 57 -12.136 4.207 3.671 1.00 0.45 C ATOM 935 O TYR A 57 -12.486 4.306 4.845 1.00 0.47 O ATOM 936 CB TYR A 57 -9.772 3.392 3.469 1.00 0.43 C ATOM 937 CG TYR A 57 -8.307 3.771 3.418 1.00 0.44 C ATOM 938 CD1 TYR A 57 -7.632 4.171 4.565 1.00 0.49 C ATOM 939 CD2 TYR A 57 -7.602 3.734 2.222 1.00 0.45 C ATOM 940 CE1 TYR A 57 -6.296 4.523 4.521 1.00 0.51 C ATOM 941 CE2 TYR A 57 -6.265 4.083 2.172 1.00 0.48 C ATOM 942 CZ TYR A 57 -5.619 4.478 3.322 1.00 0.49 C ATOM 943 OH TYR A 57 -4.288 4.827 3.274 1.00 0.54 O ATOM 0 H TYR A 57 -10.059 5.518 5.012 1.00 0.58 H new ATOM 0 HA TYR A 57 -10.707 4.838 2.200 1.00 0.48 H new ATOM 0 HB2 TYR A 57 -9.987 2.933 4.434 1.00 0.43 H new ATOM 0 HB3 TYR A 57 -9.971 2.639 2.706 1.00 0.43 H new ATOM 0 HD1 TYR A 57 -8.160 4.207 5.506 1.00 0.49 H new ATOM 0 HD2 TYR A 57 -8.106 3.428 1.317 1.00 0.45 H new ATOM 0 HE1 TYR A 57 -5.786 4.832 5.421 1.00 0.51 H new ATOM 0 HE2 TYR A 57 -5.730 4.046 1.235 1.00 0.48 H new ATOM 0 HH TYR A 57 -3.960 4.740 2.355 1.00 0.54 H new ATOM 953 N TYR A 58 -12.955 3.786 2.716 1.00 0.41 N ATOM 954 CA TYR A 58 -14.335 3.419 3.029 1.00 0.41 C ATOM 955 C TYR A 58 -14.816 2.220 2.213 1.00 0.35 C ATOM 956 O TYR A 58 -14.378 2.002 1.082 1.00 0.34 O ATOM 957 CB TYR A 58 -15.265 4.625 2.827 1.00 0.46 C ATOM 958 CG TYR A 58 -15.806 4.780 1.423 1.00 0.45 C ATOM 959 CD1 TYR A 58 -15.076 5.445 0.445 1.00 0.45 C ATOM 960 CD2 TYR A 58 -17.041 4.252 1.073 1.00 0.47 C ATOM 961 CE1 TYR A 58 -15.564 5.583 -0.841 1.00 0.46 C ATOM 962 CE2 TYR A 58 -17.534 4.383 -0.211 1.00 0.48 C ATOM 963 CZ TYR A 58 -16.808 5.081 -1.154 1.00 0.47 C ATOM 964 OH TYR A 58 -17.281 5.181 -2.443 1.00 0.50 O ATOM 0 H TYR A 58 -12.697 3.690 1.734 1.00 0.41 H new ATOM 0 HA TYR A 58 -14.363 3.120 4.077 1.00 0.41 H new ATOM 0 HB2 TYR A 58 -16.104 4.539 3.517 1.00 0.46 H new ATOM 0 HB3 TYR A 58 -14.724 5.532 3.095 1.00 0.46 H new ATOM 0 HD1 TYR A 58 -14.111 5.861 0.694 1.00 0.45 H new ATOM 0 HD2 TYR A 58 -17.626 3.730 1.816 1.00 0.47 H new ATOM 0 HE1 TYR A 58 -14.974 6.081 -1.596 1.00 0.46 H new ATOM 0 HE2 TYR A 58 -18.483 3.941 -0.475 1.00 0.48 H new ATOM 0 HH TYR A 58 -18.172 4.777 -2.497 1.00 0.50 H new ATOM 974 N ASN A 59 -15.725 1.450 2.810 1.00 0.34 N ATOM 975 CA ASN A 59 -16.290 0.266 2.168 1.00 0.32 C ATOM 976 C ASN A 59 -17.684 0.577 1.612 1.00 0.35 C ATOM 977 O ASN A 59 -18.635 0.762 2.372 1.00 0.41 O ATOM 978 CB ASN A 59 -16.363 -0.883 3.179 1.00 0.33 C ATOM 979 CG ASN A 59 -16.762 -2.201 2.546 1.00 0.33 C ATOM 980 OD1 ASN A 59 -17.879 -2.353 2.058 1.00 0.44 O ATOM 981 ND2 ASN A 59 -15.849 -3.168 2.556 1.00 0.46 N ATOM 0 H ASN A 59 -16.088 1.628 3.746 1.00 0.34 H new ATOM 0 HA ASN A 59 -15.648 -0.031 1.339 1.00 0.32 H new ATOM 0 HB2 ASN A 59 -15.393 -0.997 3.663 1.00 0.33 H new ATOM 0 HB3 ASN A 59 -17.080 -0.629 3.959 1.00 0.33 H new ATOM 0 HD21 ASN A 59 -16.065 -4.078 2.148 1.00 0.46 H new ATOM 0 HD22 ASN A 59 -14.933 -3.000 2.972 1.00 0.46 H new ATOM 988 N PRO A 60 -17.820 0.656 0.273 1.00 0.36 N ATOM 989 CA PRO A 60 -19.099 0.968 -0.384 1.00 0.42 C ATOM 990 C PRO A 60 -20.131 -0.150 -0.259 1.00 0.45 C ATOM 991 O PRO A 60 -21.273 0.006 -0.692 1.00 0.46 O ATOM 992 CB PRO A 60 -18.719 1.169 -1.859 1.00 0.47 C ATOM 993 CG PRO A 60 -17.230 1.266 -1.884 1.00 0.43 C ATOM 994 CD PRO A 60 -16.743 0.473 -0.709 1.00 0.36 C ATOM 0 HA PRO A 60 -19.569 1.837 0.077 1.00 0.42 H new ATOM 0 HB2 PRO A 60 -19.067 0.336 -2.470 1.00 0.47 H new ATOM 0 HB3 PRO A 60 -19.177 2.073 -2.261 1.00 0.47 H new ATOM 0 HG2 PRO A 60 -16.829 0.868 -2.816 1.00 0.43 H new ATOM 0 HG3 PRO A 60 -16.906 2.304 -1.815 1.00 0.43 H new ATOM 0 HD2 PRO A 60 -16.599 -0.578 -0.961 1.00 0.36 H new ATOM 0 HD3 PRO A 60 -15.788 0.845 -0.337 1.00 0.36 H new ATOM 1002 N THR A 61 -19.731 -1.275 0.324 1.00 0.47 N ATOM 1003 CA THR A 61 -20.638 -2.408 0.487 1.00 0.53 C ATOM 1004 C THR A 61 -21.373 -2.346 1.827 1.00 0.58 C ATOM 1005 O THR A 61 -22.543 -2.720 1.919 1.00 0.64 O ATOM 1006 CB THR A 61 -19.884 -3.754 0.353 1.00 0.53 C ATOM 1007 OG1 THR A 61 -20.340 -4.452 -0.813 1.00 0.96 O ATOM 1008 CG2 THR A 61 -20.076 -4.642 1.579 1.00 0.81 C ATOM 0 H THR A 61 -18.791 -1.428 0.690 1.00 0.47 H new ATOM 0 HA THR A 61 -21.377 -2.346 -0.312 1.00 0.53 H new ATOM 0 HB THR A 61 -18.822 -3.526 0.266 1.00 0.53 H new ATOM 0 HG1 THR A 61 -19.859 -5.302 -0.894 1.00 0.96 H new ATOM 0 HG21 THR A 61 -19.530 -5.575 1.441 1.00 0.81 H new ATOM 0 HG22 THR A 61 -19.699 -4.128 2.463 1.00 0.81 H new ATOM 0 HG23 THR A 61 -21.136 -4.858 1.709 1.00 0.81 H new ATOM 1016 N THR A 62 -20.683 -1.873 2.861 1.00 0.57 N ATOM 1017 CA THR A 62 -21.275 -1.768 4.191 1.00 0.65 C ATOM 1018 C THR A 62 -21.401 -0.309 4.627 1.00 0.65 C ATOM 1019 O THR A 62 -21.845 -0.019 5.738 1.00 0.72 O ATOM 1020 CB THR A 62 -20.446 -2.539 5.239 1.00 0.67 C ATOM 1021 OG1 THR A 62 -20.751 -2.074 6.559 1.00 0.66 O ATOM 1022 CG2 THR A 62 -18.960 -2.379 4.971 1.00 0.73 C ATOM 0 H THR A 62 -19.715 -1.557 2.804 1.00 0.57 H new ATOM 0 HA THR A 62 -22.269 -2.211 4.129 1.00 0.65 H new ATOM 0 HB THR A 62 -20.705 -3.595 5.164 1.00 0.67 H new ATOM 0 HG1 THR A 62 -21.587 -1.564 6.541 1.00 0.66 H new ATOM 0 HG21 THR A 62 -18.394 -2.930 5.721 1.00 0.73 H new ATOM 0 HG22 THR A 62 -18.725 -2.768 3.980 1.00 0.73 H new ATOM 0 HG23 THR A 62 -18.693 -1.323 5.019 1.00 0.73 H new ATOM 1030 N ARG A 63 -20.996 0.605 3.749 1.00 0.58 N ATOM 1031 CA ARG A 63 -21.051 2.031 4.054 1.00 0.59 C ATOM 1032 C ARG A 63 -20.214 2.325 5.294 1.00 0.60 C ATOM 1033 O ARG A 63 -20.622 3.084 6.175 1.00 0.62 O ATOM 1034 CB ARG A 63 -22.496 2.486 4.274 1.00 0.67 C ATOM 1035 CG ARG A 63 -23.281 2.668 2.985 1.00 0.80 C ATOM 1036 CD ARG A 63 -23.161 4.089 2.458 1.00 1.42 C ATOM 1037 NE ARG A 63 -24.376 4.866 2.689 1.00 2.00 N ATOM 1038 CZ ARG A 63 -25.158 5.323 1.716 1.00 2.29 C ATOM 1039 NH1 ARG A 63 -24.854 5.080 0.448 1.00 2.24 N ATOM 1040 NH2 ARG A 63 -26.246 6.020 2.012 1.00 3.10 N ATOM 0 H ARG A 63 -20.627 0.384 2.824 1.00 0.58 H new ATOM 0 HA ARG A 63 -20.646 2.583 3.206 1.00 0.59 H new ATOM 0 HB2 ARG A 63 -23.007 1.755 4.900 1.00 0.67 H new ATOM 0 HB3 ARG A 63 -22.492 3.428 4.823 1.00 0.67 H new ATOM 0 HG2 ARG A 63 -22.917 1.968 2.233 1.00 0.80 H new ATOM 0 HG3 ARG A 63 -24.330 2.431 3.160 1.00 0.80 H new ATOM 0 HD2 ARG A 63 -22.318 4.584 2.940 1.00 1.42 H new ATOM 0 HD3 ARG A 63 -22.946 4.062 1.390 1.00 1.42 H new ATOM 0 HE ARG A 63 -24.640 5.070 3.653 1.00 2.00 H new ATOM 0 HH11 ARG A 63 -24.019 4.542 0.218 1.00 2.24 H new ATOM 0 HH12 ARG A 63 -25.455 5.432 -0.297 1.00 2.24 H new ATOM 0 HH21 ARG A 63 -26.483 6.206 2.986 1.00 3.10 H new ATOM 0 HH22 ARG A 63 -26.846 6.371 1.265 1.00 3.10 H new ATOM 1054 N GLU A 64 -19.040 1.708 5.349 1.00 0.60 N ATOM 1055 CA GLU A 64 -18.130 1.882 6.474 1.00 0.62 C ATOM 1056 C GLU A 64 -17.086 2.948 6.172 1.00 0.56 C ATOM 1057 O GLU A 64 -16.713 3.155 5.019 1.00 0.62 O ATOM 1058 CB GLU A 64 -17.443 0.559 6.810 1.00 0.59 C ATOM 1059 CG GLU A 64 -18.200 -0.297 7.819 1.00 0.79 C ATOM 1060 CD GLU A 64 -19.280 0.469 8.562 1.00 1.62 C ATOM 1061 OE1 GLU A 64 -18.947 1.155 9.550 1.00 1.85 O ATOM 1062 OE2 GLU A 64 -20.458 0.381 8.154 1.00 2.43 O ATOM 0 H GLU A 64 -18.695 1.080 4.624 1.00 0.60 H new ATOM 0 HA GLU A 64 -18.715 2.208 7.334 1.00 0.62 H new ATOM 0 HB2 GLU A 64 -17.311 -0.013 5.892 1.00 0.59 H new ATOM 0 HB3 GLU A 64 -16.447 0.768 7.202 1.00 0.59 H new ATOM 0 HG2 GLU A 64 -18.654 -1.142 7.301 1.00 0.79 H new ATOM 0 HG3 GLU A 64 -17.493 -0.708 8.540 1.00 0.79 H new ATOM 1069 N THR A 65 -16.626 3.623 7.219 1.00 0.68 N ATOM 1070 CA THR A 65 -15.627 4.675 7.066 1.00 0.64 C ATOM 1071 C THR A 65 -14.480 4.503 8.055 1.00 0.63 C ATOM 1072 O THR A 65 -14.693 4.422 9.266 1.00 0.69 O ATOM 1073 CB THR A 65 -16.248 6.072 7.254 1.00 0.77 C ATOM 1074 OG1 THR A 65 -17.404 5.988 8.096 1.00 0.91 O ATOM 1075 CG2 THR A 65 -16.634 6.675 5.911 1.00 0.67 C ATOM 0 H THR A 65 -16.927 3.462 8.180 1.00 0.68 H new ATOM 0 HA THR A 65 -15.238 4.590 6.051 1.00 0.64 H new ATOM 0 HB THR A 65 -15.505 6.716 7.725 1.00 0.77 H new ATOM 0 HG1 THR A 65 -17.791 6.881 8.211 1.00 0.91 H new ATOM 0 HG21 THR A 65 -17.071 7.661 6.067 1.00 0.67 H new ATOM 0 HG22 THR A 65 -15.747 6.766 5.284 1.00 0.67 H new ATOM 0 HG23 THR A 65 -17.362 6.030 5.418 1.00 0.67 H new ATOM 1083 N SER A 66 -13.264 4.451 7.524 1.00 0.55 N ATOM 1084 CA SER A 66 -12.066 4.289 8.341 1.00 0.55 C ATOM 1085 C SER A 66 -11.044 5.372 8.012 1.00 0.56 C ATOM 1086 O SER A 66 -11.066 5.949 6.925 1.00 0.56 O ATOM 1087 CB SER A 66 -11.449 2.908 8.116 1.00 0.48 C ATOM 1088 OG SER A 66 -10.614 2.539 9.200 1.00 1.09 O ATOM 0 H SER A 66 -13.081 4.519 6.523 1.00 0.55 H new ATOM 0 HA SER A 66 -12.353 4.382 9.389 1.00 0.55 H new ATOM 0 HB2 SER A 66 -12.240 2.168 7.994 1.00 0.48 H new ATOM 0 HB3 SER A 66 -10.871 2.911 7.192 1.00 0.48 H new ATOM 0 HG SER A 66 -9.715 2.337 8.866 1.00 1.09 H new ATOM 1094 N TRP A 67 -10.150 5.644 8.957 1.00 0.63 N ATOM 1095 CA TRP A 67 -9.122 6.660 8.763 1.00 0.68 C ATOM 1096 C TRP A 67 -7.777 6.024 8.421 1.00 0.62 C ATOM 1097 O TRP A 67 -6.771 6.719 8.275 1.00 0.68 O ATOM 1098 CB TRP A 67 -8.992 7.527 10.015 1.00 0.77 C ATOM 1099 CG TRP A 67 -10.190 8.393 10.260 1.00 0.90 C ATOM 1100 CD1 TRP A 67 -11.248 8.117 11.080 1.00 0.97 C ATOM 1101 CD2 TRP A 67 -10.457 9.673 9.677 1.00 1.00 C ATOM 1102 NE1 TRP A 67 -12.155 9.148 11.041 1.00 1.09 N ATOM 1103 CE2 TRP A 67 -11.692 10.115 10.188 1.00 1.11 C ATOM 1104 CE3 TRP A 67 -9.770 10.489 8.772 1.00 1.06 C ATOM 1105 CZ2 TRP A 67 -12.253 11.338 9.824 1.00 1.23 C ATOM 1106 CZ3 TRP A 67 -10.327 11.701 8.414 1.00 1.21 C ATOM 1107 CH2 TRP A 67 -11.558 12.115 8.938 1.00 1.28 C ATOM 0 H TRP A 67 -10.117 5.176 9.863 1.00 0.63 H new ATOM 0 HA TRP A 67 -9.423 7.289 7.925 1.00 0.68 H new ATOM 0 HB2 TRP A 67 -8.834 6.883 10.880 1.00 0.77 H new ATOM 0 HB3 TRP A 67 -8.108 8.158 9.922 1.00 0.77 H new ATOM 0 HD1 TRP A 67 -11.355 7.220 11.672 1.00 0.97 H new ATOM 0 HE1 TRP A 67 -13.031 9.187 11.562 1.00 1.09 H new ATOM 0 HE3 TRP A 67 -8.821 10.177 8.361 1.00 1.06 H new ATOM 0 HZ2 TRP A 67 -13.202 11.660 10.227 1.00 1.23 H new ATOM 0 HZ3 TRP A 67 -9.804 12.340 7.718 1.00 1.21 H new ATOM 0 HH2 TRP A 67 -11.967 13.068 8.636 1.00 1.28 H new ATOM 1118 N THR A 68 -7.767 4.700 8.292 1.00 0.54 N ATOM 1119 CA THR A 68 -6.545 3.973 7.964 1.00 0.50 C ATOM 1120 C THR A 68 -6.854 2.558 7.491 1.00 0.45 C ATOM 1121 O THR A 68 -7.835 1.952 7.924 1.00 0.44 O ATOM 1122 CB THR A 68 -5.586 3.898 9.167 1.00 0.50 C ATOM 1123 OG1 THR A 68 -4.779 2.718 9.081 1.00 1.17 O ATOM 1124 CG2 THR A 68 -6.363 3.891 10.476 1.00 1.42 C ATOM 0 H THR A 68 -8.590 4.110 8.410 1.00 0.54 H new ATOM 0 HA THR A 68 -6.062 4.527 7.159 1.00 0.50 H new ATOM 0 HB THR A 68 -4.943 4.778 9.146 1.00 0.50 H new ATOM 0 HG1 THR A 68 -4.172 2.680 9.849 1.00 1.17 H new ATOM 0 HG21 THR A 68 -5.666 3.838 11.312 1.00 1.42 H new ATOM 0 HG22 THR A 68 -6.954 4.804 10.553 1.00 1.42 H new ATOM 0 HG23 THR A 68 -7.026 3.026 10.501 1.00 1.42 H new ATOM 1132 N ILE A 69 -6.012 2.036 6.601 1.00 0.43 N ATOM 1133 CA ILE A 69 -6.190 0.692 6.069 1.00 0.39 C ATOM 1134 C ILE A 69 -6.382 -0.328 7.190 1.00 0.35 C ATOM 1135 O ILE A 69 -5.448 -0.633 7.931 1.00 0.35 O ATOM 1136 CB ILE A 69 -4.989 0.268 5.209 1.00 0.44 C ATOM 1137 CG1 ILE A 69 -4.837 1.215 4.016 1.00 0.57 C ATOM 1138 CG2 ILE A 69 -5.126 -1.179 4.756 1.00 0.38 C ATOM 1139 CD1 ILE A 69 -5.439 0.705 2.732 1.00 0.62 C ATOM 0 H ILE A 69 -5.197 2.528 6.234 1.00 0.43 H new ATOM 0 HA ILE A 69 -7.086 0.716 5.448 1.00 0.39 H new ATOM 0 HB ILE A 69 -4.085 0.333 5.815 1.00 0.44 H new ATOM 0 HG12 ILE A 69 -5.300 2.170 4.265 1.00 0.57 H new ATOM 0 HG13 ILE A 69 -3.776 1.407 3.854 1.00 0.57 H new ATOM 0 HG21 ILE A 69 -4.263 -1.454 4.149 1.00 0.38 H new ATOM 0 HG22 ILE A 69 -5.178 -1.830 5.629 1.00 0.38 H new ATOM 0 HG23 ILE A 69 -6.035 -1.291 4.165 1.00 0.38 H new ATOM 0 HD11 ILE A 69 -5.285 1.439 1.941 1.00 0.62 H new ATOM 0 HD12 ILE A 69 -4.961 -0.234 2.454 1.00 0.62 H new ATOM 0 HD13 ILE A 69 -6.507 0.540 2.871 1.00 0.62 H new ATOM 1151 N PRO A 70 -7.602 -0.872 7.316 1.00 0.36 N ATOM 1152 CA PRO A 70 -7.920 -1.869 8.342 1.00 0.37 C ATOM 1153 C PRO A 70 -6.964 -3.058 8.293 1.00 0.38 C ATOM 1154 O PRO A 70 -6.464 -3.416 7.227 1.00 0.41 O ATOM 1155 CB PRO A 70 -9.342 -2.317 7.992 1.00 0.37 C ATOM 1156 CG PRO A 70 -9.914 -1.218 7.161 1.00 0.36 C ATOM 1157 CD PRO A 70 -8.757 -0.558 6.461 1.00 0.42 C ATOM 0 HA PRO A 70 -7.831 -1.459 9.348 1.00 0.37 H new ATOM 0 HB2 PRO A 70 -9.333 -3.259 7.444 1.00 0.37 H new ATOM 0 HB3 PRO A 70 -9.935 -2.478 8.892 1.00 0.37 H new ATOM 0 HG2 PRO A 70 -10.630 -1.611 6.439 1.00 0.36 H new ATOM 0 HG3 PRO A 70 -10.450 -0.501 7.783 1.00 0.36 H new ATOM 0 HD2 PRO A 70 -8.625 -0.948 5.452 1.00 0.42 H new ATOM 0 HD3 PRO A 70 -8.906 0.518 6.370 1.00 0.42 H new ATOM 1165 N ALA A 71 -6.709 -3.661 9.449 1.00 0.48 N ATOM 1166 CA ALA A 71 -5.808 -4.805 9.535 1.00 0.53 C ATOM 1167 C ALA A 71 -6.310 -5.976 8.693 1.00 0.50 C ATOM 1168 O ALA A 71 -7.337 -6.579 9.000 1.00 0.50 O ATOM 1169 CB ALA A 71 -5.637 -5.234 10.984 1.00 0.65 C ATOM 0 H ALA A 71 -7.114 -3.376 10.341 1.00 0.48 H new ATOM 0 HA ALA A 71 -4.841 -4.498 9.138 1.00 0.53 H new ATOM 0 HB1 ALA A 71 -4.962 -6.089 11.033 1.00 0.65 H new ATOM 0 HB2 ALA A 71 -5.220 -4.409 11.561 1.00 0.65 H new ATOM 0 HB3 ALA A 71 -6.606 -5.513 11.398 1.00 0.65 H new ATOM 1175 N PHE A 72 -5.573 -6.290 7.630 1.00 0.50 N ATOM 1176 CA PHE A 72 -5.937 -7.389 6.742 1.00 0.52 C ATOM 1177 C PHE A 72 -4.899 -8.505 6.801 1.00 0.61 C ATOM 1178 O PHE A 72 -3.878 -8.451 6.114 1.00 0.64 O ATOM 1179 CB PHE A 72 -6.073 -6.891 5.301 1.00 0.49 C ATOM 1180 CG PHE A 72 -7.037 -5.748 5.132 1.00 0.40 C ATOM 1181 CD1 PHE A 72 -8.276 -5.780 5.753 1.00 0.37 C ATOM 1182 CD2 PHE A 72 -6.705 -4.640 4.364 1.00 0.40 C ATOM 1183 CE1 PHE A 72 -9.166 -4.734 5.610 1.00 0.33 C ATOM 1184 CE2 PHE A 72 -7.592 -3.590 4.220 1.00 0.38 C ATOM 1185 CZ PHE A 72 -8.812 -3.634 4.797 1.00 0.34 C ATOM 0 H PHE A 72 -4.720 -5.798 7.363 1.00 0.50 H new ATOM 0 HA PHE A 72 -6.896 -7.784 7.077 1.00 0.52 H new ATOM 0 HB2 PHE A 72 -5.092 -6.580 4.942 1.00 0.49 H new ATOM 0 HB3 PHE A 72 -6.396 -7.720 4.671 1.00 0.49 H new ATOM 0 HD1 PHE A 72 -8.548 -6.634 6.356 1.00 0.37 H new ATOM 0 HD2 PHE A 72 -5.743 -4.598 3.874 1.00 0.40 H new ATOM 0 HE1 PHE A 72 -10.121 -4.756 6.114 1.00 0.33 H new ATOM 0 HE2 PHE A 72 -7.306 -2.725 3.640 1.00 0.38 H new ATOM 0 HZ PHE A 72 -9.516 -2.830 4.637 1.00 0.34 H new ATOM 1195 N GLU A 73 -5.163 -9.516 7.622 1.00 0.68 N ATOM 1196 CA GLU A 73 -4.248 -10.644 7.764 1.00 0.78 C ATOM 1197 C GLU A 73 -4.957 -11.962 7.472 1.00 0.93 C ATOM 1198 O GLU A 73 -6.150 -12.109 7.740 1.00 1.03 O ATOM 1199 CB GLU A 73 -3.651 -10.671 9.171 1.00 0.62 C ATOM 1200 CG GLU A 73 -2.446 -9.760 9.340 1.00 1.34 C ATOM 1201 CD GLU A 73 -2.834 -8.306 9.533 1.00 2.08 C ATOM 1202 OE1 GLU A 73 -3.328 -7.963 10.626 1.00 2.45 O ATOM 1203 OE2 GLU A 73 -2.641 -7.512 8.589 1.00 2.81 O ATOM 0 H GLU A 73 -6.002 -9.578 8.199 1.00 0.68 H new ATOM 0 HA GLU A 73 -3.443 -10.519 7.039 1.00 0.78 H new ATOM 0 HB2 GLU A 73 -4.419 -10.380 9.888 1.00 0.62 H new ATOM 0 HB3 GLU A 73 -3.360 -11.693 9.413 1.00 0.62 H new ATOM 0 HG2 GLU A 73 -1.862 -10.093 10.198 1.00 1.34 H new ATOM 0 HG3 GLU A 73 -1.804 -9.847 8.464 1.00 1.34 H new