USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 754 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 48 LYS NZ :NH3+ -126:sc= -0.0714 (180deg=-2.08!) USER MOD Set 1.2: A 73 MET CE :methyl -138:sc= -0.975 (180deg=-1.86) USER MOD Set 1.3: A 75 SER OG : rot 170:sc= -0.243 USER MOD Set 1.4: A 84 TYR OH : rot -130:sc= -3.3! USER MOD Single : A 5 ASN : amide:sc= -0.092 X(o=-0.092,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00108 USER MOD Single : A 13 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.5) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0675 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 173:sc= -0.345 (180deg=-0.405) USER MOD Single : A 28 ASN : amide:sc= -0.0979 K(o=-0.098,f=-0.81) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 154:sc= -0.347 (180deg=-0.887) USER MOD Single : A 39 ASN : amide:sc= -6.22 K(o=-6.2,f=-16!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -175:sc= -0.69 (180deg=-0.805) USER MOD Single : A 49 ASN : amide:sc= -1.66 X(o=-1.7,f=-1.5) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.012) USER MOD Single : A 67 GLN : amide:sc= -0.0847 X(o=-0.085,f=0) USER MOD Single : A 68 HIS : no HE2:sc= -5.24! C(o=-5.2!,f=-6.4!) USER MOD Single : A 70 SER OG : rot -93:sc= 0.742 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -131:sc= -0.211 (180deg=-0.493) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 78:sc= 0.319 USER MOD Single : A 90 ASN : amide:sc= -3.06! C(o=-3.1!,f=-10!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.312 X(o=-0.31,f=-0.0021) USER MOD Single : A 97 HIS : no HD1:sc= -0.649 X(o=-0.65,f=-0.83) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 18:sc= -0.257 USER MOD Single : A 100 HIS : no HD1:sc=-0.00136 X(o=-0.0014,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 15 N ASN A 5 -0.977 22.566 -2.906 1.00 0.76 N ATOM 16 CA ASN A 5 -0.288 22.020 -1.743 1.00 0.53 C ATOM 17 C ASN A 5 -0.854 20.639 -1.394 1.00 0.49 C ATOM 18 O ASN A 5 -1.270 19.900 -2.282 1.00 0.60 O ATOM 19 CB ASN A 5 -0.407 22.974 -0.548 1.00 0.52 C ATOM 20 CG ASN A 5 -0.479 24.434 -0.955 1.00 0.63 C ATOM 21 OD1 ASN A 5 -1.378 25.164 -0.541 1.00 1.19 O ATOM 22 ND2 ASN A 5 0.476 24.868 -1.772 1.00 1.41 N ATOM 0 HA ASN A 5 0.769 21.910 -1.983 1.00 0.53 H new ATOM 0 HB2 ASN A 5 -1.298 22.719 0.025 1.00 0.52 H new ATOM 0 HB3 ASN A 5 0.449 22.829 0.111 1.00 0.52 H new ATOM 0 HD21 ASN A 5 0.481 25.841 -2.079 1.00 1.41 H new ATOM 0 HD22 ASN A 5 1.203 24.228 -2.092 1.00 1.41 H new ATOM 29 N LYS A 6 -0.868 20.290 -0.108 1.00 0.45 N ATOM 30 CA LYS A 6 -1.381 18.999 0.328 1.00 0.49 C ATOM 31 C LYS A 6 -2.905 19.008 0.422 1.00 0.49 C ATOM 32 O LYS A 6 -3.499 19.927 0.987 1.00 0.56 O ATOM 33 CB LYS A 6 -0.795 18.645 1.694 1.00 0.64 C ATOM 34 CG LYS A 6 0.290 17.583 1.653 1.00 1.28 C ATOM 35 CD LYS A 6 1.629 18.149 1.208 1.00 1.76 C ATOM 36 CE LYS A 6 2.197 19.139 2.215 1.00 2.52 C ATOM 37 NZ LYS A 6 3.216 18.508 3.101 1.00 3.06 N ATOM 0 H LYS A 6 -0.529 20.886 0.647 1.00 0.45 H new ATOM 0 HA LYS A 6 -1.086 18.254 -0.411 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -0.386 19.549 2.146 1.00 0.64 H new ATOM 0 HB3 LYS A 6 -1.600 18.300 2.343 1.00 0.64 H new ATOM 0 HG2 LYS A 6 0.397 17.136 2.641 1.00 1.28 H new ATOM 0 HG3 LYS A 6 -0.010 16.785 0.973 1.00 1.28 H new ATOM 0 HD2 LYS A 6 2.337 17.333 1.064 1.00 1.76 H new ATOM 0 HD3 LYS A 6 1.511 18.642 0.243 1.00 1.76 H new ATOM 0 HE2 LYS A 6 2.647 19.978 1.685 1.00 2.52 H new ATOM 0 HE3 LYS A 6 1.388 19.543 2.823 1.00 2.52 H new ATOM 0 HZ1 LYS A 6 3.578 19.215 3.772 1.00 3.06 H new ATOM 0 HZ2 LYS A 6 2.781 17.723 3.626 1.00 3.06 H new ATOM 0 HZ3 LYS A 6 4.001 18.145 2.524 1.00 3.06 H new ATOM 51 N ARG A 7 -3.526 17.961 -0.108 1.00 0.50 N ATOM 52 CA ARG A 7 -4.974 17.814 -0.063 1.00 0.52 C ATOM 53 C ARG A 7 -5.342 16.334 -0.031 1.00 0.47 C ATOM 54 O ARG A 7 -4.979 15.573 -0.938 1.00 0.43 O ATOM 55 CB ARG A 7 -5.646 18.495 -1.257 1.00 0.57 C ATOM 56 CG ARG A 7 -5.421 19.996 -1.304 1.00 0.77 C ATOM 57 CD ARG A 7 -4.067 20.327 -1.896 1.00 0.64 C ATOM 58 NE ARG A 7 -4.178 21.224 -3.044 1.00 0.98 N ATOM 59 CZ ARG A 7 -4.476 20.817 -4.276 1.00 1.66 C ATOM 60 NH1 ARG A 7 -4.665 19.529 -4.526 1.00 2.46 N ATOM 61 NH2 ARG A 7 -4.585 21.699 -5.259 1.00 2.11 N ATOM 0 H ARG A 7 -3.043 17.195 -0.578 1.00 0.50 H new ATOM 0 HA ARG A 7 -5.334 18.301 0.843 1.00 0.52 H new ATOM 0 HB2 ARG A 7 -5.269 18.050 -2.178 1.00 0.57 H new ATOM 0 HB3 ARG A 7 -6.717 18.297 -1.222 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -6.205 20.466 -1.897 1.00 0.77 H new ATOM 0 HG3 ARG A 7 -5.492 20.409 -0.298 1.00 0.77 H new ATOM 0 HD2 ARG A 7 -3.441 20.790 -1.133 1.00 0.64 H new ATOM 0 HD3 ARG A 7 -3.570 19.406 -2.201 1.00 0.64 H new ATOM 0 HE ARG A 7 -4.018 22.220 -2.893 1.00 0.98 H new ATOM 0 HH11 ARG A 7 -4.582 18.846 -3.773 1.00 2.46 H new ATOM 0 HH12 ARG A 7 -4.893 19.221 -5.471 1.00 2.46 H new ATOM 0 HH21 ARG A 7 -4.440 22.691 -5.072 1.00 2.11 H new ATOM 0 HH22 ARG A 7 -4.813 21.386 -6.202 1.00 2.11 H new ATOM 75 N ALA A 8 -6.054 15.936 1.021 1.00 0.50 N ATOM 76 CA ALA A 8 -6.468 14.547 1.201 1.00 0.47 C ATOM 77 C ALA A 8 -7.020 13.944 -0.090 1.00 0.44 C ATOM 78 O ALA A 8 -8.107 14.312 -0.535 1.00 0.56 O ATOM 79 CB ALA A 8 -7.508 14.453 2.308 1.00 0.54 C ATOM 0 H ALA A 8 -6.358 16.562 1.767 1.00 0.50 H new ATOM 0 HA ALA A 8 -5.585 13.973 1.480 1.00 0.47 H new ATOM 0 HB1 ALA A 8 -7.811 13.414 2.435 1.00 0.54 H new ATOM 0 HB2 ALA A 8 -7.082 14.823 3.240 1.00 0.54 H new ATOM 0 HB3 ALA A 8 -8.377 15.054 2.042 1.00 0.54 H new ATOM 85 N PRO A 9 -6.283 13.005 -0.710 1.00 0.36 N ATOM 86 CA PRO A 9 -6.713 12.356 -1.948 1.00 0.37 C ATOM 87 C PRO A 9 -7.888 11.414 -1.729 1.00 0.37 C ATOM 88 O PRO A 9 -7.838 10.523 -0.880 1.00 0.40 O ATOM 89 CB PRO A 9 -5.478 11.563 -2.407 1.00 0.39 C ATOM 90 CG PRO A 9 -4.354 12.024 -1.540 1.00 0.51 C ATOM 91 CD PRO A 9 -4.979 12.501 -0.262 1.00 0.41 C ATOM 0 HA PRO A 9 -7.057 13.087 -2.680 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -5.640 10.490 -2.300 1.00 0.39 H new ATOM 0 HB3 PRO A 9 -5.262 11.749 -3.459 1.00 0.39 H new ATOM 0 HG2 PRO A 9 -3.651 11.213 -1.350 1.00 0.51 H new ATOM 0 HG3 PRO A 9 -3.794 12.825 -2.022 1.00 0.51 H new ATOM 0 HD2 PRO A 9 -5.084 11.694 0.463 1.00 0.41 H new ATOM 0 HD3 PRO A 9 -4.385 13.281 0.213 1.00 0.41 H new ATOM 99 N TYR A 10 -8.944 11.616 -2.505 1.00 0.38 N ATOM 100 CA TYR A 10 -10.135 10.782 -2.406 1.00 0.41 C ATOM 101 C TYR A 10 -9.967 9.512 -3.228 1.00 0.38 C ATOM 102 O TYR A 10 -9.728 9.567 -4.435 1.00 0.44 O ATOM 103 CB TYR A 10 -11.364 11.556 -2.884 1.00 0.49 C ATOM 104 CG TYR A 10 -11.246 12.065 -4.304 1.00 1.15 C ATOM 105 CD1 TYR A 10 -10.697 13.313 -4.571 1.00 2.02 C ATOM 106 CD2 TYR A 10 -11.685 11.298 -5.375 1.00 1.90 C ATOM 107 CE1 TYR A 10 -10.586 13.782 -5.866 1.00 2.96 C ATOM 108 CE2 TYR A 10 -11.579 11.759 -6.675 1.00 2.78 C ATOM 109 CZ TYR A 10 -11.030 13.000 -6.914 1.00 3.18 C ATOM 110 OH TYR A 10 -10.922 13.465 -8.205 1.00 4.20 O ATOM 0 H TYR A 10 -9.001 12.350 -3.211 1.00 0.38 H new ATOM 0 HA TYR A 10 -10.276 10.505 -1.361 1.00 0.41 H new ATOM 0 HB2 TYR A 10 -12.240 10.912 -2.810 1.00 0.49 H new ATOM 0 HB3 TYR A 10 -11.533 12.401 -2.217 1.00 0.49 H new ATOM 0 HD1 TYR A 10 -10.351 13.927 -3.753 1.00 2.02 H new ATOM 0 HD2 TYR A 10 -12.116 10.325 -5.190 1.00 1.90 H new ATOM 0 HE1 TYR A 10 -10.155 14.754 -6.057 1.00 2.96 H new ATOM 0 HE2 TYR A 10 -11.924 11.150 -7.497 1.00 2.78 H new ATOM 0 HH TYR A 10 -11.278 12.795 -8.825 1.00 4.20 H new ATOM 120 N TRP A 11 -10.083 8.364 -2.566 1.00 0.47 N ATOM 121 CA TRP A 11 -9.943 7.076 -3.233 1.00 0.49 C ATOM 122 C TRP A 11 -10.742 7.037 -4.532 1.00 0.42 C ATOM 123 O TRP A 11 -11.866 7.536 -4.598 1.00 0.45 O ATOM 124 CB TRP A 11 -10.402 5.951 -2.306 1.00 0.60 C ATOM 125 CG TRP A 11 -11.783 6.162 -1.761 1.00 0.83 C ATOM 126 CD1 TRP A 11 -12.133 6.932 -0.690 1.00 1.71 C ATOM 127 CD2 TRP A 11 -12.996 5.595 -2.263 1.00 1.65 C ATOM 128 NE1 TRP A 11 -13.492 6.878 -0.495 1.00 2.26 N ATOM 129 CE2 TRP A 11 -14.044 6.064 -1.448 1.00 2.17 C ATOM 130 CE3 TRP A 11 -13.300 4.737 -3.324 1.00 2.60 C ATOM 131 CZ2 TRP A 11 -15.372 5.700 -1.662 1.00 3.03 C ATOM 132 CZ3 TRP A 11 -14.617 4.378 -3.534 1.00 3.54 C ATOM 133 CH2 TRP A 11 -15.639 4.860 -2.708 1.00 3.60 C ATOM 0 H TRP A 11 -10.274 8.301 -1.566 1.00 0.47 H new ATOM 0 HA TRP A 11 -8.890 6.936 -3.477 1.00 0.49 H new ATOM 0 HB2 TRP A 11 -10.373 5.007 -2.849 1.00 0.60 H new ATOM 0 HB3 TRP A 11 -9.700 5.863 -1.476 1.00 0.60 H new ATOM 0 HD1 TRP A 11 -11.443 7.501 -0.084 1.00 1.71 H new ATOM 0 HE1 TRP A 11 -14.006 7.365 0.240 1.00 2.26 H new ATOM 0 HE3 TRP A 11 -12.519 4.361 -3.968 1.00 2.60 H new ATOM 0 HZ2 TRP A 11 -16.162 6.068 -1.025 1.00 3.03 H new ATOM 0 HZ3 TRP A 11 -14.862 3.714 -4.350 1.00 3.54 H new ATOM 0 HH2 TRP A 11 -16.659 4.563 -2.900 1.00 3.60 H new ATOM 144 N THR A 12 -10.156 6.441 -5.565 1.00 0.45 N ATOM 145 CA THR A 12 -10.814 6.335 -6.860 1.00 0.50 C ATOM 146 C THR A 12 -11.496 4.982 -7.007 1.00 0.55 C ATOM 147 O THR A 12 -12.718 4.898 -7.128 1.00 0.64 O ATOM 148 CB THR A 12 -9.815 6.532 -8.019 1.00 0.61 C ATOM 149 OG1 THR A 12 -8.515 6.832 -7.501 1.00 1.28 O ATOM 150 CG2 THR A 12 -10.270 7.655 -8.937 1.00 1.23 C ATOM 0 H THR A 12 -9.226 6.024 -5.529 1.00 0.45 H new ATOM 0 HA THR A 12 -11.562 7.126 -6.907 1.00 0.50 H new ATOM 0 HB THR A 12 -9.772 5.607 -8.593 1.00 0.61 H new ATOM 0 HG1 THR A 12 -7.887 6.954 -8.244 1.00 1.28 H new ATOM 0 HG21 THR A 12 -9.551 7.777 -9.747 1.00 1.23 H new ATOM 0 HG22 THR A 12 -11.248 7.411 -9.353 1.00 1.23 H new ATOM 0 HG23 THR A 12 -10.338 8.583 -8.370 1.00 1.23 H new ATOM 158 N ASN A 13 -10.697 3.921 -6.979 1.00 0.56 N ATOM 159 CA ASN A 13 -11.222 2.566 -7.088 1.00 0.66 C ATOM 160 C ASN A 13 -11.277 1.907 -5.715 1.00 0.63 C ATOM 161 O ASN A 13 -10.314 1.961 -4.954 1.00 0.58 O ATOM 162 CB ASN A 13 -10.357 1.731 -8.032 1.00 0.73 C ATOM 163 CG ASN A 13 -9.989 2.483 -9.296 1.00 1.35 C ATOM 164 OD1 ASN A 13 -10.749 3.324 -9.776 1.00 2.05 O ATOM 165 ND2 ASN A 13 -8.819 2.180 -9.843 1.00 1.96 N ATOM 0 H ASN A 13 -9.683 3.974 -6.882 1.00 0.56 H new ATOM 0 HA ASN A 13 -12.232 2.621 -7.494 1.00 0.66 H new ATOM 0 HB2 ASN A 13 -9.447 1.429 -7.514 1.00 0.73 H new ATOM 0 HB3 ASN A 13 -10.891 0.818 -8.298 1.00 0.73 H new ATOM 0 HD21 ASN A 13 -8.518 2.651 -10.696 1.00 1.96 H new ATOM 0 HD22 ASN A 13 -8.221 1.476 -9.411 1.00 1.96 H new ATOM 172 N THR A 14 -12.405 1.280 -5.400 1.00 0.74 N ATOM 173 CA THR A 14 -12.565 0.612 -4.116 1.00 0.78 C ATOM 174 C THR A 14 -11.602 -0.563 -4.000 1.00 0.76 C ATOM 175 O THR A 14 -11.429 -1.329 -4.950 1.00 0.78 O ATOM 176 CB THR A 14 -14.005 0.104 -3.918 1.00 0.92 C ATOM 177 OG1 THR A 14 -14.600 -0.190 -5.188 1.00 1.06 O ATOM 178 CG2 THR A 14 -14.847 1.135 -3.185 1.00 1.15 C ATOM 0 H THR A 14 -13.218 1.221 -6.013 1.00 0.74 H new ATOM 0 HA THR A 14 -12.344 1.347 -3.342 1.00 0.78 H new ATOM 0 HB THR A 14 -13.966 -0.804 -3.316 1.00 0.92 H new ATOM 0 HG1 THR A 14 -15.515 -0.514 -5.053 1.00 1.06 H new ATOM 0 HG21 THR A 14 -15.860 0.753 -3.057 1.00 1.15 H new ATOM 0 HG22 THR A 14 -14.408 1.334 -2.207 1.00 1.15 H new ATOM 0 HG23 THR A 14 -14.878 2.058 -3.764 1.00 1.15 H new ATOM 186 N GLU A 15 -10.999 -0.725 -2.827 1.00 0.76 N ATOM 187 CA GLU A 15 -10.079 -1.829 -2.599 1.00 0.77 C ATOM 188 C GLU A 15 -10.845 -3.134 -2.398 1.00 0.82 C ATOM 189 O GLU A 15 -10.260 -4.218 -2.439 1.00 0.82 O ATOM 190 CB GLU A 15 -9.203 -1.546 -1.380 1.00 0.79 C ATOM 191 CG GLU A 15 -8.704 -0.113 -1.314 1.00 1.35 C ATOM 192 CD GLU A 15 -9.218 0.628 -0.095 1.00 1.75 C ATOM 193 OE1 GLU A 15 -10.416 0.481 0.228 1.00 2.50 O ATOM 194 OE2 GLU A 15 -8.423 1.354 0.537 1.00 2.06 O ATOM 0 H GLU A 15 -11.131 -0.109 -2.025 1.00 0.76 H new ATOM 0 HA GLU A 15 -9.442 -1.930 -3.478 1.00 0.77 H new ATOM 0 HB2 GLU A 15 -9.770 -1.767 -0.476 1.00 0.79 H new ATOM 0 HB3 GLU A 15 -8.347 -2.221 -1.393 1.00 0.79 H new ATOM 0 HG2 GLU A 15 -7.614 -0.112 -1.302 1.00 1.35 H new ATOM 0 HG3 GLU A 15 -9.014 0.417 -2.214 1.00 1.35 H new ATOM 201 N LYS A 16 -12.158 -3.028 -2.206 1.00 0.88 N ATOM 202 CA LYS A 16 -12.988 -4.204 -2.024 1.00 0.95 C ATOM 203 C LYS A 16 -13.128 -4.962 -3.340 1.00 0.98 C ATOM 204 O LYS A 16 -13.461 -6.148 -3.351 1.00 1.01 O ATOM 205 CB LYS A 16 -14.368 -3.813 -1.498 1.00 1.04 C ATOM 206 CG LYS A 16 -15.260 -5.007 -1.208 1.00 1.44 C ATOM 207 CD LYS A 16 -16.364 -5.143 -2.245 1.00 1.61 C ATOM 208 CE LYS A 16 -17.426 -6.134 -1.799 1.00 2.37 C ATOM 209 NZ LYS A 16 -17.752 -7.119 -2.869 1.00 2.83 N ATOM 0 H LYS A 16 -12.663 -2.142 -2.173 1.00 0.88 H new ATOM 0 HA LYS A 16 -12.507 -4.852 -1.291 1.00 0.95 H new ATOM 0 HB2 LYS A 16 -14.249 -3.227 -0.587 1.00 1.04 H new ATOM 0 HB3 LYS A 16 -14.859 -3.170 -2.229 1.00 1.04 H new ATOM 0 HG2 LYS A 16 -14.659 -5.916 -1.193 1.00 1.44 H new ATOM 0 HG3 LYS A 16 -15.701 -4.901 -0.217 1.00 1.44 H new ATOM 0 HD2 LYS A 16 -16.823 -4.170 -2.420 1.00 1.61 H new ATOM 0 HD3 LYS A 16 -15.936 -5.468 -3.193 1.00 1.61 H new ATOM 0 HE2 LYS A 16 -17.079 -6.664 -0.912 1.00 2.37 H new ATOM 0 HE3 LYS A 16 -18.329 -5.594 -1.515 1.00 2.37 H new ATOM 0 HZ1 LYS A 16 -18.480 -7.777 -2.525 1.00 2.83 H new ATOM 0 HZ2 LYS A 16 -18.108 -6.616 -3.707 1.00 2.83 H new ATOM 0 HZ3 LYS A 16 -16.896 -7.652 -3.123 1.00 2.83 H new ATOM 223 N MET A 17 -12.861 -4.277 -4.451 1.00 0.98 N ATOM 224 CA MET A 17 -12.949 -4.899 -5.764 1.00 1.04 C ATOM 225 C MET A 17 -11.592 -4.880 -6.459 1.00 1.03 C ATOM 226 O MET A 17 -11.506 -5.019 -7.678 1.00 1.17 O ATOM 227 CB MET A 17 -13.988 -4.180 -6.628 1.00 1.21 C ATOM 228 CG MET A 17 -15.332 -3.998 -5.942 1.00 1.44 C ATOM 229 SD MET A 17 -16.455 -5.378 -6.235 1.00 1.83 S ATOM 230 CE MET A 17 -18.042 -4.567 -6.057 1.00 2.16 C ATOM 0 H MET A 17 -12.583 -3.296 -4.465 1.00 0.98 H new ATOM 0 HA MET A 17 -13.259 -5.935 -5.629 1.00 1.04 H new ATOM 0 HB2 MET A 17 -13.599 -3.202 -6.910 1.00 1.21 H new ATOM 0 HB3 MET A 17 -14.134 -4.743 -7.550 1.00 1.21 H new ATOM 0 HG2 MET A 17 -15.175 -3.884 -4.869 1.00 1.44 H new ATOM 0 HG3 MET A 17 -15.795 -3.077 -6.296 1.00 1.44 H new ATOM 0 HE1 MET A 17 -18.841 -5.293 -6.211 1.00 2.16 H new ATOM 0 HE2 MET A 17 -18.124 -4.144 -5.056 1.00 2.16 H new ATOM 0 HE3 MET A 17 -18.128 -3.771 -6.796 1.00 2.16 H new ATOM 240 N GLU A 18 -10.527 -4.707 -5.675 1.00 0.95 N ATOM 241 CA GLU A 18 -9.180 -4.671 -6.219 1.00 1.06 C ATOM 242 C GLU A 18 -8.350 -5.838 -5.698 1.00 0.96 C ATOM 243 O GLU A 18 -8.023 -6.761 -6.444 1.00 1.57 O ATOM 244 CB GLU A 18 -8.498 -3.348 -5.866 1.00 1.43 C ATOM 245 CG GLU A 18 -7.804 -2.689 -7.046 1.00 1.29 C ATOM 246 CD GLU A 18 -8.325 -1.294 -7.323 1.00 2.13 C ATOM 247 OE1 GLU A 18 -8.739 -0.614 -6.363 1.00 2.88 O ATOM 248 OE2 GLU A 18 -8.319 -0.882 -8.503 1.00 2.56 O ATOM 0 H GLU A 18 -10.577 -4.590 -4.663 1.00 0.95 H new ATOM 0 HA GLU A 18 -9.253 -4.756 -7.303 1.00 1.06 H new ATOM 0 HB2 GLU A 18 -9.242 -2.661 -5.463 1.00 1.43 H new ATOM 0 HB3 GLU A 18 -7.767 -3.525 -5.077 1.00 1.43 H new ATOM 0 HG2 GLU A 18 -6.732 -2.641 -6.852 1.00 1.29 H new ATOM 0 HG3 GLU A 18 -7.940 -3.307 -7.934 1.00 1.29 H new ATOM 255 N LYS A 19 -8.005 -5.790 -4.416 1.00 0.84 N ATOM 256 CA LYS A 19 -7.204 -6.847 -3.813 1.00 1.08 C ATOM 257 C LYS A 19 -7.437 -6.964 -2.307 1.00 0.87 C ATOM 258 O LYS A 19 -6.621 -6.495 -1.514 1.00 0.87 O ATOM 259 CB LYS A 19 -5.719 -6.593 -4.075 1.00 1.66 C ATOM 260 CG LYS A 19 -4.916 -7.864 -4.293 1.00 2.57 C ATOM 261 CD LYS A 19 -4.676 -8.607 -2.988 1.00 2.87 C ATOM 262 CE LYS A 19 -3.303 -8.294 -2.413 1.00 3.55 C ATOM 263 NZ LYS A 19 -3.094 -6.830 -2.240 1.00 4.14 N ATOM 0 H LYS A 19 -8.265 -5.037 -3.779 1.00 0.84 H new ATOM 0 HA LYS A 19 -7.513 -7.785 -4.274 1.00 1.08 H new ATOM 0 HB2 LYS A 19 -5.617 -5.953 -4.952 1.00 1.66 H new ATOM 0 HB3 LYS A 19 -5.298 -6.047 -3.231 1.00 1.66 H new ATOM 0 HG2 LYS A 19 -5.445 -8.514 -4.990 1.00 2.57 H new ATOM 0 HG3 LYS A 19 -3.959 -7.616 -4.752 1.00 2.57 H new ATOM 0 HD2 LYS A 19 -5.445 -8.334 -2.266 1.00 2.87 H new ATOM 0 HD3 LYS A 19 -4.765 -9.680 -3.157 1.00 2.87 H new ATOM 0 HE2 LYS A 19 -3.190 -8.793 -1.451 1.00 3.55 H new ATOM 0 HE3 LYS A 19 -2.533 -8.695 -3.072 1.00 3.55 H new ATOM 0 HZ1 LYS A 19 -2.198 -6.664 -1.738 1.00 4.14 H new ATOM 0 HZ2 LYS A 19 -3.058 -6.372 -3.173 1.00 4.14 H new ATOM 0 HZ3 LYS A 19 -3.879 -6.430 -1.688 1.00 4.14 H new ATOM 277 N ARG A 20 -8.530 -7.618 -1.906 1.00 0.98 N ATOM 278 CA ARG A 20 -8.797 -7.803 -0.481 1.00 0.92 C ATOM 279 C ARG A 20 -8.665 -9.268 -0.081 1.00 0.94 C ATOM 280 O ARG A 20 -7.551 -9.730 0.130 1.00 1.30 O ATOM 281 CB ARG A 20 -10.159 -7.259 -0.053 1.00 0.95 C ATOM 282 CG ARG A 20 -11.177 -7.170 -1.177 1.00 1.64 C ATOM 283 CD ARG A 20 -12.585 -7.472 -0.681 1.00 2.15 C ATOM 284 NE ARG A 20 -12.930 -6.699 0.511 1.00 2.67 N ATOM 285 CZ ARG A 20 -12.829 -7.152 1.764 1.00 3.29 C ATOM 286 NH1 ARG A 20 -12.367 -8.373 2.014 1.00 3.51 N ATOM 287 NH2 ARG A 20 -13.190 -6.374 2.774 1.00 4.11 N ATOM 0 H ARG A 20 -9.228 -8.019 -2.532 1.00 0.98 H new ATOM 0 HA ARG A 20 -8.040 -7.221 0.045 1.00 0.92 H new ATOM 0 HB2 ARG A 20 -10.560 -7.896 0.735 1.00 0.95 H new ATOM 0 HB3 ARG A 20 -10.022 -6.267 0.377 1.00 0.95 H new ATOM 0 HG2 ARG A 20 -11.151 -6.172 -1.615 1.00 1.64 H new ATOM 0 HG3 ARG A 20 -10.910 -7.872 -1.967 1.00 1.64 H new ATOM 0 HD2 ARG A 20 -13.302 -7.254 -1.473 1.00 2.15 H new ATOM 0 HD3 ARG A 20 -12.669 -8.536 -0.459 1.00 2.15 H new ATOM 0 HE ARG A 20 -13.272 -5.747 0.377 1.00 2.67 H new ATOM 0 HH11 ARG A 20 -12.084 -8.979 1.244 1.00 3.51 H new ATOM 0 HH12 ARG A 20 -12.296 -8.704 2.976 1.00 3.51 H new ATOM 0 HH21 ARG A 20 -13.543 -5.434 2.593 1.00 4.11 H new ATOM 0 HH22 ARG A 20 -13.115 -6.715 3.732 1.00 4.11 H new ATOM 348 N VAL A 24 -2.048 -15.211 -1.073 1.00 0.78 N ATOM 349 CA VAL A 24 -0.711 -14.745 -1.418 1.00 0.74 C ATOM 350 C VAL A 24 0.261 -15.910 -1.601 1.00 0.68 C ATOM 351 O VAL A 24 0.473 -16.696 -0.678 1.00 0.77 O ATOM 352 CB VAL A 24 -0.157 -13.800 -0.336 1.00 0.81 C ATOM 353 CG1 VAL A 24 1.053 -13.040 -0.859 1.00 1.32 C ATOM 354 CG2 VAL A 24 -1.237 -12.837 0.137 1.00 1.30 C ATOM 0 HA VAL A 24 -0.801 -14.206 -2.361 1.00 0.74 H new ATOM 0 HB VAL A 24 0.160 -14.401 0.516 1.00 0.81 H new ATOM 0 HG11 VAL A 24 1.431 -12.377 -0.080 1.00 1.32 H new ATOM 0 HG12 VAL A 24 1.832 -13.747 -1.143 1.00 1.32 H new ATOM 0 HG13 VAL A 24 0.764 -12.450 -1.729 1.00 1.32 H new ATOM 0 HG21 VAL A 24 -0.827 -12.177 0.901 1.00 1.30 H new ATOM 0 HG22 VAL A 24 -1.588 -12.242 -0.706 1.00 1.30 H new ATOM 0 HG23 VAL A 24 -2.071 -13.402 0.555 1.00 1.30 H new ATOM 364 N PRO A 25 0.875 -16.035 -2.793 1.00 0.61 N ATOM 365 CA PRO A 25 1.830 -17.111 -3.074 1.00 0.63 C ATOM 366 C PRO A 25 3.122 -16.950 -2.281 1.00 0.57 C ATOM 367 O PRO A 25 3.723 -15.876 -2.269 1.00 0.52 O ATOM 368 CB PRO A 25 2.103 -16.969 -4.573 1.00 0.72 C ATOM 369 CG PRO A 25 1.807 -15.543 -4.881 1.00 0.71 C ATOM 370 CD PRO A 25 0.691 -15.143 -3.954 1.00 0.65 C ATOM 0 HA PRO A 25 1.438 -18.088 -2.793 1.00 0.63 H new ATOM 0 HB2 PRO A 25 3.137 -17.219 -4.812 1.00 0.72 H new ATOM 0 HB3 PRO A 25 1.470 -17.639 -5.155 1.00 0.72 H new ATOM 0 HG2 PRO A 25 2.687 -14.919 -4.725 1.00 0.71 H new ATOM 0 HG3 PRO A 25 1.511 -15.422 -5.923 1.00 0.71 H new ATOM 0 HD2 PRO A 25 0.762 -14.093 -3.669 1.00 0.65 H new ATOM 0 HD3 PRO A 25 -0.286 -15.283 -4.417 1.00 0.65 H new ATOM 378 N ALA A 26 3.541 -18.020 -1.615 1.00 0.61 N ATOM 379 CA ALA A 26 4.758 -17.993 -0.814 1.00 0.60 C ATOM 380 C ALA A 26 5.999 -17.823 -1.686 1.00 0.54 C ATOM 381 O ALA A 26 6.096 -18.400 -2.768 1.00 0.58 O ATOM 382 CB ALA A 26 4.869 -19.262 0.018 1.00 0.71 C ATOM 0 H ALA A 26 3.055 -18.917 -1.614 1.00 0.61 H new ATOM 0 HA ALA A 26 4.699 -17.133 -0.147 1.00 0.60 H new ATOM 0 HB1 ALA A 26 5.783 -19.229 0.612 1.00 0.71 H new ATOM 0 HB2 ALA A 26 4.008 -19.339 0.681 1.00 0.71 H new ATOM 0 HB3 ALA A 26 4.896 -20.129 -0.642 1.00 0.71 H new ATOM 388 N ALA A 27 6.950 -17.032 -1.196 1.00 0.50 N ATOM 389 CA ALA A 27 8.197 -16.786 -1.918 1.00 0.48 C ATOM 390 C ALA A 27 7.954 -16.030 -3.223 1.00 0.43 C ATOM 391 O ALA A 27 8.737 -16.141 -4.166 1.00 0.46 O ATOM 392 CB ALA A 27 8.915 -18.098 -2.192 1.00 0.55 C ATOM 0 H ALA A 27 6.881 -16.549 -0.300 1.00 0.50 H new ATOM 0 HA ALA A 27 8.827 -16.160 -1.287 1.00 0.48 H new ATOM 0 HB1 ALA A 27 9.842 -17.900 -2.730 1.00 0.55 H new ATOM 0 HB2 ALA A 27 9.142 -18.593 -1.248 1.00 0.55 H new ATOM 0 HB3 ALA A 27 8.276 -18.743 -2.795 1.00 0.55 H new ATOM 398 N ASN A 28 6.872 -15.264 -3.270 1.00 0.39 N ATOM 399 CA ASN A 28 6.537 -14.489 -4.462 1.00 0.36 C ATOM 400 C ASN A 28 6.407 -13.005 -4.129 1.00 0.30 C ATOM 401 O ASN A 28 6.303 -12.630 -2.960 1.00 0.29 O ATOM 402 CB ASN A 28 5.232 -15.001 -5.075 1.00 0.40 C ATOM 403 CG ASN A 28 5.446 -16.209 -5.965 1.00 0.77 C ATOM 404 OD1 ASN A 28 6.030 -17.208 -5.546 1.00 1.42 O ATOM 405 ND2 ASN A 28 4.973 -16.123 -7.204 1.00 1.36 N ATOM 0 H ASN A 28 6.211 -15.161 -2.500 1.00 0.39 H new ATOM 0 HA ASN A 28 7.345 -14.611 -5.184 1.00 0.36 H new ATOM 0 HB2 ASN A 28 4.536 -15.260 -4.277 1.00 0.40 H new ATOM 0 HB3 ASN A 28 4.769 -14.203 -5.655 1.00 0.40 H new ATOM 0 HD21 ASN A 28 5.088 -16.905 -7.849 1.00 1.36 H new ATOM 0 HD22 ASN A 28 4.495 -15.275 -7.510 1.00 1.36 H new ATOM 412 N THR A 29 6.405 -12.164 -5.161 1.00 0.30 N ATOM 413 CA THR A 29 6.278 -10.724 -4.969 1.00 0.28 C ATOM 414 C THR A 29 4.818 -10.340 -4.767 1.00 0.30 C ATOM 415 O THR A 29 3.929 -10.892 -5.416 1.00 0.33 O ATOM 416 CB THR A 29 6.849 -9.939 -6.162 1.00 0.32 C ATOM 417 OG1 THR A 29 5.888 -9.892 -7.224 1.00 0.96 O ATOM 418 CG2 THR A 29 8.136 -10.578 -6.665 1.00 0.92 C ATOM 0 H THR A 29 6.490 -12.455 -6.135 1.00 0.30 H new ATOM 0 HA THR A 29 6.852 -10.466 -4.079 1.00 0.28 H new ATOM 0 HB THR A 29 7.071 -8.925 -5.828 1.00 0.32 H new ATOM 0 HG1 THR A 29 6.259 -9.389 -7.979 1.00 0.96 H new ATOM 0 HG21 THR A 29 8.521 -10.005 -7.509 1.00 0.92 H new ATOM 0 HG22 THR A 29 8.875 -10.586 -5.864 1.00 0.92 H new ATOM 0 HG23 THR A 29 7.934 -11.601 -6.983 1.00 0.92 H new ATOM 426 N VAL A 30 4.569 -9.418 -3.843 1.00 0.33 N ATOM 427 CA VAL A 30 3.206 -9.000 -3.540 1.00 0.39 C ATOM 428 C VAL A 30 2.838 -7.657 -4.164 1.00 0.35 C ATOM 429 O VAL A 30 3.500 -6.644 -3.938 1.00 0.35 O ATOM 430 CB VAL A 30 2.983 -8.916 -2.022 1.00 0.47 C ATOM 431 CG1 VAL A 30 1.521 -8.629 -1.712 1.00 0.56 C ATOM 432 CG2 VAL A 30 3.435 -10.201 -1.343 1.00 0.57 C ATOM 0 H VAL A 30 5.289 -8.948 -3.294 1.00 0.33 H new ATOM 0 HA VAL A 30 2.560 -9.762 -3.976 1.00 0.39 H new ATOM 0 HB VAL A 30 3.583 -8.094 -1.631 1.00 0.47 H new ATOM 0 HG11 VAL A 30 1.382 -8.573 -0.632 1.00 0.56 H new ATOM 0 HG12 VAL A 30 1.233 -7.680 -2.165 1.00 0.56 H new ATOM 0 HG13 VAL A 30 0.900 -9.428 -2.117 1.00 0.56 H new ATOM 0 HG21 VAL A 30 3.269 -10.123 -0.269 1.00 0.57 H new ATOM 0 HG22 VAL A 30 2.864 -11.041 -1.738 1.00 0.57 H new ATOM 0 HG23 VAL A 30 4.496 -10.361 -1.536 1.00 0.57 H new ATOM 442 N LYS A 31 1.751 -7.667 -4.930 1.00 0.34 N ATOM 443 CA LYS A 31 1.246 -6.459 -5.576 1.00 0.33 C ATOM 444 C LYS A 31 0.353 -5.690 -4.608 1.00 0.33 C ATOM 445 O LYS A 31 -0.486 -6.279 -3.925 1.00 0.38 O ATOM 446 CB LYS A 31 0.469 -6.814 -6.857 1.00 0.38 C ATOM 447 CG LYS A 31 -0.401 -5.681 -7.411 1.00 0.60 C ATOM 448 CD LYS A 31 -1.858 -6.104 -7.614 1.00 0.82 C ATOM 449 CE LYS A 31 -2.414 -6.863 -6.421 1.00 1.34 C ATOM 450 NZ LYS A 31 -2.752 -8.272 -6.769 1.00 1.98 N ATOM 0 H LYS A 31 1.200 -8.504 -5.119 1.00 0.34 H new ATOM 0 HA LYS A 31 2.091 -5.830 -5.855 1.00 0.33 H new ATOM 0 HB2 LYS A 31 1.180 -7.117 -7.625 1.00 0.38 H new ATOM 0 HB3 LYS A 31 -0.166 -7.676 -6.653 1.00 0.38 H new ATOM 0 HG2 LYS A 31 -0.365 -4.832 -6.728 1.00 0.60 H new ATOM 0 HG3 LYS A 31 0.011 -5.343 -8.362 1.00 0.60 H new ATOM 0 HD2 LYS A 31 -2.468 -5.219 -7.794 1.00 0.82 H new ATOM 0 HD3 LYS A 31 -1.931 -6.729 -8.504 1.00 0.82 H new ATOM 0 HE2 LYS A 31 -1.684 -6.854 -5.612 1.00 1.34 H new ATOM 0 HE3 LYS A 31 -3.305 -6.356 -6.051 1.00 1.34 H new ATOM 0 HZ1 LYS A 31 -2.700 -8.863 -5.915 1.00 1.98 H new ATOM 0 HZ2 LYS A 31 -3.715 -8.312 -7.160 1.00 1.98 H new ATOM 0 HZ3 LYS A 31 -2.077 -8.626 -7.476 1.00 1.98 H new ATOM 464 N PHE A 32 0.526 -4.376 -4.554 1.00 0.31 N ATOM 465 CA PHE A 32 -0.285 -3.551 -3.673 1.00 0.35 C ATOM 466 C PHE A 32 -0.921 -2.410 -4.457 1.00 0.32 C ATOM 467 O PHE A 32 -0.229 -1.561 -5.017 1.00 0.32 O ATOM 468 CB PHE A 32 0.580 -2.997 -2.537 1.00 0.44 C ATOM 469 CG PHE A 32 -0.199 -2.530 -1.335 1.00 0.90 C ATOM 470 CD1 PHE A 32 -1.242 -1.629 -1.487 1.00 1.64 C ATOM 471 CD2 PHE A 32 0.103 -2.990 -0.061 1.00 1.21 C ATOM 472 CE1 PHE A 32 -1.965 -1.194 -0.394 1.00 2.28 C ATOM 473 CE2 PHE A 32 -0.619 -2.557 1.034 1.00 1.91 C ATOM 474 CZ PHE A 32 -1.622 -1.678 0.897 1.00 2.35 C ATOM 0 H PHE A 32 1.215 -3.863 -5.105 1.00 0.31 H new ATOM 0 HA PHE A 32 -1.079 -4.163 -3.246 1.00 0.35 H new ATOM 0 HB2 PHE A 32 1.283 -3.768 -2.222 1.00 0.44 H new ATOM 0 HB3 PHE A 32 1.170 -2.164 -2.919 1.00 0.44 H new ATOM 0 HD1 PHE A 32 -1.492 -1.263 -2.472 1.00 1.64 H new ATOM 0 HD2 PHE A 32 0.911 -3.694 0.076 1.00 1.21 H new ATOM 0 HE1 PHE A 32 -2.780 -0.496 -0.519 1.00 2.28 H new ATOM 0 HE2 PHE A 32 -0.372 -2.932 2.016 1.00 1.91 H new ATOM 0 HZ PHE A 32 -2.168 -1.339 1.765 1.00 2.35 H new ATOM 484 N ARG A 33 -2.247 -2.415 -4.502 1.00 0.36 N ATOM 485 CA ARG A 33 -2.990 -1.397 -5.230 1.00 0.39 C ATOM 486 C ARG A 33 -3.743 -0.476 -4.278 1.00 0.40 C ATOM 487 O ARG A 33 -4.456 -0.935 -3.386 1.00 0.43 O ATOM 488 CB ARG A 33 -3.962 -2.062 -6.209 1.00 0.47 C ATOM 489 CG ARG A 33 -3.509 -1.988 -7.658 1.00 0.80 C ATOM 490 CD ARG A 33 -2.129 -2.600 -7.842 1.00 0.53 C ATOM 491 NE ARG A 33 -1.920 -3.072 -9.209 1.00 1.09 N ATOM 492 CZ ARG A 33 -0.721 -3.303 -9.733 1.00 1.56 C ATOM 493 NH1 ARG A 33 0.371 -3.117 -9.005 1.00 2.10 N ATOM 494 NH2 ARG A 33 -0.613 -3.722 -10.986 1.00 2.12 N ATOM 0 H ARG A 33 -2.830 -3.114 -4.042 1.00 0.36 H new ATOM 0 HA ARG A 33 -2.279 -0.788 -5.789 1.00 0.39 H new ATOM 0 HB2 ARG A 33 -4.088 -3.108 -5.929 1.00 0.47 H new ATOM 0 HB3 ARG A 33 -4.939 -1.587 -6.117 1.00 0.47 H new ATOM 0 HG2 ARG A 33 -4.227 -2.509 -8.292 1.00 0.80 H new ATOM 0 HG3 ARG A 33 -3.493 -0.948 -7.983 1.00 0.80 H new ATOM 0 HD2 ARG A 33 -1.368 -1.861 -7.593 1.00 0.53 H new ATOM 0 HD3 ARG A 33 -2.005 -3.431 -7.148 1.00 0.53 H new ATOM 0 HE ARG A 33 -2.740 -3.233 -9.794 1.00 1.09 H new ATOM 0 HH11 ARG A 33 0.292 -2.796 -8.040 1.00 2.10 H new ATOM 0 HH12 ARG A 33 1.290 -3.295 -9.410 1.00 2.10 H new ATOM 0 HH21 ARG A 33 -1.451 -3.867 -11.549 1.00 2.12 H new ATOM 0 HH22 ARG A 33 0.308 -3.899 -11.387 1.00 2.12 H new ATOM 508 N CYS A 34 -3.575 0.829 -4.475 1.00 0.39 N ATOM 509 CA CYS A 34 -4.235 1.824 -3.637 1.00 0.41 C ATOM 510 C CYS A 34 -4.477 3.112 -4.422 1.00 0.41 C ATOM 511 O CYS A 34 -3.896 4.153 -4.117 1.00 0.47 O ATOM 512 CB CYS A 34 -3.384 2.120 -2.402 1.00 0.44 C ATOM 513 SG CYS A 34 -4.347 2.383 -0.878 1.00 0.94 S ATOM 0 H CYS A 34 -2.986 1.222 -5.209 1.00 0.39 H new ATOM 0 HA CYS A 34 -5.197 1.423 -3.320 1.00 0.41 H new ATOM 0 HB2 CYS A 34 -2.693 1.292 -2.244 1.00 0.44 H new ATOM 0 HB3 CYS A 34 -2.780 3.007 -2.595 1.00 0.44 H new ATOM 518 N PRO A 35 -5.341 3.056 -5.449 1.00 0.41 N ATOM 519 CA PRO A 35 -5.658 4.222 -6.282 1.00 0.44 C ATOM 520 C PRO A 35 -6.398 5.304 -5.504 1.00 0.34 C ATOM 521 O PRO A 35 -7.418 5.039 -4.871 1.00 0.34 O ATOM 522 CB PRO A 35 -6.554 3.647 -7.382 1.00 0.57 C ATOM 523 CG PRO A 35 -7.135 2.409 -6.791 1.00 0.54 C ATOM 524 CD PRO A 35 -6.077 1.853 -5.882 1.00 0.44 C ATOM 0 HA PRO A 35 -4.758 4.707 -6.660 1.00 0.44 H new ATOM 0 HB2 PRO A 35 -7.334 4.353 -7.666 1.00 0.57 H new ATOM 0 HB3 PRO A 35 -5.982 3.425 -8.283 1.00 0.57 H new ATOM 0 HG2 PRO A 35 -8.048 2.631 -6.238 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -7.399 1.692 -7.568 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -6.512 1.320 -5.036 1.00 0.44 H new ATOM 0 HD3 PRO A 35 -5.428 1.149 -6.403 1.00 0.44 H new ATOM 532 N ALA A 36 -5.874 6.524 -5.556 1.00 0.35 N ATOM 533 CA ALA A 36 -6.483 7.644 -4.854 1.00 0.33 C ATOM 534 C ALA A 36 -6.105 8.971 -5.504 1.00 0.32 C ATOM 535 O ALA A 36 -4.934 9.352 -5.525 1.00 0.38 O ATOM 536 CB ALA A 36 -6.070 7.632 -3.391 1.00 0.40 C ATOM 0 H ALA A 36 -5.030 6.761 -6.077 1.00 0.35 H new ATOM 0 HA ALA A 36 -7.566 7.537 -4.916 1.00 0.33 H new ATOM 0 HB1 ALA A 36 -6.532 8.474 -2.876 1.00 0.40 H new ATOM 0 HB2 ALA A 36 -6.396 6.701 -2.928 1.00 0.40 H new ATOM 0 HB3 ALA A 36 -4.985 7.712 -3.318 1.00 0.40 H new ATOM 542 N GLY A 37 -7.103 9.675 -6.030 1.00 0.33 N ATOM 543 CA GLY A 37 -6.854 10.953 -6.667 1.00 0.36 C ATOM 544 C GLY A 37 -6.890 12.102 -5.678 1.00 0.35 C ATOM 545 O GLY A 37 -7.798 12.186 -4.854 1.00 0.37 O ATOM 0 H GLY A 37 -8.080 9.382 -6.026 1.00 0.33 H new ATOM 0 HA2 GLY A 37 -5.881 10.929 -7.158 1.00 0.36 H new ATOM 0 HA3 GLY A 37 -7.600 11.121 -7.444 1.00 0.36 H new ATOM 549 N GLY A 38 -5.897 12.983 -5.752 1.00 0.36 N ATOM 550 CA GLY A 38 -5.849 14.109 -4.838 1.00 0.39 C ATOM 551 C GLY A 38 -4.777 15.116 -5.192 1.00 0.37 C ATOM 552 O GLY A 38 -4.573 15.437 -6.363 1.00 0.42 O ATOM 0 H GLY A 38 -5.130 12.938 -6.423 1.00 0.36 H new ATOM 0 HA2 GLY A 38 -6.819 14.607 -4.833 1.00 0.39 H new ATOM 0 HA3 GLY A 38 -5.674 13.741 -3.827 1.00 0.39 H new ATOM 556 N ASN A 39 -4.092 15.620 -4.168 1.00 0.40 N ATOM 557 CA ASN A 39 -3.036 16.605 -4.365 1.00 0.47 C ATOM 558 C ASN A 39 -1.813 15.984 -5.043 1.00 0.36 C ATOM 559 O ASN A 39 -1.700 14.761 -5.138 1.00 0.34 O ATOM 560 CB ASN A 39 -2.648 17.223 -3.010 1.00 0.70 C ATOM 561 CG ASN A 39 -1.595 16.424 -2.250 1.00 2.04 C ATOM 562 OD1 ASN A 39 -0.484 16.900 -2.023 1.00 2.41 O ATOM 563 ND2 ASN A 39 -1.945 15.206 -1.854 1.00 2.89 N ATOM 0 H ASN A 39 -4.251 15.361 -3.194 1.00 0.40 H new ATOM 0 HA ASN A 39 -3.412 17.388 -5.024 1.00 0.47 H new ATOM 0 HB2 ASN A 39 -2.275 18.234 -3.175 1.00 0.70 H new ATOM 0 HB3 ASN A 39 -3.541 17.310 -2.392 1.00 0.70 H new ATOM 0 HD21 ASN A 39 -1.281 14.626 -1.340 1.00 2.89 H new ATOM 0 HD22 ASN A 39 -2.878 14.850 -2.064 1.00 2.89 H new ATOM 570 N PRO A 40 -0.866 16.823 -5.499 1.00 0.39 N ATOM 571 CA PRO A 40 0.359 16.356 -6.135 1.00 0.39 C ATOM 572 C PRO A 40 1.423 15.971 -5.105 1.00 0.34 C ATOM 573 O PRO A 40 2.444 15.371 -5.446 1.00 0.40 O ATOM 574 CB PRO A 40 0.804 17.565 -6.951 1.00 0.51 C ATOM 575 CG PRO A 40 0.301 18.751 -6.194 1.00 0.52 C ATOM 576 CD PRO A 40 -0.904 18.296 -5.402 1.00 0.53 C ATOM 0 HA PRO A 40 0.206 15.458 -6.734 1.00 0.39 H new ATOM 0 HB2 PRO A 40 1.889 17.594 -7.054 1.00 0.51 H new ATOM 0 HB3 PRO A 40 0.389 17.535 -7.958 1.00 0.51 H new ATOM 0 HG2 PRO A 40 1.073 19.140 -5.530 1.00 0.52 H new ATOM 0 HG3 PRO A 40 0.031 19.557 -6.876 1.00 0.52 H new ATOM 0 HD2 PRO A 40 -0.848 18.628 -4.365 1.00 0.53 H new ATOM 0 HD3 PRO A 40 -1.828 18.699 -5.816 1.00 0.53 H new ATOM 584 N MET A 41 1.172 16.318 -3.841 1.00 0.31 N ATOM 585 CA MET A 41 2.092 16.010 -2.749 1.00 0.33 C ATOM 586 C MET A 41 1.451 15.036 -1.761 1.00 0.32 C ATOM 587 O MET A 41 1.027 15.435 -0.677 1.00 0.36 O ATOM 588 CB MET A 41 2.470 17.301 -2.014 1.00 0.39 C ATOM 589 CG MET A 41 3.600 17.128 -1.016 1.00 0.47 C ATOM 590 SD MET A 41 5.198 16.871 -1.811 1.00 1.30 S ATOM 591 CE MET A 41 5.644 18.554 -2.231 1.00 1.83 C ATOM 0 H MET A 41 0.331 16.817 -3.549 1.00 0.31 H new ATOM 0 HA MET A 41 2.985 15.548 -3.170 1.00 0.33 H new ATOM 0 HB2 MET A 41 2.757 18.055 -2.747 1.00 0.39 H new ATOM 0 HB3 MET A 41 1.592 17.682 -1.492 1.00 0.39 H new ATOM 0 HG2 MET A 41 3.654 18.010 -0.378 1.00 0.47 H new ATOM 0 HG3 MET A 41 3.380 16.279 -0.368 1.00 0.47 H new ATOM 0 HE1 MET A 41 6.613 18.560 -2.731 1.00 1.83 H new ATOM 0 HE2 MET A 41 4.890 18.975 -2.896 1.00 1.83 H new ATOM 0 HE3 MET A 41 5.701 19.153 -1.322 1.00 1.83 H new ATOM 601 N PRO A 42 1.355 13.743 -2.123 1.00 0.32 N ATOM 602 CA PRO A 42 0.749 12.727 -1.269 1.00 0.34 C ATOM 603 C PRO A 42 1.755 12.022 -0.364 1.00 0.35 C ATOM 604 O PRO A 42 2.855 11.671 -0.792 1.00 0.43 O ATOM 605 CB PRO A 42 0.194 11.751 -2.297 1.00 0.40 C ATOM 606 CG PRO A 42 1.192 11.779 -3.407 1.00 0.42 C ATOM 607 CD PRO A 42 1.807 13.162 -3.401 1.00 0.36 C ATOM 0 HA PRO A 42 0.016 13.147 -0.580 1.00 0.34 H new ATOM 0 HB2 PRO A 42 0.091 10.749 -1.880 1.00 0.40 H new ATOM 0 HB3 PRO A 42 -0.794 12.056 -2.642 1.00 0.40 H new ATOM 0 HG2 PRO A 42 1.955 11.015 -3.261 1.00 0.42 H new ATOM 0 HG3 PRO A 42 0.713 11.572 -4.364 1.00 0.42 H new ATOM 0 HD2 PRO A 42 2.895 13.116 -3.457 1.00 0.36 H new ATOM 0 HD3 PRO A 42 1.469 13.754 -4.251 1.00 0.36 H new ATOM 615 N THR A 43 1.356 11.796 0.884 1.00 0.32 N ATOM 616 CA THR A 43 2.204 11.110 1.851 1.00 0.35 C ATOM 617 C THR A 43 1.517 9.836 2.329 1.00 0.37 C ATOM 618 O THR A 43 0.585 9.886 3.131 1.00 0.48 O ATOM 619 CB THR A 43 2.514 12.005 3.064 1.00 0.41 C ATOM 620 OG1 THR A 43 2.524 13.383 2.669 1.00 0.94 O ATOM 621 CG2 THR A 43 3.857 11.640 3.680 1.00 1.00 C ATOM 0 H THR A 43 0.447 12.080 1.250 1.00 0.32 H new ATOM 0 HA THR A 43 3.143 10.865 1.355 1.00 0.35 H new ATOM 0 HB THR A 43 1.735 11.847 3.810 1.00 0.41 H new ATOM 0 HG1 THR A 43 2.720 13.945 3.447 1.00 0.94 H new ATOM 0 HG21 THR A 43 4.053 12.287 4.535 1.00 1.00 H new ATOM 0 HG22 THR A 43 3.836 10.601 4.008 1.00 1.00 H new ATOM 0 HG23 THR A 43 4.645 11.771 2.938 1.00 1.00 H new ATOM 629 N MET A 44 1.966 8.694 1.824 1.00 0.35 N ATOM 630 CA MET A 44 1.363 7.420 2.199 1.00 0.41 C ATOM 631 C MET A 44 2.345 6.516 2.932 1.00 0.38 C ATOM 632 O MET A 44 3.543 6.508 2.647 1.00 0.40 O ATOM 633 CB MET A 44 0.813 6.703 0.960 1.00 0.49 C ATOM 634 CG MET A 44 1.748 6.731 -0.239 1.00 0.86 C ATOM 635 SD MET A 44 0.923 6.248 -1.767 1.00 1.82 S ATOM 636 CE MET A 44 1.938 4.865 -2.279 1.00 2.30 C ATOM 0 H MET A 44 2.737 8.622 1.161 1.00 0.35 H new ATOM 0 HA MET A 44 0.543 7.640 2.883 1.00 0.41 H new ATOM 0 HB2 MET A 44 0.601 5.665 1.218 1.00 0.49 H new ATOM 0 HB3 MET A 44 -0.135 7.162 0.679 1.00 0.49 H new ATOM 0 HG2 MET A 44 2.158 7.734 -0.353 1.00 0.86 H new ATOM 0 HG3 MET A 44 2.589 6.062 -0.056 1.00 0.86 H new ATOM 0 HE1 MET A 44 1.608 4.513 -3.256 1.00 2.30 H new ATOM 0 HE2 MET A 44 2.979 5.181 -2.340 1.00 2.30 H new ATOM 0 HE3 MET A 44 1.846 4.057 -1.553 1.00 2.30 H new ATOM 646 N ARG A 45 1.810 5.743 3.871 1.00 0.36 N ATOM 647 CA ARG A 45 2.604 4.810 4.657 1.00 0.34 C ATOM 648 C ARG A 45 2.149 3.382 4.377 1.00 0.32 C ATOM 649 O ARG A 45 0.989 3.149 4.032 1.00 0.34 O ATOM 650 CB ARG A 45 2.474 5.123 6.150 1.00 0.37 C ATOM 651 CG ARG A 45 2.890 6.538 6.513 1.00 0.66 C ATOM 652 CD ARG A 45 2.065 7.083 7.668 1.00 0.88 C ATOM 653 NE ARG A 45 2.067 6.182 8.818 1.00 1.57 N ATOM 654 CZ ARG A 45 1.224 6.289 9.839 1.00 2.04 C ATOM 655 NH1 ARG A 45 0.316 7.256 9.857 1.00 2.22 N ATOM 656 NH2 ARG A 45 1.289 5.429 10.847 1.00 2.89 N ATOM 0 H ARG A 45 0.818 5.746 4.107 1.00 0.36 H new ATOM 0 HA ARG A 45 3.651 4.913 4.373 1.00 0.34 H new ATOM 0 HB2 ARG A 45 1.440 4.967 6.457 1.00 0.37 H new ATOM 0 HB3 ARG A 45 3.084 4.418 6.715 1.00 0.37 H new ATOM 0 HG2 ARG A 45 3.946 6.550 6.782 1.00 0.66 H new ATOM 0 HG3 ARG A 45 2.775 7.186 5.644 1.00 0.66 H new ATOM 0 HD2 ARG A 45 2.459 8.054 7.968 1.00 0.88 H new ATOM 0 HD3 ARG A 45 1.039 7.244 7.336 1.00 0.88 H new ATOM 0 HE ARG A 45 2.754 5.429 8.838 1.00 1.57 H new ATOM 0 HH11 ARG A 45 0.263 7.921 9.085 1.00 2.22 H new ATOM 0 HH12 ARG A 45 -0.330 7.335 10.643 1.00 2.22 H new ATOM 0 HH21 ARG A 45 1.987 4.685 10.838 1.00 2.89 H new ATOM 0 HH22 ARG A 45 0.641 5.512 11.631 1.00 2.89 H new ATOM 670 N TRP A 46 3.061 2.428 4.524 1.00 0.31 N ATOM 671 CA TRP A 46 2.730 1.031 4.276 1.00 0.31 C ATOM 672 C TRP A 46 2.909 0.184 5.533 1.00 0.26 C ATOM 673 O TRP A 46 4.006 0.097 6.090 1.00 0.29 O ATOM 674 CB TRP A 46 3.589 0.472 3.140 1.00 0.39 C ATOM 675 CG TRP A 46 3.865 1.468 2.055 1.00 0.70 C ATOM 676 CD1 TRP A 46 3.183 1.608 0.880 1.00 1.52 C ATOM 677 CD2 TRP A 46 4.897 2.460 2.041 1.00 1.34 C ATOM 678 NE1 TRP A 46 3.729 2.627 0.137 1.00 1.62 N ATOM 679 CE2 TRP A 46 4.783 3.166 0.828 1.00 1.46 C ATOM 680 CE3 TRP A 46 5.908 2.821 2.937 1.00 2.43 C ATOM 681 CZ2 TRP A 46 5.639 4.211 0.490 1.00 2.14 C ATOM 682 CZ3 TRP A 46 6.757 3.858 2.600 1.00 3.28 C ATOM 683 CH2 TRP A 46 6.618 4.542 1.386 1.00 3.02 C ATOM 0 H TRP A 46 4.026 2.594 4.811 1.00 0.31 H new ATOM 0 HA TRP A 46 1.681 0.986 3.985 1.00 0.31 H new ATOM 0 HB2 TRP A 46 4.536 0.121 3.550 1.00 0.39 H new ATOM 0 HB3 TRP A 46 3.088 -0.394 2.708 1.00 0.39 H new ATOM 0 HD1 TRP A 46 2.338 1.006 0.579 1.00 1.52 H new ATOM 0 HE1 TRP A 46 3.403 2.933 -0.780 1.00 1.62 H new ATOM 0 HE3 TRP A 46 6.023 2.299 3.875 1.00 2.43 H new ATOM 0 HZ2 TRP A 46 5.534 4.741 -0.445 1.00 2.14 H new ATOM 0 HZ3 TRP A 46 7.541 4.146 3.285 1.00 3.28 H new ATOM 0 HH2 TRP A 46 7.298 5.348 1.152 1.00 3.02 H new ATOM 694 N LEU A 47 1.815 -0.439 5.964 1.00 0.25 N ATOM 695 CA LEU A 47 1.820 -1.287 7.149 1.00 0.26 C ATOM 696 C LEU A 47 1.144 -2.622 6.850 1.00 0.24 C ATOM 697 O LEU A 47 0.009 -2.659 6.377 1.00 0.31 O ATOM 698 CB LEU A 47 1.097 -0.583 8.301 1.00 0.37 C ATOM 699 CG LEU A 47 1.642 -0.887 9.697 1.00 0.80 C ATOM 700 CD1 LEU A 47 1.620 -2.384 9.962 1.00 1.58 C ATOM 701 CD2 LEU A 47 3.051 -0.335 9.853 1.00 1.53 C ATOM 0 H LEU A 47 0.907 -0.370 5.504 1.00 0.25 H new ATOM 0 HA LEU A 47 2.854 -1.475 7.438 1.00 0.26 H new ATOM 0 HB2 LEU A 47 1.147 0.493 8.136 1.00 0.37 H new ATOM 0 HB3 LEU A 47 0.044 -0.862 8.271 1.00 0.37 H new ATOM 0 HG LEU A 47 1.001 -0.399 10.431 1.00 0.80 H new ATOM 0 HD11 LEU A 47 2.011 -2.583 10.960 1.00 1.58 H new ATOM 0 HD12 LEU A 47 0.596 -2.750 9.894 1.00 1.58 H new ATOM 0 HD13 LEU A 47 2.237 -2.894 9.222 1.00 1.58 H new ATOM 0 HD21 LEU A 47 3.422 -0.561 10.853 1.00 1.53 H new ATOM 0 HD22 LEU A 47 3.705 -0.793 9.111 1.00 1.53 H new ATOM 0 HD23 LEU A 47 3.037 0.745 9.707 1.00 1.53 H new ATOM 713 N LYS A 48 1.850 -3.714 7.121 1.00 0.22 N ATOM 714 CA LYS A 48 1.315 -5.047 6.872 1.00 0.25 C ATOM 715 C LYS A 48 1.346 -5.902 8.135 1.00 0.26 C ATOM 716 O LYS A 48 2.413 -6.283 8.617 1.00 0.31 O ATOM 717 CB LYS A 48 2.085 -5.752 5.747 1.00 0.34 C ATOM 718 CG LYS A 48 3.447 -5.145 5.432 1.00 0.41 C ATOM 719 CD LYS A 48 3.988 -5.663 4.109 1.00 0.88 C ATOM 720 CE LYS A 48 4.456 -7.106 4.225 1.00 0.73 C ATOM 721 NZ LYS A 48 5.933 -7.198 4.378 1.00 1.37 N ATOM 0 H LYS A 48 2.792 -3.703 7.512 1.00 0.22 H new ATOM 0 HA LYS A 48 0.277 -4.924 6.562 1.00 0.25 H new ATOM 0 HB2 LYS A 48 2.223 -6.798 6.019 1.00 0.34 H new ATOM 0 HB3 LYS A 48 1.477 -5.735 4.843 1.00 0.34 H new ATOM 0 HG2 LYS A 48 3.364 -4.059 5.393 1.00 0.41 H new ATOM 0 HG3 LYS A 48 4.148 -5.383 6.232 1.00 0.41 H new ATOM 0 HD2 LYS A 48 3.214 -5.591 3.345 1.00 0.88 H new ATOM 0 HD3 LYS A 48 4.817 -5.035 3.783 1.00 0.88 H new ATOM 0 HE2 LYS A 48 3.972 -7.577 5.080 1.00 0.73 H new ATOM 0 HE3 LYS A 48 4.147 -7.660 3.339 1.00 0.73 H new ATOM 0 HZ1 LYS A 48 6.319 -7.832 3.649 1.00 1.37 H new ATOM 0 HZ2 LYS A 48 6.353 -6.252 4.272 1.00 1.37 H new ATOM 0 HZ3 LYS A 48 6.162 -7.575 5.320 1.00 1.37 H new ATOM 735 N ASN A 49 0.163 -6.207 8.654 1.00 0.28 N ATOM 736 CA ASN A 49 0.031 -7.028 9.853 1.00 0.35 C ATOM 737 C ASN A 49 0.956 -6.549 10.970 1.00 0.39 C ATOM 738 O ASN A 49 1.429 -7.348 11.777 1.00 0.50 O ATOM 739 CB ASN A 49 0.329 -8.491 9.524 1.00 0.38 C ATOM 740 CG ASN A 49 -0.397 -9.449 10.448 1.00 0.75 C ATOM 741 OD1 ASN A 49 -0.615 -9.153 11.623 1.00 1.53 O ATOM 742 ND2 ASN A 49 -0.778 -10.607 9.919 1.00 1.32 N ATOM 0 H ASN A 49 -0.725 -5.896 8.261 1.00 0.28 H new ATOM 0 HA ASN A 49 -0.996 -6.935 10.205 1.00 0.35 H new ATOM 0 HB2 ASN A 49 0.040 -8.695 8.493 1.00 0.38 H new ATOM 0 HB3 ASN A 49 1.403 -8.665 9.595 1.00 0.38 H new ATOM 0 HD21 ASN A 49 -1.272 -11.291 10.492 1.00 1.32 H new ATOM 0 HD22 ASN A 49 -0.577 -10.811 8.940 1.00 1.32 H new ATOM 749 N GLY A 50 1.201 -5.244 11.021 1.00 0.38 N ATOM 750 CA GLY A 50 2.061 -4.698 12.058 1.00 0.45 C ATOM 751 C GLY A 50 3.464 -4.381 11.570 1.00 0.48 C ATOM 752 O GLY A 50 4.275 -3.840 12.322 1.00 0.68 O ATOM 0 H GLY A 50 0.823 -4.557 10.368 1.00 0.38 H new ATOM 0 HA2 GLY A 50 1.608 -3.790 12.455 1.00 0.45 H new ATOM 0 HA3 GLY A 50 2.122 -5.410 12.881 1.00 0.45 H new ATOM 756 N LYS A 51 3.759 -4.715 10.317 1.00 0.36 N ATOM 757 CA LYS A 51 5.079 -4.458 9.754 1.00 0.39 C ATOM 758 C LYS A 51 5.050 -3.272 8.796 1.00 0.38 C ATOM 759 O LYS A 51 4.169 -3.158 7.949 1.00 0.39 O ATOM 760 CB LYS A 51 5.608 -5.705 9.030 1.00 0.42 C ATOM 761 CG LYS A 51 6.823 -5.433 8.150 1.00 0.53 C ATOM 762 CD LYS A 51 8.007 -6.307 8.519 1.00 0.75 C ATOM 763 CE LYS A 51 9.019 -6.374 7.383 1.00 0.82 C ATOM 764 NZ LYS A 51 10.411 -6.543 7.884 1.00 1.36 N ATOM 0 H LYS A 51 3.104 -5.162 9.675 1.00 0.36 H new ATOM 0 HA LYS A 51 5.749 -4.215 10.578 1.00 0.39 H new ATOM 0 HB2 LYS A 51 5.869 -6.461 9.771 1.00 0.42 H new ATOM 0 HB3 LYS A 51 4.811 -6.123 8.415 1.00 0.42 H new ATOM 0 HG2 LYS A 51 6.559 -5.604 7.106 1.00 0.53 H new ATOM 0 HG3 LYS A 51 7.106 -4.384 8.239 1.00 0.53 H new ATOM 0 HD2 LYS A 51 8.488 -5.913 9.415 1.00 0.75 H new ATOM 0 HD3 LYS A 51 7.659 -7.312 8.759 1.00 0.75 H new ATOM 0 HE2 LYS A 51 8.768 -7.204 6.723 1.00 0.82 H new ATOM 0 HE3 LYS A 51 8.956 -5.463 6.788 1.00 0.82 H new ATOM 0 HZ1 LYS A 51 11.067 -6.584 7.078 1.00 1.36 H new ATOM 0 HZ2 LYS A 51 10.661 -5.738 8.494 1.00 1.36 H new ATOM 0 HZ3 LYS A 51 10.479 -7.425 8.431 1.00 1.36 H new ATOM 778 N GLU A 52 6.050 -2.413 8.916 1.00 0.38 N ATOM 779 CA GLU A 52 6.174 -1.260 8.043 1.00 0.39 C ATOM 780 C GLU A 52 7.245 -1.535 7.002 1.00 0.43 C ATOM 781 O GLU A 52 8.256 -2.169 7.304 1.00 0.49 O ATOM 782 CB GLU A 52 6.538 -0.013 8.846 1.00 0.44 C ATOM 783 CG GLU A 52 7.922 -0.072 9.470 1.00 1.03 C ATOM 784 CD GLU A 52 8.824 1.051 8.997 1.00 1.38 C ATOM 785 OE1 GLU A 52 9.514 0.867 7.971 1.00 1.90 O ATOM 786 OE2 GLU A 52 8.842 2.114 9.651 1.00 1.71 O ATOM 0 H GLU A 52 6.790 -2.495 9.613 1.00 0.38 H new ATOM 0 HA GLU A 52 5.218 -1.083 7.551 1.00 0.39 H new ATOM 0 HB2 GLU A 52 6.480 0.858 8.194 1.00 0.44 H new ATOM 0 HB3 GLU A 52 5.799 0.129 9.635 1.00 0.44 H new ATOM 0 HG2 GLU A 52 7.829 -0.026 10.555 1.00 1.03 H new ATOM 0 HG3 GLU A 52 8.384 -1.030 9.230 1.00 1.03 H new ATOM 793 N PHE A 53 7.043 -1.056 5.784 1.00 0.43 N ATOM 794 CA PHE A 53 8.030 -1.263 4.734 1.00 0.50 C ATOM 795 C PHE A 53 8.190 -0.012 3.876 1.00 0.56 C ATOM 796 O PHE A 53 7.226 0.477 3.285 1.00 0.70 O ATOM 797 CB PHE A 53 7.663 -2.478 3.879 1.00 0.57 C ATOM 798 CG PHE A 53 6.513 -2.253 2.940 1.00 1.46 C ATOM 799 CD1 PHE A 53 6.708 -1.625 1.719 1.00 1.99 C ATOM 800 CD2 PHE A 53 5.241 -2.684 3.273 1.00 2.42 C ATOM 801 CE1 PHE A 53 5.652 -1.430 0.850 1.00 3.14 C ATOM 802 CE2 PHE A 53 4.182 -2.495 2.406 1.00 3.55 C ATOM 803 CZ PHE A 53 4.387 -1.866 1.193 1.00 3.85 C ATOM 0 H PHE A 53 6.217 -0.529 5.500 1.00 0.43 H new ATOM 0 HA PHE A 53 8.992 -1.462 5.207 1.00 0.50 H new ATOM 0 HB2 PHE A 53 8.537 -2.776 3.299 1.00 0.57 H new ATOM 0 HB3 PHE A 53 7.420 -3.311 4.539 1.00 0.57 H new ATOM 0 HD1 PHE A 53 7.696 -1.285 1.445 1.00 1.99 H new ATOM 0 HD2 PHE A 53 5.074 -3.174 4.221 1.00 2.42 H new ATOM 0 HE1 PHE A 53 5.815 -0.937 -0.097 1.00 3.14 H new ATOM 0 HE2 PHE A 53 3.194 -2.839 2.676 1.00 3.55 H new ATOM 0 HZ PHE A 53 3.560 -1.716 0.515 1.00 3.85 H new ATOM 813 N LYS A 54 9.414 0.502 3.813 1.00 0.64 N ATOM 814 CA LYS A 54 9.702 1.699 3.029 1.00 0.77 C ATOM 815 C LYS A 54 10.932 1.493 2.150 1.00 1.29 C ATOM 816 O LYS A 54 11.564 0.436 2.184 1.00 1.12 O ATOM 817 CB LYS A 54 9.918 2.901 3.950 1.00 0.86 C ATOM 818 CG LYS A 54 9.013 2.900 5.173 1.00 1.43 C ATOM 819 CD LYS A 54 8.816 4.305 5.721 1.00 1.82 C ATOM 820 CE LYS A 54 7.881 4.310 6.919 1.00 2.44 C ATOM 821 NZ LYS A 54 8.232 5.379 7.895 1.00 3.19 N ATOM 0 H LYS A 54 10.222 0.109 4.295 1.00 0.64 H new ATOM 0 HA LYS A 54 8.844 1.893 2.385 1.00 0.77 H new ATOM 0 HB2 LYS A 54 10.958 2.915 4.277 1.00 0.86 H new ATOM 0 HB3 LYS A 54 9.749 3.817 3.384 1.00 0.86 H new ATOM 0 HG2 LYS A 54 8.046 2.472 4.911 1.00 1.43 H new ATOM 0 HG3 LYS A 54 9.444 2.264 5.946 1.00 1.43 H new ATOM 0 HD2 LYS A 54 9.781 4.723 6.009 1.00 1.82 H new ATOM 0 HD3 LYS A 54 8.411 4.948 4.939 1.00 1.82 H new ATOM 0 HE2 LYS A 54 6.856 4.453 6.578 1.00 2.44 H new ATOM 0 HE3 LYS A 54 7.920 3.340 7.414 1.00 2.44 H new ATOM 0 HZ1 LYS A 54 7.570 5.348 8.697 1.00 3.19 H new ATOM 0 HZ2 LYS A 54 9.202 5.229 8.240 1.00 3.19 H new ATOM 0 HZ3 LYS A 54 8.170 6.307 7.430 1.00 3.19 H new ATOM 885 N ARG A 58 13.858 -3.352 2.038 1.00 1.00 N ATOM 886 CA ARG A 58 12.907 -4.220 1.352 1.00 0.92 C ATOM 887 C ARG A 58 13.588 -5.518 0.932 1.00 0.69 C ATOM 888 O ARG A 58 14.730 -5.510 0.470 1.00 0.78 O ATOM 889 CB ARG A 58 12.299 -3.512 0.144 1.00 1.23 C ATOM 890 CG ARG A 58 10.834 -3.156 0.341 1.00 1.36 C ATOM 891 CD ARG A 58 9.959 -4.397 0.370 1.00 1.75 C ATOM 892 NE ARG A 58 9.785 -4.902 1.728 1.00 2.44 N ATOM 893 CZ ARG A 58 9.411 -6.146 2.010 1.00 3.22 C ATOM 894 NH1 ARG A 58 9.164 -7.004 1.032 1.00 3.53 N ATOM 895 NH2 ARG A 58 9.283 -6.529 3.273 1.00 3.98 N ATOM 0 HA ARG A 58 12.098 -4.460 2.042 1.00 0.92 H new ATOM 0 HB2 ARG A 58 12.864 -2.603 -0.060 1.00 1.23 H new ATOM 0 HB3 ARG A 58 12.397 -4.152 -0.733 1.00 1.23 H new ATOM 0 HG2 ARG A 58 10.715 -2.604 1.273 1.00 1.36 H new ATOM 0 HG3 ARG A 58 10.507 -2.498 -0.464 1.00 1.36 H new ATOM 0 HD2 ARG A 58 8.985 -4.166 -0.060 1.00 1.75 H new ATOM 0 HD3 ARG A 58 10.406 -5.172 -0.252 1.00 1.75 H new ATOM 0 HE ARG A 58 9.960 -4.264 2.505 1.00 2.44 H new ATOM 0 HH11 ARG A 58 9.261 -6.711 0.060 1.00 3.53 H new ATOM 0 HH12 ARG A 58 8.877 -7.958 1.251 1.00 3.53 H new ATOM 0 HH21 ARG A 58 9.471 -5.869 4.028 1.00 3.98 H new ATOM 0 HH22 ARG A 58 8.996 -7.483 3.490 1.00 3.98 H new ATOM 909 N ILE A 59 12.886 -6.634 1.095 1.00 0.67 N ATOM 910 CA ILE A 59 13.439 -7.934 0.743 1.00 0.66 C ATOM 911 C ILE A 59 13.626 -8.085 -0.757 1.00 0.59 C ATOM 912 O ILE A 59 12.700 -8.463 -1.475 1.00 0.57 O ATOM 913 CB ILE A 59 12.561 -9.085 1.263 1.00 0.95 C ATOM 914 CG1 ILE A 59 12.303 -8.918 2.759 1.00 1.05 C ATOM 915 CG2 ILE A 59 13.224 -10.425 0.978 1.00 1.16 C ATOM 916 CD1 ILE A 59 11.400 -9.980 3.338 1.00 1.64 C ATOM 0 H ILE A 59 11.937 -6.664 1.467 1.00 0.67 H new ATOM 0 HA ILE A 59 14.416 -7.987 1.224 1.00 0.66 H new ATOM 0 HB ILE A 59 11.603 -9.059 0.743 1.00 0.95 H new ATOM 0 HG12 ILE A 59 13.256 -8.935 3.288 1.00 1.05 H new ATOM 0 HG13 ILE A 59 11.858 -7.939 2.936 1.00 1.05 H new ATOM 0 HG21 ILE A 59 12.592 -11.231 1.351 1.00 1.16 H new ATOM 0 HG22 ILE A 59 13.363 -10.541 -0.097 1.00 1.16 H new ATOM 0 HG23 ILE A 59 14.193 -10.464 1.475 1.00 1.16 H new ATOM 0 HD11 ILE A 59 11.261 -9.798 4.404 1.00 1.64 H new ATOM 0 HD12 ILE A 59 10.433 -9.949 2.836 1.00 1.64 H new ATOM 0 HD13 ILE A 59 11.853 -10.961 3.193 1.00 1.64 H new ATOM 928 N GLY A 60 14.835 -7.798 -1.218 1.00 0.70 N ATOM 929 CA GLY A 60 15.136 -7.921 -2.626 1.00 0.77 C ATOM 930 C GLY A 60 14.870 -6.652 -3.407 1.00 0.74 C ATOM 931 O GLY A 60 15.203 -6.575 -4.590 1.00 0.79 O ATOM 0 H GLY A 60 15.613 -7.482 -0.639 1.00 0.70 H new ATOM 0 HA2 GLY A 60 16.183 -8.199 -2.744 1.00 0.77 H new ATOM 0 HA3 GLY A 60 14.541 -8.731 -3.048 1.00 0.77 H new ATOM 935 N GLY A 61 14.266 -5.650 -2.769 1.00 0.70 N ATOM 936 CA GLY A 61 13.981 -4.412 -3.473 1.00 0.72 C ATOM 937 C GLY A 61 12.528 -4.315 -3.891 1.00 0.74 C ATOM 938 O GLY A 61 11.914 -5.319 -4.253 1.00 1.20 O ATOM 0 H GLY A 61 13.973 -5.673 -1.792 1.00 0.70 H new ATOM 0 HA2 GLY A 61 14.231 -3.566 -2.833 1.00 0.72 H new ATOM 0 HA3 GLY A 61 14.617 -4.343 -4.356 1.00 0.72 H new ATOM 942 N TYR A 62 11.973 -3.109 -3.840 1.00 0.69 N ATOM 943 CA TYR A 62 10.578 -2.901 -4.216 1.00 0.84 C ATOM 944 C TYR A 62 10.418 -1.687 -5.128 1.00 0.73 C ATOM 945 O TYR A 62 11.227 -0.761 -5.098 1.00 0.97 O ATOM 946 CB TYR A 62 9.698 -2.762 -2.963 1.00 1.36 C ATOM 947 CG TYR A 62 9.601 -1.361 -2.389 1.00 1.92 C ATOM 948 CD1 TYR A 62 10.683 -0.493 -2.468 1.00 2.43 C ATOM 949 CD2 TYR A 62 8.439 -0.907 -1.778 1.00 2.32 C ATOM 950 CE1 TYR A 62 10.612 0.785 -1.953 1.00 3.07 C ATOM 951 CE2 TYR A 62 8.359 0.373 -1.262 1.00 3.05 C ATOM 952 CZ TYR A 62 9.398 1.198 -1.322 1.00 3.35 C ATOM 953 OH TYR A 62 9.377 2.488 -0.841 1.00 4.10 O ATOM 0 H TYR A 62 12.463 -2.265 -3.544 1.00 0.69 H new ATOM 0 HA TYR A 62 10.250 -3.777 -4.776 1.00 0.84 H new ATOM 0 HB2 TYR A 62 8.693 -3.108 -3.205 1.00 1.36 H new ATOM 0 HB3 TYR A 62 10.086 -3.427 -2.191 1.00 1.36 H new ATOM 0 HD1 TYR A 62 11.596 -0.824 -2.941 1.00 2.43 H new ATOM 0 HD2 TYR A 62 7.585 -1.564 -1.705 1.00 2.32 H new ATOM 0 HE1 TYR A 62 11.454 1.457 -2.025 1.00 3.07 H new ATOM 0 HE2 TYR A 62 7.439 0.706 -0.804 1.00 3.05 H new ATOM 0 HH TYR A 62 8.506 2.670 -0.431 1.00 4.10 H new ATOM 963 N LYS A 63 9.360 -1.703 -5.933 1.00 0.66 N ATOM 964 CA LYS A 63 9.078 -0.610 -6.851 1.00 0.78 C ATOM 965 C LYS A 63 7.773 0.085 -6.473 1.00 0.67 C ATOM 966 O LYS A 63 6.794 -0.566 -6.108 1.00 0.54 O ATOM 967 CB LYS A 63 8.997 -1.128 -8.288 1.00 1.11 C ATOM 968 CG LYS A 63 10.192 -1.979 -8.692 1.00 1.28 C ATOM 969 CD LYS A 63 9.865 -3.462 -8.628 1.00 1.83 C ATOM 970 CE LYS A 63 10.813 -4.278 -9.492 1.00 2.36 C ATOM 971 NZ LYS A 63 11.735 -5.111 -8.670 1.00 3.18 N ATOM 0 H LYS A 63 8.683 -2.465 -5.966 1.00 0.66 H new ATOM 0 HA LYS A 63 9.891 0.112 -6.782 1.00 0.78 H new ATOM 0 HB2 LYS A 63 8.086 -1.716 -8.404 1.00 1.11 H new ATOM 0 HB3 LYS A 63 8.918 -0.280 -8.968 1.00 1.11 H new ATOM 0 HG2 LYS A 63 10.502 -1.717 -9.704 1.00 1.28 H new ATOM 0 HG3 LYS A 63 11.034 -1.762 -8.034 1.00 1.28 H new ATOM 0 HD2 LYS A 63 9.926 -3.805 -7.595 1.00 1.83 H new ATOM 0 HD3 LYS A 63 8.839 -3.624 -8.958 1.00 1.83 H new ATOM 0 HE2 LYS A 63 10.236 -4.922 -10.156 1.00 2.36 H new ATOM 0 HE3 LYS A 63 11.395 -3.608 -10.125 1.00 2.36 H new ATOM 0 HZ1 LYS A 63 12.365 -5.652 -9.296 1.00 3.18 H new ATOM 0 HZ2 LYS A 63 12.304 -4.495 -8.055 1.00 3.18 H new ATOM 0 HZ3 LYS A 63 11.181 -5.768 -8.085 1.00 3.18 H new ATOM 985 N VAL A 64 7.770 1.409 -6.563 1.00 0.81 N ATOM 986 CA VAL A 64 6.586 2.192 -6.231 1.00 0.77 C ATOM 987 C VAL A 64 6.365 3.313 -7.241 1.00 0.82 C ATOM 988 O VAL A 64 7.315 3.963 -7.676 1.00 0.89 O ATOM 989 CB VAL A 64 6.694 2.804 -4.822 1.00 0.85 C ATOM 990 CG1 VAL A 64 6.376 1.765 -3.757 1.00 1.49 C ATOM 991 CG2 VAL A 64 8.079 3.396 -4.602 1.00 1.71 C ATOM 0 H VAL A 64 8.573 1.963 -6.863 1.00 0.81 H new ATOM 0 HA VAL A 64 5.738 1.507 -6.260 1.00 0.77 H new ATOM 0 HB VAL A 64 5.961 3.607 -4.740 1.00 0.85 H new ATOM 0 HG11 VAL A 64 6.458 2.219 -2.770 1.00 1.49 H new ATOM 0 HG12 VAL A 64 5.361 1.394 -3.902 1.00 1.49 H new ATOM 0 HG13 VAL A 64 7.080 0.937 -3.835 1.00 1.49 H new ATOM 0 HG21 VAL A 64 8.137 3.824 -3.601 1.00 1.71 H new ATOM 0 HG22 VAL A 64 8.830 2.613 -4.706 1.00 1.71 H new ATOM 0 HG23 VAL A 64 8.263 4.176 -5.341 1.00 1.71 H new ATOM 1001 N ARG A 65 5.107 3.542 -7.605 1.00 0.82 N ATOM 1002 CA ARG A 65 4.770 4.593 -8.559 1.00 0.92 C ATOM 1003 C ARG A 65 4.863 5.967 -7.902 1.00 1.03 C ATOM 1004 O ARG A 65 4.550 6.124 -6.722 1.00 1.18 O ATOM 1005 CB ARG A 65 3.363 4.375 -9.118 1.00 0.96 C ATOM 1006 CG ARG A 65 3.293 4.466 -10.634 1.00 1.51 C ATOM 1007 CD ARG A 65 4.135 3.386 -11.296 1.00 2.02 C ATOM 1008 NE ARG A 65 3.328 2.494 -12.123 1.00 2.60 N ATOM 1009 CZ ARG A 65 3.843 1.593 -12.953 1.00 3.22 C ATOM 1010 NH1 ARG A 65 5.159 1.475 -13.071 1.00 3.52 N ATOM 1011 NH2 ARG A 65 3.046 0.812 -13.669 1.00 3.99 N ATOM 0 H ARG A 65 4.306 3.016 -7.255 1.00 0.82 H new ATOM 0 HA ARG A 65 5.486 4.550 -9.379 1.00 0.92 H new ATOM 0 HB2 ARG A 65 3.003 3.395 -8.804 1.00 0.96 H new ATOM 0 HB3 ARG A 65 2.690 5.115 -8.686 1.00 0.96 H new ATOM 0 HG2 ARG A 65 2.257 4.371 -10.958 1.00 1.51 H new ATOM 0 HG3 ARG A 65 3.639 5.448 -10.957 1.00 1.51 H new ATOM 0 HD2 ARG A 65 4.905 3.852 -11.910 1.00 2.02 H new ATOM 0 HD3 ARG A 65 4.647 2.805 -10.529 1.00 2.02 H new ATOM 0 HE ARG A 65 2.312 2.566 -12.060 1.00 2.60 H new ATOM 0 HH11 ARG A 65 5.776 2.076 -12.525 1.00 3.52 H new ATOM 0 HH12 ARG A 65 5.554 0.783 -13.708 1.00 3.52 H new ATOM 0 HH21 ARG A 65 2.034 0.901 -13.584 1.00 3.99 H new ATOM 0 HH22 ARG A 65 3.445 0.122 -14.305 1.00 3.99 H new ATOM 1025 N ASN A 66 5.296 6.959 -8.673 1.00 1.03 N ATOM 1026 CA ASN A 66 5.433 8.320 -8.163 1.00 1.16 C ATOM 1027 C ASN A 66 4.168 9.135 -8.430 1.00 1.03 C ATOM 1028 O ASN A 66 4.239 10.321 -8.754 1.00 1.79 O ATOM 1029 CB ASN A 66 6.643 9.005 -8.802 1.00 1.96 C ATOM 1030 CG ASN A 66 7.752 9.273 -7.805 1.00 2.83 C ATOM 1031 OD1 ASN A 66 8.303 10.373 -7.753 1.00 3.41 O ATOM 1032 ND2 ASN A 66 8.089 8.266 -7.007 1.00 3.48 N ATOM 0 H ASN A 66 5.558 6.847 -9.652 1.00 1.03 H new ATOM 0 HA ASN A 66 5.583 8.264 -7.085 1.00 1.16 H new ATOM 0 HB2 ASN A 66 7.027 8.380 -9.608 1.00 1.96 H new ATOM 0 HB3 ASN A 66 6.328 9.947 -9.252 1.00 1.96 H new ATOM 0 HD21 ASN A 66 8.831 8.388 -6.317 1.00 3.48 H new ATOM 0 HD22 ASN A 66 7.606 7.371 -7.084 1.00 3.48 H new ATOM 1039 N GLN A 67 3.012 8.493 -8.293 1.00 1.15 N ATOM 1040 CA GLN A 67 1.737 9.161 -8.520 1.00 1.99 C ATOM 1041 C GLN A 67 0.660 8.625 -7.581 1.00 1.73 C ATOM 1042 O GLN A 67 -0.533 8.732 -7.867 1.00 2.55 O ATOM 1043 CB GLN A 67 1.294 8.980 -9.973 1.00 2.86 C ATOM 1044 CG GLN A 67 0.173 9.916 -10.391 1.00 3.88 C ATOM 1045 CD GLN A 67 0.151 10.167 -11.886 1.00 4.69 C ATOM 1046 OE1 GLN A 67 -0.012 11.302 -12.334 1.00 5.12 O ATOM 1047 NE2 GLN A 67 0.313 9.105 -12.667 1.00 5.31 N ATOM 0 H GLN A 67 2.933 7.512 -8.026 1.00 1.15 H new ATOM 0 HA GLN A 67 1.875 10.223 -8.315 1.00 1.99 H new ATOM 0 HB2 GLN A 67 2.151 9.139 -10.627 1.00 2.86 H new ATOM 0 HB3 GLN A 67 0.969 7.950 -10.119 1.00 2.86 H new ATOM 0 HG2 GLN A 67 -0.783 9.492 -10.083 1.00 3.88 H new ATOM 0 HG3 GLN A 67 0.284 10.866 -9.868 1.00 3.88 H new ATOM 0 HE21 GLN A 67 0.445 8.182 -12.252 1.00 5.31 H new ATOM 0 HE22 GLN A 67 0.305 9.212 -13.681 1.00 5.31 H new ATOM 1056 N HIS A 68 1.084 8.047 -6.461 1.00 0.89 N ATOM 1057 CA HIS A 68 0.150 7.494 -5.484 1.00 0.62 C ATOM 1058 C HIS A 68 -0.873 6.587 -6.164 1.00 0.68 C ATOM 1059 O HIS A 68 -2.031 6.968 -6.335 1.00 1.37 O ATOM 1060 CB HIS A 68 -0.574 8.620 -4.741 1.00 0.63 C ATOM 1061 CG HIS A 68 -1.447 8.132 -3.628 1.00 1.42 C ATOM 1062 ND1 HIS A 68 -1.905 8.951 -2.615 1.00 2.23 N ATOM 1063 CD2 HIS A 68 -1.948 6.901 -3.371 1.00 2.22 C ATOM 1064 CE1 HIS A 68 -2.648 8.243 -1.784 1.00 2.85 C ATOM 1065 NE2 HIS A 68 -2.690 6.998 -2.220 1.00 2.83 N ATOM 0 H HIS A 68 2.067 7.949 -6.207 1.00 0.89 H new ATOM 0 HA HIS A 68 0.722 6.903 -4.769 1.00 0.62 H new ATOM 0 HB2 HIS A 68 0.165 9.312 -4.337 1.00 0.63 H new ATOM 0 HB3 HIS A 68 -1.182 9.181 -5.450 1.00 0.63 H new ATOM 0 HD1 HIS A 68 -1.701 9.946 -2.523 1.00 2.23 H new ATOM 0 HD2 HIS A 68 -1.793 6.010 -3.961 1.00 2.22 H new ATOM 0 HE1 HIS A 68 -3.138 8.619 -0.898 1.00 2.85 H new ATOM 1074 N TRP A 69 -0.446 5.389 -6.555 1.00 0.51 N ATOM 1075 CA TRP A 69 -1.343 4.449 -7.219 1.00 0.45 C ATOM 1076 C TRP A 69 -1.039 3.000 -6.833 1.00 0.37 C ATOM 1077 O TRP A 69 -1.718 2.423 -5.987 1.00 0.44 O ATOM 1078 CB TRP A 69 -1.261 4.620 -8.736 1.00 0.56 C ATOM 1079 CG TRP A 69 -2.156 3.683 -9.487 1.00 0.93 C ATOM 1080 CD1 TRP A 69 -3.462 3.400 -9.210 1.00 1.16 C ATOM 1081 CD2 TRP A 69 -1.810 2.902 -10.636 1.00 1.62 C ATOM 1082 NE1 TRP A 69 -3.950 2.492 -10.119 1.00 1.72 N ATOM 1083 CE2 TRP A 69 -2.957 2.171 -11.004 1.00 2.01 C ATOM 1084 CE3 TRP A 69 -0.644 2.752 -11.392 1.00 2.13 C ATOM 1085 CZ2 TRP A 69 -2.968 1.305 -12.093 1.00 2.74 C ATOM 1086 CZ3 TRP A 69 -0.658 1.890 -12.473 1.00 2.88 C ATOM 1087 CH2 TRP A 69 -1.813 1.178 -12.815 1.00 3.14 C ATOM 0 H TRP A 69 0.507 5.049 -6.425 1.00 0.51 H new ATOM 0 HA TRP A 69 -2.357 4.672 -6.886 1.00 0.45 H new ATOM 0 HB2 TRP A 69 -1.523 5.646 -8.994 1.00 0.56 H new ATOM 0 HB3 TRP A 69 -0.231 4.464 -9.057 1.00 0.56 H new ATOM 0 HD1 TRP A 69 -4.029 3.827 -8.396 1.00 1.16 H new ATOM 0 HE1 TRP A 69 -4.899 2.118 -10.132 1.00 1.72 H new ATOM 0 HE3 TRP A 69 0.251 3.299 -11.137 1.00 2.13 H new ATOM 0 HZ2 TRP A 69 -3.857 0.753 -12.359 1.00 2.74 H new ATOM 0 HZ3 TRP A 69 0.238 1.764 -13.063 1.00 2.88 H new ATOM 0 HH2 TRP A 69 -1.792 0.514 -13.667 1.00 3.14 H new ATOM 1098 N SER A 70 -0.027 2.409 -7.469 1.00 0.35 N ATOM 1099 CA SER A 70 0.338 1.022 -7.192 1.00 0.33 C ATOM 1100 C SER A 70 1.765 0.912 -6.656 1.00 0.36 C ATOM 1101 O SER A 70 2.619 1.746 -6.952 1.00 0.39 O ATOM 1102 CB SER A 70 0.193 0.170 -8.455 1.00 0.40 C ATOM 1103 OG SER A 70 1.022 0.657 -9.497 1.00 1.02 O ATOM 0 H SER A 70 0.550 2.866 -8.175 1.00 0.35 H new ATOM 0 HA SER A 70 -0.342 0.652 -6.425 1.00 0.33 H new ATOM 0 HB2 SER A 70 0.454 -0.864 -8.232 1.00 0.40 H new ATOM 0 HB3 SER A 70 -0.847 0.173 -8.782 1.00 0.40 H new ATOM 0 HG SER A 70 0.513 1.280 -10.056 1.00 1.02 H new ATOM 1109 N LEU A 71 2.013 -0.145 -5.889 1.00 0.38 N ATOM 1110 CA LEU A 71 3.335 -0.408 -5.327 1.00 0.44 C ATOM 1111 C LEU A 71 3.598 -1.911 -5.300 1.00 0.44 C ATOM 1112 O LEU A 71 2.693 -2.692 -5.004 1.00 0.52 O ATOM 1113 CB LEU A 71 3.444 0.174 -3.915 1.00 0.51 C ATOM 1114 CG LEU A 71 2.141 0.187 -3.118 1.00 0.63 C ATOM 1115 CD1 LEU A 71 2.358 -0.409 -1.735 1.00 0.98 C ATOM 1116 CD2 LEU A 71 1.598 1.602 -3.009 1.00 0.80 C ATOM 0 H LEU A 71 1.309 -0.840 -5.640 1.00 0.38 H new ATOM 0 HA LEU A 71 4.084 0.073 -5.956 1.00 0.44 H new ATOM 0 HB2 LEU A 71 4.186 -0.399 -3.359 1.00 0.51 H new ATOM 0 HB3 LEU A 71 3.818 1.195 -3.987 1.00 0.51 H new ATOM 0 HG LEU A 71 1.408 -0.423 -3.645 1.00 0.63 H new ATOM 0 HD11 LEU A 71 1.420 -0.392 -1.180 1.00 0.98 H new ATOM 0 HD12 LEU A 71 2.704 -1.438 -1.832 1.00 0.98 H new ATOM 0 HD13 LEU A 71 3.106 0.176 -1.200 1.00 0.98 H new ATOM 0 HD21 LEU A 71 0.670 1.592 -2.438 1.00 0.80 H new ATOM 0 HD22 LEU A 71 2.328 2.234 -2.504 1.00 0.80 H new ATOM 0 HD23 LEU A 71 1.406 1.996 -4.007 1.00 0.80 H new ATOM 1128 N ILE A 72 4.825 -2.324 -5.602 1.00 0.39 N ATOM 1129 CA ILE A 72 5.150 -3.747 -5.595 1.00 0.39 C ATOM 1130 C ILE A 72 6.356 -4.053 -4.717 1.00 0.36 C ATOM 1131 O ILE A 72 7.449 -3.529 -4.935 1.00 0.38 O ATOM 1132 CB ILE A 72 5.410 -4.290 -7.013 1.00 0.42 C ATOM 1133 CG1 ILE A 72 5.601 -5.816 -6.967 1.00 0.44 C ATOM 1134 CG2 ILE A 72 6.610 -3.594 -7.642 1.00 0.45 C ATOM 1135 CD1 ILE A 72 6.993 -6.269 -6.562 1.00 1.12 C ATOM 0 H ILE A 72 5.598 -1.707 -5.850 1.00 0.39 H new ATOM 0 HA ILE A 72 4.274 -4.247 -5.181 1.00 0.39 H new ATOM 0 HB ILE A 72 4.544 -4.077 -7.639 1.00 0.42 H new ATOM 0 HG12 ILE A 72 4.879 -6.238 -6.268 1.00 0.44 H new ATOM 0 HG13 ILE A 72 5.371 -6.227 -7.950 1.00 0.44 H new ATOM 0 HG21 ILE A 72 6.777 -3.991 -8.643 1.00 0.45 H new ATOM 0 HG22 ILE A 72 6.418 -2.523 -7.704 1.00 0.45 H new ATOM 0 HG23 ILE A 72 7.494 -3.769 -7.030 1.00 0.45 H new ATOM 0 HD11 ILE A 72 7.034 -7.358 -6.557 1.00 1.12 H new ATOM 0 HD12 ILE A 72 7.723 -5.882 -7.273 1.00 1.12 H new ATOM 0 HD13 ILE A 72 7.222 -5.893 -5.565 1.00 1.12 H new ATOM 1147 N MET A 73 6.145 -4.915 -3.726 1.00 0.36 N ATOM 1148 CA MET A 73 7.203 -5.316 -2.805 1.00 0.36 C ATOM 1149 C MET A 73 7.361 -6.830 -2.786 1.00 0.33 C ATOM 1150 O MET A 73 6.379 -7.572 -2.777 1.00 0.43 O ATOM 1151 CB MET A 73 6.909 -4.804 -1.391 1.00 0.43 C ATOM 1152 CG MET A 73 5.426 -4.699 -1.072 1.00 0.83 C ATOM 1153 SD MET A 73 5.056 -5.077 0.652 1.00 1.86 S ATOM 1154 CE MET A 73 5.435 -6.825 0.703 1.00 2.56 C ATOM 0 H MET A 73 5.242 -5.352 -3.540 1.00 0.36 H new ATOM 0 HA MET A 73 8.136 -4.874 -3.154 1.00 0.36 H new ATOM 0 HB2 MET A 73 7.380 -5.470 -0.668 1.00 0.43 H new ATOM 0 HB3 MET A 73 7.368 -3.823 -1.267 1.00 0.43 H new ATOM 0 HG2 MET A 73 5.080 -3.691 -1.301 1.00 0.83 H new ATOM 0 HG3 MET A 73 4.871 -5.381 -1.716 1.00 0.83 H new ATOM 0 HE1 MET A 73 4.672 -7.346 1.281 1.00 2.56 H new ATOM 0 HE2 MET A 73 5.456 -7.222 -0.312 1.00 2.56 H new ATOM 0 HE3 MET A 73 6.408 -6.973 1.171 1.00 2.56 H new ATOM 1164 N GLU A 74 8.608 -7.278 -2.776 1.00 0.33 N ATOM 1165 CA GLU A 74 8.915 -8.700 -2.753 1.00 0.31 C ATOM 1166 C GLU A 74 9.045 -9.193 -1.319 1.00 0.31 C ATOM 1167 O GLU A 74 9.942 -8.770 -0.593 1.00 0.37 O ATOM 1168 CB GLU A 74 10.216 -8.968 -3.510 1.00 0.37 C ATOM 1169 CG GLU A 74 10.709 -10.401 -3.393 1.00 0.41 C ATOM 1170 CD GLU A 74 11.521 -10.839 -4.596 1.00 0.89 C ATOM 1171 OE1 GLU A 74 11.124 -10.505 -5.733 1.00 1.12 O ATOM 1172 OE2 GLU A 74 12.553 -11.514 -4.403 1.00 1.52 O ATOM 0 H GLU A 74 9.429 -6.672 -2.784 1.00 0.33 H new ATOM 0 HA GLU A 74 8.100 -9.237 -3.238 1.00 0.31 H new ATOM 0 HB2 GLU A 74 10.069 -8.729 -4.563 1.00 0.37 H new ATOM 0 HB3 GLU A 74 10.988 -8.296 -3.136 1.00 0.37 H new ATOM 0 HG2 GLU A 74 11.317 -10.500 -2.494 1.00 0.41 H new ATOM 0 HG3 GLU A 74 9.854 -11.067 -3.275 1.00 0.41 H new ATOM 1179 N SER A 75 8.151 -10.082 -0.911 1.00 0.29 N ATOM 1180 CA SER A 75 8.183 -10.616 0.444 1.00 0.33 C ATOM 1181 C SER A 75 8.072 -12.136 0.442 1.00 0.33 C ATOM 1182 O SER A 75 6.976 -12.689 0.362 1.00 0.38 O ATOM 1183 CB SER A 75 7.053 -10.015 1.280 1.00 0.41 C ATOM 1184 OG SER A 75 5.920 -9.731 0.479 1.00 1.32 O ATOM 0 H SER A 75 7.398 -10.447 -1.494 1.00 0.29 H new ATOM 0 HA SER A 75 9.141 -10.343 0.886 1.00 0.33 H new ATOM 0 HB2 SER A 75 6.776 -10.708 2.074 1.00 0.41 H new ATOM 0 HB3 SER A 75 7.400 -9.101 1.762 1.00 0.41 H new ATOM 0 HG SER A 75 5.161 -9.501 1.055 1.00 1.32 H new ATOM 1190 N VAL A 76 9.214 -12.805 0.545 1.00 0.37 N ATOM 1191 CA VAL A 76 9.244 -14.260 0.571 1.00 0.41 C ATOM 1192 C VAL A 76 9.011 -14.766 1.988 1.00 0.43 C ATOM 1193 O VAL A 76 8.327 -15.767 2.200 1.00 0.46 O ATOM 1194 CB VAL A 76 10.587 -14.812 0.053 1.00 0.48 C ATOM 1195 CG1 VAL A 76 10.827 -14.372 -1.382 1.00 1.54 C ATOM 1196 CG2 VAL A 76 11.728 -14.370 0.956 1.00 1.33 C ATOM 0 H VAL A 76 10.130 -12.362 0.612 1.00 0.37 H new ATOM 0 HA VAL A 76 8.449 -14.612 -0.086 1.00 0.41 H new ATOM 0 HB VAL A 76 10.544 -15.901 0.070 1.00 0.48 H new ATOM 0 HG11 VAL A 76 11.780 -14.771 -1.730 1.00 1.54 H new ATOM 0 HG12 VAL A 76 10.023 -14.746 -2.016 1.00 1.54 H new ATOM 0 HG13 VAL A 76 10.851 -13.283 -1.430 1.00 1.54 H new ATOM 0 HG21 VAL A 76 12.668 -14.769 0.576 1.00 1.33 H new ATOM 0 HG22 VAL A 76 11.776 -13.281 0.975 1.00 1.33 H new ATOM 0 HG23 VAL A 76 11.558 -14.743 1.966 1.00 1.33 H new ATOM 1206 N VAL A 77 9.582 -14.057 2.955 1.00 0.45 N ATOM 1207 CA VAL A 77 9.438 -14.423 4.361 1.00 0.49 C ATOM 1208 C VAL A 77 8.238 -13.720 4.996 1.00 0.45 C ATOM 1209 O VAL A 77 7.430 -14.354 5.673 1.00 0.47 O ATOM 1210 CB VAL A 77 10.707 -14.088 5.177 1.00 0.57 C ATOM 1211 CG1 VAL A 77 10.786 -14.957 6.421 1.00 0.80 C ATOM 1212 CG2 VAL A 77 11.960 -14.253 4.327 1.00 0.77 C ATOM 0 H VAL A 77 10.149 -13.225 2.792 1.00 0.45 H new ATOM 0 HA VAL A 77 9.281 -15.501 4.384 1.00 0.49 H new ATOM 0 HB VAL A 77 10.645 -13.045 5.488 1.00 0.57 H new ATOM 0 HG11 VAL A 77 11.686 -14.707 6.983 1.00 0.80 H new ATOM 0 HG12 VAL A 77 9.909 -14.781 7.044 1.00 0.80 H new ATOM 0 HG13 VAL A 77 10.820 -16.007 6.130 1.00 0.80 H new ATOM 0 HG21 VAL A 77 12.839 -14.011 4.924 1.00 0.77 H new ATOM 0 HG22 VAL A 77 12.030 -15.283 3.978 1.00 0.77 H new ATOM 0 HG23 VAL A 77 11.909 -13.582 3.469 1.00 0.77 H new ATOM 1222 N PRO A 78 8.097 -12.396 4.783 1.00 0.43 N ATOM 1223 CA PRO A 78 6.983 -11.622 5.340 1.00 0.41 C ATOM 1224 C PRO A 78 5.630 -12.093 4.814 1.00 0.35 C ATOM 1225 O PRO A 78 4.588 -11.795 5.398 1.00 0.34 O ATOM 1226 CB PRO A 78 7.263 -10.185 4.878 1.00 0.42 C ATOM 1227 CG PRO A 78 8.704 -10.172 4.498 1.00 0.48 C ATOM 1228 CD PRO A 78 9.002 -11.551 3.989 1.00 0.46 C ATOM 0 HA PRO A 78 6.924 -11.727 6.423 1.00 0.41 H new ATOM 0 HB2 PRO A 78 6.630 -9.912 4.033 1.00 0.42 H new ATOM 0 HB3 PRO A 78 7.059 -9.468 5.674 1.00 0.42 H new ATOM 0 HG2 PRO A 78 8.900 -9.421 3.733 1.00 0.48 H new ATOM 0 HG3 PRO A 78 9.332 -9.926 5.354 1.00 0.48 H new ATOM 0 HD2 PRO A 78 8.804 -11.639 2.921 1.00 0.46 H new ATOM 0 HD3 PRO A 78 10.047 -11.822 4.143 1.00 0.46 H new ATOM 1236 N SER A 79 5.648 -12.835 3.712 1.00 0.34 N ATOM 1237 CA SER A 79 4.415 -13.346 3.125 1.00 0.34 C ATOM 1238 C SER A 79 3.598 -14.097 4.168 1.00 0.38 C ATOM 1239 O SER A 79 2.382 -14.227 4.038 1.00 0.39 O ATOM 1240 CB SER A 79 4.723 -14.263 1.941 1.00 0.39 C ATOM 1241 OG SER A 79 3.745 -14.130 0.923 1.00 1.13 O ATOM 0 H SER A 79 6.497 -13.095 3.210 1.00 0.34 H new ATOM 0 HA SER A 79 3.832 -12.498 2.767 1.00 0.34 H new ATOM 0 HB2 SER A 79 5.707 -14.023 1.538 1.00 0.39 H new ATOM 0 HB3 SER A 79 4.761 -15.298 2.280 1.00 0.39 H new ATOM 0 HG SER A 79 3.966 -14.726 0.177 1.00 1.13 H new ATOM 1247 N ASP A 80 4.271 -14.585 5.203 1.00 0.43 N ATOM 1248 CA ASP A 80 3.593 -15.316 6.264 1.00 0.50 C ATOM 1249 C ASP A 80 2.453 -14.490 6.833 1.00 0.42 C ATOM 1250 O ASP A 80 1.382 -15.023 7.123 1.00 0.47 O ATOM 1251 CB ASP A 80 4.578 -15.698 7.371 1.00 0.62 C ATOM 1252 CG ASP A 80 5.651 -16.653 6.887 1.00 1.27 C ATOM 1253 OD1 ASP A 80 5.407 -17.365 5.889 1.00 2.02 O ATOM 1254 OD2 ASP A 80 6.735 -16.691 7.506 1.00 1.69 O ATOM 0 H ASP A 80 5.279 -14.488 5.329 1.00 0.43 H new ATOM 0 HA ASP A 80 3.181 -16.231 5.839 1.00 0.50 H new ATOM 0 HB2 ASP A 80 5.048 -14.796 7.762 1.00 0.62 H new ATOM 0 HB3 ASP A 80 4.033 -16.157 8.196 1.00 0.62 H new ATOM 1259 N LYS A 81 2.666 -13.186 6.975 1.00 0.38 N ATOM 1260 CA LYS A 81 1.610 -12.330 7.490 1.00 0.33 C ATOM 1261 C LYS A 81 0.826 -11.737 6.331 1.00 0.26 C ATOM 1262 O LYS A 81 1.321 -10.876 5.603 1.00 0.27 O ATOM 1263 CB LYS A 81 2.157 -11.197 8.382 1.00 0.40 C ATOM 1264 CG LYS A 81 3.661 -11.219 8.632 1.00 0.91 C ATOM 1265 CD LYS A 81 4.392 -10.258 7.705 1.00 1.02 C ATOM 1266 CE LYS A 81 4.972 -9.077 8.466 1.00 0.87 C ATOM 1267 NZ LYS A 81 5.971 -9.506 9.484 1.00 1.23 N ATOM 0 H LYS A 81 3.539 -12.710 6.746 1.00 0.38 H new ATOM 0 HA LYS A 81 0.959 -12.947 8.110 1.00 0.33 H new ATOM 0 HB2 LYS A 81 1.897 -10.242 7.925 1.00 0.40 H new ATOM 0 HB3 LYS A 81 1.647 -11.239 9.344 1.00 0.40 H new ATOM 0 HG2 LYS A 81 3.863 -10.951 9.669 1.00 0.91 H new ATOM 0 HG3 LYS A 81 4.041 -12.230 8.484 1.00 0.91 H new ATOM 0 HD2 LYS A 81 5.193 -10.788 7.189 1.00 1.02 H new ATOM 0 HD3 LYS A 81 3.705 -9.896 6.940 1.00 1.02 H new ATOM 0 HE2 LYS A 81 5.443 -8.389 7.764 1.00 0.87 H new ATOM 0 HE3 LYS A 81 4.166 -8.531 8.956 1.00 0.87 H new ATOM 0 HZ1 LYS A 81 5.756 -9.052 10.395 1.00 1.23 H new ATOM 0 HZ2 LYS A 81 5.932 -10.539 9.594 1.00 1.23 H new ATOM 0 HZ3 LYS A 81 6.924 -9.226 9.175 1.00 1.23 H new ATOM 1281 N GLY A 82 -0.391 -12.228 6.149 1.00 0.24 N ATOM 1282 CA GLY A 82 -1.217 -11.763 5.058 1.00 0.24 C ATOM 1283 C GLY A 82 -2.186 -10.677 5.477 1.00 0.28 C ATOM 1284 O GLY A 82 -3.395 -10.791 5.284 1.00 0.53 O ATOM 0 H GLY A 82 -0.820 -12.941 6.739 1.00 0.24 H new ATOM 0 HA2 GLY A 82 -0.578 -11.385 4.260 1.00 0.24 H new ATOM 0 HA3 GLY A 82 -1.776 -12.604 4.648 1.00 0.24 H new ATOM 1288 N ASN A 83 -1.635 -9.600 6.019 1.00 0.23 N ATOM 1289 CA ASN A 83 -2.428 -8.453 6.433 1.00 0.28 C ATOM 1290 C ASN A 83 -1.881 -7.199 5.761 1.00 0.30 C ATOM 1291 O ASN A 83 -0.776 -6.758 6.074 1.00 0.36 O ATOM 1292 CB ASN A 83 -2.399 -8.296 7.955 1.00 0.40 C ATOM 1293 CG ASN A 83 -3.790 -8.192 8.551 1.00 0.82 C ATOM 1294 OD1 ASN A 83 -4.285 -9.133 9.171 1.00 1.63 O ATOM 1295 ND2 ASN A 83 -4.429 -7.042 8.363 1.00 0.96 N ATOM 0 H ASN A 83 -0.633 -9.497 6.183 1.00 0.23 H new ATOM 0 HA ASN A 83 -3.464 -8.607 6.131 1.00 0.28 H new ATOM 0 HB2 ASN A 83 -1.880 -9.147 8.396 1.00 0.40 H new ATOM 0 HB3 ASN A 83 -1.827 -7.405 8.215 1.00 0.40 H new ATOM 0 HD21 ASN A 83 -5.368 -6.913 8.739 1.00 0.96 H new ATOM 0 HD22 ASN A 83 -3.980 -6.288 7.842 1.00 0.96 H new ATOM 1302 N TYR A 84 -2.641 -6.640 4.830 1.00 0.33 N ATOM 1303 CA TYR A 84 -2.199 -5.449 4.114 1.00 0.40 C ATOM 1304 C TYR A 84 -2.988 -4.219 4.540 1.00 0.35 C ATOM 1305 O TYR A 84 -4.218 -4.206 4.493 1.00 0.44 O ATOM 1306 CB TYR A 84 -2.329 -5.662 2.603 1.00 0.57 C ATOM 1307 CG TYR A 84 -1.020 -5.996 1.916 1.00 1.17 C ATOM 1308 CD1 TYR A 84 0.035 -6.554 2.629 1.00 1.96 C ATOM 1309 CD2 TYR A 84 -0.838 -5.753 0.559 1.00 1.74 C ATOM 1310 CE1 TYR A 84 1.233 -6.861 2.009 1.00 2.76 C ATOM 1311 CE2 TYR A 84 0.355 -6.060 -0.068 1.00 2.46 C ATOM 1312 CZ TYR A 84 1.383 -6.602 0.651 1.00 2.86 C ATOM 1313 OH TYR A 84 2.575 -6.921 0.039 1.00 3.72 O ATOM 0 H TYR A 84 -3.559 -6.987 4.553 1.00 0.33 H new ATOM 0 HA TYR A 84 -1.152 -5.278 4.363 1.00 0.40 H new ATOM 0 HB2 TYR A 84 -3.040 -6.467 2.419 1.00 0.57 H new ATOM 0 HB3 TYR A 84 -2.745 -4.760 2.153 1.00 0.57 H new ATOM 0 HD1 TYR A 84 -0.083 -6.751 3.684 1.00 1.96 H new ATOM 0 HD2 TYR A 84 -1.642 -5.317 -0.015 1.00 1.74 H new ATOM 0 HE1 TYR A 84 2.043 -7.297 2.574 1.00 2.76 H new ATOM 0 HE2 TYR A 84 0.475 -5.872 -1.125 1.00 2.46 H new ATOM 0 HH TYR A 84 2.896 -6.150 -0.473 1.00 3.72 H new ATOM 1323 N THR A 85 -2.265 -3.183 4.952 1.00 0.32 N ATOM 1324 CA THR A 85 -2.889 -1.943 5.383 1.00 0.33 C ATOM 1325 C THR A 85 -2.349 -0.754 4.595 1.00 0.29 C ATOM 1326 O THR A 85 -1.151 -0.469 4.624 1.00 0.31 O ATOM 1327 CB THR A 85 -2.662 -1.696 6.886 1.00 0.45 C ATOM 1328 OG1 THR A 85 -2.557 -2.945 7.579 1.00 1.14 O ATOM 1329 CG2 THR A 85 -3.798 -0.876 7.480 1.00 1.00 C ATOM 0 H THR A 85 -1.246 -3.180 4.996 1.00 0.32 H new ATOM 0 HA THR A 85 -3.958 -2.043 5.196 1.00 0.33 H new ATOM 0 HB THR A 85 -1.733 -1.137 7.001 1.00 0.45 H new ATOM 0 HG1 THR A 85 -1.664 -3.323 7.439 1.00 1.14 H new ATOM 0 HG21 THR A 85 -3.614 -0.715 8.542 1.00 1.00 H new ATOM 0 HG22 THR A 85 -3.856 0.087 6.972 1.00 1.00 H new ATOM 0 HG23 THR A 85 -4.739 -1.411 7.352 1.00 1.00 H new ATOM 1337 N CYS A 86 -3.241 -0.057 3.898 1.00 0.30 N ATOM 1338 CA CYS A 86 -2.854 1.108 3.108 1.00 0.30 C ATOM 1339 C CYS A 86 -3.229 2.391 3.837 1.00 0.30 C ATOM 1340 O CYS A 86 -4.404 2.741 3.928 1.00 0.31 O ATOM 1341 CB CYS A 86 -3.529 1.074 1.734 1.00 0.36 C ATOM 1342 SG CYS A 86 -2.943 2.364 0.587 1.00 0.65 S ATOM 0 H CYS A 86 -4.236 -0.278 3.864 1.00 0.30 H new ATOM 0 HA CYS A 86 -1.773 1.083 2.969 1.00 0.30 H new ATOM 0 HB2 CYS A 86 -3.360 0.097 1.282 1.00 0.36 H new ATOM 0 HB3 CYS A 86 -4.605 1.182 1.867 1.00 0.36 H new ATOM 1347 N VAL A 87 -2.225 3.090 4.353 1.00 0.29 N ATOM 1348 CA VAL A 87 -2.460 4.333 5.070 1.00 0.30 C ATOM 1349 C VAL A 87 -1.959 5.533 4.276 1.00 0.31 C ATOM 1350 O VAL A 87 -0.757 5.782 4.213 1.00 0.30 O ATOM 1351 CB VAL A 87 -1.772 4.322 6.447 1.00 0.33 C ATOM 1352 CG1 VAL A 87 -2.184 5.538 7.260 1.00 0.94 C ATOM 1353 CG2 VAL A 87 -2.097 3.037 7.194 1.00 0.97 C ATOM 0 H VAL A 87 -1.244 2.817 4.288 1.00 0.29 H new ATOM 0 HA VAL A 87 -3.538 4.419 5.208 1.00 0.30 H new ATOM 0 HB VAL A 87 -0.694 4.365 6.295 1.00 0.33 H new ATOM 0 HG11 VAL A 87 -1.687 5.512 8.230 1.00 0.94 H new ATOM 0 HG12 VAL A 87 -1.896 6.445 6.729 1.00 0.94 H new ATOM 0 HG13 VAL A 87 -3.264 5.530 7.405 1.00 0.94 H new ATOM 0 HG21 VAL A 87 -1.603 3.046 8.165 1.00 0.97 H new ATOM 0 HG22 VAL A 87 -3.175 2.962 7.336 1.00 0.97 H new ATOM 0 HG23 VAL A 87 -1.747 2.182 6.616 1.00 0.97 H new ATOM 1363 N VAL A 88 -2.880 6.282 3.680 1.00 0.32 N ATOM 1364 CA VAL A 88 -2.509 7.458 2.907 1.00 0.33 C ATOM 1365 C VAL A 88 -2.788 8.729 3.699 1.00 0.30 C ATOM 1366 O VAL A 88 -3.941 9.044 3.996 1.00 0.30 O ATOM 1367 CB VAL A 88 -3.273 7.518 1.571 1.00 0.36 C ATOM 1368 CG1 VAL A 88 -2.927 6.318 0.703 1.00 1.45 C ATOM 1369 CG2 VAL A 88 -4.771 7.591 1.818 1.00 1.50 C ATOM 0 H VAL A 88 -3.882 6.096 3.717 1.00 0.32 H new ATOM 0 HA VAL A 88 -1.442 7.383 2.697 1.00 0.33 H new ATOM 0 HB VAL A 88 -2.970 8.420 1.040 1.00 0.36 H new ATOM 0 HG11 VAL A 88 -3.476 6.378 -0.236 1.00 1.45 H new ATOM 0 HG12 VAL A 88 -1.857 6.314 0.498 1.00 1.45 H new ATOM 0 HG13 VAL A 88 -3.200 5.401 1.225 1.00 1.45 H new ATOM 0 HG21 VAL A 88 -5.296 7.633 0.863 1.00 1.50 H new ATOM 0 HG22 VAL A 88 -5.092 6.708 2.370 1.00 1.50 H new ATOM 0 HG23 VAL A 88 -5.001 8.485 2.398 1.00 1.50 H new ATOM 1379 N GLU A 89 -1.727 9.439 4.063 1.00 0.32 N ATOM 1380 CA GLU A 89 -1.863 10.658 4.849 1.00 0.32 C ATOM 1381 C GLU A 89 -1.526 11.903 4.036 1.00 0.31 C ATOM 1382 O GLU A 89 -0.815 11.838 3.034 1.00 0.32 O ATOM 1383 CB GLU A 89 -0.962 10.586 6.084 1.00 0.37 C ATOM 1384 CG GLU A 89 -1.208 11.698 7.091 1.00 0.43 C ATOM 1385 CD GLU A 89 -0.328 12.908 6.854 1.00 0.83 C ATOM 1386 OE1 GLU A 89 0.206 13.044 5.732 1.00 1.33 O ATOM 1387 OE2 GLU A 89 -0.174 13.723 7.789 1.00 1.46 O ATOM 0 H GLU A 89 -0.766 9.192 3.827 1.00 0.32 H new ATOM 0 HA GLU A 89 -2.906 10.736 5.156 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -1.112 9.625 6.575 1.00 0.37 H new ATOM 0 HB3 GLU A 89 0.080 10.622 5.765 1.00 0.37 H new ATOM 0 HG2 GLU A 89 -2.254 12.000 7.044 1.00 0.43 H new ATOM 0 HG3 GLU A 89 -1.031 11.317 8.097 1.00 0.43 H new ATOM 1394 N ASN A 90 -2.024 13.043 4.499 1.00 0.33 N ATOM 1395 CA ASN A 90 -1.764 14.321 3.853 1.00 0.36 C ATOM 1396 C ASN A 90 -1.583 15.400 4.914 1.00 0.43 C ATOM 1397 O ASN A 90 -1.670 15.123 6.109 1.00 0.39 O ATOM 1398 CB ASN A 90 -2.896 14.693 2.894 1.00 0.37 C ATOM 1399 CG ASN A 90 -4.198 14.992 3.612 1.00 0.52 C ATOM 1400 OD1 ASN A 90 -4.591 16.150 3.752 1.00 1.54 O ATOM 1401 ND2 ASN A 90 -4.877 13.948 4.068 1.00 0.86 N ATOM 0 H ASN A 90 -2.616 13.107 5.327 1.00 0.33 H new ATOM 0 HA ASN A 90 -0.849 14.237 3.266 1.00 0.36 H new ATOM 0 HB2 ASN A 90 -2.600 15.564 2.310 1.00 0.37 H new ATOM 0 HB3 ASN A 90 -3.054 13.876 2.190 1.00 0.37 H new ATOM 0 HD21 ASN A 90 -5.761 14.089 4.556 1.00 0.86 H new ATOM 0 HD22 ASN A 90 -4.515 13.004 3.930 1.00 0.86 H new ATOM 1408 N GLU A 91 -1.341 16.628 4.481 1.00 0.57 N ATOM 1409 CA GLU A 91 -1.160 17.732 5.414 1.00 0.66 C ATOM 1410 C GLU A 91 -2.481 18.097 6.099 1.00 0.68 C ATOM 1411 O GLU A 91 -2.490 18.808 7.103 1.00 0.75 O ATOM 1412 CB GLU A 91 -0.588 18.957 4.693 1.00 0.76 C ATOM 1413 CG GLU A 91 -0.282 20.121 5.621 1.00 1.15 C ATOM 1414 CD GLU A 91 -1.249 21.276 5.445 1.00 1.72 C ATOM 1415 OE1 GLU A 91 -2.466 21.063 5.631 1.00 2.34 O ATOM 1416 OE2 GLU A 91 -0.791 22.391 5.121 1.00 2.24 O ATOM 0 H GLU A 91 -1.266 16.885 3.497 1.00 0.57 H new ATOM 0 HA GLU A 91 -0.454 17.410 6.179 1.00 0.66 H new ATOM 0 HB2 GLU A 91 0.325 18.668 4.173 1.00 0.76 H new ATOM 0 HB3 GLU A 91 -1.298 19.285 3.934 1.00 0.76 H new ATOM 0 HG2 GLU A 91 -0.318 19.776 6.654 1.00 1.15 H new ATOM 0 HG3 GLU A 91 0.734 20.471 5.437 1.00 1.15 H new ATOM 1423 N TYR A 92 -3.598 17.625 5.542 1.00 0.64 N ATOM 1424 CA TYR A 92 -4.913 17.929 6.100 1.00 0.68 C ATOM 1425 C TYR A 92 -5.534 16.736 6.836 1.00 0.60 C ATOM 1426 O TYR A 92 -6.672 16.818 7.295 1.00 0.63 O ATOM 1427 CB TYR A 92 -5.859 18.398 4.992 1.00 0.75 C ATOM 1428 CG TYR A 92 -6.729 19.572 5.391 1.00 1.12 C ATOM 1429 CD1 TYR A 92 -6.196 20.652 6.083 1.00 1.64 C ATOM 1430 CD2 TYR A 92 -8.082 19.599 5.076 1.00 1.54 C ATOM 1431 CE1 TYR A 92 -6.986 21.726 6.448 1.00 2.10 C ATOM 1432 CE2 TYR A 92 -8.878 20.668 5.437 1.00 2.05 C ATOM 1433 CZ TYR A 92 -8.325 21.730 6.123 1.00 2.19 C ATOM 1434 OH TYR A 92 -9.117 22.795 6.484 1.00 2.77 O ATOM 0 H TYR A 92 -3.617 17.035 4.710 1.00 0.64 H new ATOM 0 HA TYR A 92 -4.769 18.724 6.832 1.00 0.68 H new ATOM 0 HB2 TYR A 92 -5.271 18.674 4.117 1.00 0.75 H new ATOM 0 HB3 TYR A 92 -6.499 17.567 4.697 1.00 0.75 H new ATOM 0 HD1 TYR A 92 -5.147 20.653 6.340 1.00 1.64 H new ATOM 0 HD2 TYR A 92 -8.519 18.770 4.540 1.00 1.54 H new ATOM 0 HE1 TYR A 92 -6.556 22.558 6.985 1.00 2.10 H new ATOM 0 HE2 TYR A 92 -9.928 20.673 5.184 1.00 2.05 H new ATOM 0 HH TYR A 92 -10.035 22.639 6.177 1.00 2.77 H new ATOM 1444 N GLY A 93 -4.799 15.631 6.953 1.00 0.52 N ATOM 1445 CA GLY A 93 -5.343 14.469 7.644 1.00 0.47 C ATOM 1446 C GLY A 93 -4.706 13.158 7.224 1.00 0.40 C ATOM 1447 O GLY A 93 -3.949 13.107 6.255 1.00 0.40 O ATOM 0 H GLY A 93 -3.853 15.518 6.589 1.00 0.52 H new ATOM 0 HA2 GLY A 93 -5.210 14.600 8.718 1.00 0.47 H new ATOM 0 HA3 GLY A 93 -6.416 14.417 7.460 1.00 0.47 H new ATOM 1451 N SER A 94 -5.022 12.094 7.962 1.00 0.38 N ATOM 1452 CA SER A 94 -4.486 10.766 7.676 1.00 0.34 C ATOM 1453 C SER A 94 -5.604 9.730 7.602 1.00 0.34 C ATOM 1454 O SER A 94 -6.541 9.756 8.399 1.00 0.38 O ATOM 1455 CB SER A 94 -3.467 10.361 8.744 1.00 0.35 C ATOM 1456 OG SER A 94 -4.114 9.889 9.912 1.00 1.04 O ATOM 0 H SER A 94 -5.649 12.128 8.766 1.00 0.38 H new ATOM 0 HA SER A 94 -3.988 10.805 6.707 1.00 0.34 H new ATOM 0 HB2 SER A 94 -2.811 9.585 8.349 1.00 0.35 H new ATOM 0 HB3 SER A 94 -2.837 11.215 8.993 1.00 0.35 H new ATOM 0 HG SER A 94 -3.442 9.635 10.578 1.00 1.04 H new ATOM 1462 N ILE A 95 -5.505 8.822 6.632 1.00 0.32 N ATOM 1463 CA ILE A 95 -6.514 7.784 6.447 1.00 0.34 C ATOM 1464 C ILE A 95 -5.881 6.393 6.445 1.00 0.31 C ATOM 1465 O ILE A 95 -4.698 6.241 6.138 1.00 0.29 O ATOM 1466 CB ILE A 95 -7.305 7.987 5.136 1.00 0.38 C ATOM 1467 CG1 ILE A 95 -7.463 9.485 4.829 1.00 0.41 C ATOM 1468 CG2 ILE A 95 -8.663 7.309 5.234 1.00 0.44 C ATOM 1469 CD1 ILE A 95 -8.461 9.783 3.729 1.00 0.47 C ATOM 0 H ILE A 95 -4.736 8.785 5.963 1.00 0.32 H new ATOM 0 HA ILE A 95 -7.204 7.862 7.287 1.00 0.34 H new ATOM 0 HB ILE A 95 -6.750 7.531 4.317 1.00 0.38 H new ATOM 0 HG12 ILE A 95 -7.773 10.002 5.737 1.00 0.41 H new ATOM 0 HG13 ILE A 95 -6.492 9.892 4.546 1.00 0.41 H new ATOM 0 HG21 ILE A 95 -9.212 7.458 4.304 1.00 0.44 H new ATOM 0 HG22 ILE A 95 -8.525 6.242 5.406 1.00 0.44 H new ATOM 0 HG23 ILE A 95 -9.226 7.740 6.061 1.00 0.44 H new ATOM 0 HD11 ILE A 95 -8.517 10.860 3.570 1.00 0.47 H new ATOM 0 HD12 ILE A 95 -8.142 9.296 2.807 1.00 0.47 H new ATOM 0 HD13 ILE A 95 -9.443 9.407 4.017 1.00 0.47 H new ATOM 1481 N ASN A 96 -6.672 5.380 6.797 1.00 0.34 N ATOM 1482 CA ASN A 96 -6.178 4.004 6.841 1.00 0.34 C ATOM 1483 C ASN A 96 -7.109 3.046 6.099 1.00 0.34 C ATOM 1484 O ASN A 96 -8.332 3.190 6.140 1.00 0.38 O ATOM 1485 CB ASN A 96 -6.012 3.548 8.292 1.00 0.38 C ATOM 1486 CG ASN A 96 -7.329 3.507 9.040 1.00 1.12 C ATOM 1487 OD1 ASN A 96 -7.877 2.435 9.298 1.00 2.04 O ATOM 1488 ND2 ASN A 96 -7.846 4.679 9.392 1.00 1.12 N ATOM 0 H ASN A 96 -7.653 5.485 7.055 1.00 0.34 H new ATOM 0 HA ASN A 96 -5.210 3.986 6.341 1.00 0.34 H new ATOM 0 HB2 ASN A 96 -5.557 2.558 8.309 1.00 0.38 H new ATOM 0 HB3 ASN A 96 -5.327 4.222 8.806 1.00 0.38 H new ATOM 0 HD21 ASN A 96 -8.732 4.715 9.897 1.00 1.12 H new ATOM 0 HD22 ASN A 96 -7.357 5.543 9.157 1.00 1.12 H new ATOM 1495 N HIS A 97 -6.516 2.053 5.440 1.00 0.32 N ATOM 1496 CA HIS A 97 -7.274 1.043 4.703 1.00 0.34 C ATOM 1497 C HIS A 97 -6.710 -0.350 4.970 1.00 0.33 C ATOM 1498 O HIS A 97 -5.498 -0.545 4.929 1.00 0.33 O ATOM 1499 CB HIS A 97 -7.245 1.341 3.202 1.00 0.36 C ATOM 1500 CG HIS A 97 -7.491 2.779 2.876 1.00 0.43 C ATOM 1501 ND1 HIS A 97 -8.661 3.433 3.199 1.00 1.25 N ATOM 1502 CD2 HIS A 97 -6.708 3.693 2.254 1.00 1.06 C ATOM 1503 CE1 HIS A 97 -8.589 4.687 2.790 1.00 1.06 C ATOM 1504 NE2 HIS A 97 -7.415 4.871 2.215 1.00 0.85 N ATOM 0 H HIS A 97 -5.505 1.926 5.401 1.00 0.32 H new ATOM 0 HA HIS A 97 -8.308 1.074 5.047 1.00 0.34 H new ATOM 0 HB2 HIS A 97 -6.276 1.046 2.799 1.00 0.36 H new ATOM 0 HB3 HIS A 97 -7.997 0.730 2.703 1.00 0.36 H new ATOM 0 HD2 HIS A 97 -5.715 3.527 1.863 1.00 1.06 H new ATOM 0 HE1 HIS A 97 -9.360 5.435 2.906 1.00 1.06 H new ATOM 0 HE2 HIS A 97 -7.086 5.746 1.808 1.00 0.85 H new ATOM 1513 N THR A 98 -7.582 -1.314 5.255 1.00 0.35 N ATOM 1514 CA THR A 98 -7.141 -2.679 5.535 1.00 0.35 C ATOM 1515 C THR A 98 -7.654 -3.672 4.494 1.00 0.35 C ATOM 1516 O THR A 98 -8.794 -3.574 4.036 1.00 0.36 O ATOM 1517 CB THR A 98 -7.602 -3.138 6.931 1.00 0.38 C ATOM 1518 OG1 THR A 98 -7.732 -2.006 7.802 1.00 1.33 O ATOM 1519 CG2 THR A 98 -6.617 -4.131 7.527 1.00 1.36 C ATOM 0 H THR A 98 -8.592 -1.177 5.298 1.00 0.35 H new ATOM 0 HA THR A 98 -6.052 -2.662 5.496 1.00 0.35 H new ATOM 0 HB THR A 98 -8.570 -3.629 6.826 1.00 0.38 H new ATOM 0 HG1 THR A 98 -8.027 -2.306 8.687 1.00 1.33 H new ATOM 0 HG21 THR A 98 -6.964 -4.441 8.513 1.00 1.36 H new ATOM 0 HG22 THR A 98 -6.542 -5.004 6.878 1.00 1.36 H new ATOM 0 HG23 THR A 98 -5.637 -3.662 7.618 1.00 1.36 H new ATOM 1527 N TYR A 99 -6.807 -4.641 4.136 1.00 0.39 N ATOM 1528 CA TYR A 99 -7.175 -5.667 3.161 1.00 0.42 C ATOM 1529 C TYR A 99 -6.833 -7.060 3.692 1.00 0.42 C ATOM 1530 O TYR A 99 -5.746 -7.289 4.221 1.00 0.45 O ATOM 1531 CB TYR A 99 -6.479 -5.411 1.824 1.00 0.53 C ATOM 1532 CG TYR A 99 -6.416 -3.945 1.457 1.00 0.57 C ATOM 1533 CD1 TYR A 99 -7.541 -3.137 1.539 1.00 0.73 C ATOM 1534 CD2 TYR A 99 -5.227 -3.372 1.026 1.00 0.85 C ATOM 1535 CE1 TYR A 99 -7.485 -1.798 1.201 1.00 0.81 C ATOM 1536 CE2 TYR A 99 -5.162 -2.034 0.687 1.00 0.96 C ATOM 1537 CZ TYR A 99 -6.307 -1.248 0.791 1.00 0.81 C ATOM 1538 OH TYR A 99 -6.232 0.081 0.438 1.00 0.96 O ATOM 0 H TYR A 99 -5.862 -4.735 4.508 1.00 0.39 H new ATOM 0 HA TYR A 99 -8.252 -5.619 3.000 1.00 0.42 H new ATOM 0 HB2 TYR A 99 -5.466 -5.812 1.866 1.00 0.53 H new ATOM 0 HB3 TYR A 99 -7.005 -5.954 1.038 1.00 0.53 H new ATOM 0 HD1 TYR A 99 -8.476 -3.562 1.873 1.00 0.73 H new ATOM 0 HD2 TYR A 99 -4.339 -3.982 0.955 1.00 0.85 H new ATOM 0 HE1 TYR A 99 -8.374 -1.188 1.262 1.00 0.81 H new ATOM 0 HE2 TYR A 99 -4.233 -1.602 0.345 1.00 0.96 H new ATOM 0 HH TYR A 99 -7.009 0.559 0.797 1.00 0.96 H new ATOM 1548 N HIS A 100 -7.797 -7.969 3.585 1.00 0.41 N ATOM 1549 CA HIS A 100 -7.630 -9.330 4.098 1.00 0.44 C ATOM 1550 C HIS A 100 -6.878 -10.259 3.137 1.00 0.42 C ATOM 1551 O HIS A 100 -7.437 -10.754 2.170 1.00 0.45 O ATOM 1552 CB HIS A 100 -8.991 -9.935 4.440 1.00 0.53 C ATOM 1553 CG HIS A 100 -9.721 -9.199 5.520 1.00 0.82 C ATOM 1554 ND1 HIS A 100 -10.368 -7.999 5.308 1.00 1.39 N ATOM 1555 CD2 HIS A 100 -9.905 -9.497 6.828 1.00 1.62 C ATOM 1556 CE1 HIS A 100 -10.918 -7.592 6.439 1.00 1.53 C ATOM 1557 NE2 HIS A 100 -10.652 -8.483 7.376 1.00 1.70 N ATOM 0 H HIS A 100 -8.702 -7.791 3.149 1.00 0.41 H new ATOM 0 HA HIS A 100 -7.017 -9.244 4.995 1.00 0.44 H new ATOM 0 HB2 HIS A 100 -9.608 -9.951 3.542 1.00 0.53 H new ATOM 0 HB3 HIS A 100 -8.851 -10.971 4.749 1.00 0.53 H new ATOM 0 HD2 HIS A 100 -9.533 -10.370 7.344 1.00 1.62 H new ATOM 0 HE1 HIS A 100 -11.488 -6.685 6.574 1.00 1.53 H new ATOM 0 HE2 HIS A 100 -10.952 -8.427 8.349 1.00 1.70 H new ATOM 1566 N LEU A 101 -5.616 -10.539 3.422 1.00 0.44 N ATOM 1567 CA LEU A 101 -4.851 -11.441 2.567 1.00 0.45 C ATOM 1568 C LEU A 101 -4.597 -12.776 3.263 1.00 0.48 C ATOM 1569 O LEU A 101 -4.374 -12.829 4.470 1.00 0.53 O ATOM 1570 CB LEU A 101 -3.526 -10.807 2.141 1.00 0.51 C ATOM 1571 CG LEU A 101 -3.483 -9.277 2.187 1.00 1.07 C ATOM 1572 CD1 LEU A 101 -2.189 -8.761 1.581 1.00 1.90 C ATOM 1573 CD2 LEU A 101 -4.685 -8.690 1.460 1.00 1.63 C ATOM 0 H LEU A 101 -5.105 -10.165 4.222 1.00 0.44 H new ATOM 0 HA LEU A 101 -5.447 -11.626 1.673 1.00 0.45 H new ATOM 0 HB2 LEU A 101 -2.735 -11.195 2.783 1.00 0.51 H new ATOM 0 HB3 LEU A 101 -3.299 -11.129 1.125 1.00 0.51 H new ATOM 0 HG LEU A 101 -3.522 -8.962 3.230 1.00 1.07 H new ATOM 0 HD11 LEU A 101 -2.177 -7.672 1.623 1.00 1.90 H new ATOM 0 HD12 LEU A 101 -1.342 -9.155 2.142 1.00 1.90 H new ATOM 0 HD13 LEU A 101 -2.119 -9.085 0.543 1.00 1.90 H new ATOM 0 HD21 LEU A 101 -4.640 -7.602 1.502 1.00 1.63 H new ATOM 0 HD22 LEU A 101 -4.675 -9.014 0.419 1.00 1.63 H new ATOM 0 HD23 LEU A 101 -5.603 -9.033 1.938 1.00 1.63 H new ATOM 1585 N ASP A 102 -4.641 -13.855 2.488 1.00 0.50 N ATOM 1586 CA ASP A 102 -4.423 -15.191 3.027 1.00 0.57 C ATOM 1587 C ASP A 102 -3.073 -15.744 2.584 1.00 0.54 C ATOM 1588 O ASP A 102 -2.748 -15.741 1.397 1.00 0.53 O ATOM 1589 CB ASP A 102 -5.542 -16.132 2.582 1.00 0.65 C ATOM 1590 CG ASP A 102 -6.916 -15.617 2.965 1.00 1.31 C ATOM 1591 OD1 ASP A 102 -7.106 -15.258 4.147 1.00 1.38 O ATOM 1592 OD2 ASP A 102 -7.800 -15.571 2.085 1.00 2.34 O ATOM 0 H ASP A 102 -4.826 -13.829 1.485 1.00 0.50 H new ATOM 0 HA ASP A 102 -4.427 -15.121 4.115 1.00 0.57 H new ATOM 0 HB2 ASP A 102 -5.494 -16.263 1.501 1.00 0.65 H new ATOM 0 HB3 ASP A 102 -5.387 -17.114 3.029 1.00 0.65 H new ATOM 1597 N VAL A 103 -2.289 -16.218 3.547 1.00 0.63 N ATOM 1598 CA VAL A 103 -0.974 -16.776 3.254 1.00 0.68 C ATOM 1599 C VAL A 103 -1.083 -18.227 2.804 1.00 0.66 C ATOM 1600 O VAL A 103 -1.592 -19.079 3.535 1.00 0.75 O ATOM 1601 CB VAL A 103 -0.033 -16.691 4.474 1.00 0.89 C ATOM 1602 CG1 VAL A 103 -0.619 -17.431 5.668 1.00 1.56 C ATOM 1603 CG2 VAL A 103 1.342 -17.237 4.124 1.00 1.60 C ATOM 0 H VAL A 103 -2.541 -16.227 4.535 1.00 0.63 H new ATOM 0 HA VAL A 103 -0.552 -16.178 2.446 1.00 0.68 H new ATOM 0 HB VAL A 103 0.072 -15.642 4.749 1.00 0.89 H new ATOM 0 HG11 VAL A 103 0.064 -17.355 6.514 1.00 1.56 H new ATOM 0 HG12 VAL A 103 -1.578 -16.988 5.936 1.00 1.56 H new ATOM 0 HG13 VAL A 103 -0.763 -18.480 5.411 1.00 1.56 H new ATOM 0 HG21 VAL A 103 1.993 -17.169 4.996 1.00 1.60 H new ATOM 0 HG22 VAL A 103 1.252 -18.279 3.818 1.00 1.60 H new ATOM 0 HG23 VAL A 103 1.768 -16.654 3.307 1.00 1.60 H new ATOM 1613 N VAL A 104 -0.608 -18.503 1.595 1.00 0.66 N ATOM 1614 CA VAL A 104 -0.656 -19.851 1.044 1.00 0.73 C ATOM 1615 C VAL A 104 0.691 -20.253 0.450 1.00 0.83 C ATOM 1616 O VAL A 104 1.271 -19.520 -0.350 1.00 0.84 O ATOM 1617 CB VAL A 104 -1.740 -19.977 -0.042 1.00 0.86 C ATOM 1618 CG1 VAL A 104 -1.901 -21.427 -0.474 1.00 1.44 C ATOM 1619 CG2 VAL A 104 -3.063 -19.413 0.457 1.00 1.27 C ATOM 0 H VAL A 104 -0.185 -17.810 0.977 1.00 0.66 H new ATOM 0 HA VAL A 104 -0.900 -20.519 1.870 1.00 0.73 H new ATOM 0 HB VAL A 104 -1.426 -19.397 -0.910 1.00 0.86 H new ATOM 0 HG11 VAL A 104 -2.672 -21.494 -1.242 1.00 1.44 H new ATOM 0 HG12 VAL A 104 -0.956 -21.794 -0.875 1.00 1.44 H new ATOM 0 HG13 VAL A 104 -2.191 -22.033 0.385 1.00 1.44 H new ATOM 0 HG21 VAL A 104 -3.818 -19.510 -0.324 1.00 1.27 H new ATOM 0 HG22 VAL A 104 -3.383 -19.964 1.342 1.00 1.27 H new ATOM 0 HG23 VAL A 104 -2.937 -18.360 0.711 1.00 1.27 H new