USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 285 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 13 THR OG1 : rot 136:sc= 1.12 USER MOD Set 1.2: A 15 HIS : no HE2:sc= 0.328 K(o=1.5,f=-3.7) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 120:sc= -1.23 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.572 USER MOD Single : A 23 TYR OH : rot -117:sc= 0.302 USER MOD Single : A 24 TYR OH : rot 0:sc= -0.954 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.22 K(o=-1.2,f=-12!) USER MOD Single : A 27 THR OG1 : rot -73:sc= 0.191 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00186) USER MOD Single : A 31 GLN : amide:sc= -0.789 X(o=-0.79,f=-0.53) USER MOD Single : A 32 SER OG : rot -73:sc= 0.629 USER MOD Single : A 33 THR OG1 : rot 170:sc= -0.214 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 THR OG1 : rot 180:sc= 0.0127 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 10 4.967 0.465 -0.423 1.00 74.31 N ATOM 2 CA GLY A 10 5.418 -0.813 0.096 1.00 75.31 C ATOM 3 C GLY A 10 6.925 -0.961 0.043 1.00 61.33 C ATOM 4 O GLY A 10 7.638 -0.427 0.892 1.00 64.30 O ATOM 0 HA2 GLY A 10 5.081 -0.922 1.127 1.00 75.31 H new ATOM 0 HA3 GLY A 10 4.957 -1.617 -0.477 1.00 75.31 H new ATOM 8 N SER A 11 7.412 -1.690 -0.957 1.00 12.12 N ATOM 9 CA SER A 11 8.844 -1.912 -1.114 1.00 45.52 C ATOM 10 C SER A 11 9.208 -2.091 -2.585 1.00 70.40 C ATOM 11 O SER A 11 10.273 -2.615 -2.913 1.00 11.32 O ATOM 12 CB SER A 11 9.283 -3.140 -0.315 1.00 32.21 C ATOM 13 OG SER A 11 10.118 -2.772 0.769 1.00 31.01 O ATOM 0 H SER A 11 6.835 -2.137 -1.670 1.00 12.12 H new ATOM 0 HA SER A 11 9.366 -1.035 -0.732 1.00 45.52 H new ATOM 0 HB2 SER A 11 8.405 -3.666 0.060 1.00 32.21 H new ATOM 0 HB3 SER A 11 9.814 -3.832 -0.969 1.00 32.21 H new ATOM 0 HG SER A 11 10.383 -3.575 1.265 1.00 31.01 H new ATOM 19 N TRP A 12 8.316 -1.654 -3.466 1.00 35.12 N ATOM 20 CA TRP A 12 8.541 -1.766 -4.902 1.00 63.54 C ATOM 21 C TRP A 12 9.381 -0.602 -5.414 1.00 44.42 C ATOM 22 O TRP A 12 9.620 0.369 -4.694 1.00 63.24 O ATOM 23 CB TRP A 12 7.206 -1.814 -5.647 1.00 62.41 C ATOM 24 CG TRP A 12 6.361 -2.995 -5.276 1.00 21.30 C ATOM 25 CD1 TRP A 12 5.758 -3.226 -4.072 1.00 42.35 C ATOM 26 CD2 TRP A 12 6.027 -4.107 -6.114 1.00 24.44 C ATOM 27 NE1 TRP A 12 5.070 -4.414 -4.111 1.00 73.25 N ATOM 28 CE2 TRP A 12 5.218 -4.974 -5.353 1.00 3.02 C ATOM 29 CE3 TRP A 12 6.331 -4.455 -7.433 1.00 3.53 C ATOM 30 CZ2 TRP A 12 4.713 -6.164 -5.869 1.00 35.13 C ATOM 31 CZ3 TRP A 12 5.829 -5.636 -7.943 1.00 72.31 C ATOM 32 CH2 TRP A 12 5.026 -6.479 -7.163 1.00 21.21 C ATOM 0 H TRP A 12 7.430 -1.219 -3.211 1.00 35.12 H new ATOM 0 HA TRP A 12 9.086 -2.692 -5.087 1.00 63.54 H new ATOM 0 HB2 TRP A 12 6.650 -0.899 -5.441 1.00 62.41 H new ATOM 0 HB3 TRP A 12 7.397 -1.836 -6.720 1.00 62.41 H new ATOM 0 HD1 TRP A 12 5.814 -2.571 -3.215 1.00 42.35 H new ATOM 0 HE1 TRP A 12 4.535 -4.815 -3.340 1.00 73.25 H new ATOM 0 HE3 TRP A 12 6.948 -3.811 -8.043 1.00 3.53 H new ATOM 0 HZ2 TRP A 12 4.096 -6.816 -5.269 1.00 35.13 H new ATOM 0 HZ3 TRP A 12 6.059 -5.915 -8.961 1.00 72.31 H new ATOM 0 HH2 TRP A 12 4.647 -7.395 -7.592 1.00 21.21 H new ATOM 43 N THR A 13 9.828 -0.703 -6.662 1.00 41.33 N ATOM 44 CA THR A 13 10.642 0.342 -7.270 1.00 4.23 C ATOM 45 C THR A 13 10.189 0.634 -8.696 1.00 20.44 C ATOM 46 O THR A 13 10.222 -0.244 -9.558 1.00 1.50 O ATOM 47 CB THR A 13 12.133 -0.046 -7.286 1.00 41.52 C ATOM 48 OG1 THR A 13 12.301 -1.319 -7.918 1.00 70.42 O ATOM 49 CG2 THR A 13 12.695 -0.097 -5.873 1.00 54.13 C ATOM 0 H THR A 13 9.640 -1.499 -7.272 1.00 41.33 H new ATOM 0 HA THR A 13 10.513 1.237 -6.661 1.00 4.23 H new ATOM 0 HB THR A 13 12.677 0.713 -7.848 1.00 41.52 H new ATOM 0 HG1 THR A 13 13.060 -1.279 -8.537 1.00 70.42 H new ATOM 0 HG21 THR A 13 13.749 -0.373 -5.910 1.00 54.13 H new ATOM 0 HG22 THR A 13 12.593 0.882 -5.405 1.00 54.13 H new ATOM 0 HG23 THR A 13 12.147 -0.837 -5.290 1.00 54.13 H new ATOM 57 N GLU A 14 9.767 1.871 -8.936 1.00 74.13 N ATOM 58 CA GLU A 14 9.306 2.276 -10.259 1.00 45.42 C ATOM 59 C GLU A 14 10.479 2.404 -11.228 1.00 31.23 C ATOM 60 O GLU A 14 11.321 3.291 -11.087 1.00 42.11 O ATOM 61 CB GLU A 14 8.553 3.605 -10.176 1.00 54.32 C ATOM 62 CG GLU A 14 8.017 4.086 -11.514 1.00 73.23 C ATOM 63 CD GLU A 14 7.395 5.466 -11.432 1.00 51.31 C ATOM 64 OE1 GLU A 14 6.991 5.870 -10.322 1.00 13.40 O ATOM 65 OE2 GLU A 14 7.313 6.143 -12.479 1.00 30.31 O ATOM 0 H GLU A 14 9.735 2.609 -8.233 1.00 74.13 H new ATOM 0 HA GLU A 14 8.630 1.506 -10.632 1.00 45.42 H new ATOM 0 HB2 GLU A 14 7.722 3.499 -9.478 1.00 54.32 H new ATOM 0 HB3 GLU A 14 9.218 4.365 -9.766 1.00 54.32 H new ATOM 0 HG2 GLU A 14 8.828 4.100 -12.242 1.00 73.23 H new ATOM 0 HG3 GLU A 14 7.273 3.378 -11.879 1.00 73.23 H new ATOM 72 N HIS A 15 10.527 1.510 -12.211 1.00 13.33 N ATOM 73 CA HIS A 15 11.595 1.522 -13.203 1.00 65.02 C ATOM 74 C HIS A 15 11.057 1.910 -14.577 1.00 10.21 C ATOM 75 O HIS A 15 9.857 2.127 -14.747 1.00 31.32 O ATOM 76 CB HIS A 15 12.268 0.151 -13.275 1.00 64.01 C ATOM 77 CG HIS A 15 13.096 -0.174 -12.070 1.00 2.10 C ATOM 78 ND1 HIS A 15 14.400 0.247 -11.917 1.00 64.10 N ATOM 79 CD2 HIS A 15 12.798 -0.882 -10.956 1.00 32.13 C ATOM 80 CE1 HIS A 15 14.869 -0.190 -10.762 1.00 10.23 C ATOM 81 NE2 HIS A 15 13.916 -0.877 -10.159 1.00 30.44 N ATOM 0 H HIS A 15 9.839 0.769 -12.341 1.00 13.33 H new ATOM 0 HA HIS A 15 12.332 2.265 -12.898 1.00 65.02 H new ATOM 0 HB2 HIS A 15 11.502 -0.615 -13.396 1.00 64.01 H new ATOM 0 HB3 HIS A 15 12.901 0.112 -14.162 1.00 64.01 H new ATOM 0 HD1 HIS A 15 14.921 0.808 -12.591 1.00 64.10 H new ATOM 0 HD2 HIS A 15 11.856 -1.362 -10.735 1.00 32.13 H new ATOM 0 HE1 HIS A 15 15.863 -0.015 -10.377 1.00 10.23 H new ATOM 89 N LYS A 16 11.952 1.997 -15.555 1.00 2.41 N ATOM 90 CA LYS A 16 11.568 2.359 -16.914 1.00 62.02 C ATOM 91 C LYS A 16 11.982 1.274 -17.903 1.00 75.33 C ATOM 92 O LYS A 16 13.154 0.906 -17.982 1.00 14.11 O ATOM 93 CB LYS A 16 12.206 3.693 -17.309 1.00 21.04 C ATOM 94 CG LYS A 16 11.383 4.490 -18.306 1.00 70.51 C ATOM 95 CD LYS A 16 10.267 5.260 -17.620 1.00 24.44 C ATOM 96 CE LYS A 16 9.557 6.193 -18.588 1.00 2.54 C ATOM 97 NZ LYS A 16 10.313 7.460 -18.792 1.00 65.12 N ATOM 0 H LYS A 16 12.949 1.822 -15.432 1.00 2.41 H new ATOM 0 HA LYS A 16 10.483 2.459 -16.943 1.00 62.02 H new ATOM 0 HB2 LYS A 16 12.356 4.294 -16.412 1.00 21.04 H new ATOM 0 HB3 LYS A 16 13.192 3.503 -17.734 1.00 21.04 H new ATOM 0 HG2 LYS A 16 12.031 5.185 -18.840 1.00 70.51 H new ATOM 0 HG3 LYS A 16 10.957 3.816 -19.049 1.00 70.51 H new ATOM 0 HD2 LYS A 16 9.548 4.559 -17.195 1.00 24.44 H new ATOM 0 HD3 LYS A 16 10.678 5.837 -16.792 1.00 24.44 H new ATOM 0 HE2 LYS A 16 9.425 5.690 -19.546 1.00 2.54 H new ATOM 0 HE3 LYS A 16 8.561 6.421 -18.208 1.00 2.54 H new ATOM 0 HZ1 LYS A 16 9.796 8.069 -19.458 1.00 65.12 H new ATOM 0 HZ2 LYS A 16 10.417 7.952 -17.882 1.00 65.12 H new ATOM 0 HZ3 LYS A 16 11.254 7.244 -19.179 1.00 65.12 H new ATOM 111 N SER A 17 11.012 0.766 -18.657 1.00 73.11 N ATOM 112 CA SER A 17 11.275 -0.279 -19.640 1.00 12.13 C ATOM 113 C SER A 17 12.131 0.255 -20.784 1.00 60.11 C ATOM 114 O SER A 17 12.202 1.459 -21.031 1.00 25.03 O ATOM 115 CB SER A 17 9.960 -0.835 -20.188 1.00 74.43 C ATOM 116 OG SER A 17 9.082 0.211 -20.567 1.00 35.54 O ATOM 0 H SER A 17 10.037 1.061 -18.606 1.00 73.11 H new ATOM 0 HA SER A 17 11.822 -1.081 -19.144 1.00 12.13 H new ATOM 0 HB2 SER A 17 10.162 -1.474 -21.048 1.00 74.43 H new ATOM 0 HB3 SER A 17 9.482 -1.459 -19.432 1.00 74.43 H new ATOM 0 HG SER A 17 8.875 0.135 -21.522 1.00 35.54 H new ATOM 122 N PRO A 18 12.797 -0.662 -21.501 1.00 63.30 N ATOM 123 CA PRO A 18 13.661 -0.309 -22.632 1.00 13.02 C ATOM 124 C PRO A 18 12.867 0.195 -23.832 1.00 53.10 C ATOM 125 O PRO A 18 13.441 0.638 -24.827 1.00 23.12 O ATOM 126 CB PRO A 18 14.361 -1.628 -22.969 1.00 54.23 C ATOM 127 CG PRO A 18 13.432 -2.685 -22.481 1.00 30.31 C ATOM 128 CD PRO A 18 12.759 -2.115 -21.263 1.00 73.03 C ATOM 0 HA PRO A 18 14.346 0.501 -22.384 1.00 13.02 H new ATOM 0 HB2 PRO A 18 14.537 -1.720 -24.041 1.00 54.23 H new ATOM 0 HB3 PRO A 18 15.332 -1.697 -22.479 1.00 54.23 H new ATOM 0 HG2 PRO A 18 12.700 -2.945 -23.246 1.00 30.31 H new ATOM 0 HG3 PRO A 18 13.974 -3.598 -22.236 1.00 30.31 H new ATOM 0 HD2 PRO A 18 11.737 -2.479 -21.161 1.00 73.03 H new ATOM 0 HD3 PRO A 18 13.286 -2.386 -20.348 1.00 73.03 H new ATOM 136 N ASP A 19 11.544 0.125 -23.732 1.00 11.42 N ATOM 137 CA ASP A 19 10.671 0.576 -24.809 1.00 53.42 C ATOM 138 C ASP A 19 10.235 2.021 -24.587 1.00 11.34 C ATOM 139 O ASP A 19 9.974 2.755 -25.539 1.00 15.23 O ATOM 140 CB ASP A 19 9.443 -0.330 -24.912 1.00 52.43 C ATOM 141 CG ASP A 19 8.839 -0.330 -26.303 1.00 30.30 C ATOM 142 OD1 ASP A 19 9.354 0.402 -27.173 1.00 64.44 O ATOM 143 OD2 ASP A 19 7.850 -1.062 -26.521 1.00 24.04 O ATOM 0 H ASP A 19 11.053 -0.240 -22.916 1.00 11.42 H new ATOM 0 HA ASP A 19 11.231 0.524 -25.743 1.00 53.42 H new ATOM 0 HB2 ASP A 19 9.722 -1.348 -24.640 1.00 52.43 H new ATOM 0 HB3 ASP A 19 8.692 -0.003 -24.193 1.00 52.43 H new ATOM 148 N GLY A 20 10.158 2.423 -23.321 1.00 72.13 N ATOM 149 CA GLY A 20 9.752 3.778 -22.996 1.00 70.25 C ATOM 150 C GLY A 20 8.601 3.818 -22.011 1.00 72.31 C ATOM 151 O GLY A 20 8.024 4.877 -21.763 1.00 31.40 O ATOM 0 H GLY A 20 10.370 1.834 -22.515 1.00 72.13 H new ATOM 0 HA2 GLY A 20 10.602 4.318 -22.579 1.00 70.25 H new ATOM 0 HA3 GLY A 20 9.462 4.296 -23.910 1.00 70.25 H new ATOM 155 N ARG A 21 8.265 2.661 -21.449 1.00 54.31 N ATOM 156 CA ARG A 21 7.173 2.568 -20.488 1.00 13.04 C ATOM 157 C ARG A 21 7.702 2.622 -19.057 1.00 55.34 C ATOM 158 O ARG A 21 8.829 3.056 -18.816 1.00 72.41 O ATOM 159 CB ARG A 21 6.385 1.275 -20.703 1.00 34.54 C ATOM 160 CG ARG A 21 6.282 0.859 -22.161 1.00 63.00 C ATOM 161 CD ARG A 21 5.586 -0.485 -22.310 1.00 13.41 C ATOM 162 NE ARG A 21 4.548 -0.452 -23.337 1.00 34.24 N ATOM 163 CZ ARG A 21 3.571 -1.348 -23.422 1.00 73.25 C ATOM 164 NH1 ARG A 21 3.499 -2.341 -22.547 1.00 72.41 N ATOM 165 NH2 ARG A 21 2.663 -1.251 -24.385 1.00 72.43 N ATOM 0 H ARG A 21 8.733 1.776 -21.643 1.00 54.31 H new ATOM 0 HA ARG A 21 6.511 3.419 -20.645 1.00 13.04 H new ATOM 0 HB2 ARG A 21 6.859 0.473 -20.138 1.00 34.54 H new ATOM 0 HB3 ARG A 21 5.381 1.400 -20.298 1.00 34.54 H new ATOM 0 HG2 ARG A 21 5.733 1.618 -22.719 1.00 63.00 H new ATOM 0 HG3 ARG A 21 7.280 0.803 -22.596 1.00 63.00 H new ATOM 0 HD2 ARG A 21 6.322 -1.248 -22.563 1.00 13.41 H new ATOM 0 HD3 ARG A 21 5.143 -0.772 -21.356 1.00 13.41 H new ATOM 0 HE ARG A 21 4.575 0.300 -24.026 1.00 34.24 H new ATOM 0 HH11 ARG A 21 4.195 -2.419 -21.806 1.00 72.41 H new ATOM 0 HH12 ARG A 21 2.747 -3.027 -22.615 1.00 72.41 H new ATOM 0 HH21 ARG A 21 2.715 -0.488 -25.060 1.00 72.43 H new ATOM 0 HH22 ARG A 21 1.913 -1.939 -24.450 1.00 72.43 H new ATOM 179 N THR A 22 6.880 2.180 -18.111 1.00 34.04 N ATOM 180 CA THR A 22 7.263 2.180 -16.705 1.00 21.44 C ATOM 181 C THR A 22 6.754 0.930 -15.996 1.00 71.52 C ATOM 182 O THR A 22 5.571 0.598 -16.076 1.00 31.44 O ATOM 183 CB THR A 22 6.724 3.425 -15.975 1.00 65.30 C ATOM 184 OG1 THR A 22 7.340 4.606 -16.502 1.00 33.52 O ATOM 185 CG2 THR A 22 6.989 3.333 -14.480 1.00 23.41 C ATOM 0 H THR A 22 5.944 1.817 -18.293 1.00 34.04 H new ATOM 0 HA THR A 22 8.353 2.194 -16.675 1.00 21.44 H new ATOM 0 HB THR A 22 5.647 3.475 -16.134 1.00 65.30 H new ATOM 0 HG1 THR A 22 6.991 5.393 -16.034 1.00 33.52 H new ATOM 0 HG21 THR A 22 6.600 4.223 -13.986 1.00 23.41 H new ATOM 0 HG22 THR A 22 6.495 2.449 -14.077 1.00 23.41 H new ATOM 0 HG23 THR A 22 8.062 3.261 -14.305 1.00 23.41 H new ATOM 193 N TYR A 23 7.653 0.240 -15.303 1.00 44.22 N ATOM 194 CA TYR A 23 7.295 -0.975 -14.582 1.00 31.03 C ATOM 195 C TYR A 23 7.920 -0.987 -13.190 1.00 44.02 C ATOM 196 O TYR A 23 9.087 -0.632 -13.018 1.00 72.33 O ATOM 197 CB TYR A 23 7.744 -2.210 -15.365 1.00 54.43 C ATOM 198 CG TYR A 23 9.230 -2.475 -15.279 1.00 14.24 C ATOM 199 CD1 TYR A 23 10.115 -1.875 -16.165 1.00 4.32 C ATOM 200 CD2 TYR A 23 9.748 -3.325 -14.309 1.00 71.04 C ATOM 201 CE1 TYR A 23 11.474 -2.115 -16.090 1.00 13.24 C ATOM 202 CE2 TYR A 23 11.105 -3.570 -14.226 1.00 0.22 C ATOM 203 CZ TYR A 23 11.964 -2.963 -15.118 1.00 53.23 C ATOM 204 OH TYR A 23 13.316 -3.203 -15.039 1.00 62.52 O ATOM 0 H TYR A 23 8.636 0.502 -15.225 1.00 44.22 H new ATOM 0 HA TYR A 23 6.211 -0.996 -14.474 1.00 31.03 H new ATOM 0 HB2 TYR A 23 7.206 -3.082 -14.992 1.00 54.43 H new ATOM 0 HB3 TYR A 23 7.465 -2.087 -16.412 1.00 54.43 H new ATOM 0 HD1 TYR A 23 9.735 -1.209 -16.926 1.00 4.32 H new ATOM 0 HD2 TYR A 23 9.078 -3.802 -13.608 1.00 71.04 H new ATOM 0 HE1 TYR A 23 12.149 -1.642 -16.788 1.00 13.24 H new ATOM 0 HE2 TYR A 23 11.491 -4.234 -13.466 1.00 0.22 H new ATOM 0 HH TYR A 23 13.489 -4.154 -15.200 1.00 62.52 H new ATOM 214 N TYR A 24 7.136 -1.398 -12.200 1.00 61.00 N ATOM 215 CA TYR A 24 7.611 -1.455 -10.823 1.00 32.24 C ATOM 216 C TYR A 24 8.250 -2.808 -10.522 1.00 40.44 C ATOM 217 O TYR A 24 8.027 -3.785 -11.237 1.00 73.00 O ATOM 218 CB TYR A 24 6.457 -1.197 -9.852 1.00 72.52 C ATOM 219 CG TYR A 24 5.756 0.123 -10.082 1.00 23.35 C ATOM 220 CD1 TYR A 24 4.913 0.305 -11.171 1.00 23.42 C ATOM 221 CD2 TYR A 24 5.937 1.188 -9.208 1.00 12.11 C ATOM 222 CE1 TYR A 24 4.272 1.509 -11.384 1.00 40.35 C ATOM 223 CE2 TYR A 24 5.298 2.396 -9.413 1.00 24.01 C ATOM 224 CZ TYR A 24 4.468 2.552 -10.503 1.00 35.23 C ATOM 225 OH TYR A 24 3.829 3.753 -10.711 1.00 64.02 O ATOM 0 H TYR A 24 6.169 -1.697 -12.325 1.00 61.00 H new ATOM 0 HA TYR A 24 8.366 -0.680 -10.694 1.00 32.24 H new ATOM 0 HB2 TYR A 24 5.731 -2.005 -9.941 1.00 72.52 H new ATOM 0 HB3 TYR A 24 6.839 -1.223 -8.832 1.00 72.52 H new ATOM 0 HD1 TYR A 24 4.756 -0.509 -11.863 1.00 23.42 H new ATOM 0 HD2 TYR A 24 6.588 1.070 -8.354 1.00 12.11 H new ATOM 0 HE1 TYR A 24 3.620 1.634 -12.236 1.00 40.35 H new ATOM 0 HE2 TYR A 24 5.448 3.213 -8.723 1.00 24.01 H new ATOM 0 HH TYR A 24 3.279 3.695 -11.520 1.00 64.02 H new ATOM 235 N TYR A 25 9.046 -2.855 -9.460 1.00 33.42 N ATOM 236 CA TYR A 25 9.720 -4.086 -9.064 1.00 73.44 C ATOM 237 C TYR A 25 9.775 -4.213 -7.545 1.00 64.10 C ATOM 238 O TYR A 25 10.302 -3.340 -6.857 1.00 43.22 O ATOM 239 CB TYR A 25 11.135 -4.126 -9.643 1.00 21.11 C ATOM 240 CG TYR A 25 11.842 -5.445 -9.424 1.00 51.32 C ATOM 241 CD1 TYR A 25 12.373 -5.773 -8.183 1.00 35.33 C ATOM 242 CD2 TYR A 25 11.980 -6.362 -10.459 1.00 11.41 C ATOM 243 CE1 TYR A 25 13.020 -6.977 -7.978 1.00 53.43 C ATOM 244 CE2 TYR A 25 12.624 -7.568 -10.263 1.00 41.22 C ATOM 245 CZ TYR A 25 13.142 -7.871 -9.021 1.00 45.44 C ATOM 246 OH TYR A 25 13.786 -9.071 -8.823 1.00 2.52 O ATOM 0 H TYR A 25 9.240 -2.055 -8.858 1.00 33.42 H new ATOM 0 HA TYR A 25 9.149 -4.926 -9.459 1.00 73.44 H new ATOM 0 HB2 TYR A 25 11.087 -3.923 -10.713 1.00 21.11 H new ATOM 0 HB3 TYR A 25 11.725 -3.328 -9.193 1.00 21.11 H new ATOM 0 HD1 TYR A 25 12.279 -5.075 -7.364 1.00 35.33 H new ATOM 0 HD2 TYR A 25 11.577 -6.128 -11.433 1.00 11.41 H new ATOM 0 HE1 TYR A 25 13.428 -7.216 -7.007 1.00 53.43 H new ATOM 0 HE2 TYR A 25 12.721 -8.270 -11.078 1.00 41.22 H new ATOM 0 HH TYR A 25 13.784 -9.585 -9.658 1.00 2.52 H new ATOM 256 N ASN A 26 9.228 -5.309 -7.029 1.00 13.53 N ATOM 257 CA ASN A 26 9.214 -5.551 -5.591 1.00 24.52 C ATOM 258 C ASN A 26 10.593 -5.982 -5.099 1.00 72.31 C ATOM 259 O ASN A 26 11.063 -7.077 -5.413 1.00 13.34 O ATOM 260 CB ASN A 26 8.179 -6.623 -5.243 1.00 53.41 C ATOM 261 CG ASN A 26 7.814 -6.618 -3.771 1.00 24.40 C ATOM 262 OD1 ASN A 26 8.590 -6.164 -2.930 1.00 31.35 O ATOM 263 ND2 ASN A 26 6.629 -7.126 -3.454 1.00 0.05 N ATOM 0 H ASN A 26 8.789 -6.043 -7.585 1.00 13.53 H new ATOM 0 HA ASN A 26 8.944 -4.619 -5.094 1.00 24.52 H new ATOM 0 HB2 ASN A 26 7.280 -6.463 -5.838 1.00 53.41 H new ATOM 0 HB3 ASN A 26 8.570 -7.604 -5.514 1.00 53.41 H new ATOM 0 HD21 ASN A 26 6.329 -7.151 -2.479 1.00 0.05 H new ATOM 0 HD22 ASN A 26 6.019 -7.491 -4.185 1.00 0.05 H new ATOM 270 N THR A 27 11.237 -5.114 -4.325 1.00 63.24 N ATOM 271 CA THR A 27 12.562 -5.404 -3.790 1.00 53.33 C ATOM 272 C THR A 27 12.469 -6.194 -2.490 1.00 13.42 C ATOM 273 O THR A 27 13.480 -6.457 -1.840 1.00 12.11 O ATOM 274 CB THR A 27 13.360 -4.111 -3.537 1.00 30.04 C ATOM 275 OG1 THR A 27 13.106 -3.630 -2.212 1.00 73.20 O ATOM 276 CG2 THR A 27 12.990 -3.039 -4.550 1.00 42.15 C ATOM 0 H THR A 27 10.863 -4.205 -4.055 1.00 63.24 H new ATOM 0 HA THR A 27 13.082 -6.002 -4.538 1.00 53.33 H new ATOM 0 HB THR A 27 14.421 -4.339 -3.644 1.00 30.04 H new ATOM 0 HG1 THR A 27 12.204 -3.249 -2.170 1.00 73.20 H new ATOM 0 HG21 THR A 27 13.566 -2.136 -4.351 1.00 42.15 H new ATOM 0 HG22 THR A 27 13.212 -3.397 -5.556 1.00 42.15 H new ATOM 0 HG23 THR A 27 11.926 -2.815 -4.471 1.00 42.15 H new ATOM 284 N GLU A 28 11.249 -6.569 -2.117 1.00 22.22 N ATOM 285 CA GLU A 28 11.026 -7.329 -0.893 1.00 31.43 C ATOM 286 C GLU A 28 10.641 -8.772 -1.210 1.00 41.55 C ATOM 287 O GLU A 28 10.965 -9.693 -0.460 1.00 53.02 O ATOM 288 CB GLU A 28 9.931 -6.672 -0.050 1.00 40.31 C ATOM 289 CG GLU A 28 9.405 -7.560 1.065 1.00 1.20 C ATOM 290 CD GLU A 28 10.485 -7.958 2.052 1.00 0.34 C ATOM 291 OE1 GLU A 28 11.262 -7.074 2.471 1.00 73.20 O ATOM 292 OE2 GLU A 28 10.553 -9.153 2.407 1.00 72.55 O ATOM 0 H GLU A 28 10.401 -6.359 -2.644 1.00 22.22 H new ATOM 0 HA GLU A 28 11.957 -7.335 -0.326 1.00 31.43 H new ATOM 0 HB2 GLU A 28 10.322 -5.752 0.384 1.00 40.31 H new ATOM 0 HB3 GLU A 28 9.103 -6.391 -0.701 1.00 40.31 H new ATOM 0 HG2 GLU A 28 8.608 -7.038 1.595 1.00 1.20 H new ATOM 0 HG3 GLU A 28 8.965 -8.458 0.632 1.00 1.20 H new ATOM 299 N THR A 29 9.947 -8.960 -2.329 1.00 31.04 N ATOM 300 CA THR A 29 9.516 -10.288 -2.746 1.00 32.22 C ATOM 301 C THR A 29 10.079 -10.643 -4.117 1.00 74.33 C ATOM 302 O THR A 29 9.834 -11.732 -4.638 1.00 15.22 O ATOM 303 CB THR A 29 7.980 -10.392 -2.791 1.00 54.23 C ATOM 304 OG1 THR A 29 7.566 -11.707 -2.405 1.00 73.25 O ATOM 305 CG2 THR A 29 7.457 -10.079 -4.185 1.00 42.33 C ATOM 0 H THR A 29 9.672 -8.209 -2.962 1.00 31.04 H new ATOM 0 HA THR A 29 9.898 -10.991 -2.006 1.00 32.22 H new ATOM 0 HB THR A 29 7.568 -9.663 -2.093 1.00 54.23 H new ATOM 0 HG1 THR A 29 6.588 -11.764 -2.435 1.00 73.25 H new ATOM 0 HG21 THR A 29 6.370 -10.159 -4.192 1.00 42.33 H new ATOM 0 HG22 THR A 29 7.748 -9.066 -4.464 1.00 42.33 H new ATOM 0 HG23 THR A 29 7.878 -10.787 -4.899 1.00 42.33 H new ATOM 313 N LYS A 30 10.835 -9.719 -4.699 1.00 1.43 N ATOM 314 CA LYS A 30 11.435 -9.934 -6.010 1.00 24.11 C ATOM 315 C LYS A 30 10.361 -10.141 -7.073 1.00 1.52 C ATOM 316 O LYS A 30 10.238 -11.226 -7.640 1.00 41.53 O ATOM 317 CB LYS A 30 12.371 -11.145 -5.973 1.00 15.13 C ATOM 318 CG LYS A 30 13.583 -10.950 -5.079 1.00 41.21 C ATOM 319 CD LYS A 30 13.325 -11.458 -3.670 1.00 42.24 C ATOM 320 CE LYS A 30 14.463 -11.094 -2.730 1.00 5.25 C ATOM 321 NZ LYS A 30 15.718 -11.822 -3.068 1.00 54.35 N ATOM 0 H LYS A 30 11.047 -8.812 -4.283 1.00 1.43 H new ATOM 0 HA LYS A 30 12.010 -9.045 -6.268 1.00 24.11 H new ATOM 0 HB2 LYS A 30 11.812 -12.015 -5.628 1.00 15.13 H new ATOM 0 HB3 LYS A 30 12.709 -11.364 -6.986 1.00 15.13 H new ATOM 0 HG2 LYS A 30 14.438 -11.475 -5.505 1.00 41.21 H new ATOM 0 HG3 LYS A 30 13.843 -9.892 -5.043 1.00 41.21 H new ATOM 0 HD2 LYS A 30 12.393 -11.036 -3.295 1.00 42.24 H new ATOM 0 HD3 LYS A 30 13.200 -12.541 -3.690 1.00 42.24 H new ATOM 0 HE2 LYS A 30 14.643 -10.020 -2.777 1.00 5.25 H new ATOM 0 HE3 LYS A 30 14.175 -11.325 -1.704 1.00 5.25 H new ATOM 0 HZ1 LYS A 30 16.464 -11.559 -2.393 1.00 54.35 H new ATOM 0 HZ2 LYS A 30 15.550 -12.847 -3.015 1.00 54.35 H new ATOM 0 HZ3 LYS A 30 16.017 -11.569 -4.031 1.00 54.35 H new ATOM 335 N GLN A 31 9.588 -9.092 -7.337 1.00 72.55 N ATOM 336 CA GLN A 31 8.525 -9.160 -8.333 1.00 72.23 C ATOM 337 C GLN A 31 8.584 -7.962 -9.275 1.00 70.10 C ATOM 338 O GLN A 31 9.501 -7.145 -9.198 1.00 41.44 O ATOM 339 CB GLN A 31 7.158 -9.218 -7.648 1.00 63.52 C ATOM 340 CG GLN A 31 6.400 -10.509 -7.912 1.00 22.52 C ATOM 341 CD GLN A 31 5.867 -10.594 -9.328 1.00 70.34 C ATOM 342 OE1 GLN A 31 6.317 -11.418 -10.125 1.00 63.12 O ATOM 343 NE2 GLN A 31 4.902 -9.741 -9.650 1.00 51.21 N ATOM 0 H GLN A 31 9.678 -8.187 -6.876 1.00 72.55 H new ATOM 0 HA GLN A 31 8.669 -10.068 -8.919 1.00 72.23 H new ATOM 0 HB2 GLN A 31 7.294 -9.100 -6.573 1.00 63.52 H new ATOM 0 HB3 GLN A 31 6.555 -8.376 -7.988 1.00 63.52 H new ATOM 0 HG2 GLN A 31 7.058 -11.357 -7.724 1.00 22.52 H new ATOM 0 HG3 GLN A 31 5.570 -10.588 -7.210 1.00 22.52 H new ATOM 0 HE21 GLN A 31 4.559 -9.075 -8.958 1.00 51.21 H new ATOM 0 HE22 GLN A 31 4.504 -9.752 -10.589 1.00 51.21 H new ATOM 352 N SER A 32 7.600 -7.865 -10.163 1.00 40.34 N ATOM 353 CA SER A 32 7.543 -6.768 -11.123 1.00 75.42 C ATOM 354 C SER A 32 6.131 -6.605 -11.678 1.00 34.43 C ATOM 355 O SER A 32 5.335 -7.546 -11.672 1.00 3.22 O ATOM 356 CB SER A 32 8.527 -7.013 -12.268 1.00 43.03 C ATOM 357 OG SER A 32 9.609 -7.825 -11.846 1.00 31.20 O ATOM 0 H SER A 32 6.832 -8.532 -10.238 1.00 40.34 H new ATOM 0 HA SER A 32 7.820 -5.850 -10.605 1.00 75.42 H new ATOM 0 HB2 SER A 32 8.010 -7.493 -13.099 1.00 43.03 H new ATOM 0 HB3 SER A 32 8.906 -6.060 -12.636 1.00 43.03 H new ATOM 0 HG SER A 32 10.208 -7.301 -11.274 1.00 31.20 H new ATOM 363 N THR A 33 5.825 -5.404 -12.157 1.00 51.34 N ATOM 364 CA THR A 33 4.510 -5.115 -12.715 1.00 34.13 C ATOM 365 C THR A 33 4.536 -3.844 -13.556 1.00 34.02 C ATOM 366 O THR A 33 5.487 -3.066 -13.492 1.00 2.33 O ATOM 367 CB THR A 33 3.451 -4.962 -11.606 1.00 60.12 C ATOM 368 OG1 THR A 33 2.177 -4.657 -12.184 1.00 50.22 O ATOM 369 CG2 THR A 33 3.846 -3.865 -10.629 1.00 31.54 C ATOM 0 H THR A 33 6.471 -4.615 -12.170 1.00 51.34 H new ATOM 0 HA THR A 33 4.243 -5.961 -13.349 1.00 34.13 H new ATOM 0 HB THR A 33 3.387 -5.905 -11.063 1.00 60.12 H new ATOM 0 HG1 THR A 33 1.482 -4.720 -11.496 1.00 50.22 H new ATOM 0 HG21 THR A 33 3.084 -3.775 -9.855 1.00 31.54 H new ATOM 0 HG22 THR A 33 4.802 -4.114 -10.169 1.00 31.54 H new ATOM 0 HG23 THR A 33 3.936 -2.918 -11.162 1.00 31.54 H new ATOM 377 N TRP A 34 3.486 -3.640 -14.343 1.00 14.44 N ATOM 378 CA TRP A 34 3.388 -2.461 -15.196 1.00 64.15 C ATOM 379 C TRP A 34 2.540 -1.380 -14.537 1.00 0.51 C ATOM 380 O TRP A 34 2.421 -0.270 -15.056 1.00 35.31 O ATOM 381 CB TRP A 34 2.792 -2.837 -16.554 1.00 24.20 C ATOM 382 CG TRP A 34 3.724 -3.641 -17.410 1.00 2.33 C ATOM 383 CD1 TRP A 34 3.602 -4.961 -17.738 1.00 44.33 C ATOM 384 CD2 TRP A 34 4.921 -3.176 -18.044 1.00 31.22 C ATOM 385 NE1 TRP A 34 4.651 -5.345 -18.538 1.00 44.35 N ATOM 386 CE2 TRP A 34 5.474 -4.268 -18.741 1.00 74.13 C ATOM 387 CE3 TRP A 34 5.578 -1.944 -18.092 1.00 41.10 C ATOM 388 CZ2 TRP A 34 6.652 -4.163 -19.475 1.00 51.44 C ATOM 389 CZ3 TRP A 34 6.748 -1.841 -18.821 1.00 14.12 C ATOM 390 CH2 TRP A 34 7.275 -2.944 -19.505 1.00 75.32 C ATOM 0 H TRP A 34 2.691 -4.275 -14.408 1.00 14.44 H new ATOM 0 HA TRP A 34 4.393 -2.067 -15.344 1.00 64.15 H new ATOM 0 HB2 TRP A 34 1.875 -3.405 -16.396 1.00 24.20 H new ATOM 0 HB3 TRP A 34 2.516 -1.927 -17.086 1.00 24.20 H new ATOM 0 HD1 TRP A 34 2.799 -5.608 -17.416 1.00 44.33 H new ATOM 0 HE1 TRP A 34 4.794 -6.280 -18.919 1.00 44.35 H new ATOM 0 HE3 TRP A 34 5.179 -1.087 -17.569 1.00 41.10 H new ATOM 0 HZ2 TRP A 34 7.060 -5.013 -20.002 1.00 51.44 H new ATOM 0 HZ3 TRP A 34 7.265 -0.894 -18.864 1.00 14.12 H new ATOM 0 HH2 TRP A 34 8.190 -2.831 -20.067 1.00 75.32 H new ATOM 401 N GLU A 35 1.953 -1.710 -13.391 1.00 23.23 N ATOM 402 CA GLU A 35 1.115 -0.765 -12.662 1.00 25.32 C ATOM 403 C GLU A 35 1.699 -0.473 -11.282 1.00 55.02 C ATOM 404 O GLU A 35 2.508 -1.241 -10.762 1.00 34.34 O ATOM 405 CB GLU A 35 -0.306 -1.313 -12.521 1.00 72.30 C ATOM 406 CG GLU A 35 -0.357 -2.778 -12.120 1.00 60.00 C ATOM 407 CD GLU A 35 -1.773 -3.274 -11.900 1.00 40.03 C ATOM 408 OE1 GLU A 35 -2.716 -2.478 -12.092 1.00 11.25 O ATOM 409 OE2 GLU A 35 -1.938 -4.457 -11.537 1.00 72.22 O ATOM 0 H GLU A 35 2.042 -2.624 -12.947 1.00 23.23 H new ATOM 0 HA GLU A 35 1.083 0.166 -13.229 1.00 25.32 H new ATOM 0 HB2 GLU A 35 -0.842 -0.723 -11.778 1.00 72.30 H new ATOM 0 HB3 GLU A 35 -0.831 -1.186 -13.468 1.00 72.30 H new ATOM 0 HG2 GLU A 35 0.118 -3.380 -12.895 1.00 60.00 H new ATOM 0 HG3 GLU A 35 0.220 -2.921 -11.206 1.00 60.00 H new ATOM 416 N LYS A 36 1.282 0.644 -10.695 1.00 61.10 N ATOM 417 CA LYS A 36 1.761 1.040 -9.376 1.00 31.31 C ATOM 418 C LYS A 36 1.092 0.212 -8.283 1.00 54.13 C ATOM 419 O LYS A 36 -0.112 0.312 -8.045 1.00 72.21 O ATOM 420 CB LYS A 36 1.494 2.528 -9.139 1.00 72.21 C ATOM 421 CG LYS A 36 2.364 3.137 -8.053 1.00 34.41 C ATOM 422 CD LYS A 36 1.588 4.138 -7.213 1.00 61.32 C ATOM 423 CE LYS A 36 2.511 5.166 -6.578 1.00 43.21 C ATOM 424 NZ LYS A 36 2.911 6.225 -7.546 1.00 2.12 N ATOM 0 H LYS A 36 0.613 1.291 -11.112 1.00 61.10 H new ATOM 0 HA LYS A 36 2.835 0.860 -9.338 1.00 31.31 H new ATOM 0 HB2 LYS A 36 1.657 3.071 -10.070 1.00 72.21 H new ATOM 0 HB3 LYS A 36 0.446 2.662 -8.871 1.00 72.21 H new ATOM 0 HG2 LYS A 36 2.753 2.347 -7.411 1.00 34.41 H new ATOM 0 HG3 LYS A 36 3.223 3.631 -8.508 1.00 34.41 H new ATOM 0 HD2 LYS A 36 0.852 4.645 -7.837 1.00 61.32 H new ATOM 0 HD3 LYS A 36 1.037 3.611 -6.434 1.00 61.32 H new ATOM 0 HE2 LYS A 36 2.012 5.624 -5.724 1.00 43.21 H new ATOM 0 HE3 LYS A 36 3.402 4.667 -6.196 1.00 43.21 H new ATOM 0 HZ1 LYS A 36 3.540 6.906 -7.075 1.00 2.12 H new ATOM 0 HZ2 LYS A 36 3.410 5.791 -8.349 1.00 2.12 H new ATOM 0 HZ3 LYS A 36 2.063 6.718 -7.891 1.00 2.12 H new ATOM 438 N PRO A 37 1.888 -0.624 -7.601 1.00 63.12 N ATOM 439 CA PRO A 37 1.394 -1.483 -6.521 1.00 64.42 C ATOM 440 C PRO A 37 1.003 -0.688 -5.281 1.00 12.05 C ATOM 441 O PRO A 37 1.774 -0.589 -4.326 1.00 43.53 O ATOM 442 CB PRO A 37 2.587 -2.394 -6.218 1.00 44.54 C ATOM 443 CG PRO A 37 3.780 -1.612 -6.651 1.00 55.11 C ATOM 444 CD PRO A 37 3.333 -0.795 -7.832 1.00 13.44 C ATOM 0 HA PRO A 37 0.491 -2.022 -6.809 1.00 64.42 H new ATOM 0 HB2 PRO A 37 2.638 -2.640 -5.157 1.00 44.54 H new ATOM 0 HB3 PRO A 37 2.513 -3.337 -6.760 1.00 44.54 H new ATOM 0 HG2 PRO A 37 4.139 -0.971 -5.846 1.00 55.11 H new ATOM 0 HG3 PRO A 37 4.603 -2.273 -6.923 1.00 55.11 H new ATOM 0 HD2 PRO A 37 3.849 0.164 -7.876 1.00 13.44 H new ATOM 0 HD3 PRO A 37 3.532 -1.307 -8.773 1.00 13.44 H new ATOM 452 N ASP A 38 -0.200 -0.124 -5.300 1.00 43.14 N ATOM 453 CA ASP A 38 -0.694 0.662 -4.176 1.00 33.21 C ATOM 454 C ASP A 38 -2.185 0.421 -3.959 1.00 0.23 C ATOM 455 O ASP A 38 -2.863 1.214 -3.305 1.00 52.14 O ATOM 456 CB ASP A 38 -0.435 2.150 -4.413 1.00 4.43 C ATOM 457 CG ASP A 38 -0.561 2.969 -3.143 1.00 50.32 C ATOM 458 OD1 ASP A 38 0.389 2.958 -2.332 1.00 72.32 O ATOM 459 OD2 ASP A 38 -1.609 3.623 -2.961 1.00 74.50 O ATOM 0 H ASP A 38 -0.851 -0.197 -6.082 1.00 43.14 H new ATOM 0 HA ASP A 38 -0.158 0.347 -3.281 1.00 33.21 H new ATOM 0 HB2 ASP A 38 0.564 2.280 -4.828 1.00 4.43 H new ATOM 0 HB3 ASP A 38 -1.140 2.525 -5.155 1.00 4.43 H new ATOM 464 N ASP A 39 -2.688 -0.677 -4.512 1.00 13.15 N ATOM 465 CA ASP A 39 -4.099 -1.022 -4.378 1.00 61.35 C ATOM 466 C ASP A 39 -4.263 -2.441 -3.841 1.00 43.42 C ATOM 467 O ASP A 39 -4.309 -3.382 -4.631 1.00 65.23 O ATOM 468 CB ASP A 39 -4.808 -0.889 -5.727 1.00 62.52 C ATOM 469 CG ASP A 39 -3.933 -1.325 -6.886 1.00 50.44 C ATOM 470 OD1 ASP A 39 -3.161 -2.292 -6.717 1.00 41.32 O ATOM 471 OD2 ASP A 39 -4.021 -0.699 -7.963 1.00 52.42 O ATOM 0 H ASP A 39 -2.141 -1.343 -5.057 1.00 13.15 H new ATOM 0 HA ASP A 39 -4.552 -0.330 -3.668 1.00 61.35 H new ATOM 0 HB2 ASP A 39 -5.718 -1.489 -5.717 1.00 62.52 H new ATOM 0 HB3 ASP A 39 -5.111 0.148 -5.874 1.00 62.52 H new TER 476 ASP A 39 ATOM 477 N GLY B 1 20.566 2.958 -12.700 1.00 34.51 N ATOM 478 CA GLY B 1 20.620 1.517 -12.868 1.00 43.22 C ATOM 479 C GLY B 1 21.102 1.112 -14.247 1.00 51.54 C ATOM 480 O GLY B 1 20.416 1.342 -15.244 1.00 23.23 O ATOM 0 H1 GLY B 1 20.231 3.183 -11.742 1.00 34.51 H new ATOM 0 H2 GLY B 1 21.515 3.359 -12.838 1.00 34.51 H new ATOM 0 H3 GLY B 1 19.913 3.365 -13.400 1.00 34.51 H new ATOM 0 HA2 GLY B 1 21.283 1.091 -12.115 1.00 43.22 H new ATOM 0 HA3 GLY B 1 19.629 1.097 -12.695 1.00 43.22 H new ATOM 484 N SER B 2 22.285 0.510 -14.306 1.00 43.01 N ATOM 485 CA SER B 2 22.861 0.078 -15.574 1.00 73.53 C ATOM 486 C SER B 2 22.094 -1.114 -16.140 1.00 50.15 C ATOM 487 O SER B 2 21.403 -0.999 -17.154 1.00 3.14 O ATOM 488 CB SER B 2 24.334 -0.290 -15.391 1.00 23.42 C ATOM 489 OG SER B 2 24.977 -0.463 -16.642 1.00 55.42 O ATOM 0 H SER B 2 22.864 0.310 -13.490 1.00 43.01 H new ATOM 0 HA SER B 2 22.786 0.906 -16.279 1.00 73.53 H new ATOM 0 HB2 SER B 2 24.839 0.492 -14.824 1.00 23.42 H new ATOM 0 HB3 SER B 2 24.413 -1.208 -14.808 1.00 23.42 H new ATOM 0 HG SER B 2 25.918 -0.696 -16.497 1.00 55.42 H new ATOM 495 N THR B 3 22.221 -2.260 -15.479 1.00 14.15 N ATOM 496 CA THR B 3 21.542 -3.474 -15.915 1.00 12.52 C ATOM 497 C THR B 3 20.048 -3.406 -15.617 1.00 5.34 C ATOM 498 O THR B 3 19.223 -3.790 -16.444 1.00 33.31 O ATOM 499 CB THR B 3 22.133 -4.723 -15.235 1.00 62.14 C ATOM 500 OG1 THR B 3 23.518 -4.510 -14.938 1.00 73.11 O ATOM 501 CG2 THR B 3 21.983 -5.946 -16.127 1.00 62.24 C ATOM 0 H THR B 3 22.788 -2.373 -14.639 1.00 14.15 H new ATOM 0 HA THR B 3 21.692 -3.550 -16.992 1.00 12.52 H new ATOM 0 HB THR B 3 21.586 -4.899 -14.309 1.00 62.14 H new ATOM 0 HG1 THR B 3 23.886 -5.308 -14.504 1.00 73.11 H new ATOM 0 HG21 THR B 3 22.407 -6.816 -15.626 1.00 62.24 H new ATOM 0 HG22 THR B 3 20.926 -6.123 -16.328 1.00 62.24 H new ATOM 0 HG23 THR B 3 22.508 -5.777 -17.067 1.00 62.24 H new ATOM 509 N ALA B 4 19.708 -2.914 -14.430 1.00 5.42 N ATOM 510 CA ALA B 4 18.314 -2.793 -14.024 1.00 13.11 C ATOM 511 C ALA B 4 17.651 -4.163 -13.921 1.00 5.31 C ATOM 512 O ALA B 4 18.125 -5.152 -14.481 1.00 2.42 O ATOM 513 CB ALA B 4 17.554 -1.909 -15.002 1.00 70.42 C ATOM 0 H ALA B 4 20.380 -2.593 -13.733 1.00 5.42 H new ATOM 0 HA ALA B 4 18.288 -2.331 -13.037 1.00 13.11 H new ATOM 0 HB1 ALA B 4 16.514 -1.828 -14.686 1.00 70.42 H new ATOM 0 HB2 ALA B 4 18.006 -0.917 -15.023 1.00 70.42 H new ATOM 0 HB3 ALA B 4 17.597 -2.348 -15.999 1.00 70.42 H new ATOM 519 N PRO B 5 16.530 -4.225 -13.188 1.00 52.11 N ATOM 520 CA PRO B 5 15.779 -5.469 -12.994 1.00 53.25 C ATOM 521 C PRO B 5 15.087 -5.933 -14.272 1.00 12.14 C ATOM 522 O PRO B 5 14.996 -5.202 -15.258 1.00 11.31 O ATOM 523 CB PRO B 5 14.743 -5.096 -11.930 1.00 64.15 C ATOM 524 CG PRO B 5 14.568 -3.623 -12.072 1.00 24.43 C ATOM 525 CD PRO B 5 15.908 -3.086 -12.492 1.00 41.44 C ATOM 0 HA PRO B 5 16.428 -6.296 -12.705 1.00 53.25 H new ATOM 0 HB2 PRO B 5 13.803 -5.624 -12.091 1.00 64.15 H new ATOM 0 HB3 PRO B 5 15.090 -5.359 -10.931 1.00 64.15 H new ATOM 0 HG2 PRO B 5 13.804 -3.390 -12.814 1.00 24.43 H new ATOM 0 HG3 PRO B 5 14.246 -3.176 -11.132 1.00 24.43 H new ATOM 0 HD2 PRO B 5 15.807 -2.221 -13.148 1.00 41.44 H new ATOM 0 HD3 PRO B 5 16.500 -2.768 -11.634 1.00 41.44 H new ATOM 533 N PRO B 6 14.586 -7.177 -14.256 1.00 21.23 N ATOM 534 CA PRO B 6 13.892 -7.766 -15.405 1.00 24.10 C ATOM 535 C PRO B 6 12.535 -7.118 -15.657 1.00 64.03 C ATOM 536 O PRO B 6 12.100 -6.250 -14.900 1.00 32.14 O ATOM 537 CB PRO B 6 13.718 -9.232 -15.001 1.00 20.21 C ATOM 538 CG PRO B 6 13.729 -9.218 -13.511 1.00 61.43 C ATOM 539 CD PRO B 6 14.658 -8.105 -13.114 1.00 42.23 C ATOM 0 HA PRO B 6 14.449 -7.628 -16.332 1.00 24.10 H new ATOM 0 HB2 PRO B 6 12.784 -9.641 -15.386 1.00 20.21 H new ATOM 0 HB3 PRO B 6 14.524 -9.850 -15.397 1.00 20.21 H new ATOM 0 HG2 PRO B 6 12.727 -9.050 -13.115 1.00 61.43 H new ATOM 0 HG3 PRO B 6 14.073 -10.173 -13.114 1.00 61.43 H new ATOM 0 HD2 PRO B 6 14.340 -7.627 -12.187 1.00 42.23 H new ATOM 0 HD3 PRO B 6 15.674 -8.467 -12.954 1.00 42.23 H new ATOM 547 N LEU B 7 11.871 -7.545 -16.726 1.00 11.44 N ATOM 548 CA LEU B 7 10.562 -7.006 -17.078 1.00 13.13 C ATOM 549 C LEU B 7 9.446 -7.920 -16.582 1.00 54.04 C ATOM 550 O LEU B 7 9.569 -9.145 -16.578 1.00 53.04 O ATOM 551 CB LEU B 7 10.454 -6.825 -18.593 1.00 15.12 C ATOM 552 CG LEU B 7 10.214 -5.396 -19.083 1.00 35.53 C ATOM 553 CD1 LEU B 7 11.213 -4.440 -18.451 1.00 24.40 C ATOM 554 CD2 LEU B 7 10.297 -5.332 -20.601 1.00 22.12 C ATOM 0 H LEU B 7 12.217 -8.262 -17.363 1.00 11.44 H new ATOM 0 HA LEU B 7 10.453 -6.035 -16.594 1.00 13.13 H new ATOM 0 HB2 LEU B 7 11.372 -7.195 -19.049 1.00 15.12 H new ATOM 0 HB3 LEU B 7 9.641 -7.454 -18.957 1.00 15.12 H new ATOM 0 HG LEU B 7 9.212 -5.092 -18.781 1.00 35.53 H new ATOM 0 HD11 LEU B 7 11.027 -3.428 -18.812 1.00 24.40 H new ATOM 0 HD12 LEU B 7 11.104 -4.465 -17.367 1.00 24.40 H new ATOM 0 HD13 LEU B 7 12.225 -4.741 -18.721 1.00 24.40 H new ATOM 0 HD21 LEU B 7 10.124 -4.308 -20.932 1.00 22.12 H new ATOM 0 HD22 LEU B 7 11.286 -5.656 -20.925 1.00 22.12 H new ATOM 0 HD23 LEU B 7 9.541 -5.986 -21.035 1.00 22.12 H new ATOM 566 N PRO B 8 8.328 -7.313 -16.156 1.00 42.41 N ATOM 567 CA PRO B 8 7.167 -8.053 -15.654 1.00 2.05 C ATOM 568 C PRO B 8 6.447 -8.820 -16.757 1.00 55.21 C ATOM 569 O PRO B 8 6.903 -8.857 -17.900 1.00 21.33 O ATOM 570 CB PRO B 8 6.264 -6.954 -15.088 1.00 34.41 C ATOM 571 CG PRO B 8 6.642 -5.727 -15.842 1.00 44.21 C ATOM 572 CD PRO B 8 8.112 -5.856 -16.133 1.00 21.14 C ATOM 0 HA PRO B 8 7.451 -8.809 -14.922 1.00 2.05 H new ATOM 0 HB2 PRO B 8 5.211 -7.196 -15.228 1.00 34.41 H new ATOM 0 HB3 PRO B 8 6.421 -6.825 -14.017 1.00 34.41 H new ATOM 0 HG2 PRO B 8 6.067 -5.643 -16.765 1.00 44.21 H new ATOM 0 HG3 PRO B 8 6.437 -4.831 -15.257 1.00 44.21 H new ATOM 0 HD2 PRO B 8 8.375 -5.396 -17.085 1.00 21.14 H new ATOM 0 HD3 PRO B 8 8.717 -5.372 -15.367 1.00 21.14 H new ATOM 580 N ARG B 9 5.318 -9.429 -16.408 1.00 64.50 N ATOM 581 CA ARG B 9 4.535 -10.196 -17.369 1.00 61.05 C ATOM 582 C ARG B 9 5.389 -11.274 -18.030 1.00 64.03 C ATOM 583 O ARG B 9 5.223 -11.573 -19.213 1.00 4.11 O ATOM 584 CB ARG B 9 3.949 -9.269 -18.436 1.00 62.44 C ATOM 585 CG ARG B 9 2.633 -9.763 -19.015 1.00 42.33 C ATOM 586 CD ARG B 9 1.464 -9.432 -18.101 1.00 73.13 C ATOM 587 NE ARG B 9 0.292 -10.254 -18.393 1.00 1.25 N ATOM 588 CZ ARG B 9 -0.928 -9.979 -17.945 1.00 51.21 C ATOM 589 NH1 ARG B 9 -1.135 -8.909 -17.190 1.00 54.32 N ATOM 590 NH2 ARG B 9 -1.944 -10.775 -18.253 1.00 51.32 N ATOM 0 H ARG B 9 4.925 -9.406 -15.467 1.00 64.50 H new ATOM 0 HA ARG B 9 3.721 -10.681 -16.831 1.00 61.05 H new ATOM 0 HB2 ARG B 9 3.797 -8.280 -18.003 1.00 62.44 H new ATOM 0 HB3 ARG B 9 4.672 -9.156 -19.244 1.00 62.44 H new ATOM 0 HG2 ARG B 9 2.471 -9.310 -19.993 1.00 42.33 H new ATOM 0 HG3 ARG B 9 2.683 -10.841 -19.168 1.00 42.33 H new ATOM 0 HD2 ARG B 9 1.762 -9.581 -17.063 1.00 73.13 H new ATOM 0 HD3 ARG B 9 1.205 -8.379 -18.211 1.00 73.13 H new ATOM 0 HE ARG B 9 0.417 -11.084 -18.972 1.00 1.25 H new ATOM 0 HH11 ARG B 9 -0.356 -8.295 -16.952 1.00 54.32 H new ATOM 0 HH12 ARG B 9 -2.073 -8.700 -16.847 1.00 54.32 H new ATOM 0 HH21 ARG B 9 -1.789 -11.599 -18.834 1.00 51.32 H new ATOM 0 HH22 ARG B 9 -2.880 -10.563 -17.909 1.00 51.32 H new TER 604 ARG B 9