USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 ALA N :NH3+ -178:sc= 0.832 (180deg=0) USER MOD Set 1.2: A 47 THR OG1 : rot -170:sc= 0.803 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 40 ASN : amide:sc= 0.295 X(o=0.3,f=-0.13) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= -0.626 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0353 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.661 K(o=-0.66,f=-1.6!) USER MOD Single : A 15 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0296) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -168:sc=-0.00734 (180deg=-0.141) USER MOD Single : A 18 ASN : amide:sc= -2.01! C(o=-2!,f=-9.4!) USER MOD Single : A 22 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.518) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0482 X(o=-0.048,f=-0.048) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -4.36 X(o=-4.4,f=-4.6!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 50 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.150 0.793 -1.734 1.00 5.31 N ATOM 2 CA ALA A 1 1.801 0.246 -1.672 1.00 13.53 C ATOM 3 C ALA A 1 1.703 -1.064 -2.445 1.00 61.03 C ATOM 4 O ALA A 1 2.390 -1.258 -3.449 1.00 14.52 O ATOM 5 CB ALA A 1 0.797 1.255 -2.210 1.00 43.52 C ATOM 0 H1 ALA A 1 3.197 1.667 -1.172 1.00 5.31 H new ATOM 0 H2 ALA A 1 3.824 0.099 -1.352 1.00 5.31 H new ATOM 0 H3 ALA A 1 3.394 1.004 -2.723 1.00 5.31 H new ATOM 0 HA ALA A 1 1.568 0.039 -0.628 1.00 13.53 H new ATOM 0 HB1 ALA A 1 -0.207 0.833 -2.158 1.00 43.52 H new ATOM 0 HB2 ALA A 1 0.840 2.165 -1.612 1.00 43.52 H new ATOM 0 HB3 ALA A 1 1.038 1.491 -3.247 1.00 43.52 H new ATOM 11 N LYS A 2 0.846 -1.963 -1.972 1.00 43.51 N ATOM 12 CA LYS A 2 0.658 -3.256 -2.619 1.00 14.50 C ATOM 13 C LYS A 2 -0.565 -3.234 -3.531 1.00 64.34 C ATOM 14 O LYS A 2 -1.656 -2.846 -3.114 1.00 31.50 O ATOM 15 CB LYS A 2 0.504 -4.357 -1.568 1.00 35.11 C ATOM 16 CG LYS A 2 1.824 -4.838 -0.993 1.00 5.03 C ATOM 17 CD LYS A 2 1.622 -5.606 0.302 1.00 31.44 C ATOM 18 CE LYS A 2 1.917 -7.088 0.124 1.00 45.33 C ATOM 19 NZ LYS A 2 3.207 -7.477 0.758 1.00 2.55 N ATOM 0 H LYS A 2 0.270 -1.819 -1.142 1.00 43.51 H new ATOM 0 HA LYS A 2 1.539 -3.463 -3.226 1.00 14.50 H new ATOM 0 HB2 LYS A 2 -0.123 -3.988 -0.756 1.00 35.11 H new ATOM 0 HB3 LYS A 2 -0.018 -5.203 -2.014 1.00 35.11 H new ATOM 0 HG2 LYS A 2 2.328 -5.475 -1.720 1.00 5.03 H new ATOM 0 HG3 LYS A 2 2.476 -3.983 -0.812 1.00 5.03 H new ATOM 0 HD2 LYS A 2 2.272 -5.195 1.075 1.00 31.44 H new ATOM 0 HD3 LYS A 2 0.596 -5.477 0.646 1.00 31.44 H new ATOM 0 HE2 LYS A 2 1.107 -7.674 0.559 1.00 45.33 H new ATOM 0 HE3 LYS A 2 1.948 -7.327 -0.939 1.00 45.33 H new ATOM 0 HZ1 LYS A 2 3.372 -8.494 0.615 1.00 2.55 H new ATOM 0 HZ2 LYS A 2 3.983 -6.936 0.326 1.00 2.55 H new ATOM 0 HZ3 LYS A 2 3.168 -7.273 1.777 1.00 2.55 H new ATOM 33 N TYR A 3 -0.374 -3.654 -4.777 1.00 75.50 N ATOM 34 CA TYR A 3 -1.461 -3.683 -5.748 1.00 55.44 C ATOM 35 C TYR A 3 -1.626 -5.079 -6.342 1.00 0.44 C ATOM 36 O TYR A 3 -0.651 -5.715 -6.744 1.00 13.12 O ATOM 37 CB TYR A 3 -1.202 -2.669 -6.865 1.00 34.34 C ATOM 38 CG TYR A 3 -1.235 -1.232 -6.397 1.00 0.20 C ATOM 39 CD1 TYR A 3 -2.410 -0.661 -5.924 1.00 74.20 C ATOM 40 CD2 TYR A 3 -0.091 -0.444 -6.429 1.00 11.11 C ATOM 41 CE1 TYR A 3 -2.445 0.652 -5.496 1.00 73.13 C ATOM 42 CE2 TYR A 3 -0.116 0.870 -6.002 1.00 33.51 C ATOM 43 CZ TYR A 3 -1.296 1.413 -5.537 1.00 24.03 C ATOM 44 OH TYR A 3 -1.325 2.721 -5.112 1.00 12.52 O ATOM 0 H TYR A 3 0.523 -3.979 -5.138 1.00 75.50 H new ATOM 0 HA TYR A 3 -2.383 -3.417 -5.230 1.00 55.44 H new ATOM 0 HB2 TYR A 3 -0.230 -2.874 -7.313 1.00 34.34 H new ATOM 0 HB3 TYR A 3 -1.948 -2.805 -7.648 1.00 34.34 H new ATOM 0 HD1 TYR A 3 -3.312 -1.254 -5.890 1.00 74.20 H new ATOM 0 HD2 TYR A 3 0.834 -0.866 -6.794 1.00 11.11 H new ATOM 0 HE1 TYR A 3 -3.367 1.080 -5.131 1.00 73.13 H new ATOM 0 HE2 TYR A 3 0.783 1.468 -6.032 1.00 33.51 H new ATOM 0 HH TYR A 3 -0.433 3.115 -5.206 1.00 12.52 H new ATOM 54 N THR A 4 -2.868 -5.550 -6.394 1.00 11.25 N ATOM 55 CA THR A 4 -3.163 -6.870 -6.937 1.00 4.25 C ATOM 56 C THR A 4 -3.699 -6.772 -8.360 1.00 42.41 C ATOM 57 O THR A 4 -4.623 -6.007 -8.634 1.00 63.15 O ATOM 58 CB THR A 4 -4.187 -7.620 -6.065 1.00 32.12 C ATOM 59 OG1 THR A 4 -4.461 -8.907 -6.629 1.00 21.53 O ATOM 60 CG2 THR A 4 -5.480 -6.827 -5.946 1.00 72.42 C ATOM 0 H THR A 4 -3.686 -5.036 -6.066 1.00 11.25 H new ATOM 0 HA THR A 4 -2.225 -7.426 -6.943 1.00 4.25 H new ATOM 0 HB THR A 4 -3.762 -7.743 -5.069 1.00 32.12 H new ATOM 0 HG1 THR A 4 -5.112 -9.378 -6.068 1.00 21.53 H new ATOM 0 HG21 THR A 4 -6.188 -7.376 -5.326 1.00 72.42 H new ATOM 0 HG22 THR A 4 -5.273 -5.859 -5.490 1.00 72.42 H new ATOM 0 HG23 THR A 4 -5.907 -6.676 -6.937 1.00 72.42 H new ATOM 68 N GLY A 5 -3.113 -7.552 -9.264 1.00 1.24 N ATOM 69 CA GLY A 5 -3.546 -7.538 -10.649 1.00 11.54 C ATOM 70 C GLY A 5 -3.601 -8.926 -11.253 1.00 70.42 C ATOM 71 O GLY A 5 -2.987 -9.861 -10.738 1.00 62.03 O ATOM 0 H GLY A 5 -2.346 -8.193 -9.061 1.00 1.24 H new ATOM 0 HA2 GLY A 5 -4.532 -7.078 -10.714 1.00 11.54 H new ATOM 0 HA3 GLY A 5 -2.866 -6.918 -11.233 1.00 11.54 H new ATOM 75 N LYS A 6 -4.340 -9.064 -12.349 1.00 32.23 N ATOM 76 CA LYS A 6 -4.474 -10.349 -13.025 1.00 55.10 C ATOM 77 C LYS A 6 -3.885 -10.288 -14.430 1.00 62.25 C ATOM 78 O LYS A 6 -3.942 -9.253 -15.094 1.00 44.34 O ATOM 79 CB LYS A 6 -5.947 -10.760 -13.096 1.00 1.04 C ATOM 80 CG LYS A 6 -6.702 -10.543 -11.796 1.00 22.35 C ATOM 81 CD LYS A 6 -8.072 -11.200 -11.830 1.00 42.21 C ATOM 82 CE LYS A 6 -9.062 -10.380 -12.643 1.00 13.03 C ATOM 83 NZ LYS A 6 -10.236 -11.191 -13.069 1.00 21.51 N ATOM 0 H LYS A 6 -4.855 -8.301 -12.788 1.00 32.23 H new ATOM 0 HA LYS A 6 -3.922 -11.093 -12.450 1.00 55.10 H new ATOM 0 HB2 LYS A 6 -6.436 -10.194 -13.889 1.00 1.04 H new ATOM 0 HB3 LYS A 6 -6.009 -11.813 -13.371 1.00 1.04 H new ATOM 0 HG2 LYS A 6 -6.123 -10.949 -10.966 1.00 22.35 H new ATOM 0 HG3 LYS A 6 -6.814 -9.474 -11.614 1.00 22.35 H new ATOM 0 HD2 LYS A 6 -7.987 -12.199 -12.258 1.00 42.21 H new ATOM 0 HD3 LYS A 6 -8.445 -11.319 -10.813 1.00 42.21 H new ATOM 0 HE2 LYS A 6 -9.403 -9.531 -12.051 1.00 13.03 H new ATOM 0 HE3 LYS A 6 -8.562 -9.975 -13.523 1.00 13.03 H new ATOM 0 HZ1 LYS A 6 -10.887 -10.596 -13.620 1.00 21.51 H new ATOM 0 HZ2 LYS A 6 -9.914 -11.987 -13.655 1.00 21.51 H new ATOM 0 HZ3 LYS A 6 -10.728 -11.557 -12.229 1.00 21.51 H new ATOM 97 N CYS A 7 -3.320 -11.404 -14.879 1.00 31.30 N ATOM 98 CA CYS A 7 -2.721 -11.479 -16.206 1.00 2.11 C ATOM 99 C CYS A 7 -3.279 -12.664 -16.989 1.00 52.51 C ATOM 100 O CYS A 7 -3.912 -13.555 -16.422 1.00 53.22 O ATOM 101 CB CYS A 7 -1.200 -11.598 -16.095 1.00 45.14 C ATOM 102 SG CYS A 7 -0.602 -13.304 -15.869 1.00 3.21 S ATOM 0 H CYS A 7 -3.265 -12.270 -14.342 1.00 31.30 H new ATOM 0 HA CYS A 7 -2.969 -10.563 -16.742 1.00 2.11 H new ATOM 0 HB2 CYS A 7 -0.747 -11.182 -16.995 1.00 45.14 H new ATOM 0 HB3 CYS A 7 -0.859 -10.991 -15.256 1.00 45.14 H new ATOM 107 N THR A 8 -3.040 -12.667 -18.297 1.00 10.01 N ATOM 108 CA THR A 8 -3.519 -13.740 -19.159 1.00 21.33 C ATOM 109 C THR A 8 -2.358 -14.549 -19.726 1.00 31.53 C ATOM 110 O THR A 8 -1.264 -14.024 -19.934 1.00 32.14 O ATOM 111 CB THR A 8 -4.364 -13.191 -20.323 1.00 52.13 C ATOM 112 OG1 THR A 8 -4.505 -11.771 -20.199 1.00 62.35 O ATOM 113 CG2 THR A 8 -5.739 -13.842 -20.348 1.00 50.40 C ATOM 0 H THR A 8 -2.517 -11.938 -18.782 1.00 10.01 H new ATOM 0 HA THR A 8 -4.142 -14.387 -18.542 1.00 21.33 H new ATOM 0 HB THR A 8 -3.852 -13.425 -21.256 1.00 52.13 H new ATOM 0 HG1 THR A 8 -5.042 -11.429 -20.944 1.00 62.35 H new ATOM 0 HG21 THR A 8 -6.318 -13.438 -21.179 1.00 50.40 H new ATOM 0 HG22 THR A 8 -5.629 -14.919 -20.472 1.00 50.40 H new ATOM 0 HG23 THR A 8 -6.256 -13.635 -19.411 1.00 50.40 H new ATOM 121 N LYS A 9 -2.603 -15.831 -19.975 1.00 62.42 N ATOM 122 CA LYS A 9 -1.579 -16.714 -20.521 1.00 24.23 C ATOM 123 C LYS A 9 -1.378 -16.459 -22.011 1.00 44.10 C ATOM 124 O LYS A 9 -0.316 -16.749 -22.563 1.00 32.34 O ATOM 125 CB LYS A 9 -1.962 -18.178 -20.290 1.00 52.34 C ATOM 126 CG LYS A 9 -2.994 -18.699 -21.276 1.00 45.44 C ATOM 127 CD LYS A 9 -3.770 -19.873 -20.703 1.00 44.54 C ATOM 128 CE LYS A 9 -2.865 -21.068 -20.449 1.00 25.10 C ATOM 129 NZ LYS A 9 -3.086 -22.153 -21.444 1.00 73.52 N ATOM 0 H LYS A 9 -3.502 -16.282 -19.807 1.00 62.42 H new ATOM 0 HA LYS A 9 -0.642 -16.504 -20.005 1.00 24.23 H new ATOM 0 HB2 LYS A 9 -1.065 -18.794 -20.356 1.00 52.34 H new ATOM 0 HB3 LYS A 9 -2.351 -18.288 -19.278 1.00 52.34 H new ATOM 0 HG2 LYS A 9 -3.685 -17.898 -21.538 1.00 45.44 H new ATOM 0 HG3 LYS A 9 -2.497 -19.005 -22.197 1.00 45.44 H new ATOM 0 HD2 LYS A 9 -4.249 -19.574 -19.771 1.00 44.54 H new ATOM 0 HD3 LYS A 9 -4.564 -20.157 -21.393 1.00 44.54 H new ATOM 0 HE2 LYS A 9 -1.823 -20.749 -20.485 1.00 25.10 H new ATOM 0 HE3 LYS A 9 -3.046 -21.453 -19.446 1.00 25.10 H new ATOM 0 HZ1 LYS A 9 -2.450 -22.949 -21.236 1.00 73.52 H new ATOM 0 HZ2 LYS A 9 -4.073 -22.476 -21.392 1.00 73.52 H new ATOM 0 HZ3 LYS A 9 -2.889 -21.793 -22.400 1.00 73.52 H new ATOM 143 N SER A 10 -2.403 -15.913 -22.657 1.00 11.22 N ATOM 144 CA SER A 10 -2.339 -15.620 -24.084 1.00 74.40 C ATOM 145 C SER A 10 -1.651 -14.282 -24.334 1.00 62.11 C ATOM 146 O SER A 10 -0.771 -14.173 -25.188 1.00 42.03 O ATOM 147 CB SER A 10 -3.746 -15.604 -24.686 1.00 2.51 C ATOM 148 OG SER A 10 -4.681 -16.216 -23.815 1.00 23.02 O ATOM 0 H SER A 10 -3.288 -15.664 -22.215 1.00 11.22 H new ATOM 0 HA SER A 10 -1.754 -16.404 -24.565 1.00 74.40 H new ATOM 0 HB2 SER A 10 -4.048 -14.576 -24.884 1.00 2.51 H new ATOM 0 HB3 SER A 10 -3.741 -16.125 -25.643 1.00 2.51 H new ATOM 0 HG SER A 10 -5.572 -16.191 -24.222 1.00 23.02 H new ATOM 154 N LYS A 11 -2.058 -13.265 -23.583 1.00 11.14 N ATOM 155 CA LYS A 11 -1.481 -11.933 -23.720 1.00 14.33 C ATOM 156 C LYS A 11 -0.244 -11.783 -22.841 1.00 2.51 C ATOM 157 O LYS A 11 0.542 -10.852 -23.014 1.00 1.04 O ATOM 158 CB LYS A 11 -2.515 -10.867 -23.350 1.00 11.53 C ATOM 159 CG LYS A 11 -3.137 -10.179 -24.553 1.00 31.02 C ATOM 160 CD LYS A 11 -3.559 -8.757 -24.226 1.00 14.54 C ATOM 161 CE LYS A 11 -4.985 -8.706 -23.699 1.00 55.31 C ATOM 162 NZ LYS A 11 -5.037 -8.260 -22.279 1.00 21.30 N ATOM 0 H LYS A 11 -2.786 -13.338 -22.872 1.00 11.14 H new ATOM 0 HA LYS A 11 -1.184 -11.798 -24.760 1.00 14.33 H new ATOM 0 HB2 LYS A 11 -3.305 -11.329 -22.758 1.00 11.53 H new ATOM 0 HB3 LYS A 11 -2.040 -10.116 -22.718 1.00 11.53 H new ATOM 0 HG2 LYS A 11 -2.423 -10.167 -25.376 1.00 31.02 H new ATOM 0 HG3 LYS A 11 -4.003 -10.748 -24.891 1.00 31.02 H new ATOM 0 HD2 LYS A 11 -2.880 -8.337 -23.484 1.00 14.54 H new ATOM 0 HD3 LYS A 11 -3.478 -8.138 -25.119 1.00 14.54 H new ATOM 0 HE2 LYS A 11 -5.575 -8.027 -24.314 1.00 55.31 H new ATOM 0 HE3 LYS A 11 -5.440 -9.693 -23.786 1.00 55.31 H new ATOM 0 HZ1 LYS A 11 -6.026 -8.239 -21.958 1.00 21.30 H new ATOM 0 HZ2 LYS A 11 -4.495 -8.922 -21.687 1.00 21.30 H new ATOM 0 HZ3 LYS A 11 -4.626 -7.308 -22.199 1.00 21.30 H new ATOM 176 N ASN A 12 -0.077 -12.705 -21.899 1.00 64.42 N ATOM 177 CA ASN A 12 1.067 -12.676 -20.994 1.00 55.41 C ATOM 178 C ASN A 12 1.250 -11.284 -20.395 1.00 72.40 C ATOM 179 O ASN A 12 2.373 -10.853 -20.135 1.00 73.35 O ATOM 180 CB ASN A 12 2.339 -13.097 -21.732 1.00 31.00 C ATOM 181 CG ASN A 12 3.119 -14.158 -20.980 1.00 11.02 C ATOM 182 OD1 ASN A 12 2.610 -15.247 -20.715 1.00 30.15 O ATOM 183 ND2 ASN A 12 4.361 -13.843 -20.632 1.00 63.51 N ATOM 0 H ASN A 12 -0.719 -13.482 -21.742 1.00 64.42 H new ATOM 0 HA ASN A 12 0.876 -13.380 -20.184 1.00 55.41 H new ATOM 0 HB2 ASN A 12 2.075 -13.476 -22.719 1.00 31.00 H new ATOM 0 HB3 ASN A 12 2.973 -12.224 -21.885 1.00 31.00 H new ATOM 0 HD21 ASN A 12 4.935 -14.516 -20.124 1.00 63.51 H new ATOM 0 HD22 ASN A 12 4.742 -12.928 -20.873 1.00 63.51 H new ATOM 190 N GLU A 13 0.138 -10.588 -20.178 1.00 22.30 N ATOM 191 CA GLU A 13 0.177 -9.246 -19.610 1.00 21.04 C ATOM 192 C GLU A 13 -0.739 -9.143 -18.393 1.00 62.44 C ATOM 193 O GLU A 13 -1.859 -9.656 -18.400 1.00 45.11 O ATOM 194 CB GLU A 13 -0.233 -8.211 -20.660 1.00 34.54 C ATOM 195 CG GLU A 13 -0.541 -6.842 -20.077 1.00 71.22 C ATOM 196 CD GLU A 13 -0.262 -5.717 -21.054 1.00 55.43 C ATOM 197 OE1 GLU A 13 0.892 -5.243 -21.099 1.00 43.00 O ATOM 198 OE2 GLU A 13 -1.198 -5.309 -21.774 1.00 33.33 O ATOM 0 H GLU A 13 -0.800 -10.931 -20.387 1.00 22.30 H new ATOM 0 HA GLU A 13 1.200 -9.044 -19.292 1.00 21.04 H new ATOM 0 HB2 GLU A 13 0.568 -8.113 -21.393 1.00 34.54 H new ATOM 0 HB3 GLU A 13 -1.111 -8.575 -21.194 1.00 34.54 H new ATOM 0 HG2 GLU A 13 -1.588 -6.806 -19.777 1.00 71.22 H new ATOM 0 HG3 GLU A 13 0.054 -6.692 -19.176 1.00 71.22 H new ATOM 205 N CYS A 14 -0.255 -8.478 -17.350 1.00 24.20 N ATOM 206 CA CYS A 14 -1.027 -8.308 -16.125 1.00 72.24 C ATOM 207 C CYS A 14 -1.722 -6.950 -16.105 1.00 12.21 C ATOM 208 O CYS A 14 -1.383 -6.054 -16.879 1.00 74.52 O ATOM 209 CB CYS A 14 -0.120 -8.447 -14.902 1.00 23.54 C ATOM 210 SG CYS A 14 -0.979 -9.018 -13.400 1.00 1.42 S ATOM 0 H CYS A 14 0.669 -8.047 -17.328 1.00 24.20 H new ATOM 0 HA CYS A 14 -1.789 -9.087 -16.094 1.00 72.24 H new ATOM 0 HB2 CYS A 14 0.683 -9.146 -15.136 1.00 23.54 H new ATOM 0 HB3 CYS A 14 0.346 -7.483 -14.697 1.00 23.54 H new ATOM 215 N LYS A 15 -2.696 -6.803 -15.213 1.00 74.43 N ATOM 216 CA LYS A 15 -3.439 -5.555 -15.089 1.00 53.11 C ATOM 217 C LYS A 15 -3.839 -5.301 -13.639 1.00 23.40 C ATOM 218 O LYS A 15 -4.461 -6.150 -12.999 1.00 3.30 O ATOM 219 CB LYS A 15 -4.687 -5.590 -15.974 1.00 52.23 C ATOM 220 CG LYS A 15 -5.729 -6.597 -15.518 1.00 65.11 C ATOM 221 CD LYS A 15 -6.804 -5.941 -14.668 1.00 24.32 C ATOM 222 CE LYS A 15 -7.281 -6.869 -13.561 1.00 13.42 C ATOM 223 NZ LYS A 15 -8.767 -6.911 -13.475 1.00 74.05 N ATOM 0 H LYS A 15 -2.989 -7.534 -14.565 1.00 74.43 H new ATOM 0 HA LYS A 15 -2.791 -4.742 -15.417 1.00 53.11 H new ATOM 0 HB2 LYS A 15 -5.137 -4.597 -15.992 1.00 52.23 H new ATOM 0 HB3 LYS A 15 -4.391 -5.824 -16.996 1.00 52.23 H new ATOM 0 HG2 LYS A 15 -6.188 -7.066 -16.388 1.00 65.11 H new ATOM 0 HG3 LYS A 15 -5.245 -7.389 -14.947 1.00 65.11 H new ATOM 0 HD2 LYS A 15 -6.414 -5.022 -14.231 1.00 24.32 H new ATOM 0 HD3 LYS A 15 -7.648 -5.661 -15.299 1.00 24.32 H new ATOM 0 HE2 LYS A 15 -6.899 -7.874 -13.740 1.00 13.42 H new ATOM 0 HE3 LYS A 15 -6.871 -6.537 -12.607 1.00 13.42 H new ATOM 0 HZ1 LYS A 15 -9.051 -7.486 -12.657 1.00 74.05 H new ATOM 0 HZ2 LYS A 15 -9.136 -5.945 -13.364 1.00 74.05 H new ATOM 0 HZ3 LYS A 15 -9.153 -7.331 -14.344 1.00 74.05 H new ATOM 237 N TYR A 16 -3.479 -4.130 -13.127 1.00 41.43 N ATOM 238 CA TYR A 16 -3.799 -3.765 -11.752 1.00 71.23 C ATOM 239 C TYR A 16 -4.260 -2.313 -11.667 1.00 20.43 C ATOM 240 O TYR A 16 -4.055 -1.528 -12.593 1.00 24.24 O ATOM 241 CB TYR A 16 -2.583 -3.980 -10.849 1.00 74.23 C ATOM 242 CG TYR A 16 -1.409 -3.092 -11.193 1.00 51.00 C ATOM 243 CD1 TYR A 16 -0.555 -3.411 -12.241 1.00 43.11 C ATOM 244 CD2 TYR A 16 -1.155 -1.933 -10.470 1.00 3.10 C ATOM 245 CE1 TYR A 16 0.520 -2.603 -12.558 1.00 12.40 C ATOM 246 CE2 TYR A 16 -0.083 -1.118 -10.781 1.00 15.23 C ATOM 247 CZ TYR A 16 0.751 -1.457 -11.825 1.00 61.22 C ATOM 248 OH TYR A 16 1.820 -0.649 -12.139 1.00 15.44 O ATOM 0 H TYR A 16 -2.965 -3.416 -13.644 1.00 41.43 H new ATOM 0 HA TYR A 16 -4.613 -4.406 -11.413 1.00 71.23 H new ATOM 0 HB2 TYR A 16 -2.873 -3.800 -9.814 1.00 74.23 H new ATOM 0 HB3 TYR A 16 -2.271 -5.022 -10.916 1.00 74.23 H new ATOM 0 HD1 TYR A 16 -0.734 -4.306 -12.818 1.00 43.11 H new ATOM 0 HD2 TYR A 16 -1.806 -1.664 -9.651 1.00 3.10 H new ATOM 0 HE1 TYR A 16 1.176 -2.867 -13.375 1.00 12.40 H new ATOM 0 HE2 TYR A 16 0.100 -0.220 -10.209 1.00 15.23 H new ATOM 0 HH TYR A 16 1.841 0.117 -11.529 1.00 15.44 H new ATOM 258 N LYS A 17 -4.884 -1.963 -10.547 1.00 52.24 N ATOM 259 CA LYS A 17 -5.374 -0.606 -10.337 1.00 3.44 C ATOM 260 C LYS A 17 -4.379 0.211 -9.518 1.00 22.42 C ATOM 261 O LYS A 17 -4.030 -0.161 -8.398 1.00 13.31 O ATOM 262 CB LYS A 17 -6.730 -0.635 -9.629 1.00 13.11 C ATOM 263 CG LYS A 17 -7.906 -0.378 -10.556 1.00 64.20 C ATOM 264 CD LYS A 17 -9.172 -0.064 -9.777 1.00 40.02 C ATOM 265 CE LYS A 17 -9.676 -1.282 -9.018 1.00 52.13 C ATOM 266 NZ LYS A 17 -10.198 -2.331 -9.937 1.00 71.13 N ATOM 0 H LYS A 17 -5.062 -2.600 -9.771 1.00 52.24 H new ATOM 0 HA LYS A 17 -5.490 -0.134 -11.312 1.00 3.44 H new ATOM 0 HB2 LYS A 17 -6.860 -1.606 -9.151 1.00 13.11 H new ATOM 0 HB3 LYS A 17 -6.733 0.113 -8.836 1.00 13.11 H new ATOM 0 HG2 LYS A 17 -7.671 0.453 -11.221 1.00 64.20 H new ATOM 0 HG3 LYS A 17 -8.072 -1.252 -11.185 1.00 64.20 H new ATOM 0 HD2 LYS A 17 -8.977 0.748 -9.076 1.00 40.02 H new ATOM 0 HD3 LYS A 17 -9.945 0.285 -10.462 1.00 40.02 H new ATOM 0 HE2 LYS A 17 -8.866 -1.696 -8.417 1.00 52.13 H new ATOM 0 HE3 LYS A 17 -10.463 -0.980 -8.328 1.00 52.13 H new ATOM 0 HZ1 LYS A 17 -10.713 -3.049 -9.388 1.00 71.13 H new ATOM 0 HZ2 LYS A 17 -10.841 -1.897 -10.629 1.00 71.13 H new ATOM 0 HZ3 LYS A 17 -9.405 -2.781 -10.437 1.00 71.13 H new ATOM 280 N ASN A 18 -3.926 1.325 -10.084 1.00 74.30 N ATOM 281 CA ASN A 18 -2.972 2.194 -9.405 1.00 71.03 C ATOM 282 C ASN A 18 -3.663 3.023 -8.327 1.00 51.53 C ATOM 283 O ASN A 18 -4.874 2.921 -8.131 1.00 72.35 O ATOM 284 CB ASN A 18 -2.285 3.118 -10.413 1.00 74.34 C ATOM 285 CG ASN A 18 -3.091 4.372 -10.691 1.00 35.12 C ATOM 286 OD1 ASN A 18 -2.675 5.479 -10.349 1.00 71.05 O ATOM 287 ND2 ASN A 18 -4.252 4.203 -11.313 1.00 55.20 N ATOM 0 H ASN A 18 -4.204 1.647 -11.011 1.00 74.30 H new ATOM 0 HA ASN A 18 -2.221 1.565 -8.928 1.00 71.03 H new ATOM 0 HB2 ASN A 18 -1.302 3.398 -10.034 1.00 74.34 H new ATOM 0 HB3 ASN A 18 -2.125 2.578 -11.346 1.00 74.34 H new ATOM 0 HD21 ASN A 18 -4.839 5.010 -11.526 1.00 55.20 H new ATOM 0 HD22 ASN A 18 -4.557 3.266 -11.578 1.00 55.20 H new ATOM 294 N ASP A 19 -2.885 3.845 -7.632 1.00 10.34 N ATOM 295 CA ASP A 19 -3.422 4.694 -6.574 1.00 44.23 C ATOM 296 C ASP A 19 -4.555 5.568 -7.102 1.00 14.02 C ATOM 297 O ASP A 19 -5.534 5.822 -6.401 1.00 11.15 O ATOM 298 CB ASP A 19 -2.316 5.572 -5.985 1.00 52.03 C ATOM 299 CG ASP A 19 -1.835 6.628 -6.960 1.00 44.43 C ATOM 300 OD1 ASP A 19 -2.525 7.658 -7.108 1.00 75.21 O ATOM 301 OD2 ASP A 19 -0.767 6.425 -7.576 1.00 51.22 O ATOM 0 H ASP A 19 -1.881 3.942 -7.782 1.00 10.34 H new ATOM 0 HA ASP A 19 -3.819 4.049 -5.790 1.00 44.23 H new ATOM 0 HB2 ASP A 19 -2.684 6.057 -5.081 1.00 52.03 H new ATOM 0 HB3 ASP A 19 -1.475 4.944 -5.690 1.00 52.03 H new ATOM 306 N ALA A 20 -4.415 6.026 -8.342 1.00 31.34 N ATOM 307 CA ALA A 20 -5.428 6.870 -8.963 1.00 44.23 C ATOM 308 C ALA A 20 -6.715 6.091 -9.212 1.00 43.23 C ATOM 309 O ALA A 20 -7.759 6.674 -9.501 1.00 2.54 O ATOM 310 CB ALA A 20 -4.901 7.453 -10.266 1.00 41.51 C ATOM 0 H ALA A 20 -3.610 5.827 -8.936 1.00 31.34 H new ATOM 0 HA ALA A 20 -5.656 7.686 -8.278 1.00 44.23 H new ATOM 0 HB1 ALA A 20 -5.667 8.081 -10.720 1.00 41.51 H new ATOM 0 HB2 ALA A 20 -4.013 8.052 -10.064 1.00 41.51 H new ATOM 0 HB3 ALA A 20 -4.644 6.643 -10.949 1.00 41.51 H new ATOM 316 N GLY A 21 -6.632 4.769 -9.100 1.00 31.13 N ATOM 317 CA GLY A 21 -7.798 3.932 -9.317 1.00 25.22 C ATOM 318 C GLY A 21 -7.932 3.488 -10.760 1.00 24.31 C ATOM 319 O GLY A 21 -8.652 2.536 -11.060 1.00 75.24 O ATOM 0 H GLY A 21 -5.779 4.263 -8.863 1.00 31.13 H new ATOM 0 HA2 GLY A 21 -7.736 3.054 -8.674 1.00 25.22 H new ATOM 0 HA3 GLY A 21 -8.694 4.479 -9.024 1.00 25.22 H new ATOM 323 N LYS A 22 -7.237 4.179 -11.657 1.00 50.20 N ATOM 324 CA LYS A 22 -7.281 3.852 -13.077 1.00 52.12 C ATOM 325 C LYS A 22 -6.706 2.463 -13.334 1.00 32.33 C ATOM 326 O LYS A 22 -5.819 2.005 -12.613 1.00 35.23 O ATOM 327 CB LYS A 22 -6.505 4.894 -13.886 1.00 12.10 C ATOM 328 CG LYS A 22 -7.311 6.143 -14.201 1.00 62.42 C ATOM 329 CD LYS A 22 -6.932 7.296 -13.287 1.00 72.02 C ATOM 330 CE LYS A 22 -5.546 7.832 -13.611 1.00 51.02 C ATOM 331 NZ LYS A 22 -5.388 9.251 -13.189 1.00 3.21 N ATOM 0 H LYS A 22 -6.636 4.970 -11.425 1.00 50.20 H new ATOM 0 HA LYS A 22 -8.324 3.858 -13.393 1.00 52.12 H new ATOM 0 HB2 LYS A 22 -5.610 5.179 -13.332 1.00 12.10 H new ATOM 0 HB3 LYS A 22 -6.171 4.442 -14.820 1.00 12.10 H new ATOM 0 HG2 LYS A 22 -7.146 6.431 -15.239 1.00 62.42 H new ATOM 0 HG3 LYS A 22 -8.374 5.928 -14.095 1.00 62.42 H new ATOM 0 HD2 LYS A 22 -7.665 8.096 -13.386 1.00 72.02 H new ATOM 0 HD3 LYS A 22 -6.961 6.964 -12.249 1.00 72.02 H new ATOM 0 HE2 LYS A 22 -4.794 7.219 -13.114 1.00 51.02 H new ATOM 0 HE3 LYS A 22 -5.366 7.750 -14.683 1.00 51.02 H new ATOM 0 HZ1 LYS A 22 -4.394 9.431 -12.943 1.00 3.21 H new ATOM 0 HZ2 LYS A 22 -5.671 9.879 -13.968 1.00 3.21 H new ATOM 0 HZ3 LYS A 22 -5.989 9.436 -12.360 1.00 3.21 H new ATOM 345 N ASP A 23 -7.215 1.798 -14.365 1.00 33.00 N ATOM 346 CA ASP A 23 -6.750 0.462 -14.718 1.00 72.31 C ATOM 347 C ASP A 23 -5.440 0.530 -15.497 1.00 55.42 C ATOM 348 O ASP A 23 -5.361 1.174 -16.544 1.00 5.51 O ATOM 349 CB ASP A 23 -7.811 -0.269 -15.543 1.00 22.33 C ATOM 350 CG ASP A 23 -9.104 -0.469 -14.777 1.00 23.15 C ATOM 351 OD1 ASP A 23 -9.231 -1.502 -14.086 1.00 1.02 O ATOM 352 OD2 ASP A 23 -9.988 0.408 -14.867 1.00 21.22 O ATOM 0 H ASP A 23 -7.950 2.162 -14.971 1.00 33.00 H new ATOM 0 HA ASP A 23 -6.574 -0.090 -13.795 1.00 72.31 H new ATOM 0 HB2 ASP A 23 -8.014 0.298 -16.452 1.00 22.33 H new ATOM 0 HB3 ASP A 23 -7.422 -1.239 -15.853 1.00 22.33 H new ATOM 357 N THR A 24 -4.414 -0.137 -14.979 1.00 61.25 N ATOM 358 CA THR A 24 -3.107 -0.150 -15.625 1.00 32.33 C ATOM 359 C THR A 24 -2.701 -1.567 -16.014 1.00 45.22 C ATOM 360 O THR A 24 -2.709 -2.476 -15.184 1.00 64.23 O ATOM 361 CB THR A 24 -2.023 0.450 -14.710 1.00 21.43 C ATOM 362 OG1 THR A 24 -2.489 1.677 -14.137 1.00 61.51 O ATOM 363 CG2 THR A 24 -0.739 0.702 -15.486 1.00 21.33 C ATOM 0 H THR A 24 -4.462 -0.675 -14.114 1.00 61.25 H new ATOM 0 HA THR A 24 -3.192 0.460 -16.524 1.00 32.33 H new ATOM 0 HB THR A 24 -1.814 -0.265 -13.914 1.00 21.43 H new ATOM 0 HG1 THR A 24 -1.795 2.051 -13.555 1.00 61.51 H new ATOM 0 HG21 THR A 24 0.012 1.126 -14.819 1.00 21.33 H new ATOM 0 HG22 THR A 24 -0.371 -0.239 -15.896 1.00 21.33 H new ATOM 0 HG23 THR A 24 -0.937 1.400 -16.300 1.00 21.33 H new ATOM 371 N PHE A 25 -2.344 -1.748 -17.282 1.00 14.23 N ATOM 372 CA PHE A 25 -1.934 -3.055 -17.781 1.00 54.14 C ATOM 373 C PHE A 25 -0.450 -3.061 -18.136 1.00 11.35 C ATOM 374 O PHE A 25 0.019 -2.219 -18.902 1.00 2.34 O ATOM 375 CB PHE A 25 -2.764 -3.439 -19.008 1.00 54.22 C ATOM 376 CG PHE A 25 -2.909 -2.326 -20.006 1.00 43.15 C ATOM 377 CD1 PHE A 25 -1.969 -2.151 -21.009 1.00 42.22 C ATOM 378 CD2 PHE A 25 -3.984 -1.455 -19.942 1.00 11.43 C ATOM 379 CE1 PHE A 25 -2.099 -1.128 -21.930 1.00 2.12 C ATOM 380 CE2 PHE A 25 -4.120 -0.430 -20.860 1.00 24.34 C ATOM 381 CZ PHE A 25 -3.175 -0.266 -21.854 1.00 52.10 C ATOM 0 H PHE A 25 -2.331 -1.006 -17.982 1.00 14.23 H new ATOM 0 HA PHE A 25 -2.104 -3.787 -16.991 1.00 54.14 H new ATOM 0 HB2 PHE A 25 -2.300 -4.296 -19.496 1.00 54.22 H new ATOM 0 HB3 PHE A 25 -3.755 -3.755 -18.682 1.00 54.22 H new ATOM 0 HD1 PHE A 25 -1.125 -2.822 -21.072 1.00 42.22 H new ATOM 0 HD2 PHE A 25 -4.725 -1.578 -19.166 1.00 11.43 H new ATOM 0 HE1 PHE A 25 -1.360 -1.003 -22.708 1.00 2.12 H new ATOM 0 HE2 PHE A 25 -4.964 0.241 -20.800 1.00 24.34 H new ATOM 0 HZ PHE A 25 -3.278 0.535 -22.571 1.00 52.10 H new ATOM 391 N ILE A 26 0.283 -4.015 -17.572 1.00 34.11 N ATOM 392 CA ILE A 26 1.713 -4.131 -17.828 1.00 72.11 C ATOM 393 C ILE A 26 2.088 -5.558 -18.215 1.00 41.41 C ATOM 394 O ILE A 26 1.661 -6.519 -17.576 1.00 22.24 O ATOM 395 CB ILE A 26 2.541 -3.710 -16.600 1.00 12.23 C ATOM 396 CG1 ILE A 26 4.002 -3.486 -16.995 1.00 20.45 C ATOM 397 CG2 ILE A 26 2.437 -4.761 -15.505 1.00 60.31 C ATOM 398 CD1 ILE A 26 4.750 -2.572 -16.050 1.00 22.11 C ATOM 0 H ILE A 26 -0.090 -4.719 -16.935 1.00 34.11 H new ATOM 0 HA ILE A 26 1.941 -3.460 -18.656 1.00 72.11 H new ATOM 0 HB ILE A 26 2.141 -2.772 -16.215 1.00 12.23 H new ATOM 0 HG12 ILE A 26 4.511 -4.449 -17.035 1.00 20.45 H new ATOM 0 HG13 ILE A 26 4.038 -3.065 -18.000 1.00 20.45 H new ATOM 0 HG21 ILE A 26 3.028 -4.449 -14.644 1.00 60.31 H new ATOM 0 HG22 ILE A 26 1.394 -4.875 -15.208 1.00 60.31 H new ATOM 0 HG23 ILE A 26 2.814 -5.713 -15.878 1.00 60.31 H new ATOM 0 HD11 ILE A 26 5.779 -2.459 -16.392 1.00 22.11 H new ATOM 0 HD12 ILE A 26 4.265 -1.596 -16.028 1.00 22.11 H new ATOM 0 HD13 ILE A 26 4.746 -3.002 -15.048 1.00 22.11 H new ATOM 410 N LYS A 27 2.891 -5.688 -19.266 1.00 0.13 N ATOM 411 CA LYS A 27 3.328 -6.996 -19.738 1.00 31.42 C ATOM 412 C LYS A 27 4.210 -7.683 -18.700 1.00 12.24 C ATOM 413 O LYS A 27 4.926 -7.024 -17.945 1.00 15.22 O ATOM 414 CB LYS A 27 4.090 -6.857 -21.058 1.00 12.03 C ATOM 415 CG LYS A 27 5.526 -6.395 -20.885 1.00 2.51 C ATOM 416 CD LYS A 27 5.594 -4.962 -20.383 1.00 2.03 C ATOM 417 CE LYS A 27 4.939 -3.997 -21.359 1.00 72.42 C ATOM 418 NZ LYS A 27 5.137 -2.578 -20.954 1.00 61.12 N ATOM 0 H LYS A 27 3.252 -4.902 -19.807 1.00 0.13 H new ATOM 0 HA LYS A 27 2.442 -7.610 -19.900 1.00 31.42 H new ATOM 0 HB2 LYS A 27 4.086 -7.818 -21.573 1.00 12.03 H new ATOM 0 HB3 LYS A 27 3.564 -6.149 -21.699 1.00 12.03 H new ATOM 0 HG2 LYS A 27 6.039 -7.052 -20.183 1.00 2.51 H new ATOM 0 HG3 LYS A 27 6.052 -6.473 -21.837 1.00 2.51 H new ATOM 0 HD2 LYS A 27 5.101 -4.891 -19.414 1.00 2.03 H new ATOM 0 HD3 LYS A 27 6.635 -4.677 -20.232 1.00 2.03 H new ATOM 0 HE2 LYS A 27 5.353 -4.151 -22.355 1.00 72.42 H new ATOM 0 HE3 LYS A 27 3.872 -4.211 -21.421 1.00 72.42 H new ATOM 0 HZ1 LYS A 27 4.676 -1.952 -21.645 1.00 61.12 H new ATOM 0 HZ2 LYS A 27 4.719 -2.424 -20.014 1.00 61.12 H new ATOM 0 HZ3 LYS A 27 6.154 -2.365 -20.920 1.00 61.12 H new ATOM 432 N CYS A 28 4.155 -9.010 -18.668 1.00 33.13 N ATOM 433 CA CYS A 28 4.949 -9.786 -17.723 1.00 71.43 C ATOM 434 C CYS A 28 6.195 -10.354 -18.398 1.00 12.45 C ATOM 435 O CYS A 28 6.265 -10.484 -19.620 1.00 34.53 O ATOM 436 CB CYS A 28 4.112 -10.924 -17.135 1.00 13.44 C ATOM 437 SG CYS A 28 3.068 -10.427 -15.726 1.00 42.14 S ATOM 0 H CYS A 28 3.569 -9.571 -19.286 1.00 33.13 H new ATOM 0 HA CYS A 28 5.263 -9.121 -16.918 1.00 71.43 H new ATOM 0 HB2 CYS A 28 3.475 -11.335 -17.918 1.00 13.44 H new ATOM 0 HB3 CYS A 28 4.780 -11.724 -16.815 1.00 13.44 H new ATOM 442 N PRO A 29 7.203 -10.699 -17.583 1.00 10.10 N ATOM 443 CA PRO A 29 8.464 -11.258 -18.078 1.00 23.42 C ATOM 444 C PRO A 29 8.296 -12.670 -18.629 1.00 33.35 C ATOM 445 O PRO A 29 7.518 -13.465 -18.100 1.00 61.43 O ATOM 446 CB PRO A 29 9.358 -11.272 -16.835 1.00 71.31 C ATOM 447 CG PRO A 29 8.410 -11.336 -15.688 1.00 30.24 C ATOM 448 CD PRO A 29 7.189 -10.570 -16.116 1.00 71.41 C ATOM 0 HA PRO A 29 8.870 -10.677 -18.906 1.00 23.42 H new ATOM 0 HB2 PRO A 29 10.031 -12.129 -16.841 1.00 71.31 H new ATOM 0 HB3 PRO A 29 9.980 -10.379 -16.785 1.00 71.31 H new ATOM 0 HG2 PRO A 29 8.158 -12.369 -15.447 1.00 30.24 H new ATOM 0 HG3 PRO A 29 8.851 -10.898 -14.792 1.00 30.24 H new ATOM 0 HD2 PRO A 29 6.280 -10.989 -15.684 1.00 71.41 H new ATOM 0 HD3 PRO A 29 7.239 -9.527 -15.804 1.00 71.41 H new ATOM 456 N LYS A 30 9.029 -12.977 -19.693 1.00 44.31 N ATOM 457 CA LYS A 30 8.963 -14.294 -20.315 1.00 42.33 C ATOM 458 C LYS A 30 9.942 -15.258 -19.653 1.00 62.05 C ATOM 459 O LYS A 30 10.167 -16.364 -20.145 1.00 21.44 O ATOM 460 CB LYS A 30 9.267 -14.189 -21.812 1.00 35.23 C ATOM 461 CG LYS A 30 8.033 -13.960 -22.668 1.00 1.42 C ATOM 462 CD LYS A 30 8.405 -13.629 -24.104 1.00 15.45 C ATOM 463 CE LYS A 30 7.257 -12.948 -24.833 1.00 51.43 C ATOM 464 NZ LYS A 30 7.745 -12.021 -25.892 1.00 51.00 N ATOM 0 H LYS A 30 9.677 -12.331 -20.143 1.00 44.31 H new ATOM 0 HA LYS A 30 7.953 -14.681 -20.182 1.00 42.33 H new ATOM 0 HB2 LYS A 30 9.969 -13.371 -21.975 1.00 35.23 H new ATOM 0 HB3 LYS A 30 9.761 -15.104 -22.139 1.00 35.23 H new ATOM 0 HG2 LYS A 30 7.406 -14.851 -22.650 1.00 1.42 H new ATOM 0 HG3 LYS A 30 7.443 -13.146 -22.247 1.00 1.42 H new ATOM 0 HD2 LYS A 30 9.280 -12.980 -24.114 1.00 15.45 H new ATOM 0 HD3 LYS A 30 8.680 -14.543 -24.630 1.00 15.45 H new ATOM 0 HE2 LYS A 30 6.612 -13.704 -25.281 1.00 51.43 H new ATOM 0 HE3 LYS A 30 6.650 -12.394 -24.117 1.00 51.43 H new ATOM 0 HZ1 LYS A 30 6.933 -11.577 -26.366 1.00 51.00 H new ATOM 0 HZ2 LYS A 30 8.340 -11.285 -25.462 1.00 51.00 H new ATOM 0 HZ3 LYS A 30 8.303 -12.554 -26.589 1.00 51.00 H new ATOM 478 N PHE A 31 10.521 -14.832 -18.536 1.00 0.03 N ATOM 479 CA PHE A 31 11.476 -15.658 -17.806 1.00 73.41 C ATOM 480 C PHE A 31 10.758 -16.743 -17.008 1.00 12.32 C ATOM 481 O PHE A 31 9.649 -16.534 -16.514 1.00 64.13 O ATOM 482 CB PHE A 31 12.319 -14.793 -16.868 1.00 44.20 C ATOM 483 CG PHE A 31 13.527 -14.193 -17.530 1.00 22.33 C ATOM 484 CD1 PHE A 31 13.419 -13.030 -18.275 1.00 4.03 C ATOM 485 CD2 PHE A 31 14.770 -14.793 -17.406 1.00 42.43 C ATOM 486 CE1 PHE A 31 14.529 -12.477 -18.885 1.00 41.22 C ATOM 487 CE2 PHE A 31 15.884 -14.244 -18.014 1.00 53.32 C ATOM 488 CZ PHE A 31 15.763 -13.084 -18.754 1.00 11.32 C ATOM 0 H PHE A 31 10.346 -13.919 -18.116 1.00 0.03 H new ATOM 0 HA PHE A 31 12.132 -16.139 -18.532 1.00 73.41 H new ATOM 0 HB2 PHE A 31 11.697 -13.991 -16.469 1.00 44.20 H new ATOM 0 HB3 PHE A 31 12.642 -15.398 -16.021 1.00 44.20 H new ATOM 0 HD1 PHE A 31 12.457 -12.550 -18.380 1.00 4.03 H new ATOM 0 HD2 PHE A 31 14.870 -15.700 -16.828 1.00 42.43 H new ATOM 0 HE1 PHE A 31 14.432 -11.571 -19.464 1.00 41.22 H new ATOM 0 HE2 PHE A 31 16.847 -14.721 -17.910 1.00 53.32 H new ATOM 0 HZ PHE A 31 16.631 -12.652 -19.229 1.00 11.32 H new ATOM 498 N ASP A 32 11.398 -17.901 -16.886 1.00 55.52 N ATOM 499 CA ASP A 32 10.822 -19.018 -16.148 1.00 35.51 C ATOM 500 C ASP A 32 10.603 -18.648 -14.684 1.00 61.12 C ATOM 501 O ASP A 32 9.837 -19.300 -13.977 1.00 32.34 O ATOM 502 CB ASP A 32 11.730 -20.245 -16.246 1.00 42.24 C ATOM 503 CG ASP A 32 13.193 -19.900 -16.044 1.00 54.54 C ATOM 504 OD1 ASP A 32 13.812 -19.369 -16.989 1.00 44.44 O ATOM 505 OD2 ASP A 32 13.717 -20.161 -14.942 1.00 5.04 O ATOM 0 H ASP A 32 12.316 -18.090 -17.289 1.00 55.52 H new ATOM 0 HA ASP A 32 9.855 -19.254 -16.593 1.00 35.51 H new ATOM 0 HB2 ASP A 32 11.426 -20.979 -15.499 1.00 42.24 H new ATOM 0 HB3 ASP A 32 11.601 -20.712 -17.223 1.00 42.24 H new ATOM 510 N ASN A 33 11.283 -17.597 -14.237 1.00 62.41 N ATOM 511 CA ASN A 33 11.165 -17.141 -12.857 1.00 33.20 C ATOM 512 C ASN A 33 9.785 -16.544 -12.598 1.00 51.20 C ATOM 513 O ASN A 33 9.250 -16.644 -11.494 1.00 10.54 O ATOM 514 CB ASN A 33 12.248 -16.106 -12.545 1.00 74.13 C ATOM 515 CG ASN A 33 13.625 -16.560 -12.988 1.00 43.51 C ATOM 516 OD1 ASN A 33 14.063 -17.662 -12.660 1.00 61.53 O ATOM 517 ND2 ASN A 33 14.316 -15.708 -13.737 1.00 0.31 N ATOM 0 H ASN A 33 11.921 -17.045 -14.810 1.00 62.41 H new ATOM 0 HA ASN A 33 11.297 -18.003 -12.203 1.00 33.20 H new ATOM 0 HB2 ASN A 33 12.002 -15.166 -13.039 1.00 74.13 H new ATOM 0 HB3 ASN A 33 12.261 -15.909 -11.473 1.00 74.13 H new ATOM 0 HD21 ASN A 33 15.249 -15.957 -14.064 1.00 0.31 H new ATOM 0 HD22 ASN A 33 13.913 -14.804 -13.985 1.00 0.31 H new ATOM 524 N LYS A 34 9.213 -15.923 -13.624 1.00 41.12 N ATOM 525 CA LYS A 34 7.895 -15.311 -13.510 1.00 52.53 C ATOM 526 C LYS A 34 7.235 -15.180 -14.880 1.00 5.34 C ATOM 527 O LYS A 34 7.800 -14.584 -15.798 1.00 32.33 O ATOM 528 CB LYS A 34 8.005 -13.934 -12.852 1.00 14.53 C ATOM 529 CG LYS A 34 8.109 -13.990 -11.337 1.00 73.14 C ATOM 530 CD LYS A 34 9.540 -13.786 -10.869 1.00 32.41 C ATOM 531 CE LYS A 34 9.835 -12.318 -10.602 1.00 63.40 C ATOM 532 NZ LYS A 34 11.282 -12.083 -10.336 1.00 75.15 N ATOM 0 H LYS A 34 9.642 -15.830 -14.545 1.00 41.12 H new ATOM 0 HA LYS A 34 7.275 -15.956 -12.888 1.00 52.53 H new ATOM 0 HB2 LYS A 34 8.880 -13.420 -13.249 1.00 14.53 H new ATOM 0 HB3 LYS A 34 7.134 -13.339 -13.126 1.00 14.53 H new ATOM 0 HG2 LYS A 34 7.469 -13.224 -10.899 1.00 73.14 H new ATOM 0 HG3 LYS A 34 7.743 -14.953 -10.981 1.00 73.14 H new ATOM 0 HD2 LYS A 34 9.713 -14.364 -9.961 1.00 32.41 H new ATOM 0 HD3 LYS A 34 10.229 -14.165 -11.624 1.00 32.41 H new ATOM 0 HE2 LYS A 34 9.522 -11.723 -11.460 1.00 63.40 H new ATOM 0 HE3 LYS A 34 9.249 -11.979 -9.748 1.00 63.40 H new ATOM 0 HZ1 LYS A 34 11.442 -11.071 -10.159 1.00 75.15 H new ATOM 0 HZ2 LYS A 34 11.575 -12.631 -9.502 1.00 75.15 H new ATOM 0 HZ3 LYS A 34 11.840 -12.383 -11.161 1.00 75.15 H new ATOM 546 N LYS A 35 6.037 -15.739 -15.010 1.00 1.50 N ATOM 547 CA LYS A 35 5.299 -15.682 -16.266 1.00 73.40 C ATOM 548 C LYS A 35 3.844 -16.092 -16.061 1.00 31.23 C ATOM 549 O LYS A 35 3.442 -16.460 -14.956 1.00 72.05 O ATOM 550 CB LYS A 35 5.954 -16.592 -17.308 1.00 31.24 C ATOM 551 CG LYS A 35 5.840 -18.071 -16.981 1.00 75.23 C ATOM 552 CD LYS A 35 6.026 -18.932 -18.220 1.00 2.42 C ATOM 553 CE LYS A 35 7.237 -19.842 -18.088 1.00 63.34 C ATOM 554 NZ LYS A 35 6.871 -21.175 -17.535 1.00 23.50 N ATOM 0 H LYS A 35 5.556 -16.237 -14.261 1.00 1.50 H new ATOM 0 HA LYS A 35 5.321 -14.653 -16.625 1.00 73.40 H new ATOM 0 HB2 LYS A 35 5.496 -16.407 -18.279 1.00 31.24 H new ATOM 0 HB3 LYS A 35 7.008 -16.328 -17.397 1.00 31.24 H new ATOM 0 HG2 LYS A 35 6.589 -18.338 -16.235 1.00 75.23 H new ATOM 0 HG3 LYS A 35 4.864 -18.273 -16.540 1.00 75.23 H new ATOM 0 HD2 LYS A 35 5.133 -19.535 -18.383 1.00 2.42 H new ATOM 0 HD3 LYS A 35 6.143 -18.292 -19.095 1.00 2.42 H new ATOM 0 HE2 LYS A 35 7.704 -19.970 -19.065 1.00 63.34 H new ATOM 0 HE3 LYS A 35 7.977 -19.371 -17.441 1.00 63.34 H new ATOM 0 HZ1 LYS A 35 7.724 -21.766 -17.460 1.00 23.50 H new ATOM 0 HZ2 LYS A 35 6.449 -21.056 -16.592 1.00 23.50 H new ATOM 0 HZ3 LYS A 35 6.184 -21.636 -18.166 1.00 23.50 H new ATOM 568 N CYS A 36 3.059 -16.028 -17.131 1.00 41.11 N ATOM 569 CA CYS A 36 1.649 -16.393 -17.069 1.00 61.12 C ATOM 570 C CYS A 36 1.433 -17.815 -17.579 1.00 32.24 C ATOM 571 O CYS A 36 1.708 -18.120 -18.740 1.00 34.03 O ATOM 572 CB CYS A 36 0.810 -15.412 -17.891 1.00 22.33 C ATOM 573 SG CYS A 36 0.779 -13.718 -17.221 1.00 35.52 S ATOM 0 H CYS A 36 3.376 -15.726 -18.052 1.00 41.11 H new ATOM 0 HA CYS A 36 1.333 -16.347 -16.027 1.00 61.12 H new ATOM 0 HB2 CYS A 36 1.199 -15.382 -18.909 1.00 22.33 H new ATOM 0 HB3 CYS A 36 -0.212 -15.786 -17.951 1.00 22.33 H new ATOM 578 N THR A 37 0.938 -18.683 -16.702 1.00 33.24 N ATOM 579 CA THR A 37 0.685 -20.073 -17.061 1.00 11.21 C ATOM 580 C THR A 37 -0.779 -20.288 -17.428 1.00 63.23 C ATOM 581 O THR A 37 -1.109 -21.183 -18.207 1.00 52.53 O ATOM 582 CB THR A 37 1.060 -21.027 -15.912 1.00 32.35 C ATOM 583 OG1 THR A 37 0.698 -22.370 -16.252 1.00 73.22 O ATOM 584 CG2 THR A 37 0.364 -20.621 -14.622 1.00 14.35 C ATOM 0 H THR A 37 0.704 -18.448 -15.737 1.00 33.24 H new ATOM 0 HA THR A 37 1.310 -20.295 -17.926 1.00 11.21 H new ATOM 0 HB THR A 37 2.138 -20.969 -15.759 1.00 32.35 H new ATOM 0 HG1 THR A 37 0.941 -22.970 -15.517 1.00 73.22 H new ATOM 0 HG21 THR A 37 0.644 -21.310 -13.825 1.00 14.35 H new ATOM 0 HG22 THR A 37 0.664 -19.609 -14.350 1.00 14.35 H new ATOM 0 HG23 THR A 37 -0.716 -20.653 -14.766 1.00 14.35 H new ATOM 592 N LYS A 38 -1.653 -19.463 -16.863 1.00 53.34 N ATOM 593 CA LYS A 38 -3.083 -19.561 -17.133 1.00 0.23 C ATOM 594 C LYS A 38 -3.734 -18.181 -17.127 1.00 64.24 C ATOM 595 O LYS A 38 -3.144 -17.208 -16.657 1.00 20.33 O ATOM 596 CB LYS A 38 -3.758 -20.459 -16.094 1.00 11.24 C ATOM 597 CG LYS A 38 -4.411 -21.694 -16.689 1.00 61.14 C ATOM 598 CD LYS A 38 -3.643 -22.956 -16.335 1.00 20.51 C ATOM 599 CE LYS A 38 -4.193 -23.608 -15.075 1.00 61.35 C ATOM 600 NZ LYS A 38 -3.355 -23.305 -13.883 1.00 2.34 N ATOM 0 H LYS A 38 -1.397 -18.718 -16.215 1.00 53.34 H new ATOM 0 HA LYS A 38 -3.211 -20.000 -18.123 1.00 0.23 H new ATOM 0 HB2 LYS A 38 -3.016 -20.769 -15.358 1.00 11.24 H new ATOM 0 HB3 LYS A 38 -4.513 -19.880 -15.561 1.00 11.24 H new ATOM 0 HG2 LYS A 38 -5.435 -21.776 -16.325 1.00 61.14 H new ATOM 0 HG3 LYS A 38 -4.465 -21.592 -17.773 1.00 61.14 H new ATOM 0 HD2 LYS A 38 -3.698 -23.661 -17.164 1.00 20.51 H new ATOM 0 HD3 LYS A 38 -2.590 -22.714 -16.191 1.00 20.51 H new ATOM 0 HE2 LYS A 38 -5.211 -23.260 -14.901 1.00 61.35 H new ATOM 0 HE3 LYS A 38 -4.245 -24.687 -15.218 1.00 61.35 H new ATOM 0 HZ1 LYS A 38 -3.763 -23.767 -13.045 1.00 2.34 H new ATOM 0 HZ2 LYS A 38 -2.390 -23.659 -14.038 1.00 2.34 H new ATOM 0 HZ3 LYS A 38 -3.326 -22.277 -13.731 1.00 2.34 H new ATOM 614 N ASP A 39 -4.952 -18.105 -17.652 1.00 4.31 N ATOM 615 CA ASP A 39 -5.683 -16.844 -17.705 1.00 74.31 C ATOM 616 C ASP A 39 -6.263 -16.494 -16.338 1.00 23.20 C ATOM 617 O ASP A 39 -6.413 -17.360 -15.477 1.00 0.43 O ATOM 618 CB ASP A 39 -6.804 -16.924 -18.743 1.00 34.35 C ATOM 619 CG ASP A 39 -7.932 -17.840 -18.307 1.00 43.14 C ATOM 620 OD1 ASP A 39 -7.638 -18.955 -17.829 1.00 74.32 O ATOM 621 OD2 ASP A 39 -9.107 -17.441 -18.446 1.00 33.30 O ATOM 0 H ASP A 39 -5.454 -18.901 -18.047 1.00 4.31 H new ATOM 0 HA ASP A 39 -4.985 -16.059 -17.995 1.00 74.31 H new ATOM 0 HB2 ASP A 39 -7.200 -15.925 -18.923 1.00 34.35 H new ATOM 0 HB3 ASP A 39 -6.395 -17.280 -19.689 1.00 34.35 H new ATOM 626 N ASN A 40 -6.585 -15.219 -16.146 1.00 61.15 N ATOM 627 CA ASN A 40 -7.146 -14.754 -14.883 1.00 72.02 C ATOM 628 C ASN A 40 -6.148 -14.938 -13.744 1.00 51.21 C ATOM 629 O ASN A 40 -6.522 -14.939 -12.572 1.00 60.41 O ATOM 630 CB ASN A 40 -8.441 -15.507 -14.569 1.00 4.45 C ATOM 631 CG ASN A 40 -9.453 -14.639 -13.847 1.00 12.43 C ATOM 632 OD1 ASN A 40 -10.464 -14.236 -14.422 1.00 51.52 O ATOM 633 ND2 ASN A 40 -9.185 -14.346 -12.579 1.00 71.34 N ATOM 0 H ASN A 40 -6.467 -14.489 -16.849 1.00 61.15 H new ATOM 0 HA ASN A 40 -7.366 -13.691 -14.981 1.00 72.02 H new ATOM 0 HB2 ASN A 40 -8.878 -15.875 -15.497 1.00 4.45 H new ATOM 0 HB3 ASN A 40 -8.212 -16.379 -13.957 1.00 4.45 H new ATOM 0 HD21 ASN A 40 -9.830 -13.765 -12.043 1.00 71.34 H new ATOM 0 HD22 ASN A 40 -8.335 -14.702 -12.142 1.00 71.34 H new ATOM 640 N ASN A 41 -4.876 -15.092 -14.098 1.00 53.10 N ATOM 641 CA ASN A 41 -3.824 -15.276 -13.106 1.00 23.44 C ATOM 642 C ASN A 41 -3.766 -14.091 -12.147 1.00 40.10 C ATOM 643 O ASN A 41 -4.637 -13.220 -12.165 1.00 24.51 O ATOM 644 CB ASN A 41 -2.470 -15.456 -13.795 1.00 44.41 C ATOM 645 CG ASN A 41 -1.839 -16.800 -13.490 1.00 21.51 C ATOM 646 OD1 ASN A 41 -1.878 -17.273 -12.354 1.00 23.41 O ATOM 647 ND2 ASN A 41 -1.253 -17.423 -14.506 1.00 73.31 N ATOM 0 H ASN A 41 -4.549 -15.093 -15.064 1.00 53.10 H new ATOM 0 HA ASN A 41 -4.054 -16.174 -12.532 1.00 23.44 H new ATOM 0 HB2 ASN A 41 -2.598 -15.354 -14.873 1.00 44.41 H new ATOM 0 HB3 ASN A 41 -1.796 -14.661 -13.477 1.00 44.41 H new ATOM 0 HD21 ASN A 41 -0.811 -18.331 -14.361 1.00 73.31 H new ATOM 0 HD22 ASN A 41 -1.245 -16.994 -15.431 1.00 73.31 H new ATOM 654 N LYS A 42 -2.734 -14.063 -11.311 1.00 21.03 N ATOM 655 CA LYS A 42 -2.560 -12.984 -10.345 1.00 64.34 C ATOM 656 C LYS A 42 -1.092 -12.582 -10.238 1.00 71.00 C ATOM 657 O LYS A 42 -0.198 -13.421 -10.350 1.00 20.34 O ATOM 658 CB LYS A 42 -3.084 -13.411 -8.973 1.00 31.15 C ATOM 659 CG LYS A 42 -4.080 -12.435 -8.372 1.00 12.45 C ATOM 660 CD LYS A 42 -5.459 -12.592 -8.991 1.00 44.13 C ATOM 661 CE LYS A 42 -6.108 -13.905 -8.581 1.00 1.44 C ATOM 662 NZ LYS A 42 -7.593 -13.800 -8.540 1.00 22.03 N ATOM 0 H LYS A 42 -2.005 -14.776 -11.283 1.00 21.03 H new ATOM 0 HA LYS A 42 -3.130 -12.123 -10.693 1.00 64.34 H new ATOM 0 HB2 LYS A 42 -3.556 -14.390 -9.062 1.00 31.15 H new ATOM 0 HB3 LYS A 42 -2.242 -13.524 -8.291 1.00 31.15 H new ATOM 0 HG2 LYS A 42 -4.143 -12.595 -7.296 1.00 12.45 H new ATOM 0 HG3 LYS A 42 -3.727 -11.415 -8.522 1.00 12.45 H new ATOM 0 HD2 LYS A 42 -6.093 -11.760 -8.685 1.00 44.13 H new ATOM 0 HD3 LYS A 42 -5.379 -12.548 -10.077 1.00 44.13 H new ATOM 0 HE2 LYS A 42 -5.818 -14.688 -9.282 1.00 1.44 H new ATOM 0 HE3 LYS A 42 -5.738 -14.203 -7.600 1.00 1.44 H new ATOM 0 HZ1 LYS A 42 -7.998 -14.715 -8.257 1.00 22.03 H new ATOM 0 HZ2 LYS A 42 -7.871 -13.071 -7.853 1.00 22.03 H new ATOM 0 HZ3 LYS A 42 -7.949 -13.541 -9.482 1.00 22.03 H new ATOM 676 N CYS A 43 -0.851 -11.294 -10.020 1.00 10.35 N ATOM 677 CA CYS A 43 0.508 -10.780 -9.896 1.00 14.32 C ATOM 678 C CYS A 43 0.629 -9.847 -8.694 1.00 50.13 C ATOM 679 O CYS A 43 -0.350 -9.588 -7.993 1.00 24.22 O ATOM 680 CB CYS A 43 0.914 -10.041 -11.172 1.00 52.43 C ATOM 681 SG CYS A 43 0.188 -10.731 -12.694 1.00 11.40 S ATOM 0 H CYS A 43 -1.579 -10.586 -9.925 1.00 10.35 H new ATOM 0 HA CYS A 43 1.178 -11.627 -9.746 1.00 14.32 H new ATOM 0 HB2 CYS A 43 0.619 -8.995 -11.083 1.00 52.43 H new ATOM 0 HB3 CYS A 43 2.000 -10.059 -11.260 1.00 52.43 H new ATOM 686 N THR A 44 1.838 -9.344 -8.462 1.00 55.44 N ATOM 687 CA THR A 44 2.088 -8.441 -7.346 1.00 41.43 C ATOM 688 C THR A 44 3.005 -7.295 -7.761 1.00 32.33 C ATOM 689 O THR A 44 3.957 -7.491 -8.516 1.00 53.04 O ATOM 690 CB THR A 44 2.720 -9.183 -6.154 1.00 21.12 C ATOM 691 OG1 THR A 44 3.316 -10.407 -6.599 1.00 5.51 O ATOM 692 CG2 THR A 44 1.677 -9.480 -5.087 1.00 22.10 C ATOM 0 H THR A 44 2.659 -9.547 -9.032 1.00 55.44 H new ATOM 0 HA THR A 44 1.122 -8.038 -7.043 1.00 41.43 H new ATOM 0 HB THR A 44 3.488 -8.542 -5.721 1.00 21.12 H new ATOM 0 HG1 THR A 44 3.717 -10.872 -5.835 1.00 5.51 H new ATOM 0 HG21 THR A 44 2.147 -10.004 -4.255 1.00 22.10 H new ATOM 0 HG22 THR A 44 1.246 -8.545 -4.729 1.00 22.10 H new ATOM 0 HG23 THR A 44 0.890 -10.104 -5.511 1.00 22.10 H new ATOM 700 N VAL A 45 2.712 -6.099 -7.261 1.00 4.21 N ATOM 701 CA VAL A 45 3.512 -4.922 -7.578 1.00 50.51 C ATOM 702 C VAL A 45 3.682 -4.027 -6.355 1.00 61.04 C ATOM 703 O VAL A 45 2.702 -3.611 -5.736 1.00 65.34 O ATOM 704 CB VAL A 45 2.876 -4.101 -8.716 1.00 62.22 C ATOM 705 CG1 VAL A 45 3.718 -2.872 -9.024 1.00 23.52 C ATOM 706 CG2 VAL A 45 2.700 -4.962 -9.958 1.00 51.53 C ATOM 0 H VAL A 45 1.927 -5.920 -6.635 1.00 4.21 H new ATOM 0 HA VAL A 45 4.489 -5.281 -7.901 1.00 50.51 H new ATOM 0 HB VAL A 45 1.891 -3.764 -8.392 1.00 62.22 H new ATOM 0 HG11 VAL A 45 3.253 -2.305 -9.830 1.00 23.52 H new ATOM 0 HG12 VAL A 45 3.788 -2.247 -8.134 1.00 23.52 H new ATOM 0 HG13 VAL A 45 4.717 -3.183 -9.329 1.00 23.52 H new ATOM 0 HG21 VAL A 45 2.250 -4.367 -10.752 1.00 51.53 H new ATOM 0 HG22 VAL A 45 3.672 -5.330 -10.287 1.00 51.53 H new ATOM 0 HG23 VAL A 45 2.052 -5.807 -9.726 1.00 51.53 H new ATOM 716 N ASP A 46 4.932 -3.734 -6.013 1.00 32.21 N ATOM 717 CA ASP A 46 5.231 -2.887 -4.864 1.00 43.04 C ATOM 718 C ASP A 46 5.814 -1.550 -5.312 1.00 70.24 C ATOM 719 O ASP A 46 6.735 -1.504 -6.129 1.00 11.22 O ATOM 720 CB ASP A 46 6.208 -3.594 -3.923 1.00 43.44 C ATOM 721 CG ASP A 46 5.587 -3.916 -2.579 1.00 14.54 C ATOM 722 OD1 ASP A 46 5.244 -2.968 -1.841 1.00 10.32 O ATOM 723 OD2 ASP A 46 5.442 -5.115 -2.264 1.00 70.23 O ATOM 0 H ASP A 46 5.754 -4.070 -6.515 1.00 32.21 H new ATOM 0 HA ASP A 46 4.299 -2.697 -4.331 1.00 43.04 H new ATOM 0 HB2 ASP A 46 6.555 -4.516 -4.390 1.00 43.44 H new ATOM 0 HB3 ASP A 46 7.084 -2.963 -3.773 1.00 43.44 H new ATOM 728 N THR A 47 5.271 -0.463 -4.774 1.00 35.04 N ATOM 729 CA THR A 47 5.734 0.875 -5.119 1.00 63.32 C ATOM 730 C THR A 47 6.919 1.287 -4.253 1.00 33.14 C ATOM 731 O THR A 47 7.653 2.216 -4.589 1.00 52.40 O ATOM 732 CB THR A 47 4.611 1.917 -4.962 1.00 72.35 C ATOM 733 OG1 THR A 47 3.387 1.267 -4.601 1.00 0.11 O ATOM 734 CG2 THR A 47 4.414 2.698 -6.253 1.00 10.44 C ATOM 0 H THR A 47 4.509 -0.483 -4.096 1.00 35.04 H new ATOM 0 HA THR A 47 6.045 0.842 -6.163 1.00 63.32 H new ATOM 0 HB THR A 47 4.899 2.613 -4.174 1.00 72.35 H new ATOM 0 HG1 THR A 47 2.648 1.908 -4.657 1.00 0.11 H new ATOM 0 HG21 THR A 47 3.616 3.428 -6.118 1.00 10.44 H new ATOM 0 HG22 THR A 47 5.339 3.215 -6.510 1.00 10.44 H new ATOM 0 HG23 THR A 47 4.146 2.012 -7.056 1.00 10.44 H new ATOM 742 N TYR A 48 7.100 0.590 -3.136 1.00 72.04 N ATOM 743 CA TYR A 48 8.195 0.885 -2.220 1.00 40.23 C ATOM 744 C TYR A 48 9.481 0.198 -2.669 1.00 42.34 C ATOM 745 O TYR A 48 10.563 0.779 -2.605 1.00 5.54 O ATOM 746 CB TYR A 48 7.835 0.441 -0.802 1.00 31.34 C ATOM 747 CG TYR A 48 8.329 1.384 0.272 1.00 20.41 C ATOM 748 CD1 TYR A 48 7.797 2.661 0.401 1.00 33.31 C ATOM 749 CD2 TYR A 48 9.328 0.998 1.157 1.00 45.22 C ATOM 750 CE1 TYR A 48 8.245 3.526 1.380 1.00 23.01 C ATOM 751 CE2 TYR A 48 9.782 1.856 2.140 1.00 42.33 C ATOM 752 CZ TYR A 48 9.238 3.119 2.247 1.00 13.02 C ATOM 753 OH TYR A 48 9.688 3.977 3.224 1.00 0.31 O ATOM 0 H TYR A 48 6.502 -0.183 -2.844 1.00 72.04 H new ATOM 0 HA TYR A 48 8.359 1.963 -2.225 1.00 40.23 H new ATOM 0 HB2 TYR A 48 6.752 0.349 -0.723 1.00 31.34 H new ATOM 0 HB3 TYR A 48 8.252 -0.550 -0.624 1.00 31.34 H new ATOM 0 HD1 TYR A 48 7.020 2.983 -0.276 1.00 33.31 H new ATOM 0 HD2 TYR A 48 9.757 0.010 1.075 1.00 45.22 H new ATOM 0 HE1 TYR A 48 7.820 4.515 1.466 1.00 23.01 H new ATOM 0 HE2 TYR A 48 10.558 1.540 2.821 1.00 42.33 H new ATOM 0 HH TYR A 48 10.387 3.536 3.750 1.00 0.31 H new ATOM 763 N ASN A 49 9.353 -1.043 -3.126 1.00 32.42 N ATOM 764 CA ASN A 49 10.504 -1.811 -3.586 1.00 60.14 C ATOM 765 C ASN A 49 10.554 -1.855 -5.111 1.00 34.53 C ATOM 766 O ASN A 49 11.508 -2.364 -5.696 1.00 65.40 O ATOM 767 CB ASN A 49 10.452 -3.234 -3.025 1.00 44.51 C ATOM 768 CG ASN A 49 10.820 -3.288 -1.555 1.00 33.53 C ATOM 769 OD1 ASN A 49 10.936 -2.256 -0.894 1.00 22.54 O ATOM 770 ND2 ASN A 49 11.004 -4.497 -1.036 1.00 2.10 N ATOM 0 H ASN A 49 8.464 -1.538 -3.188 1.00 32.42 H new ATOM 0 HA ASN A 49 11.406 -1.318 -3.224 1.00 60.14 H new ATOM 0 HB2 ASN A 49 9.449 -3.639 -3.161 1.00 44.51 H new ATOM 0 HB3 ASN A 49 11.132 -3.870 -3.591 1.00 44.51 H new ATOM 0 HD21 ASN A 49 11.252 -4.597 -0.052 1.00 2.10 H new ATOM 0 HD22 ASN A 49 10.897 -5.325 -1.622 1.00 2.10 H new ATOM 777 N ASN A 50 9.518 -1.318 -5.747 1.00 32.01 N ATOM 778 CA ASN A 50 9.443 -1.296 -7.203 1.00 60.02 C ATOM 779 C ASN A 50 9.675 -2.689 -7.781 1.00 14.01 C ATOM 780 O ASN A 50 10.177 -2.834 -8.895 1.00 24.33 O ATOM 781 CB ASN A 50 10.472 -0.318 -7.773 1.00 4.22 C ATOM 782 CG ASN A 50 9.874 0.613 -8.810 1.00 32.50 C ATOM 783 OD1 ASN A 50 8.817 0.331 -9.376 1.00 45.33 O ATOM 784 ND2 ASN A 50 10.548 1.728 -9.064 1.00 24.13 N ATOM 0 H ASN A 50 8.719 -0.892 -5.277 1.00 32.01 H new ATOM 0 HA ASN A 50 8.443 -0.967 -7.485 1.00 60.02 H new ATOM 0 HB2 ASN A 50 10.897 0.272 -6.961 1.00 4.22 H new ATOM 0 HB3 ASN A 50 11.292 -0.879 -8.222 1.00 4.22 H new ATOM 0 HD21 ASN A 50 10.194 2.392 -9.752 1.00 24.13 H new ATOM 0 HD22 ASN A 50 11.420 1.921 -8.571 1.00 24.13 H new ATOM 791 N ALA A 51 9.304 -3.710 -7.016 1.00 33.25 N ATOM 792 CA ALA A 51 9.468 -5.091 -7.452 1.00 23.11 C ATOM 793 C ALA A 51 8.130 -5.705 -7.848 1.00 52.14 C ATOM 794 O ALA A 51 7.166 -5.666 -7.083 1.00 5.12 O ATOM 795 CB ALA A 51 10.125 -5.916 -6.355 1.00 65.45 C ATOM 0 H ALA A 51 8.888 -3.607 -6.091 1.00 33.25 H new ATOM 0 HA ALA A 51 10.113 -5.094 -8.330 1.00 23.11 H new ATOM 0 HB1 ALA A 51 10.241 -6.945 -6.694 1.00 65.45 H new ATOM 0 HB2 ALA A 51 11.104 -5.498 -6.122 1.00 65.45 H new ATOM 0 HB3 ALA A 51 9.501 -5.897 -5.462 1.00 65.45 H new ATOM 801 N VAL A 52 8.076 -6.271 -9.050 1.00 2.11 N ATOM 802 CA VAL A 52 6.855 -6.893 -9.548 1.00 25.41 C ATOM 803 C VAL A 52 7.024 -8.403 -9.683 1.00 13.42 C ATOM 804 O VAL A 52 8.099 -8.889 -10.035 1.00 54.31 O ATOM 805 CB VAL A 52 6.444 -6.310 -10.913 1.00 3.23 C ATOM 806 CG1 VAL A 52 6.430 -4.790 -10.861 1.00 54.30 C ATOM 807 CG2 VAL A 52 7.378 -6.805 -12.007 1.00 21.23 C ATOM 0 H VAL A 52 8.864 -6.311 -9.697 1.00 2.11 H new ATOM 0 HA VAL A 52 6.072 -6.681 -8.820 1.00 25.41 H new ATOM 0 HB VAL A 52 5.436 -6.652 -11.146 1.00 3.23 H new ATOM 0 HG11 VAL A 52 6.137 -4.395 -11.834 1.00 54.30 H new ATOM 0 HG12 VAL A 52 5.717 -4.458 -10.106 1.00 54.30 H new ATOM 0 HG13 VAL A 52 7.425 -4.425 -10.606 1.00 54.30 H new ATOM 0 HG21 VAL A 52 7.073 -6.383 -12.965 1.00 21.23 H new ATOM 0 HG22 VAL A 52 8.398 -6.494 -11.782 1.00 21.23 H new ATOM 0 HG23 VAL A 52 7.333 -7.893 -12.059 1.00 21.23 H new ATOM 817 N ASP A 53 5.955 -9.139 -9.401 1.00 14.13 N ATOM 818 CA ASP A 53 5.983 -10.594 -9.492 1.00 33.11 C ATOM 819 C ASP A 53 4.756 -11.116 -10.234 1.00 0.14 C ATOM 820 O ASP A 53 3.620 -10.825 -9.858 1.00 31.42 O ATOM 821 CB ASP A 53 6.051 -11.213 -8.095 1.00 13.22 C ATOM 822 CG ASP A 53 7.260 -12.110 -7.917 1.00 73.22 C ATOM 823 OD1 ASP A 53 7.153 -13.316 -8.222 1.00 34.32 O ATOM 824 OD2 ASP A 53 8.313 -11.607 -7.473 1.00 12.52 O ATOM 0 H ASP A 53 5.058 -8.752 -9.107 1.00 14.13 H new ATOM 0 HA ASP A 53 6.873 -10.881 -10.052 1.00 33.11 H new ATOM 0 HB2 ASP A 53 6.079 -10.418 -7.350 1.00 13.22 H new ATOM 0 HB3 ASP A 53 5.144 -11.790 -7.912 1.00 13.22 H new ATOM 829 N CYS A 54 4.993 -11.887 -11.290 1.00 0.23 N ATOM 830 CA CYS A 54 3.909 -12.448 -12.086 1.00 34.30 C ATOM 831 C CYS A 54 3.692 -13.921 -11.749 1.00 2.22 C ATOM 832 O CYS A 54 4.648 -14.667 -11.539 1.00 64.30 O ATOM 833 CB CYS A 54 4.211 -12.294 -13.578 1.00 32.41 C ATOM 834 SG CYS A 54 2.728 -12.236 -14.635 1.00 1.03 S ATOM 0 H CYS A 54 5.927 -12.137 -11.614 1.00 0.23 H new ATOM 0 HA CYS A 54 2.997 -11.901 -11.848 1.00 34.30 H new ATOM 0 HB2 CYS A 54 4.787 -11.381 -13.729 1.00 32.41 H new ATOM 0 HB3 CYS A 54 4.840 -13.125 -13.898 1.00 32.41 H new ATOM 839 N ASP A 55 2.430 -14.331 -11.699 1.00 53.00 N ATOM 840 CA ASP A 55 2.087 -15.714 -11.389 1.00 32.10 C ATOM 841 C ASP A 55 2.901 -16.680 -12.243 1.00 62.53 C ATOM 842 O ASP A 55 3.235 -17.782 -11.805 1.00 33.32 O ATOM 843 CB ASP A 55 0.592 -15.953 -11.610 1.00 64.32 C ATOM 844 CG ASP A 55 -0.108 -16.438 -10.356 1.00 71.52 C ATOM 845 OD1 ASP A 55 0.352 -17.440 -9.769 1.00 22.02 O ATOM 846 OD2 ASP A 55 -1.116 -15.816 -9.962 1.00 31.12 O ATOM 0 H ASP A 55 1.627 -13.725 -11.869 1.00 53.00 H new ATOM 0 HA ASP A 55 2.325 -15.895 -10.341 1.00 32.10 H new ATOM 0 HB2 ASP A 55 0.125 -15.028 -11.949 1.00 64.32 H new ATOM 0 HB3 ASP A 55 0.458 -16.687 -12.405 1.00 64.32 H new TER 851 ASP A 55