USER MOD reduce.3.24.130724 H: found=0, std=0, add=292, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 292 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 Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ -169:sc= -0.14 (180deg=-0.367) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 5 THR OG1 : rot 48:sc= -0.586 USER MOD Single : A 7 LYS NZ :NH3+ 143:sc= -0.518 (180deg=-2.22!) USER MOD Single : A 8 SER OG : rot 70:sc= 1.28 USER MOD Single : A 19 LYS NZ :NH3+ -139:sc= 1.17 (180deg=1.05) USER MOD Single : A 20 THR OG1 : rot 74:sc= 1.23 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 137:sc= -0.486 (180deg=-2.43!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 3.418 -1.004 1.237 1.00 63.11 N ATOM 2 CA LYS A 1 3.705 -0.929 -0.193 1.00 64.20 C ATOM 3 C LYS A 1 3.707 -2.333 -0.764 1.00 20.52 C ATOM 4 O LYS A 1 4.693 -3.057 -0.646 1.00 62.45 O ATOM 5 CB LYS A 1 5.063 -0.240 -0.447 1.00 11.34 C ATOM 6 CG LYS A 1 5.490 -0.072 -1.922 1.00 64.40 C ATOM 7 CD LYS A 1 4.892 1.162 -2.628 1.00 24.30 C ATOM 8 CE LYS A 1 3.387 1.102 -2.811 1.00 64.32 C ATOM 9 NZ LYS A 1 2.872 2.266 -3.558 1.00 74.22 N ATOM 0 H1 LYS A 1 3.414 -0.046 1.641 1.00 63.11 H new ATOM 0 H2 LYS A 1 2.487 -1.445 1.382 1.00 63.11 H new ATOM 0 H3 LYS A 1 4.148 -1.575 1.708 1.00 63.11 H new ATOM 0 HA LYS A 1 2.937 -0.332 -0.685 1.00 64.20 H new ATOM 0 HB2 LYS A 1 5.035 0.747 0.014 1.00 11.34 H new ATOM 0 HB3 LYS A 1 5.836 -0.811 0.068 1.00 11.34 H new ATOM 0 HG2 LYS A 1 6.577 -0.008 -1.967 1.00 64.40 H new ATOM 0 HG3 LYS A 1 5.200 -0.966 -2.474 1.00 64.40 H new ATOM 0 HD2 LYS A 1 5.142 2.053 -2.052 1.00 24.30 H new ATOM 0 HD3 LYS A 1 5.362 1.271 -3.605 1.00 24.30 H new ATOM 0 HE2 LYS A 1 3.123 0.186 -3.340 1.00 64.32 H new ATOM 0 HE3 LYS A 1 2.905 1.056 -1.834 1.00 64.32 H new ATOM 0 HZ1 LYS A 1 1.834 2.284 -3.501 1.00 74.22 H new ATOM 0 HZ2 LYS A 1 3.256 3.140 -3.147 1.00 74.22 H new ATOM 0 HZ3 LYS A 1 3.162 2.195 -4.554 1.00 74.22 H new ATOM 25 N ASP A 2 2.601 -2.731 -1.326 1.00 73.33 N ATOM 26 CA ASP A 2 2.459 -4.062 -1.871 1.00 4.04 C ATOM 27 C ASP A 2 2.149 -4.028 -3.355 1.00 1.34 C ATOM 28 O ASP A 2 1.331 -3.229 -3.813 1.00 12.05 O ATOM 29 CB ASP A 2 1.398 -4.842 -1.100 1.00 63.50 C ATOM 30 CG ASP A 2 1.028 -6.142 -1.759 1.00 63.21 C ATOM 31 OD1 ASP A 2 1.902 -7.025 -1.885 1.00 22.54 O ATOM 32 OD2 ASP A 2 -0.131 -6.285 -2.201 1.00 73.13 O ATOM 0 H ASP A 2 1.770 -2.147 -1.422 1.00 73.33 H new ATOM 0 HA ASP A 2 3.413 -4.577 -1.756 1.00 4.04 H new ATOM 0 HB2 ASP A 2 1.763 -5.043 -0.093 1.00 63.50 H new ATOM 0 HB3 ASP A 2 0.505 -4.226 -0.998 1.00 63.50 H new ATOM 37 N ILE A 3 2.793 -4.918 -4.085 1.00 72.14 N ATOM 38 CA ILE A 3 2.681 -4.999 -5.542 1.00 13.42 C ATOM 39 C ILE A 3 1.275 -5.414 -5.937 1.00 2.43 C ATOM 40 O ILE A 3 0.683 -4.853 -6.856 1.00 42.32 O ATOM 41 CB ILE A 3 3.717 -6.000 -6.196 1.00 73.12 C ATOM 42 CG1 ILE A 3 5.186 -5.593 -5.956 1.00 2.13 C ATOM 43 CG2 ILE A 3 3.480 -6.136 -7.694 1.00 63.51 C ATOM 44 CD1 ILE A 3 5.672 -5.738 -4.541 1.00 14.45 C ATOM 0 H ILE A 3 3.418 -5.617 -3.685 1.00 72.14 H new ATOM 0 HA ILE A 3 2.909 -4.002 -5.919 1.00 13.42 H new ATOM 0 HB ILE A 3 3.549 -6.958 -5.704 1.00 73.12 H new ATOM 0 HG12 ILE A 3 5.823 -6.195 -6.604 1.00 2.13 H new ATOM 0 HG13 ILE A 3 5.312 -4.554 -6.261 1.00 2.13 H new ATOM 0 HG21 ILE A 3 4.207 -6.830 -8.116 1.00 63.51 H new ATOM 0 HG22 ILE A 3 2.473 -6.514 -7.870 1.00 63.51 H new ATOM 0 HG23 ILE A 3 3.590 -5.162 -8.170 1.00 63.51 H new ATOM 0 HD11 ILE A 3 6.715 -5.426 -4.481 1.00 14.45 H new ATOM 0 HD12 ILE A 3 5.068 -5.114 -3.883 1.00 14.45 H new ATOM 0 HD13 ILE A 3 5.586 -6.780 -4.232 1.00 14.45 H new ATOM 56 N ASN A 4 0.718 -6.367 -5.217 1.00 74.41 N ATOM 57 CA ASN A 4 -0.630 -6.823 -5.524 1.00 62.30 C ATOM 58 C ASN A 4 -1.656 -5.745 -5.215 1.00 55.34 C ATOM 59 O ASN A 4 -2.674 -5.630 -5.891 1.00 41.11 O ATOM 60 CB ASN A 4 -0.984 -8.163 -4.870 1.00 10.42 C ATOM 61 CG ASN A 4 -2.441 -8.515 -5.085 1.00 22.12 C ATOM 62 OD1 ASN A 4 -3.287 -8.258 -4.224 1.00 32.14 O ATOM 63 ND2 ASN A 4 -2.758 -9.039 -6.235 1.00 74.33 N ATOM 0 H ASN A 4 1.165 -6.836 -4.429 1.00 74.41 H new ATOM 0 HA ASN A 4 -0.655 -7.012 -6.597 1.00 62.30 H new ATOM 0 HB2 ASN A 4 -0.353 -8.950 -5.284 1.00 10.42 H new ATOM 0 HB3 ASN A 4 -0.774 -8.115 -3.802 1.00 10.42 H new ATOM 0 HD21 ASN A 4 -3.733 -9.250 -6.448 1.00 74.33 H new ATOM 0 HD22 ASN A 4 -2.031 -9.238 -6.923 1.00 74.33 H new ATOM 70 N THR A 5 -1.368 -4.941 -4.224 1.00 34.41 N ATOM 71 CA THR A 5 -2.172 -3.781 -3.912 1.00 74.30 C ATOM 72 C THR A 5 -2.170 -2.829 -5.116 1.00 65.44 C ATOM 73 O THR A 5 -3.197 -2.282 -5.481 1.00 35.03 O ATOM 74 CB THR A 5 -1.601 -3.062 -2.695 1.00 52.25 C ATOM 75 OG1 THR A 5 -1.574 -3.963 -1.566 1.00 74.24 O ATOM 76 CG2 THR A 5 -2.395 -1.805 -2.340 1.00 1.05 C ATOM 0 H THR A 5 -0.567 -5.071 -3.607 1.00 34.41 H new ATOM 0 HA THR A 5 -3.191 -4.097 -3.691 1.00 74.30 H new ATOM 0 HB THR A 5 -0.588 -2.746 -2.944 1.00 52.25 H new ATOM 0 HG1 THR A 5 -1.182 -4.819 -1.840 1.00 74.24 H new ATOM 0 HG21 THR A 5 -1.950 -1.328 -1.467 1.00 1.05 H new ATOM 0 HG22 THR A 5 -2.375 -1.112 -3.181 1.00 1.05 H new ATOM 0 HG23 THR A 5 -3.427 -2.077 -2.118 1.00 1.05 H new ATOM 84 N ILE A 6 -1.023 -2.701 -5.763 1.00 73.43 N ATOM 85 CA ILE A 6 -0.898 -1.869 -6.950 1.00 61.52 C ATOM 86 C ILE A 6 -1.664 -2.504 -8.107 1.00 23.12 C ATOM 87 O ILE A 6 -2.256 -1.811 -8.944 1.00 64.21 O ATOM 88 CB ILE A 6 0.591 -1.622 -7.327 1.00 0.10 C ATOM 89 CG1 ILE A 6 1.326 -0.984 -6.144 1.00 22.44 C ATOM 90 CG2 ILE A 6 0.715 -0.740 -8.564 1.00 0.41 C ATOM 91 CD1 ILE A 6 0.651 0.267 -5.613 1.00 41.42 C ATOM 0 H ILE A 6 -0.159 -3.166 -5.484 1.00 73.43 H new ATOM 0 HA ILE A 6 -1.332 -0.893 -6.733 1.00 61.52 H new ATOM 0 HB ILE A 6 1.047 -2.584 -7.561 1.00 0.10 H new ATOM 0 HG12 ILE A 6 1.404 -1.714 -5.339 1.00 22.44 H new ATOM 0 HG13 ILE A 6 2.343 -0.737 -6.449 1.00 22.44 H new ATOM 0 HG21 ILE A 6 1.769 -0.588 -8.799 1.00 0.41 H new ATOM 0 HG22 ILE A 6 0.222 -1.224 -9.407 1.00 0.41 H new ATOM 0 HG23 ILE A 6 0.243 0.224 -8.372 1.00 0.41 H new ATOM 0 HD11 ILE A 6 1.227 0.664 -4.777 1.00 41.42 H new ATOM 0 HD12 ILE A 6 0.597 1.015 -6.404 1.00 41.42 H new ATOM 0 HD13 ILE A 6 -0.356 0.022 -5.276 1.00 41.42 H new ATOM 103 N LYS A 7 -1.725 -3.826 -8.108 1.00 31.30 N ATOM 104 CA LYS A 7 -2.502 -4.529 -9.098 1.00 24.44 C ATOM 105 C LYS A 7 -3.982 -4.294 -8.810 1.00 10.54 C ATOM 106 O LYS A 7 -4.792 -4.276 -9.712 1.00 3.51 O ATOM 107 CB LYS A 7 -2.202 -6.046 -9.086 1.00 60.00 C ATOM 108 CG LYS A 7 -0.733 -6.429 -9.310 1.00 22.34 C ATOM 109 CD LYS A 7 -0.172 -6.053 -10.697 1.00 45.12 C ATOM 110 CE LYS A 7 -0.652 -6.968 -11.852 1.00 55.00 C ATOM 111 NZ LYS A 7 -2.086 -6.812 -12.214 1.00 12.22 N ATOM 0 H LYS A 7 -1.246 -4.425 -7.435 1.00 31.30 H new ATOM 0 HA LYS A 7 -2.237 -4.150 -10.085 1.00 24.44 H new ATOM 0 HB2 LYS A 7 -2.524 -6.455 -8.129 1.00 60.00 H new ATOM 0 HB3 LYS A 7 -2.806 -6.525 -9.857 1.00 60.00 H new ATOM 0 HG2 LYS A 7 -0.125 -5.946 -8.545 1.00 22.34 H new ATOM 0 HG3 LYS A 7 -0.627 -7.505 -9.170 1.00 22.34 H new ATOM 0 HD2 LYS A 7 -0.455 -5.025 -10.923 1.00 45.12 H new ATOM 0 HD3 LYS A 7 0.917 -6.082 -10.655 1.00 45.12 H new ATOM 0 HE2 LYS A 7 -0.045 -6.765 -12.734 1.00 55.00 H new ATOM 0 HE3 LYS A 7 -0.473 -8.006 -11.573 1.00 55.00 H new ATOM 0 HZ1 LYS A 7 -2.196 -6.905 -13.244 1.00 12.22 H new ATOM 0 HZ2 LYS A 7 -2.646 -7.548 -11.738 1.00 12.22 H new ATOM 0 HZ3 LYS A 7 -2.420 -5.874 -11.913 1.00 12.22 H new ATOM 125 N SER A 8 -4.302 -3.994 -7.553 1.00 5.31 N ATOM 126 CA SER A 8 -5.688 -3.849 -7.150 1.00 1.03 C ATOM 127 C SER A 8 -6.097 -2.426 -7.377 1.00 43.31 C ATOM 128 O SER A 8 -7.228 -2.142 -7.709 1.00 44.10 O ATOM 129 CB SER A 8 -5.861 -4.248 -5.686 1.00 43.23 C ATOM 130 OG SER A 8 -5.361 -5.573 -5.456 1.00 51.31 O ATOM 0 H SER A 8 -3.623 -3.849 -6.806 1.00 5.31 H new ATOM 0 HA SER A 8 -6.324 -4.507 -7.742 1.00 1.03 H new ATOM 0 HB2 SER A 8 -5.334 -3.540 -5.047 1.00 43.23 H new ATOM 0 HB3 SER A 8 -6.915 -4.200 -5.414 1.00 43.23 H new ATOM 0 HG SER A 8 -4.383 -5.570 -5.521 1.00 51.31 H new ATOM 136 N LEU A 9 -5.131 -1.551 -7.229 1.00 74.03 N ATOM 137 CA LEU A 9 -5.263 -0.161 -7.489 1.00 0.14 C ATOM 138 C LEU A 9 -5.729 0.005 -8.937 1.00 53.31 C ATOM 139 O LEU A 9 -6.643 0.752 -9.216 1.00 73.22 O ATOM 140 CB LEU A 9 -3.876 0.476 -7.222 1.00 72.25 C ATOM 141 CG LEU A 9 -3.727 1.998 -7.244 1.00 75.10 C ATOM 142 CD1 LEU A 9 -3.808 2.555 -8.650 1.00 3.12 C ATOM 143 CD2 LEU A 9 -4.759 2.639 -6.340 1.00 31.20 C ATOM 0 H LEU A 9 -4.198 -1.812 -6.910 1.00 74.03 H new ATOM 0 HA LEU A 9 -5.998 0.333 -6.853 1.00 0.14 H new ATOM 0 HB2 LEU A 9 -3.541 0.130 -6.244 1.00 72.25 H new ATOM 0 HB3 LEU A 9 -3.183 0.070 -7.959 1.00 72.25 H new ATOM 0 HG LEU A 9 -2.734 2.241 -6.866 1.00 75.10 H new ATOM 0 HD11 LEU A 9 -3.697 3.639 -8.619 1.00 3.12 H new ATOM 0 HD12 LEU A 9 -3.011 2.126 -9.258 1.00 3.12 H new ATOM 0 HD13 LEU A 9 -4.774 2.301 -9.087 1.00 3.12 H new ATOM 0 HD21 LEU A 9 -4.642 3.722 -6.365 1.00 31.20 H new ATOM 0 HD22 LEU A 9 -5.759 2.374 -6.684 1.00 31.20 H new ATOM 0 HD23 LEU A 9 -4.620 2.282 -5.319 1.00 31.20 H new ATOM 155 N ARG A 10 -5.113 -0.744 -9.828 1.00 62.10 N ATOM 156 CA ARG A 10 -5.493 -0.741 -11.225 1.00 45.10 C ATOM 157 C ARG A 10 -6.836 -1.452 -11.419 1.00 15.22 C ATOM 158 O ARG A 10 -7.807 -0.848 -11.874 1.00 23.13 O ATOM 159 CB ARG A 10 -4.422 -1.438 -12.061 1.00 43.42 C ATOM 160 CG ARG A 10 -4.725 -1.515 -13.555 1.00 0.21 C ATOM 161 CD ARG A 10 -3.684 -2.295 -14.251 1.00 4.33 C ATOM 162 NE ARG A 10 -3.951 -2.365 -15.660 1.00 0.31 N ATOM 163 CZ ARG A 10 -3.249 -3.061 -16.510 1.00 32.42 C ATOM 164 NH1 ARG A 10 -2.231 -3.809 -16.089 1.00 71.31 N ATOM 165 NH2 ARG A 10 -3.568 -3.035 -17.770 1.00 73.22 N ATOM 0 H ARG A 10 -4.338 -1.369 -9.606 1.00 62.10 H new ATOM 0 HA ARG A 10 -5.591 0.294 -11.551 1.00 45.10 H new ATOM 0 HB2 ARG A 10 -3.476 -0.915 -11.923 1.00 43.42 H new ATOM 0 HB3 ARG A 10 -4.285 -2.450 -11.680 1.00 43.42 H new ATOM 0 HG2 ARG A 10 -5.700 -1.977 -13.712 1.00 0.21 H new ATOM 0 HG3 ARG A 10 -4.777 -0.510 -13.974 1.00 0.21 H new ATOM 0 HD2 ARG A 10 -2.709 -1.837 -14.084 1.00 4.33 H new ATOM 0 HD3 ARG A 10 -3.639 -3.302 -13.835 1.00 4.33 H new ATOM 0 HE ARG A 10 -4.744 -1.834 -16.020 1.00 0.31 H new ATOM 0 HH11 ARG A 10 -1.997 -3.840 -15.097 1.00 71.31 H new ATOM 0 HH12 ARG A 10 -1.685 -4.351 -16.759 1.00 71.31 H new ATOM 0 HH21 ARG A 10 -4.360 -2.474 -18.084 1.00 73.22 H new ATOM 0 HH22 ARG A 10 -3.026 -3.575 -18.444 1.00 73.22 H new ATOM 179 N VAL A 11 -6.891 -2.723 -11.021 1.00 10.41 N ATOM 180 CA VAL A 11 -8.061 -3.571 -11.256 1.00 5.21 C ATOM 181 C VAL A 11 -9.355 -3.013 -10.646 1.00 20.23 C ATOM 182 O VAL A 11 -10.415 -3.147 -11.237 1.00 3.34 O ATOM 183 CB VAL A 11 -7.813 -5.056 -10.833 1.00 14.13 C ATOM 184 CG1 VAL A 11 -9.063 -5.911 -11.002 1.00 2.12 C ATOM 185 CG2 VAL A 11 -6.695 -5.648 -11.670 1.00 54.52 C ATOM 0 H VAL A 11 -6.131 -3.192 -10.529 1.00 10.41 H new ATOM 0 HA VAL A 11 -8.211 -3.562 -12.336 1.00 5.21 H new ATOM 0 HB VAL A 11 -7.540 -5.054 -9.778 1.00 14.13 H new ATOM 0 HG11 VAL A 11 -8.847 -6.935 -10.697 1.00 2.12 H new ATOM 0 HG12 VAL A 11 -9.865 -5.509 -10.383 1.00 2.12 H new ATOM 0 HG13 VAL A 11 -9.372 -5.901 -12.047 1.00 2.12 H new ATOM 0 HG21 VAL A 11 -6.526 -6.683 -11.372 1.00 54.52 H new ATOM 0 HG22 VAL A 11 -6.973 -5.615 -12.724 1.00 54.52 H new ATOM 0 HG23 VAL A 11 -5.782 -5.072 -11.517 1.00 54.52 H new ATOM 195 N LEU A 12 -9.278 -2.332 -9.528 1.00 2.30 N ATOM 196 CA LEU A 12 -10.446 -1.799 -8.925 1.00 43.21 C ATOM 197 C LEU A 12 -10.901 -0.539 -9.650 1.00 2.04 C ATOM 198 O LEU A 12 -12.109 -0.267 -9.787 1.00 45.00 O ATOM 199 CB LEU A 12 -10.229 -1.618 -7.432 1.00 1.41 C ATOM 200 CG LEU A 12 -11.354 -0.997 -6.676 1.00 35.52 C ATOM 201 CD1 LEU A 12 -12.586 -1.898 -6.679 1.00 41.21 C ATOM 202 CD2 LEU A 12 -10.936 -0.614 -5.268 1.00 10.40 C ATOM 0 H LEU A 12 -8.410 -2.141 -9.027 1.00 2.30 H new ATOM 0 HA LEU A 12 -11.271 -2.504 -9.026 1.00 43.21 H new ATOM 0 HB2 LEU A 12 -10.020 -2.594 -6.995 1.00 1.41 H new ATOM 0 HB3 LEU A 12 -9.339 -1.006 -7.286 1.00 1.41 H new ATOM 0 HG LEU A 12 -11.627 -0.074 -7.188 1.00 35.52 H new ATOM 0 HD11 LEU A 12 -13.389 -1.418 -6.120 1.00 41.21 H new ATOM 0 HD12 LEU A 12 -12.910 -2.068 -7.706 1.00 41.21 H new ATOM 0 HD13 LEU A 12 -12.340 -2.852 -6.213 1.00 41.21 H new ATOM 0 HD21 LEU A 12 -11.781 -0.164 -4.747 1.00 10.40 H new ATOM 0 HD22 LEU A 12 -10.610 -1.504 -4.730 1.00 10.40 H new ATOM 0 HD23 LEU A 12 -10.116 0.102 -5.314 1.00 10.40 H new ATOM 214 N ARG A 13 -9.948 0.151 -10.208 1.00 33.32 N ATOM 215 CA ARG A 13 -10.234 1.321 -11.041 1.00 4.30 C ATOM 216 C ARG A 13 -10.666 0.845 -12.430 1.00 60.45 C ATOM 217 O ARG A 13 -11.003 1.640 -13.311 1.00 64.30 O ATOM 218 CB ARG A 13 -9.035 2.268 -11.169 1.00 64.21 C ATOM 219 CG ARG A 13 -8.572 2.963 -9.883 1.00 41.31 C ATOM 220 CD ARG A 13 -9.433 4.167 -9.524 1.00 41.51 C ATOM 221 NE ARG A 13 -10.822 3.815 -9.260 1.00 21.50 N ATOM 222 CZ ARG A 13 -11.880 4.504 -9.686 1.00 13.44 C ATOM 223 NH1 ARG A 13 -11.732 5.659 -10.335 1.00 62.14 N ATOM 224 NH2 ARG A 13 -13.081 4.038 -9.439 1.00 4.14 N ATOM 0 H ARG A 13 -8.956 -0.065 -10.110 1.00 33.32 H new ATOM 0 HA ARG A 13 -11.031 1.885 -10.557 1.00 4.30 H new ATOM 0 HB2 ARG A 13 -8.195 1.702 -11.573 1.00 64.21 H new ATOM 0 HB3 ARG A 13 -9.283 3.036 -11.901 1.00 64.21 H new ATOM 0 HG2 ARG A 13 -8.593 2.248 -9.060 1.00 41.31 H new ATOM 0 HG3 ARG A 13 -7.537 3.284 -10.000 1.00 41.31 H new ATOM 0 HD2 ARG A 13 -9.015 4.657 -8.645 1.00 41.51 H new ATOM 0 HD3 ARG A 13 -9.396 4.890 -10.339 1.00 41.51 H new ATOM 0 HE ARG A 13 -10.998 2.977 -8.706 1.00 21.50 H new ATOM 0 HH11 ARG A 13 -10.798 6.028 -10.512 1.00 62.14 H new ATOM 0 HH12 ARG A 13 -12.553 6.173 -10.654 1.00 62.14 H new ATOM 0 HH21 ARG A 13 -13.193 3.162 -8.929 1.00 4.14 H new ATOM 0 HH22 ARG A 13 -13.903 4.552 -9.757 1.00 4.14 H new ATOM 238 N VAL A 14 -10.619 -0.454 -12.622 1.00 43.14 N ATOM 239 CA VAL A 14 -11.112 -1.078 -13.830 1.00 20.14 C ATOM 240 C VAL A 14 -12.535 -1.585 -13.585 1.00 42.33 C ATOM 241 O VAL A 14 -13.479 -1.172 -14.250 1.00 54.13 O ATOM 242 CB VAL A 14 -10.196 -2.273 -14.277 1.00 4.54 C ATOM 243 CG1 VAL A 14 -10.790 -3.043 -15.453 1.00 4.11 C ATOM 244 CG2 VAL A 14 -8.815 -1.769 -14.654 1.00 2.14 C ATOM 0 H VAL A 14 -10.236 -1.111 -11.942 1.00 43.14 H new ATOM 0 HA VAL A 14 -11.106 -0.336 -14.628 1.00 20.14 H new ATOM 0 HB VAL A 14 -10.124 -2.953 -13.428 1.00 4.54 H new ATOM 0 HG11 VAL A 14 -10.122 -3.860 -15.728 1.00 4.11 H new ATOM 0 HG12 VAL A 14 -11.761 -3.448 -15.169 1.00 4.11 H new ATOM 0 HG13 VAL A 14 -10.911 -2.372 -16.303 1.00 4.11 H new ATOM 0 HG21 VAL A 14 -8.192 -2.609 -14.961 1.00 2.14 H new ATOM 0 HG22 VAL A 14 -8.899 -1.059 -15.477 1.00 2.14 H new ATOM 0 HG23 VAL A 14 -8.360 -1.276 -13.795 1.00 2.14 H new ATOM 254 N LEU A 15 -12.681 -2.410 -12.572 1.00 41.42 N ATOM 255 CA LEU A 15 -13.931 -3.102 -12.276 1.00 73.31 C ATOM 256 C LEU A 15 -15.084 -2.203 -11.965 1.00 32.00 C ATOM 257 O LEU A 15 -16.202 -2.509 -12.329 1.00 32.31 O ATOM 258 CB LEU A 15 -13.768 -4.143 -11.167 1.00 73.54 C ATOM 259 CG LEU A 15 -12.874 -5.338 -11.464 1.00 73.50 C ATOM 260 CD1 LEU A 15 -12.734 -6.209 -10.227 1.00 73.52 C ATOM 261 CD2 LEU A 15 -13.446 -6.150 -12.601 1.00 40.52 C ATOM 0 H LEU A 15 -11.929 -2.627 -11.918 1.00 41.42 H new ATOM 0 HA LEU A 15 -14.176 -3.608 -13.210 1.00 73.31 H new ATOM 0 HB2 LEU A 15 -13.376 -3.638 -10.284 1.00 73.54 H new ATOM 0 HB3 LEU A 15 -14.758 -4.518 -10.906 1.00 73.54 H new ATOM 0 HG LEU A 15 -11.889 -4.971 -11.753 1.00 73.50 H new ATOM 0 HD11 LEU A 15 -12.092 -7.061 -10.452 1.00 73.52 H new ATOM 0 HD12 LEU A 15 -12.292 -5.625 -9.419 1.00 73.52 H new ATOM 0 HD13 LEU A 15 -13.717 -6.567 -9.921 1.00 73.52 H new ATOM 0 HD21 LEU A 15 -12.796 -7.002 -12.803 1.00 40.52 H new ATOM 0 HD22 LEU A 15 -14.439 -6.508 -12.329 1.00 40.52 H new ATOM 0 HD23 LEU A 15 -13.516 -5.528 -13.493 1.00 40.52 H new ATOM 273 N ARG A 16 -14.841 -1.130 -11.318 1.00 20.54 N ATOM 274 CA ARG A 16 -15.940 -0.273 -10.956 1.00 24.41 C ATOM 275 C ARG A 16 -16.355 0.688 -12.071 1.00 41.01 C ATOM 276 O ARG A 16 -17.493 0.596 -12.568 1.00 2.41 O ATOM 277 CB ARG A 16 -15.753 0.385 -9.580 1.00 54.05 C ATOM 278 CG ARG A 16 -15.793 -0.627 -8.437 1.00 25.02 C ATOM 279 CD ARG A 16 -17.151 -1.270 -8.317 1.00 5.24 C ATOM 280 NE ARG A 16 -17.107 -2.420 -7.432 1.00 31.05 N ATOM 281 CZ ARG A 16 -18.066 -2.791 -6.605 1.00 73.13 C ATOM 282 NH1 ARG A 16 -19.134 -2.030 -6.413 1.00 73.34 N ATOM 283 NH2 ARG A 16 -17.932 -3.901 -5.948 1.00 32.40 N ATOM 0 H ARG A 16 -13.917 -0.813 -11.025 1.00 20.54 H new ATOM 0 HA ARG A 16 -16.806 -0.924 -10.836 1.00 24.41 H new ATOM 0 HB2 ARG A 16 -14.800 0.913 -9.560 1.00 54.05 H new ATOM 0 HB3 ARG A 16 -16.534 1.130 -9.428 1.00 54.05 H new ATOM 0 HG2 ARG A 16 -15.039 -1.396 -8.604 1.00 25.02 H new ATOM 0 HG3 ARG A 16 -15.540 -0.130 -7.500 1.00 25.02 H new ATOM 0 HD2 ARG A 16 -17.869 -0.543 -7.938 1.00 5.24 H new ATOM 0 HD3 ARG A 16 -17.499 -1.579 -9.303 1.00 5.24 H new ATOM 0 HE ARG A 16 -16.262 -2.991 -7.451 1.00 31.05 H new ATOM 0 HH11 ARG A 16 -19.224 -1.143 -6.908 1.00 73.34 H new ATOM 0 HH12 ARG A 16 -19.866 -2.332 -5.770 1.00 73.34 H new ATOM 0 HH21 ARG A 16 -17.096 -4.471 -6.075 1.00 32.40 H new ATOM 0 HH22 ARG A 16 -18.663 -4.204 -5.304 1.00 32.40 H new ATOM 297 N PRO A 17 -15.457 1.556 -12.581 1.00 23.21 N ATOM 298 CA PRO A 17 -15.836 2.528 -13.579 1.00 51.54 C ATOM 299 C PRO A 17 -16.153 1.862 -14.895 1.00 22.11 C ATOM 300 O PRO A 17 -17.125 2.215 -15.554 1.00 0.23 O ATOM 301 CB PRO A 17 -14.604 3.434 -13.721 1.00 15.42 C ATOM 302 CG PRO A 17 -13.729 3.070 -12.583 1.00 4.43 C ATOM 303 CD PRO A 17 -14.027 1.637 -12.302 1.00 61.44 C ATOM 0 HA PRO A 17 -16.732 3.078 -13.292 1.00 51.54 H new ATOM 0 HB2 PRO A 17 -14.101 3.270 -14.674 1.00 15.42 H new ATOM 0 HB3 PRO A 17 -14.882 4.487 -13.684 1.00 15.42 H new ATOM 0 HG2 PRO A 17 -12.678 3.211 -12.834 1.00 4.43 H new ATOM 0 HG3 PRO A 17 -13.936 3.693 -11.713 1.00 4.43 H new ATOM 0 HD2 PRO A 17 -13.450 0.969 -12.941 1.00 61.44 H new ATOM 0 HD3 PRO A 17 -13.798 1.369 -11.271 1.00 61.44 H new ATOM 311 N LEU A 18 -15.425 0.805 -15.236 1.00 32.11 N ATOM 312 CA LEU A 18 -15.625 0.244 -16.522 1.00 72.42 C ATOM 313 C LEU A 18 -16.788 -0.639 -16.547 1.00 3.41 C ATOM 314 O LEU A 18 -17.324 -0.881 -17.575 1.00 10.44 O ATOM 315 CB LEU A 18 -14.437 -0.447 -17.043 1.00 34.32 C ATOM 316 CG LEU A 18 -13.227 0.440 -17.315 1.00 2.33 C ATOM 317 CD1 LEU A 18 -12.115 -0.382 -17.865 1.00 2.33 C ATOM 318 CD2 LEU A 18 -13.573 1.584 -18.263 1.00 30.33 C ATOM 0 H LEU A 18 -14.724 0.350 -14.652 1.00 32.11 H new ATOM 0 HA LEU A 18 -15.815 1.087 -17.187 1.00 72.42 H new ATOM 0 HB2 LEU A 18 -14.146 -1.220 -16.331 1.00 34.32 H new ATOM 0 HB3 LEU A 18 -14.710 -0.953 -17.969 1.00 34.32 H new ATOM 0 HG LEU A 18 -12.910 0.886 -16.372 1.00 2.33 H new ATOM 0 HD11 LEU A 18 -11.252 0.256 -18.058 1.00 2.33 H new ATOM 0 HD12 LEU A 18 -11.842 -1.154 -17.145 1.00 2.33 H new ATOM 0 HD13 LEU A 18 -12.435 -0.851 -18.795 1.00 2.33 H new ATOM 0 HD21 LEU A 18 -12.687 2.195 -18.434 1.00 30.33 H new ATOM 0 HD22 LEU A 18 -13.922 1.177 -19.212 1.00 30.33 H new ATOM 0 HD23 LEU A 18 -14.358 2.198 -17.821 1.00 30.33 H new ATOM 330 N LYS A 19 -17.202 -1.121 -15.406 1.00 35.13 N ATOM 331 CA LYS A 19 -18.421 -1.887 -15.359 1.00 21.11 C ATOM 332 C LYS A 19 -19.588 -1.007 -15.263 1.00 65.20 C ATOM 333 O LYS A 19 -20.709 -1.429 -15.462 1.00 12.14 O ATOM 334 CB LYS A 19 -18.420 -3.014 -14.353 1.00 51.55 C ATOM 335 CG LYS A 19 -17.817 -4.294 -14.894 1.00 63.52 C ATOM 336 CD LYS A 19 -16.367 -4.154 -15.333 1.00 24.11 C ATOM 337 CE LYS A 19 -15.892 -5.433 -16.000 1.00 4.33 C ATOM 338 NZ LYS A 19 -14.512 -5.340 -16.494 1.00 31.34 N ATOM 0 H LYS A 19 -16.725 -1.001 -14.512 1.00 35.13 H new ATOM 0 HA LYS A 19 -18.489 -2.414 -16.311 1.00 21.11 H new ATOM 0 HB2 LYS A 19 -17.864 -2.703 -13.469 1.00 51.55 H new ATOM 0 HB3 LYS A 19 -19.444 -3.209 -14.034 1.00 51.55 H new ATOM 0 HG2 LYS A 19 -17.882 -5.067 -14.128 1.00 63.52 H new ATOM 0 HG3 LYS A 19 -18.412 -4.635 -15.741 1.00 63.52 H new ATOM 0 HD2 LYS A 19 -16.269 -3.317 -16.024 1.00 24.11 H new ATOM 0 HD3 LYS A 19 -15.739 -3.931 -14.471 1.00 24.11 H new ATOM 0 HE2 LYS A 19 -15.964 -6.256 -15.289 1.00 4.33 H new ATOM 0 HE3 LYS A 19 -16.555 -5.671 -16.832 1.00 4.33 H new ATOM 0 HZ1 LYS A 19 -14.445 -5.799 -17.425 1.00 31.34 H new ATOM 0 HZ2 LYS A 19 -14.241 -4.340 -16.581 1.00 31.34 H new ATOM 0 HZ3 LYS A 19 -13.872 -5.815 -15.826 1.00 31.34 H new ATOM 352 N THR A 20 -19.327 0.220 -14.998 1.00 71.40 N ATOM 353 CA THR A 20 -20.348 1.193 -15.091 1.00 4.24 C ATOM 354 C THR A 20 -20.685 1.384 -16.593 1.00 34.13 C ATOM 355 O THR A 20 -21.843 1.485 -16.967 1.00 41.21 O ATOM 356 CB THR A 20 -19.947 2.526 -14.452 1.00 34.23 C ATOM 357 OG1 THR A 20 -19.450 2.299 -13.111 1.00 52.34 O ATOM 358 CG2 THR A 20 -21.161 3.393 -14.373 1.00 52.33 C ATOM 0 H THR A 20 -18.413 0.574 -14.715 1.00 71.40 H new ATOM 0 HA THR A 20 -21.221 0.846 -14.538 1.00 4.24 H new ATOM 0 HB THR A 20 -19.169 3.001 -15.050 1.00 34.23 H new ATOM 0 HG1 THR A 20 -18.556 1.901 -13.157 1.00 52.34 H new ATOM 0 HG21 THR A 20 -20.897 4.349 -13.920 1.00 52.33 H new ATOM 0 HG22 THR A 20 -21.553 3.563 -15.376 1.00 52.33 H new ATOM 0 HG23 THR A 20 -21.920 2.901 -13.765 1.00 52.33 H new ATOM 366 N ILE A 21 -19.659 1.394 -17.450 1.00 64.25 N ATOM 367 CA ILE A 21 -19.900 1.442 -18.899 1.00 70.14 C ATOM 368 C ILE A 21 -20.316 0.066 -19.403 1.00 52.04 C ATOM 369 O ILE A 21 -21.406 -0.116 -19.943 1.00 30.32 O ATOM 370 CB ILE A 21 -18.671 1.950 -19.749 1.00 74.14 C ATOM 371 CG1 ILE A 21 -18.318 3.416 -19.464 1.00 24.34 C ATOM 372 CG2 ILE A 21 -18.921 1.773 -21.244 1.00 15.35 C ATOM 373 CD1 ILE A 21 -17.680 3.663 -18.138 1.00 74.11 C ATOM 0 H ILE A 21 -18.676 1.370 -17.177 1.00 64.25 H new ATOM 0 HA ILE A 21 -20.697 2.173 -19.038 1.00 70.14 H new ATOM 0 HB ILE A 21 -17.824 1.335 -19.445 1.00 74.14 H new ATOM 0 HG12 ILE A 21 -17.646 3.771 -20.246 1.00 24.34 H new ATOM 0 HG13 ILE A 21 -19.228 4.013 -19.530 1.00 24.34 H new ATOM 0 HG21 ILE A 21 -18.057 2.132 -21.802 1.00 15.35 H new ATOM 0 HG22 ILE A 21 -19.082 0.718 -21.464 1.00 15.35 H new ATOM 0 HG23 ILE A 21 -19.803 2.343 -21.535 1.00 15.35 H new ATOM 0 HD11 ILE A 21 -17.468 4.727 -18.029 1.00 74.11 H new ATOM 0 HD12 ILE A 21 -18.356 3.344 -17.344 1.00 74.11 H new ATOM 0 HD13 ILE A 21 -16.750 3.099 -18.071 1.00 74.11 H new ATOM 385 N LYS A 22 -19.462 -0.901 -19.173 1.00 53.02 N ATOM 386 CA LYS A 22 -19.672 -2.275 -19.653 1.00 52.30 C ATOM 387 C LYS A 22 -20.888 -2.996 -19.040 1.00 34.32 C ATOM 388 O LYS A 22 -21.153 -4.139 -19.406 1.00 44.12 O ATOM 389 CB LYS A 22 -18.419 -3.152 -19.501 1.00 63.54 C ATOM 390 CG LYS A 22 -17.168 -2.632 -20.206 1.00 64.34 C ATOM 391 CD LYS A 22 -17.384 -2.384 -21.692 1.00 12.24 C ATOM 392 CE LYS A 22 -16.078 -1.981 -22.367 1.00 51.53 C ATOM 393 NZ LYS A 22 -16.259 -1.635 -23.791 1.00 2.00 N ATOM 0 H LYS A 22 -18.596 -0.773 -18.649 1.00 53.02 H new ATOM 0 HA LYS A 22 -19.889 -2.141 -20.713 1.00 52.30 H new ATOM 0 HB2 LYS A 22 -18.199 -3.261 -18.439 1.00 63.54 H new ATOM 0 HB3 LYS A 22 -18.644 -4.148 -19.883 1.00 63.54 H new ATOM 0 HG2 LYS A 22 -16.849 -1.704 -19.731 1.00 64.34 H new ATOM 0 HG3 LYS A 22 -16.359 -3.351 -20.077 1.00 64.34 H new ATOM 0 HD2 LYS A 22 -17.779 -3.284 -22.162 1.00 12.24 H new ATOM 0 HD3 LYS A 22 -18.128 -1.599 -21.830 1.00 12.24 H new ATOM 0 HE2 LYS A 22 -15.649 -1.128 -21.841 1.00 51.53 H new ATOM 0 HE3 LYS A 22 -15.362 -2.799 -22.284 1.00 51.53 H new ATOM 0 HZ1 LYS A 22 -15.342 -1.368 -24.203 1.00 2.00 H new ATOM 0 HZ2 LYS A 22 -16.642 -2.456 -24.302 1.00 2.00 H new ATOM 0 HZ3 LYS A 22 -16.920 -0.837 -23.873 1.00 2.00 H new ATOM 407 N ARG A 23 -21.624 -2.362 -18.118 1.00 41.23 N ATOM 408 CA ARG A 23 -22.862 -2.970 -17.614 1.00 45.15 C ATOM 409 C ARG A 23 -23.922 -2.967 -18.703 1.00 22.51 C ATOM 410 O ARG A 23 -24.896 -3.698 -18.618 1.00 65.34 O ATOM 411 CB ARG A 23 -23.426 -2.259 -16.370 1.00 22.01 C ATOM 412 CG ARG A 23 -23.881 -0.823 -16.607 1.00 31.24 C ATOM 413 CD ARG A 23 -24.494 -0.205 -15.358 1.00 45.22 C ATOM 414 NE ARG A 23 -25.695 -0.926 -14.920 1.00 5.23 N ATOM 415 CZ ARG A 23 -26.694 -0.412 -14.188 1.00 4.42 C ATOM 416 NH1 ARG A 23 -26.670 0.860 -13.798 1.00 74.21 N ATOM 417 NH2 ARG A 23 -27.712 -1.175 -13.858 1.00 22.11 N ATOM 0 H ARG A 23 -21.393 -1.454 -17.715 1.00 41.23 H new ATOM 0 HA ARG A 23 -22.606 -3.988 -17.322 1.00 45.15 H new ATOM 0 HB2 ARG A 23 -24.270 -2.835 -15.991 1.00 22.01 H new ATOM 0 HB3 ARG A 23 -22.664 -2.260 -15.591 1.00 22.01 H new ATOM 0 HG2 ARG A 23 -23.031 -0.222 -16.929 1.00 31.24 H new ATOM 0 HG3 ARG A 23 -24.610 -0.803 -17.417 1.00 31.24 H new ATOM 0 HD2 ARG A 23 -23.758 -0.206 -14.554 1.00 45.22 H new ATOM 0 HD3 ARG A 23 -24.748 0.836 -15.556 1.00 45.22 H new ATOM 0 HE ARG A 23 -25.777 -1.904 -15.197 1.00 5.23 H new ATOM 0 HH11 ARG A 23 -25.885 1.458 -14.056 1.00 74.21 H new ATOM 0 HH12 ARG A 23 -27.437 1.237 -13.241 1.00 74.21 H new ATOM 0 HH21 ARG A 23 -27.738 -2.149 -14.158 1.00 22.11 H new ATOM 0 HH22 ARG A 23 -28.476 -0.793 -13.301 1.00 22.11 H new ATOM 431 N LEU A 24 -23.727 -2.130 -19.718 1.00 3.11 N ATOM 432 CA LEU A 24 -24.669 -2.045 -20.808 1.00 2.14 C ATOM 433 C LEU A 24 -24.765 -3.381 -21.585 1.00 34.33 C ATOM 434 O LEU A 24 -25.878 -3.900 -21.747 1.00 61.35 O ATOM 435 CB LEU A 24 -24.408 -0.825 -21.720 1.00 25.31 C ATOM 436 CG LEU A 24 -24.422 0.545 -21.032 1.00 62.24 C ATOM 437 CD1 LEU A 24 -24.143 1.651 -22.033 1.00 25.44 C ATOM 438 CD2 LEU A 24 -25.745 0.784 -20.333 1.00 60.52 C ATOM 0 H LEU A 24 -22.924 -1.506 -19.800 1.00 3.11 H new ATOM 0 HA LEU A 24 -25.653 -1.874 -20.372 1.00 2.14 H new ATOM 0 HB2 LEU A 24 -23.439 -0.957 -22.202 1.00 25.31 H new ATOM 0 HB3 LEU A 24 -25.159 -0.820 -22.510 1.00 25.31 H new ATOM 0 HG LEU A 24 -23.632 0.553 -20.281 1.00 62.24 H new ATOM 0 HD11 LEU A 24 -24.158 2.615 -21.524 1.00 25.44 H new ATOM 0 HD12 LEU A 24 -23.164 1.494 -22.485 1.00 25.44 H new ATOM 0 HD13 LEU A 24 -24.907 1.640 -22.810 1.00 25.44 H new ATOM 0 HD21 LEU A 24 -25.731 1.762 -19.852 1.00 60.52 H new ATOM 0 HD22 LEU A 24 -26.554 0.750 -21.063 1.00 60.52 H new ATOM 0 HD23 LEU A 24 -25.903 0.012 -19.580 1.00 60.52 H new ATOM 450 N PRO A 25 -23.636 -3.987 -22.092 1.00 32.40 N ATOM 451 CA PRO A 25 -23.694 -5.304 -22.701 1.00 71.03 C ATOM 452 C PRO A 25 -23.213 -6.418 -21.753 1.00 24.31 C ATOM 453 O PRO A 25 -23.108 -7.584 -22.149 1.00 71.34 O ATOM 454 CB PRO A 25 -22.764 -5.167 -23.912 1.00 75.34 C ATOM 455 CG PRO A 25 -21.861 -3.985 -23.607 1.00 30.34 C ATOM 456 CD PRO A 25 -22.281 -3.425 -22.261 1.00 21.53 C ATOM 0 HA PRO A 25 -24.712 -5.594 -22.961 1.00 71.03 H new ATOM 0 HB2 PRO A 25 -22.181 -6.076 -24.063 1.00 75.34 H new ATOM 0 HB3 PRO A 25 -23.334 -4.999 -24.826 1.00 75.34 H new ATOM 0 HG2 PRO A 25 -20.817 -4.296 -23.584 1.00 30.34 H new ATOM 0 HG3 PRO A 25 -21.950 -3.225 -24.383 1.00 30.34 H new ATOM 0 HD2 PRO A 25 -21.609 -3.739 -21.463 1.00 21.53 H new ATOM 0 HD3 PRO A 25 -22.290 -2.335 -22.260 1.00 21.53 H new ATOM 464 N LYS A 26 -22.955 -6.025 -20.514 1.00 42.44 N ATOM 465 CA LYS A 26 -22.445 -6.892 -19.422 1.00 60.33 C ATOM 466 C LYS A 26 -21.251 -7.733 -19.861 1.00 71.10 C ATOM 467 O LYS A 26 -21.367 -8.942 -20.108 1.00 3.33 O ATOM 468 CB LYS A 26 -23.535 -7.756 -18.761 1.00 34.25 C ATOM 469 CG LYS A 26 -24.632 -6.950 -18.074 1.00 23.32 C ATOM 470 CD LYS A 26 -25.654 -7.812 -17.295 1.00 51.34 C ATOM 471 CE LYS A 26 -26.591 -8.661 -18.180 1.00 44.25 C ATOM 472 NZ LYS A 26 -25.933 -9.816 -18.835 1.00 71.43 N ATOM 0 H LYS A 26 -23.095 -5.060 -20.214 1.00 42.44 H new ATOM 0 HA LYS A 26 -22.096 -6.206 -18.650 1.00 60.33 H new ATOM 0 HB2 LYS A 26 -23.988 -8.394 -19.519 1.00 34.25 H new ATOM 0 HB3 LYS A 26 -23.068 -8.414 -18.028 1.00 34.25 H new ATOM 0 HG2 LYS A 26 -24.171 -6.241 -17.386 1.00 23.32 H new ATOM 0 HG3 LYS A 26 -25.163 -6.365 -18.825 1.00 23.32 H new ATOM 0 HD2 LYS A 26 -25.111 -8.477 -16.623 1.00 51.34 H new ATOM 0 HD3 LYS A 26 -26.262 -7.156 -16.672 1.00 51.34 H new ATOM 0 HE2 LYS A 26 -27.416 -9.027 -17.568 1.00 44.25 H new ATOM 0 HE3 LYS A 26 -27.024 -8.021 -18.949 1.00 44.25 H new ATOM 0 HZ1 LYS A 26 -26.551 -10.650 -18.770 1.00 71.43 H new ATOM 0 HZ2 LYS A 26 -25.756 -9.593 -19.835 1.00 71.43 H new ATOM 0 HZ3 LYS A 26 -25.030 -10.016 -18.360 1.00 71.43 H new ATOM 486 N LEU A 27 -20.125 -7.085 -19.985 1.00 41.44 N ATOM 487 CA LEU A 27 -18.921 -7.727 -20.486 1.00 74.05 C ATOM 488 C LEU A 27 -17.914 -7.987 -19.373 1.00 62.31 C ATOM 489 O LEU A 27 -18.128 -7.601 -18.210 1.00 61.41 O ATOM 490 CB LEU A 27 -18.287 -6.876 -21.593 1.00 42.44 C ATOM 491 CG LEU A 27 -19.149 -6.629 -22.837 1.00 10.12 C ATOM 492 CD1 LEU A 27 -18.415 -5.741 -23.820 1.00 64.31 C ATOM 493 CD2 LEU A 27 -19.539 -7.942 -23.506 1.00 11.13 C ATOM 0 H LEU A 27 -20.007 -6.101 -19.745 1.00 41.44 H new ATOM 0 HA LEU A 27 -19.209 -8.693 -20.900 1.00 74.05 H new ATOM 0 HB2 LEU A 27 -18.014 -5.910 -21.168 1.00 42.44 H new ATOM 0 HB3 LEU A 27 -17.362 -7.358 -21.908 1.00 42.44 H new ATOM 0 HG LEU A 27 -20.062 -6.126 -22.518 1.00 10.12 H new ATOM 0 HD11 LEU A 27 -19.040 -5.575 -24.697 1.00 64.31 H new ATOM 0 HD12 LEU A 27 -18.190 -4.784 -23.348 1.00 64.31 H new ATOM 0 HD13 LEU A 27 -17.486 -6.224 -24.123 1.00 64.31 H new ATOM 0 HD21 LEU A 27 -20.150 -7.735 -24.385 1.00 11.13 H new ATOM 0 HD22 LEU A 27 -18.639 -8.478 -23.807 1.00 11.13 H new ATOM 0 HD23 LEU A 27 -20.108 -8.553 -22.805 1.00 11.13 H new ATOM 505 N LYS A 28 -16.824 -8.621 -19.732 1.00 14.41 N ATOM 506 CA LYS A 28 -15.784 -8.967 -18.807 1.00 23.44 C ATOM 507 C LYS A 28 -14.549 -8.117 -19.061 1.00 22.40 C ATOM 508 O LYS A 28 -13.891 -8.277 -20.102 1.00 33.21 O ATOM 509 CB LYS A 28 -15.476 -10.480 -18.849 1.00 30.14 C ATOM 510 CG LYS A 28 -15.127 -11.023 -20.220 1.00 61.52 C ATOM 511 CD LYS A 28 -14.866 -12.507 -20.187 1.00 52.40 C ATOM 512 CE LYS A 28 -14.503 -13.004 -21.566 1.00 75.10 C ATOM 513 NZ LYS A 28 -14.355 -14.468 -21.617 1.00 33.33 N ATOM 514 OXT LYS A 28 -14.226 -7.276 -18.222 1.00 0.00 O ATOM 0 H LYS A 28 -16.636 -8.913 -20.691 1.00 14.41 H new ATOM 0 HA LYS A 28 -16.129 -8.751 -17.796 1.00 23.44 H new ATOM 0 HB2 LYS A 28 -14.648 -10.686 -18.171 1.00 30.14 H new ATOM 0 HB3 LYS A 28 -16.342 -11.023 -18.469 1.00 30.14 H new ATOM 0 HG2 LYS A 28 -15.943 -10.813 -20.912 1.00 61.52 H new ATOM 0 HG3 LYS A 28 -14.245 -10.508 -20.601 1.00 61.52 H new ATOM 0 HD2 LYS A 28 -14.058 -12.726 -19.489 1.00 52.40 H new ATOM 0 HD3 LYS A 28 -15.750 -13.031 -19.825 1.00 52.40 H new ATOM 0 HE2 LYS A 28 -15.272 -12.695 -22.274 1.00 75.10 H new ATOM 0 HE3 LYS A 28 -13.571 -12.537 -21.883 1.00 75.10 H new ATOM 0 HZ1 LYS A 28 -14.106 -14.758 -22.584 1.00 33.33 H new ATOM 0 HZ2 LYS A 28 -13.603 -14.764 -20.962 1.00 33.33 H new ATOM 0 HZ3 LYS A 28 -15.251 -14.917 -21.341 1.00 33.33 H new TER 528 LYS A 28