USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 305 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 GLY N :NH3+ -111:sc= 0.0836 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0746 USER MOD Single : A 8 GLN : amide:sc= -0.0185 X(o=-0.019,f=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.0136 K(o=0.014,f=-0.92) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.049) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.245 F(o=-4.3!,f=-0.24) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.529 -4.744 -16.872 1.00 41.54 N ATOM 2 CA GLY A 1 -2.983 -3.482 -17.338 1.00 65.33 C ATOM 3 C GLY A 1 -1.742 -3.667 -18.190 1.00 30.04 C ATOM 4 O GLY A 1 -1.218 -4.776 -18.306 1.00 54.42 O ATOM 0 H1 GLY A 1 -4.438 -4.924 -17.343 1.00 41.54 H new ATOM 0 H2 GLY A 1 -2.865 -5.513 -17.095 1.00 41.54 H new ATOM 0 H3 GLY A 1 -3.675 -4.700 -15.843 1.00 41.54 H new ATOM 0 HA2 GLY A 1 -3.741 -2.953 -17.915 1.00 65.33 H new ATOM 0 HA3 GLY A 1 -2.741 -2.855 -16.480 1.00 65.33 H new ATOM 8 N THR A 2 -1.270 -2.578 -18.789 1.00 23.23 N ATOM 9 CA THR A 2 -0.085 -2.625 -19.636 1.00 60.32 C ATOM 10 C THR A 2 1.182 -2.775 -18.802 1.00 21.10 C ATOM 11 O THR A 2 2.192 -3.293 -19.278 1.00 61.42 O ATOM 12 CB THR A 2 0.034 -1.360 -20.507 1.00 13.04 C ATOM 13 OG1 THR A 2 -0.583 -0.250 -19.845 1.00 34.34 O ATOM 14 CG2 THR A 2 -0.619 -1.574 -21.864 1.00 44.11 C ATOM 0 H THR A 2 -1.691 -1.653 -18.703 1.00 23.23 H new ATOM 0 HA THR A 2 -0.195 -3.494 -20.284 1.00 60.32 H new ATOM 0 HB THR A 2 1.092 -1.149 -20.660 1.00 13.04 H new ATOM 0 HG1 THR A 2 -0.502 0.551 -20.404 1.00 34.34 H new ATOM 0 HG21 THR A 2 -0.522 -0.667 -22.461 1.00 44.11 H new ATOM 0 HG22 THR A 2 -0.128 -2.401 -22.378 1.00 44.11 H new ATOM 0 HG23 THR A 2 -1.675 -1.807 -21.727 1.00 44.11 H new ATOM 22 N TRP A 3 1.122 -2.319 -17.556 1.00 74.41 N ATOM 23 CA TRP A 3 2.266 -2.404 -16.655 1.00 55.12 C ATOM 24 C TRP A 3 2.532 -3.849 -16.248 1.00 45.24 C ATOM 25 O TRP A 3 3.663 -4.214 -15.927 1.00 24.00 O ATOM 26 CB TRP A 3 2.025 -1.547 -15.411 1.00 45.12 C ATOM 27 CG TRP A 3 1.976 -0.078 -15.703 1.00 1.53 C ATOM 28 CD1 TRP A 3 0.887 0.642 -16.105 1.00 3.12 C ATOM 29 CD2 TRP A 3 3.063 0.850 -15.616 1.00 42.24 C ATOM 30 NE1 TRP A 3 1.232 1.961 -16.274 1.00 0.53 N ATOM 31 CE2 TRP A 3 2.561 2.115 -15.980 1.00 0.34 C ATOM 32 CE3 TRP A 3 4.411 0.736 -15.266 1.00 0.12 C ATOM 33 CZ2 TRP A 3 3.361 3.255 -16.003 1.00 32.34 C ATOM 34 CZ3 TRP A 3 5.204 1.868 -15.289 1.00 74.24 C ATOM 35 CH2 TRP A 3 4.677 3.114 -15.655 1.00 32.22 C ATOM 0 H TRP A 3 0.294 -1.887 -17.147 1.00 74.41 H new ATOM 0 HA TRP A 3 3.142 -2.028 -17.183 1.00 55.12 H new ATOM 0 HB2 TRP A 3 1.087 -1.849 -14.946 1.00 45.12 H new ATOM 0 HB3 TRP A 3 2.816 -1.740 -14.687 1.00 45.12 H new ATOM 0 HD1 TRP A 3 -0.100 0.234 -16.266 1.00 3.12 H new ATOM 0 HE1 TRP A 3 0.601 2.705 -16.570 1.00 0.53 H new ATOM 0 HE3 TRP A 3 4.826 -0.220 -14.982 1.00 0.12 H new ATOM 0 HZ2 TRP A 3 2.957 4.216 -16.285 1.00 32.34 H new ATOM 0 HZ3 TRP A 3 6.247 1.791 -15.020 1.00 74.24 H new ATOM 0 HH2 TRP A 3 5.322 3.980 -15.663 1.00 32.22 H new ATOM 46 N ASP A 4 1.486 -4.666 -16.265 1.00 34.44 N ATOM 47 CA ASP A 4 1.608 -6.073 -15.898 1.00 50.34 C ATOM 48 C ASP A 4 2.102 -6.219 -14.463 1.00 21.34 C ATOM 49 O ASP A 4 3.292 -6.066 -14.186 1.00 70.14 O ATOM 50 CB ASP A 4 2.562 -6.790 -16.855 1.00 1.30 C ATOM 51 CG ASP A 4 3.196 -8.017 -16.229 1.00 53.51 C ATOM 52 OD1 ASP A 4 2.477 -9.018 -16.028 1.00 1.53 O ATOM 53 OD2 ASP A 4 4.410 -7.975 -15.940 1.00 21.42 O ATOM 0 H ASP A 4 0.543 -4.379 -16.529 1.00 34.44 H new ATOM 0 HA ASP A 4 0.621 -6.530 -15.971 1.00 50.34 H new ATOM 0 HB2 ASP A 4 2.018 -7.084 -17.753 1.00 1.30 H new ATOM 0 HB3 ASP A 4 3.345 -6.099 -17.168 1.00 1.30 H new ATOM 58 N ASP A 5 1.181 -6.516 -13.553 1.00 14.32 N ATOM 59 CA ASP A 5 1.522 -6.683 -12.145 1.00 22.00 C ATOM 60 C ASP A 5 0.285 -7.031 -11.323 1.00 51.32 C ATOM 61 O ASP A 5 0.362 -7.794 -10.360 1.00 70.11 O ATOM 62 CB ASP A 5 2.170 -5.409 -11.600 1.00 51.14 C ATOM 63 CG ASP A 5 2.185 -5.369 -10.085 1.00 31.30 C ATOM 64 OD1 ASP A 5 2.863 -6.223 -9.476 1.00 51.13 O ATOM 65 OD2 ASP A 5 1.518 -4.485 -9.508 1.00 31.14 O ATOM 0 H ASP A 5 0.192 -6.646 -13.765 1.00 14.32 H new ATOM 0 HA ASP A 5 2.232 -7.506 -12.065 1.00 22.00 H new ATOM 0 HB2 ASP A 5 3.192 -5.337 -11.972 1.00 51.14 H new ATOM 0 HB3 ASP A 5 1.631 -4.540 -11.978 1.00 51.14 H new ATOM 70 N ILE A 6 -0.854 -6.465 -11.709 1.00 43.03 N ATOM 71 CA ILE A 6 -2.107 -6.715 -11.008 1.00 62.42 C ATOM 72 C ILE A 6 -2.558 -8.161 -11.188 1.00 51.13 C ATOM 73 O ILE A 6 -3.459 -8.632 -10.495 1.00 42.12 O ATOM 74 CB ILE A 6 -3.224 -5.776 -11.499 1.00 0.31 C ATOM 75 CG1 ILE A 6 -2.734 -4.326 -11.509 1.00 23.45 C ATOM 76 CG2 ILE A 6 -4.459 -5.917 -10.621 1.00 64.22 C ATOM 77 CD1 ILE A 6 -2.301 -3.826 -10.148 1.00 53.32 C ATOM 0 H ILE A 6 -0.934 -5.830 -12.503 1.00 43.03 H new ATOM 0 HA ILE A 6 -1.921 -6.523 -9.951 1.00 62.42 H new ATOM 0 HB ILE A 6 -3.492 -6.056 -12.518 1.00 0.31 H new ATOM 0 HG12 ILE A 6 -1.898 -4.238 -12.203 1.00 23.45 H new ATOM 0 HG13 ILE A 6 -3.530 -3.684 -11.887 1.00 23.45 H new ATOM 0 HG21 ILE A 6 -5.240 -5.247 -10.981 1.00 64.22 H new ATOM 0 HG22 ILE A 6 -4.817 -6.946 -10.660 1.00 64.22 H new ATOM 0 HG23 ILE A 6 -4.206 -5.660 -9.593 1.00 64.22 H new ATOM 0 HD11 ILE A 6 -1.966 -2.792 -10.230 1.00 53.32 H new ATOM 0 HD12 ILE A 6 -3.141 -3.882 -9.456 1.00 53.32 H new ATOM 0 HD13 ILE A 6 -1.483 -4.444 -9.777 1.00 53.32 H new ATOM 89 N GLY A 7 -1.924 -8.861 -12.124 1.00 23.22 N ATOM 90 CA GLY A 7 -2.272 -10.247 -12.377 1.00 54.13 C ATOM 91 C GLY A 7 -1.094 -11.183 -12.200 1.00 64.20 C ATOM 92 O GLY A 7 -1.271 -12.390 -12.037 1.00 12.14 O ATOM 0 H GLY A 7 -1.176 -8.493 -12.711 1.00 23.22 H new ATOM 0 HA2 GLY A 7 -3.074 -10.546 -11.702 1.00 54.13 H new ATOM 0 HA3 GLY A 7 -2.658 -10.342 -13.392 1.00 54.13 H new ATOM 96 N GLN A 8 0.113 -10.626 -12.234 1.00 32.31 N ATOM 97 CA GLN A 8 1.325 -11.421 -12.078 1.00 62.10 C ATOM 98 C GLN A 8 1.628 -11.668 -10.604 1.00 23.31 C ATOM 99 O GLN A 8 1.494 -12.788 -10.111 1.00 52.44 O ATOM 100 CB GLN A 8 2.510 -10.719 -12.744 1.00 11.23 C ATOM 101 CG GLN A 8 3.103 -11.497 -13.907 1.00 40.11 C ATOM 102 CD GLN A 8 4.016 -12.619 -13.454 1.00 35.42 C ATOM 103 OE1 GLN A 8 3.711 -13.797 -13.643 1.00 32.43 O ATOM 104 NE2 GLN A 8 5.143 -12.259 -12.852 1.00 30.54 N ATOM 0 H GLN A 8 0.277 -9.628 -12.368 1.00 32.31 H new ATOM 0 HA GLN A 8 1.163 -12.384 -12.563 1.00 62.10 H new ATOM 0 HB2 GLN A 8 2.189 -9.740 -13.099 1.00 11.23 H new ATOM 0 HB3 GLN A 8 3.286 -10.549 -11.998 1.00 11.23 H new ATOM 0 HG2 GLN A 8 2.296 -11.912 -14.511 1.00 40.11 H new ATOM 0 HG3 GLN A 8 3.662 -10.815 -14.548 1.00 40.11 H new ATOM 0 HE21 GLN A 8 5.356 -11.271 -12.716 1.00 30.54 H new ATOM 0 HE22 GLN A 8 5.796 -12.971 -12.525 1.00 30.54 H new ATOM 113 N GLY A 9 2.039 -10.615 -9.904 1.00 52.22 N ATOM 114 CA GLY A 9 2.355 -10.739 -8.493 1.00 41.23 C ATOM 115 C GLY A 9 1.659 -9.690 -7.649 1.00 34.33 C ATOM 116 O GLY A 9 2.168 -8.582 -7.479 1.00 53.03 O ATOM 0 H GLY A 9 2.159 -9.678 -10.289 1.00 52.22 H new ATOM 0 HA2 GLY A 9 2.067 -11.731 -8.145 1.00 41.23 H new ATOM 0 HA3 GLY A 9 3.433 -10.654 -8.356 1.00 41.23 H new ATOM 120 N ILE A 10 0.491 -10.039 -7.119 1.00 62.50 N ATOM 121 CA ILE A 10 -0.276 -9.120 -6.288 1.00 41.43 C ATOM 122 C ILE A 10 -1.349 -9.859 -5.496 1.00 51.43 C ATOM 123 O ILE A 10 -1.649 -9.504 -4.357 1.00 31.50 O ATOM 124 CB ILE A 10 -0.944 -8.020 -7.135 1.00 32.21 C ATOM 125 CG1 ILE A 10 -1.437 -6.884 -6.237 1.00 54.31 C ATOM 126 CG2 ILE A 10 -2.094 -8.601 -7.944 1.00 54.40 C ATOM 127 CD1 ILE A 10 -0.328 -5.989 -5.730 1.00 22.30 C ATOM 0 H ILE A 10 0.056 -10.952 -7.251 1.00 62.50 H new ATOM 0 HA ILE A 10 0.428 -8.658 -5.596 1.00 41.43 H new ATOM 0 HB ILE A 10 -0.206 -7.616 -7.828 1.00 32.21 H new ATOM 0 HG12 ILE A 10 -2.156 -6.280 -6.791 1.00 54.31 H new ATOM 0 HG13 ILE A 10 -1.968 -7.309 -5.385 1.00 54.31 H new ATOM 0 HG21 ILE A 10 -2.556 -7.812 -8.537 1.00 54.40 H new ATOM 0 HG22 ILE A 10 -1.716 -9.379 -8.607 1.00 54.40 H new ATOM 0 HG23 ILE A 10 -2.835 -9.028 -7.268 1.00 54.40 H new ATOM 0 HD11 ILE A 10 -0.751 -5.206 -5.100 1.00 22.30 H new ATOM 0 HD12 ILE A 10 0.379 -6.580 -5.148 1.00 22.30 H new ATOM 0 HD13 ILE A 10 0.188 -5.535 -6.576 1.00 22.30 H new ATOM 139 N GLY A 11 -1.924 -10.890 -6.108 1.00 43.01 N ATOM 140 CA GLY A 11 -2.956 -11.665 -5.445 1.00 13.52 C ATOM 141 C GLY A 11 -3.561 -12.720 -6.349 1.00 64.05 C ATOM 142 O GLY A 11 -4.012 -13.765 -5.880 1.00 52.31 O ATOM 0 H GLY A 11 -1.693 -11.202 -7.051 1.00 43.01 H new ATOM 0 HA2 GLY A 11 -2.534 -12.146 -4.563 1.00 13.52 H new ATOM 0 HA3 GLY A 11 -3.742 -10.995 -5.097 1.00 13.52 H new ATOM 146 N ARG A 12 -3.571 -12.447 -7.650 1.00 42.11 N ATOM 147 CA ARG A 12 -4.127 -13.380 -8.622 1.00 70.13 C ATOM 148 C ARG A 12 -3.037 -14.278 -9.200 1.00 44.51 C ATOM 149 O ARG A 12 -3.140 -14.747 -10.333 1.00 71.24 O ATOM 150 CB ARG A 12 -4.826 -12.618 -9.750 1.00 32.51 C ATOM 151 CG ARG A 12 -5.984 -13.381 -10.373 1.00 51.21 C ATOM 152 CD ARG A 12 -7.154 -12.460 -10.684 1.00 61.31 C ATOM 153 NE ARG A 12 -6.866 -11.569 -11.805 1.00 34.30 N ATOM 154 CZ ARG A 12 -6.862 -11.962 -13.074 1.00 23.52 C ATOM 155 NH1 ARG A 12 -7.128 -13.224 -13.381 1.00 60.43 N ATOM 156 NH2 ARG A 12 -6.591 -11.092 -14.038 1.00 63.42 N ATOM 0 H ARG A 12 -3.200 -11.587 -8.055 1.00 42.11 H new ATOM 0 HA ARG A 12 -4.856 -14.007 -8.109 1.00 70.13 H new ATOM 0 HB2 ARG A 12 -5.194 -11.668 -9.362 1.00 32.51 H new ATOM 0 HB3 ARG A 12 -4.097 -12.384 -10.526 1.00 32.51 H new ATOM 0 HG2 ARG A 12 -5.650 -13.868 -11.289 1.00 51.21 H new ATOM 0 HG3 ARG A 12 -6.310 -14.169 -9.694 1.00 51.21 H new ATOM 0 HD2 ARG A 12 -8.035 -13.059 -10.914 1.00 61.31 H new ATOM 0 HD3 ARG A 12 -7.393 -11.867 -9.801 1.00 61.31 H new ATOM 0 HE ARG A 12 -6.656 -10.592 -11.602 1.00 34.30 H new ATOM 0 HH11 ARG A 12 -7.336 -13.896 -12.642 1.00 60.43 H new ATOM 0 HH12 ARG A 12 -7.124 -13.523 -14.356 1.00 60.43 H new ATOM 0 HH21 ARG A 12 -6.385 -10.120 -13.805 1.00 63.42 H new ATOM 0 HH22 ARG A 12 -6.588 -11.395 -15.012 1.00 63.42 H new ATOM 170 N VAL A 13 -1.991 -14.511 -8.413 1.00 60.23 N ATOM 171 CA VAL A 13 -0.881 -15.352 -8.846 1.00 35.41 C ATOM 172 C VAL A 13 -1.296 -16.818 -8.910 1.00 62.14 C ATOM 173 O VAL A 13 -0.827 -17.569 -9.765 1.00 54.05 O ATOM 174 CB VAL A 13 0.329 -15.213 -7.904 1.00 31.45 C ATOM 175 CG1 VAL A 13 1.573 -15.816 -8.539 1.00 34.00 C ATOM 176 CG2 VAL A 13 0.558 -13.753 -7.543 1.00 63.44 C ATOM 0 H VAL A 13 -1.889 -14.129 -7.473 1.00 60.23 H new ATOM 0 HA VAL A 13 -0.597 -15.014 -9.842 1.00 35.41 H new ATOM 0 HB VAL A 13 0.118 -15.761 -6.986 1.00 31.45 H new ATOM 0 HG11 VAL A 13 2.418 -15.708 -7.858 1.00 34.00 H new ATOM 0 HG12 VAL A 13 1.402 -16.873 -8.741 1.00 34.00 H new ATOM 0 HG13 VAL A 13 1.792 -15.299 -9.473 1.00 34.00 H new ATOM 0 HG21 VAL A 13 1.417 -13.673 -6.877 1.00 63.44 H new ATOM 0 HG22 VAL A 13 0.748 -13.179 -8.450 1.00 63.44 H new ATOM 0 HG23 VAL A 13 -0.327 -13.359 -7.043 1.00 63.44 H new ATOM 186 N ALA A 14 -2.178 -17.219 -8.000 1.00 43.44 N ATOM 187 CA ALA A 14 -2.658 -18.594 -7.955 1.00 64.23 C ATOM 188 C ALA A 14 -3.448 -18.941 -9.212 1.00 72.33 C ATOM 189 O ALA A 14 -3.141 -19.914 -9.902 1.00 21.13 O ATOM 190 CB ALA A 14 -3.511 -18.815 -6.715 1.00 62.20 C ATOM 0 H ALA A 14 -2.574 -16.610 -7.284 1.00 43.44 H new ATOM 0 HA ALA A 14 -1.792 -19.254 -7.909 1.00 64.23 H new ATOM 0 HB1 ALA A 14 -3.863 -19.846 -6.694 1.00 62.20 H new ATOM 0 HB2 ALA A 14 -2.916 -18.617 -5.824 1.00 62.20 H new ATOM 0 HB3 ALA A 14 -4.367 -18.140 -6.737 1.00 62.20 H new ATOM 196 N TYR A 15 -4.467 -18.141 -9.504 1.00 53.02 N ATOM 197 CA TYR A 15 -5.304 -18.366 -10.677 1.00 11.21 C ATOM 198 C TYR A 15 -4.503 -18.177 -11.962 1.00 34.12 C ATOM 199 O TYR A 15 -4.829 -18.754 -12.999 1.00 63.42 O ATOM 200 CB TYR A 15 -6.502 -17.414 -10.665 1.00 23.43 C ATOM 201 CG TYR A 15 -7.656 -17.883 -11.522 1.00 42.41 C ATOM 202 CD1 TYR A 15 -7.711 -17.575 -12.876 1.00 12.12 C ATOM 203 CD2 TYR A 15 -8.691 -18.634 -10.978 1.00 45.12 C ATOM 204 CE1 TYR A 15 -8.764 -18.000 -13.662 1.00 71.14 C ATOM 205 CE2 TYR A 15 -9.747 -19.065 -11.758 1.00 3.43 C ATOM 206 CZ TYR A 15 -9.779 -18.745 -13.099 1.00 12.20 C ATOM 207 OH TYR A 15 -10.829 -19.171 -13.880 1.00 31.45 O ATOM 0 H TYR A 15 -4.734 -17.331 -8.945 1.00 53.02 H new ATOM 0 HA TYR A 15 -5.665 -19.394 -10.643 1.00 11.21 H new ATOM 0 HB2 TYR A 15 -6.848 -17.292 -9.639 1.00 23.43 H new ATOM 0 HB3 TYR A 15 -6.179 -16.432 -11.011 1.00 23.43 H new ATOM 0 HD1 TYR A 15 -6.917 -16.994 -13.321 1.00 12.12 H new ATOM 0 HD2 TYR A 15 -8.670 -18.885 -9.928 1.00 45.12 H new ATOM 0 HE1 TYR A 15 -8.793 -17.750 -14.712 1.00 71.14 H new ATOM 0 HE2 TYR A 15 -10.543 -19.649 -11.320 1.00 3.43 H new ATOM 0 HH TYR A 15 -11.458 -19.684 -13.331 1.00 31.45 H new ATOM 217 N TRP A 16 -3.455 -17.366 -11.884 1.00 10.34 N ATOM 218 CA TRP A 16 -2.606 -17.100 -13.040 1.00 32.54 C ATOM 219 C TRP A 16 -1.660 -18.267 -13.299 1.00 60.54 C ATOM 220 O TRP A 16 -1.673 -18.862 -14.377 1.00 72.03 O ATOM 221 CB TRP A 16 -1.804 -15.816 -12.825 1.00 54.34 C ATOM 222 CG TRP A 16 -1.085 -15.352 -14.056 1.00 20.31 C ATOM 223 CD1 TRP A 16 -0.053 -15.984 -14.689 1.00 21.43 C ATOM 224 CD2 TRP A 16 -1.343 -14.157 -14.800 1.00 41.13 C ATOM 225 NE1 TRP A 16 0.346 -15.254 -15.782 1.00 4.33 N ATOM 226 CE2 TRP A 16 -0.430 -14.129 -15.873 1.00 3.34 C ATOM 227 CE3 TRP A 16 -2.257 -13.109 -14.667 1.00 13.31 C ATOM 228 CZ2 TRP A 16 -0.406 -13.093 -16.803 1.00 0.24 C ATOM 229 CZ3 TRP A 16 -2.232 -12.081 -15.591 1.00 32.24 C ATOM 230 CH2 TRP A 16 -1.312 -12.080 -16.648 1.00 15.53 C ATOM 0 H TRP A 16 -3.172 -16.881 -11.033 1.00 10.34 H new ATOM 0 HA TRP A 16 -3.249 -16.976 -13.911 1.00 32.54 H new ATOM 0 HB2 TRP A 16 -2.477 -15.028 -12.487 1.00 54.34 H new ATOM 0 HB3 TRP A 16 -1.078 -15.979 -12.028 1.00 54.34 H new ATOM 0 HD1 TRP A 16 0.385 -16.920 -14.376 1.00 21.43 H new ATOM 0 HE1 TRP A 16 1.098 -15.508 -16.422 1.00 4.33 H new ATOM 0 HE3 TRP A 16 -2.971 -13.102 -13.856 1.00 13.31 H new ATOM 0 HZ2 TRP A 16 0.303 -13.089 -17.618 1.00 0.24 H new ATOM 0 HZ3 TRP A 16 -2.933 -11.265 -15.497 1.00 32.24 H new ATOM 0 HH2 TRP A 16 -1.318 -11.263 -17.354 1.00 15.53 H new ATOM 241 N VAL A 17 -0.839 -18.591 -12.305 1.00 73.21 N ATOM 242 CA VAL A 17 0.113 -19.689 -12.426 1.00 51.42 C ATOM 243 C VAL A 17 -0.589 -20.985 -12.815 1.00 11.13 C ATOM 244 O VAL A 17 -0.167 -21.679 -13.738 1.00 62.24 O ATOM 245 CB VAL A 17 0.885 -19.910 -11.112 1.00 12.32 C ATOM 246 CG1 VAL A 17 1.810 -21.111 -11.231 1.00 73.31 C ATOM 247 CG2 VAL A 17 1.667 -18.660 -10.737 1.00 14.21 C ATOM 0 H VAL A 17 -0.814 -18.109 -11.407 1.00 73.21 H new ATOM 0 HA VAL A 17 0.818 -19.412 -13.210 1.00 51.42 H new ATOM 0 HB VAL A 17 0.166 -20.113 -10.319 1.00 12.32 H new ATOM 0 HG11 VAL A 17 2.347 -21.251 -10.293 1.00 73.31 H new ATOM 0 HG12 VAL A 17 1.222 -22.003 -11.449 1.00 73.31 H new ATOM 0 HG13 VAL A 17 2.525 -20.941 -12.036 1.00 73.31 H new ATOM 0 HG21 VAL A 17 2.207 -18.834 -9.806 1.00 14.21 H new ATOM 0 HG22 VAL A 17 2.377 -18.424 -11.529 1.00 14.21 H new ATOM 0 HG23 VAL A 17 0.978 -17.825 -10.607 1.00 14.21 H new ATOM 257 N GLY A 18 -1.665 -21.305 -12.102 1.00 72.54 N ATOM 258 CA GLY A 18 -2.410 -22.518 -12.388 1.00 24.12 C ATOM 259 C GLY A 18 -3.022 -22.510 -13.775 1.00 3.35 C ATOM 260 O GLY A 18 -3.166 -23.558 -14.405 1.00 5.34 O ATOM 0 H GLY A 18 -2.034 -20.747 -11.332 1.00 72.54 H new ATOM 0 HA2 GLY A 18 -1.748 -23.378 -12.292 1.00 24.12 H new ATOM 0 HA3 GLY A 18 -3.200 -22.639 -11.647 1.00 24.12 H new ATOM 264 N LYS A 19 -3.385 -21.324 -14.252 1.00 33.21 N ATOM 265 CA LYS A 19 -3.986 -21.182 -15.573 1.00 31.32 C ATOM 266 C LYS A 19 -2.928 -21.292 -16.666 1.00 54.13 C ATOM 267 O LYS A 19 -3.169 -21.882 -17.719 1.00 13.00 O ATOM 268 CB LYS A 19 -4.712 -19.840 -15.684 1.00 15.12 C ATOM 269 CG LYS A 19 -5.314 -19.585 -17.055 1.00 33.51 C ATOM 270 CD LYS A 19 -6.378 -20.615 -17.397 1.00 30.32 C ATOM 271 CE LYS A 19 -7.760 -19.985 -17.474 1.00 10.32 C ATOM 272 NZ LYS A 19 -8.841 -21.008 -17.415 1.00 4.32 N ATOM 0 H LYS A 19 -3.273 -20.447 -13.743 1.00 33.21 H new ATOM 0 HA LYS A 19 -4.706 -21.989 -15.706 1.00 31.32 H new ATOM 0 HB2 LYS A 19 -5.504 -19.802 -14.936 1.00 15.12 H new ATOM 0 HB3 LYS A 19 -4.013 -19.038 -15.449 1.00 15.12 H new ATOM 0 HG2 LYS A 19 -5.751 -18.587 -17.082 1.00 33.51 H new ATOM 0 HG3 LYS A 19 -4.527 -19.609 -17.809 1.00 33.51 H new ATOM 0 HD2 LYS A 19 -6.138 -21.085 -18.351 1.00 30.32 H new ATOM 0 HD3 LYS A 19 -6.378 -21.403 -16.644 1.00 30.32 H new ATOM 0 HE2 LYS A 19 -7.883 -19.279 -16.653 1.00 10.32 H new ATOM 0 HE3 LYS A 19 -7.849 -19.416 -18.400 1.00 10.32 H new ATOM 0 HZ1 LYS A 19 -9.767 -20.538 -17.470 1.00 4.32 H new ATOM 0 HZ2 LYS A 19 -8.739 -21.667 -18.213 1.00 4.32 H new ATOM 0 HZ3 LYS A 19 -8.773 -21.534 -16.520 1.00 4.32 H new ATOM 286 N ALA A 20 -1.756 -20.721 -16.409 1.00 13.21 N ATOM 287 CA ALA A 20 -0.661 -20.758 -17.370 1.00 0.21 C ATOM 288 C ALA A 20 -0.075 -22.161 -17.481 1.00 73.31 C ATOM 289 O ALA A 20 -0.157 -22.798 -18.532 1.00 53.04 O ATOM 290 CB ALA A 20 0.420 -19.762 -16.976 1.00 62.25 C ATOM 0 H ALA A 20 -1.541 -20.227 -15.543 1.00 13.21 H new ATOM 0 HA ALA A 20 -1.058 -20.480 -18.347 1.00 0.21 H new ATOM 0 HB1 ALA A 20 1.232 -19.800 -17.702 1.00 62.25 H new ATOM 0 HB2 ALA A 20 -0.001 -18.757 -16.955 1.00 62.25 H new ATOM 0 HB3 ALA A 20 0.805 -20.015 -15.988 1.00 62.25 H new ATOM 296 N LEU A 21 0.516 -22.638 -16.391 1.00 62.45 N ATOM 297 CA LEU A 21 1.117 -23.968 -16.367 1.00 11.43 C ATOM 298 C LEU A 21 0.107 -25.029 -16.791 1.00 63.31 C ATOM 299 O LEU A 21 0.470 -26.041 -17.390 1.00 53.11 O ATOM 300 CB LEU A 21 1.648 -24.283 -14.967 1.00 52.22 C ATOM 301 CG LEU A 21 0.610 -24.747 -13.945 1.00 23.25 C ATOM 302 CD1 LEU A 21 0.477 -26.262 -13.969 1.00 40.14 C ATOM 303 CD2 LEU A 21 0.983 -24.266 -12.550 1.00 43.40 C ATOM 0 H LEU A 21 0.592 -22.125 -15.513 1.00 62.45 H new ATOM 0 HA LEU A 21 1.946 -23.979 -17.075 1.00 11.43 H new ATOM 0 HB2 LEU A 21 2.412 -25.055 -15.055 1.00 52.22 H new ATOM 0 HB3 LEU A 21 2.139 -23.391 -14.577 1.00 52.22 H new ATOM 0 HG LEU A 21 -0.354 -24.313 -14.213 1.00 23.25 H new ATOM 0 HD11 LEU A 21 -0.266 -26.574 -13.235 1.00 40.14 H new ATOM 0 HD12 LEU A 21 0.164 -26.584 -14.962 1.00 40.14 H new ATOM 0 HD13 LEU A 21 1.438 -26.716 -13.727 1.00 40.14 H new ATOM 0 HD21 LEU A 21 0.233 -24.605 -11.835 1.00 43.40 H new ATOM 0 HD22 LEU A 21 1.957 -24.671 -12.274 1.00 43.40 H new ATOM 0 HD23 LEU A 21 1.027 -23.177 -12.540 1.00 43.40 H new ATOM 315 N GLY A 22 -1.163 -24.790 -16.478 1.00 24.23 N ATOM 316 CA GLY A 22 -2.205 -25.734 -16.836 1.00 54.31 C ATOM 317 C GLY A 22 -2.633 -25.602 -18.284 1.00 73.53 C ATOM 318 O GLY A 22 -3.220 -26.523 -18.851 1.00 31.42 O ATOM 0 H GLY A 22 -1.488 -23.960 -15.983 1.00 24.23 H new ATOM 0 HA2 GLY A 22 -1.849 -26.749 -16.656 1.00 54.31 H new ATOM 0 HA3 GLY A 22 -3.069 -25.580 -16.189 1.00 54.31 H new ATOM 322 N ASN A 23 -2.340 -24.453 -18.884 1.00 73.45 N ATOM 323 CA ASN A 23 -2.701 -24.204 -20.275 1.00 41.04 C ATOM 324 C ASN A 23 -1.896 -25.097 -21.215 1.00 2.13 C ATOM 325 O ASN A 23 -1.183 -25.999 -20.772 1.00 73.15 O ATOM 326 CB ASN A 23 -2.469 -22.733 -20.628 1.00 71.33 C ATOM 327 CG ASN A 23 -3.730 -22.052 -21.125 1.00 21.24 C ATOM 328 OD1 ASN A 23 -4.344 -22.491 -22.097 1.00 51.01 O ATOM 329 ND2 ASN A 23 -4.121 -20.973 -20.457 1.00 33.24 N ATOM 0 H ASN A 23 -1.854 -23.680 -18.429 1.00 73.45 H new ATOM 0 HA ASN A 23 -3.758 -24.438 -20.397 1.00 41.04 H new ATOM 0 HB2 ASN A 23 -2.097 -22.206 -19.750 1.00 71.33 H new ATOM 0 HB3 ASN A 23 -1.696 -22.663 -21.393 1.00 71.33 H new ATOM 0 HD21 ASN A 23 -4.962 -20.472 -20.744 1.00 33.24 H new ATOM 0 HD22 ASN A 23 -3.580 -20.645 -19.657 1.00 33.24 H new ATOM 336 N LEU A 24 -2.014 -24.839 -22.512 1.00 64.15 N ATOM 337 CA LEU A 24 -1.296 -25.619 -23.515 1.00 53.35 C ATOM 338 C LEU A 24 -1.331 -24.924 -24.873 1.00 14.42 C ATOM 339 O LEU A 24 -0.321 -24.854 -25.572 1.00 4.42 O ATOM 340 CB LEU A 24 -1.902 -27.019 -23.631 1.00 1.42 C ATOM 341 CG LEU A 24 -3.417 -27.080 -23.826 1.00 33.42 C ATOM 342 CD1 LEU A 24 -3.756 -27.469 -25.257 1.00 21.25 C ATOM 343 CD2 LEU A 24 -4.042 -28.060 -22.843 1.00 1.11 C ATOM 0 H LEU A 24 -2.599 -24.096 -22.895 1.00 64.15 H new ATOM 0 HA LEU A 24 -0.257 -25.704 -23.197 1.00 53.35 H new ATOM 0 HB2 LEU A 24 -1.427 -27.531 -24.468 1.00 1.42 H new ATOM 0 HB3 LEU A 24 -1.649 -27.579 -22.731 1.00 1.42 H new ATOM 0 HG LEU A 24 -3.829 -26.090 -23.633 1.00 33.42 H new ATOM 0 HD11 LEU A 24 -4.839 -27.507 -25.377 1.00 21.25 H new ATOM 0 HD12 LEU A 24 -3.341 -26.730 -25.943 1.00 21.25 H new ATOM 0 HD13 LEU A 24 -3.332 -28.448 -25.478 1.00 21.25 H new ATOM 0 HD21 LEU A 24 -5.121 -28.091 -22.996 1.00 1.11 H new ATOM 0 HD22 LEU A 24 -3.624 -29.054 -23.005 1.00 1.11 H new ATOM 0 HD23 LEU A 24 -3.829 -27.738 -21.824 1.00 1.11 H new ATOM 355 N SER A 25 -2.501 -24.409 -25.238 1.00 72.24 N ATOM 356 CA SER A 25 -2.669 -23.721 -26.513 1.00 4.42 C ATOM 357 C SER A 25 -1.612 -22.633 -26.686 1.00 33.34 C ATOM 358 O SER A 25 -1.200 -22.325 -27.804 1.00 61.30 O ATOM 359 CB SER A 25 -4.067 -23.108 -26.606 1.00 14.14 C ATOM 360 OG SER A 25 -4.700 -23.462 -27.823 1.00 65.15 O ATOM 0 H SER A 25 -3.346 -24.455 -24.669 1.00 72.24 H new ATOM 0 HA SER A 25 -2.547 -24.453 -27.311 1.00 4.42 H new ATOM 0 HB2 SER A 25 -4.673 -23.447 -25.766 1.00 14.14 H new ATOM 0 HB3 SER A 25 -3.997 -22.023 -26.531 1.00 14.14 H new ATOM 0 HG SER A 25 -5.593 -23.059 -27.857 1.00 65.15 H new ATOM 366 N ASP A 26 -1.179 -22.056 -25.571 1.00 11.15 N ATOM 367 CA ASP A 26 -0.170 -21.003 -25.597 1.00 20.43 C ATOM 368 C ASP A 26 1.068 -21.456 -26.365 1.00 74.13 C ATOM 369 O ASP A 26 1.465 -20.829 -27.348 1.00 31.53 O ATOM 370 CB ASP A 26 0.217 -20.603 -24.172 1.00 62.13 C ATOM 371 CG ASP A 26 -0.991 -20.390 -23.282 1.00 33.31 C ATOM 372 OD1 ASP A 26 -2.077 -20.085 -23.819 1.00 24.34 O ATOM 373 OD2 ASP A 26 -0.851 -20.528 -22.048 1.00 55.24 O ATOM 0 H ASP A 26 -1.511 -22.299 -24.638 1.00 11.15 H new ATOM 0 HA ASP A 26 -0.596 -20.138 -26.106 1.00 20.43 H new ATOM 0 HB2 ASP A 26 0.851 -21.377 -23.740 1.00 62.13 H new ATOM 0 HB3 ASP A 26 0.808 -19.688 -24.203 1.00 62.13 H new ATOM 378 N VAL A 27 1.674 -22.548 -25.911 1.00 32.34 N ATOM 379 CA VAL A 27 2.866 -23.085 -26.555 1.00 63.21 C ATOM 380 C VAL A 27 2.658 -23.236 -28.058 1.00 2.31 C ATOM 381 O VAL A 27 3.597 -23.099 -28.841 1.00 53.43 O ATOM 382 CB VAL A 27 3.257 -24.452 -25.963 1.00 23.14 C ATOM 383 CG1 VAL A 27 4.572 -24.935 -26.556 1.00 72.32 C ATOM 384 CG2 VAL A 27 3.346 -24.369 -24.446 1.00 60.33 C ATOM 0 H VAL A 27 1.359 -23.078 -25.099 1.00 32.34 H new ATOM 0 HA VAL A 27 3.672 -22.374 -26.372 1.00 63.21 H new ATOM 0 HB VAL A 27 2.483 -25.175 -26.221 1.00 23.14 H new ATOM 0 HG11 VAL A 27 4.832 -25.902 -26.126 1.00 72.32 H new ATOM 0 HG12 VAL A 27 4.469 -25.035 -27.637 1.00 72.32 H new ATOM 0 HG13 VAL A 27 5.359 -24.215 -26.331 1.00 72.32 H new ATOM 0 HG21 VAL A 27 3.623 -25.343 -24.044 1.00 60.33 H new ATOM 0 HG22 VAL A 27 4.099 -23.633 -24.165 1.00 60.33 H new ATOM 0 HG23 VAL A 27 2.379 -24.071 -24.041 1.00 60.33 H new ATOM 394 N ASN A 28 1.421 -23.518 -28.453 1.00 61.21 N ATOM 395 CA ASN A 28 1.089 -23.688 -29.863 1.00 41.41 C ATOM 396 C ASN A 28 1.278 -22.381 -30.627 1.00 52.41 C ATOM 397 O ASN A 28 1.780 -22.375 -31.751 1.00 12.33 O ATOM 398 CB ASN A 28 -0.353 -24.176 -30.014 1.00 11.22 C ATOM 399 CG ASN A 28 -0.437 -25.532 -30.686 1.00 61.35 C ATOM 400 OD1 ASN A 28 -1.185 -26.408 -30.252 1.00 31.02 O ATOM 401 ND2 ASN A 28 0.333 -25.712 -31.753 1.00 62.13 N ATOM 0 H ASN A 28 0.632 -23.634 -27.817 1.00 61.21 H new ATOM 0 HA ASN A 28 1.764 -24.435 -30.282 1.00 41.41 H new ATOM 0 HB2 ASN A 28 -0.820 -24.231 -29.031 1.00 11.22 H new ATOM 0 HB3 ASN A 28 -0.920 -23.450 -30.596 1.00 11.22 H new ATOM 0 HD21 ASN A 28 0.319 -26.604 -32.247 1.00 62.13 H new ATOM 0 HD22 ASN A 28 0.938 -24.958 -32.078 1.00 62.13 H new ATOM 408 N GLN A 29 0.872 -21.276 -30.009 1.00 23.22 N ATOM 409 CA GLN A 29 0.997 -19.963 -30.631 1.00 71.40 C ATOM 410 C GLN A 29 2.462 -19.557 -30.757 1.00 75.40 C ATOM 411 O GLN A 29 2.884 -19.033 -31.787 1.00 51.00 O ATOM 412 CB GLN A 29 0.233 -18.916 -29.819 1.00 22.13 C ATOM 413 CG GLN A 29 -1.139 -19.383 -29.361 1.00 31.21 C ATOM 414 CD GLN A 29 -2.019 -19.826 -30.513 1.00 53.11 C ATOM 415 OE1 GLN A 29 -1.752 -21.015 -31.040 1.00 1.15 O flip ATOM 416 NE2 GLN A 29 -2.930 -19.107 -30.926 1.00 23.01 N flip ATOM 0 H GLN A 29 0.454 -21.264 -29.079 1.00 23.22 H new ATOM 0 HA GLN A 29 0.568 -20.021 -31.631 1.00 71.40 H new ATOM 0 HB2 GLN A 29 0.825 -18.643 -28.945 1.00 22.13 H new ATOM 0 HB3 GLN A 29 0.118 -18.014 -30.421 1.00 22.13 H new ATOM 0 HG2 GLN A 29 -1.022 -20.209 -28.660 1.00 31.21 H new ATOM 0 HG3 GLN A 29 -1.633 -18.574 -28.822 1.00 31.21 H new ATOM 0 HE21 GLN A 29 -3.101 -18.200 -30.492 1.00 23.01 H new ATOM 0 HE22 GLN A 29 -3.514 -19.419 -31.702 1.00 23.01 H new ATOM 425 N ALA A 30 3.231 -19.803 -29.702 1.00 65.30 N ATOM 426 CA ALA A 30 4.649 -19.465 -29.696 1.00 2.25 C ATOM 427 C ALA A 30 5.395 -20.202 -30.803 1.00 54.31 C ATOM 428 O ALA A 30 6.248 -19.627 -31.478 1.00 65.14 O ATOM 429 CB ALA A 30 5.262 -19.786 -28.340 1.00 42.53 C ATOM 0 H ALA A 30 2.896 -20.235 -28.841 1.00 65.30 H new ATOM 0 HA ALA A 30 4.742 -18.395 -29.882 1.00 2.25 H new ATOM 0 HB1 ALA A 30 6.321 -19.529 -28.349 1.00 42.53 H new ATOM 0 HB2 ALA A 30 4.755 -19.209 -27.566 1.00 42.53 H new ATOM 0 HB3 ALA A 30 5.149 -20.850 -28.132 1.00 42.53 H new ATOM 435 N SER A 31 5.067 -21.477 -30.984 1.00 34.02 N ATOM 436 CA SER A 31 5.709 -22.294 -32.007 1.00 12.20 C ATOM 437 C SER A 31 5.296 -21.839 -33.404 1.00 1.35 C ATOM 438 O SER A 31 6.011 -22.067 -34.379 1.00 61.43 O ATOM 439 CB SER A 31 5.350 -23.768 -31.812 1.00 20.21 C ATOM 440 OG SER A 31 6.501 -24.538 -31.510 1.00 1.52 O ATOM 0 H SER A 31 4.360 -21.967 -30.435 1.00 34.02 H new ATOM 0 HA SER A 31 6.788 -22.174 -31.909 1.00 12.20 H new ATOM 0 HB2 SER A 31 4.622 -23.865 -31.006 1.00 20.21 H new ATOM 0 HB3 SER A 31 4.878 -24.153 -32.716 1.00 20.21 H new ATOM 0 HG SER A 31 6.244 -25.476 -31.388 1.00 1.52 H new ATOM 446 N ARG A 32 4.138 -21.193 -33.490 1.00 74.34 N ATOM 447 CA ARG A 32 3.628 -20.707 -34.767 1.00 10.33 C ATOM 448 C ARG A 32 4.285 -19.383 -35.145 1.00 43.34 C ATOM 449 O ARG A 32 4.672 -19.177 -36.296 1.00 60.43 O ATOM 450 CB ARG A 32 2.109 -20.534 -34.701 1.00 64.23 C ATOM 451 CG ARG A 32 1.524 -19.826 -35.912 1.00 62.23 C ATOM 452 CD ARG A 32 0.005 -19.786 -35.854 1.00 61.11 C ATOM 453 NE ARG A 32 -0.515 -18.435 -36.048 1.00 24.21 N ATOM 454 CZ ARG A 32 -1.783 -18.171 -36.339 1.00 53.43 C ATOM 455 NH1 ARG A 32 -2.657 -19.159 -36.469 1.00 72.34 N ATOM 456 NH2 ARG A 32 -2.180 -16.915 -36.501 1.00 14.23 N ATOM 0 H ARG A 32 3.535 -20.994 -32.691 1.00 74.34 H new ATOM 0 HA ARG A 32 3.870 -21.445 -35.532 1.00 10.33 H new ATOM 0 HB2 ARG A 32 1.644 -21.515 -34.604 1.00 64.23 H new ATOM 0 HB3 ARG A 32 1.855 -19.971 -33.803 1.00 64.23 H new ATOM 0 HG2 ARG A 32 1.914 -18.810 -35.964 1.00 62.23 H new ATOM 0 HG3 ARG A 32 1.841 -20.336 -36.822 1.00 62.23 H new ATOM 0 HD2 ARG A 32 -0.404 -20.445 -36.619 1.00 61.11 H new ATOM 0 HD3 ARG A 32 -0.331 -20.169 -34.890 1.00 61.11 H new ATOM 0 HE ARG A 32 0.131 -17.652 -35.955 1.00 24.21 H new ATOM 0 HH11 ARG A 32 -2.356 -20.126 -36.345 1.00 72.34 H new ATOM 0 HH12 ARG A 32 -3.631 -18.953 -36.693 1.00 72.34 H new ATOM 0 HH21 ARG A 32 -1.511 -16.152 -36.402 1.00 14.23 H new ATOM 0 HH22 ARG A 32 -3.154 -16.713 -36.725 1.00 14.23 H new ATOM 470 N ILE A 33 4.407 -18.489 -34.170 1.00 45.42 N ATOM 471 CA ILE A 33 5.018 -17.185 -34.401 1.00 61.44 C ATOM 472 C ILE A 33 6.502 -17.323 -34.725 1.00 72.21 C ATOM 473 O ILE A 33 7.083 -16.470 -35.394 1.00 61.35 O ATOM 474 CB ILE A 33 4.854 -16.262 -33.180 1.00 23.24 C ATOM 475 CG1 ILE A 33 3.372 -16.078 -32.847 1.00 22.41 C ATOM 476 CG2 ILE A 33 5.515 -14.917 -33.440 1.00 41.20 C ATOM 477 CD1 ILE A 33 3.127 -15.556 -31.448 1.00 60.55 C ATOM 0 H ILE A 33 4.091 -18.643 -33.212 1.00 45.42 H new ATOM 0 HA ILE A 33 4.502 -16.741 -35.253 1.00 61.44 H new ATOM 0 HB ILE A 33 5.344 -16.726 -32.324 1.00 23.24 H new ATOM 0 HG12 ILE A 33 2.929 -15.389 -33.566 1.00 22.41 H new ATOM 0 HG13 ILE A 33 2.860 -17.033 -32.964 1.00 22.41 H new ATOM 0 HG21 ILE A 33 5.390 -14.276 -32.568 1.00 41.20 H new ATOM 0 HG22 ILE A 33 6.578 -15.065 -33.633 1.00 41.20 H new ATOM 0 HG23 ILE A 33 5.051 -14.445 -34.306 1.00 41.20 H new ATOM 0 HD11 ILE A 33 2.055 -15.450 -31.282 1.00 60.55 H new ATOM 0 HD12 ILE A 33 3.540 -16.256 -30.721 1.00 60.55 H new ATOM 0 HD13 ILE A 33 3.610 -14.586 -31.332 1.00 60.55 H new ATOM 489 N ASN A 34 7.108 -18.405 -34.246 1.00 44.53 N ATOM 490 CA ASN A 34 8.525 -18.655 -34.486 1.00 30.41 C ATOM 491 C ASN A 34 8.783 -18.957 -35.959 1.00 54.31 C ATOM 492 O ASN A 34 9.622 -18.320 -36.596 1.00 11.10 O ATOM 493 CB ASN A 34 9.011 -19.821 -33.623 1.00 31.53 C ATOM 494 CG ASN A 34 10.082 -19.402 -32.634 1.00 71.23 C ATOM 495 OD1 ASN A 34 11.263 -19.696 -32.820 1.00 51.11 O ATOM 496 ND2 ASN A 34 9.673 -18.712 -31.576 1.00 53.22 N ATOM 0 H ASN A 34 6.641 -19.122 -33.690 1.00 44.53 H new ATOM 0 HA ASN A 34 9.078 -17.755 -34.216 1.00 30.41 H new ATOM 0 HB2 ASN A 34 8.166 -20.245 -33.081 1.00 31.53 H new ATOM 0 HB3 ASN A 34 9.403 -20.608 -34.268 1.00 31.53 H new ATOM 0 HD21 ASN A 34 10.348 -18.403 -30.877 1.00 53.22 H new ATOM 0 HD22 ASN A 34 8.684 -18.491 -31.463 1.00 53.22 H new ATOM 503 N ARG A 35 8.054 -19.931 -36.494 1.00 64.32 N ATOM 504 CA ARG A 35 8.204 -20.318 -37.892 1.00 1.40 C ATOM 505 C ARG A 35 7.683 -19.222 -38.818 1.00 34.54 C ATOM 506 O ARG A 35 8.118 -19.103 -39.963 1.00 51.11 O ATOM 507 CB ARG A 35 7.461 -21.627 -38.164 1.00 11.22 C ATOM 508 CG ARG A 35 5.990 -21.582 -37.784 1.00 53.04 C ATOM 509 CD ARG A 35 5.255 -22.827 -38.255 1.00 71.31 C ATOM 510 NE ARG A 35 4.802 -22.706 -39.638 1.00 43.13 N ATOM 511 CZ ARG A 35 3.848 -23.463 -40.169 1.00 3.04 C ATOM 512 NH1 ARG A 35 3.249 -24.391 -39.435 1.00 42.20 N ATOM 513 NH2 ARG A 35 3.491 -23.292 -41.435 1.00 65.42 N ATOM 0 H ARG A 35 7.354 -20.466 -35.981 1.00 64.32 H new ATOM 0 HA ARG A 35 9.266 -20.464 -38.091 1.00 1.40 H new ATOM 0 HB2 ARG A 35 7.547 -21.870 -39.223 1.00 11.22 H new ATOM 0 HB3 ARG A 35 7.946 -22.432 -37.612 1.00 11.22 H new ATOM 0 HG2 ARG A 35 5.895 -21.490 -36.702 1.00 53.04 H new ATOM 0 HG3 ARG A 35 5.527 -20.697 -38.221 1.00 53.04 H new ATOM 0 HD2 ARG A 35 5.912 -23.692 -38.163 1.00 71.31 H new ATOM 0 HD3 ARG A 35 4.397 -23.008 -37.607 1.00 71.31 H new ATOM 0 HE ARG A 35 5.242 -22.001 -40.229 1.00 43.13 H new ATOM 0 HH11 ARG A 35 3.520 -24.525 -38.461 1.00 42.20 H new ATOM 0 HH12 ARG A 35 2.517 -24.971 -39.845 1.00 42.20 H new ATOM 0 HH21 ARG A 35 3.949 -22.579 -42.002 1.00 65.42 H new ATOM 0 HH22 ARG A 35 2.758 -23.874 -41.841 1.00 65.42 H new ATOM 527 N LYS A 36 6.747 -18.425 -38.314 1.00 32.13 N ATOM 528 CA LYS A 36 6.165 -17.339 -39.093 1.00 43.15 C ATOM 529 C LYS A 36 7.186 -16.230 -39.327 1.00 41.04 C ATOM 530 O LYS A 36 7.346 -15.745 -40.448 1.00 31.12 O ATOM 531 CB LYS A 36 4.936 -16.773 -38.380 1.00 13.43 C ATOM 532 CG LYS A 36 3.619 -17.297 -38.927 1.00 25.45 C ATOM 533 CD LYS A 36 2.541 -16.227 -38.907 1.00 21.11 C ATOM 534 CE LYS A 36 1.396 -16.572 -39.847 1.00 43.01 C ATOM 535 NZ LYS A 36 0.433 -15.445 -39.985 1.00 42.43 N ATOM 0 H LYS A 36 6.375 -18.511 -37.368 1.00 32.13 H new ATOM 0 HA LYS A 36 5.863 -17.741 -40.060 1.00 43.15 H new ATOM 0 HB2 LYS A 36 5.000 -17.013 -37.319 1.00 13.43 H new ATOM 0 HB3 LYS A 36 4.947 -15.686 -38.462 1.00 13.43 H new ATOM 0 HG2 LYS A 36 3.763 -17.650 -39.948 1.00 25.45 H new ATOM 0 HG3 LYS A 36 3.294 -18.153 -38.336 1.00 25.45 H new ATOM 0 HD2 LYS A 36 2.159 -16.113 -37.893 1.00 21.11 H new ATOM 0 HD3 LYS A 36 2.973 -15.268 -39.194 1.00 21.11 H new ATOM 0 HE2 LYS A 36 1.796 -16.830 -40.828 1.00 43.01 H new ATOM 0 HE3 LYS A 36 0.873 -17.453 -39.474 1.00 43.01 H new ATOM 0 HZ1 LYS A 36 -0.332 -15.720 -40.634 1.00 42.43 H new ATOM 0 HZ2 LYS A 36 0.032 -15.215 -39.053 1.00 42.43 H new ATOM 0 HZ3 LYS A 36 0.926 -14.612 -40.365 1.00 42.43 H new ATOM 549 N LYS A 37 7.876 -15.833 -38.264 1.00 22.35 N ATOM 550 CA LYS A 37 8.884 -14.784 -38.353 1.00 2.54 C ATOM 551 C LYS A 37 10.142 -15.294 -39.049 1.00 34.22 C ATOM 552 O LYS A 37 10.690 -14.630 -39.928 1.00 43.12 O ATOM 553 CB LYS A 37 9.236 -14.266 -36.956 1.00 21.10 C ATOM 554 CG LYS A 37 10.094 -13.013 -36.970 1.00 64.10 C ATOM 555 CD LYS A 37 9.855 -12.159 -35.736 1.00 21.51 C ATOM 556 CE LYS A 37 10.463 -12.793 -34.494 1.00 11.22 C ATOM 557 NZ LYS A 37 9.419 -13.219 -33.521 1.00 71.33 N ATOM 0 H LYS A 37 7.755 -16.223 -37.329 1.00 22.35 H new ATOM 0 HA LYS A 37 8.470 -13.967 -38.944 1.00 2.54 H new ATOM 0 HB2 LYS A 37 8.315 -14.059 -36.412 1.00 21.10 H new ATOM 0 HB3 LYS A 37 9.761 -15.049 -36.409 1.00 21.10 H new ATOM 0 HG2 LYS A 37 11.146 -13.292 -37.022 1.00 64.10 H new ATOM 0 HG3 LYS A 37 9.874 -12.431 -37.865 1.00 64.10 H new ATOM 0 HD2 LYS A 37 10.285 -11.169 -35.888 1.00 21.51 H new ATOM 0 HD3 LYS A 37 8.784 -12.022 -35.589 1.00 21.51 H new ATOM 0 HE2 LYS A 37 11.063 -13.656 -34.783 1.00 11.22 H new ATOM 0 HE3 LYS A 37 11.137 -12.082 -34.016 1.00 11.22 H new ATOM 0 HZ1 LYS A 37 9.874 -13.646 -32.689 1.00 71.33 H new ATOM 0 HZ2 LYS A 37 8.862 -12.392 -33.225 1.00 71.33 H new ATOM 0 HZ3 LYS A 37 8.791 -13.917 -33.969 1.00 71.33 H new ATOM 571 N LYS A 38 10.593 -16.479 -38.651 1.00 11.10 N ATOM 572 CA LYS A 38 11.784 -17.081 -39.238 1.00 40.00 C ATOM 573 C LYS A 38 11.465 -17.712 -40.590 1.00 10.23 C ATOM 574 O LYS A 38 12.344 -18.267 -41.250 1.00 11.20 O ATOM 575 CB LYS A 38 12.365 -18.137 -38.295 1.00 34.02 C ATOM 576 CG LYS A 38 12.673 -17.608 -36.905 1.00 14.42 C ATOM 577 CD LYS A 38 12.813 -18.736 -35.897 1.00 14.23 C ATOM 578 CE LYS A 38 14.199 -19.360 -35.948 1.00 13.04 C ATOM 579 NZ LYS A 38 14.141 -20.813 -36.270 1.00 44.42 N ATOM 0 H LYS A 38 10.151 -17.042 -37.924 1.00 11.10 H new ATOM 0 HA LYS A 38 12.522 -16.293 -39.389 1.00 40.00 H new ATOM 0 HB2 LYS A 38 11.661 -18.965 -38.212 1.00 34.02 H new ATOM 0 HB3 LYS A 38 13.279 -18.539 -38.732 1.00 34.02 H new ATOM 0 HG2 LYS A 38 13.595 -17.027 -36.932 1.00 14.42 H new ATOM 0 HG3 LYS A 38 11.879 -16.932 -36.588 1.00 14.42 H new ATOM 0 HD2 LYS A 38 12.621 -18.355 -34.894 1.00 14.23 H new ATOM 0 HD3 LYS A 38 12.061 -19.500 -36.097 1.00 14.23 H new ATOM 0 HE2 LYS A 38 14.802 -18.846 -36.697 1.00 13.04 H new ATOM 0 HE3 LYS A 38 14.696 -19.220 -34.988 1.00 13.04 H new ATOM 0 HZ1 LYS A 38 15.105 -21.202 -36.296 1.00 44.42 H new ATOM 0 HZ2 LYS A 38 13.587 -21.308 -35.542 1.00 44.42 H new ATOM 0 HZ3 LYS A 38 13.690 -20.945 -37.198 1.00 44.42 H new ATOM 593 N HIS A 39 10.203 -17.622 -40.997 1.00 13.24 N ATOM 594 CA HIS A 39 9.769 -18.182 -42.271 1.00 75.33 C ATOM 595 C HIS A 39 10.121 -19.664 -42.362 1.00 10.05 C ATOM 596 O HIS A 39 10.507 -20.281 -41.368 1.00 62.44 O ATOM 597 CB HIS A 39 10.411 -17.422 -43.432 1.00 14.21 C ATOM 598 CG HIS A 39 9.918 -17.856 -44.778 1.00 15.40 C ATOM 599 ND1 HIS A 39 10.758 -18.266 -45.791 1.00 22.20 N ATOM 600 CD2 HIS A 39 8.661 -17.943 -45.275 1.00 25.12 C ATOM 601 CE1 HIS A 39 10.041 -18.586 -46.853 1.00 53.32 C ATOM 602 NE2 HIS A 39 8.765 -18.399 -46.566 1.00 1.01 N ATOM 0 H HIS A 39 9.463 -17.166 -40.463 1.00 13.24 H new ATOM 0 HA HIS A 39 8.686 -18.079 -42.334 1.00 75.33 H new ATOM 0 HB2 HIS A 39 10.217 -16.356 -43.309 1.00 14.21 H new ATOM 0 HB3 HIS A 39 11.492 -17.556 -43.390 1.00 14.21 H new ATOM 0 HD2 HIS A 39 7.747 -17.699 -44.753 1.00 25.12 H new ATOM 0 HE1 HIS A 39 10.431 -18.940 -47.796 1.00 53.32 H new ATOM 0 HE2 HIS A 39 7.984 -18.566 -47.200 1.00 1.01 H new TER 610 HIS A 39