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+ 137:sc= -1.08 (180deg=-4.87!) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,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 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.511 X(o=-0.51,f=-0.1) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.0265 F(o=-2.6!,f=-0.027) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0209 X(o=-0.021,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) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.825 -5.058 -13.609 1.00 73.23 N ATOM 2 CA GLY A 1 -2.733 -4.150 -13.907 1.00 32.10 C ATOM 3 C GLY A 1 -1.500 -4.872 -14.412 1.00 70.24 C ATOM 4 O GLY A 1 -1.568 -5.632 -15.379 1.00 41.24 O ATOM 0 H1 GLY A 1 -4.273 -4.780 -12.712 1.00 73.23 H new ATOM 0 H2 GLY A 1 -4.528 -5.018 -14.374 1.00 73.23 H new ATOM 0 H3 GLY A 1 -3.458 -6.028 -13.527 1.00 73.23 H new ATOM 0 HA2 GLY A 1 -3.059 -3.428 -14.655 1.00 32.10 H new ATOM 0 HA3 GLY A 1 -2.478 -3.586 -13.010 1.00 32.10 H new ATOM 8 N THR A 2 -0.367 -4.635 -13.758 1.00 52.22 N ATOM 9 CA THR A 2 0.887 -5.266 -14.148 1.00 43.23 C ATOM 10 C THR A 2 1.977 -5.010 -13.113 1.00 52.53 C ATOM 11 O THR A 2 2.341 -5.902 -12.348 1.00 65.55 O ATOM 12 CB THR A 2 1.369 -4.758 -15.520 1.00 52.44 C ATOM 13 OG1 THR A 2 0.702 -3.534 -15.851 1.00 71.54 O ATOM 14 CG2 THR A 2 1.107 -5.793 -16.603 1.00 73.24 C ATOM 0 H THR A 2 -0.293 -4.010 -12.955 1.00 52.22 H new ATOM 0 HA THR A 2 0.695 -6.337 -14.212 1.00 43.23 H new ATOM 0 HB THR A 2 2.443 -4.582 -15.461 1.00 52.44 H new ATOM 0 HG1 THR A 2 1.015 -3.217 -16.724 1.00 71.54 H new ATOM 0 HG21 THR A 2 1.456 -5.412 -17.563 1.00 73.24 H new ATOM 0 HG22 THR A 2 1.639 -6.713 -16.363 1.00 73.24 H new ATOM 0 HG23 THR A 2 0.038 -5.997 -16.660 1.00 73.24 H new ATOM 22 N TRP A 3 2.492 -3.786 -13.094 1.00 52.44 N ATOM 23 CA TRP A 3 3.540 -3.412 -12.152 1.00 22.35 C ATOM 24 C TRP A 3 2.969 -3.216 -10.752 1.00 14.22 C ATOM 25 O TRP A 3 3.711 -3.018 -9.790 1.00 64.21 O ATOM 26 CB TRP A 3 4.239 -2.133 -12.615 1.00 21.04 C ATOM 27 CG TRP A 3 4.635 -2.162 -14.060 1.00 75.10 C ATOM 28 CD1 TRP A 3 5.089 -3.241 -14.764 1.00 4.53 C ATOM 29 CD2 TRP A 3 4.612 -1.063 -14.977 1.00 0.31 C ATOM 30 NE1 TRP A 3 5.351 -2.878 -16.063 1.00 10.30 N ATOM 31 CE2 TRP A 3 5.065 -1.547 -16.219 1.00 65.24 C ATOM 32 CE3 TRP A 3 4.251 0.283 -14.870 1.00 1.01 C ATOM 33 CZ2 TRP A 3 5.168 -0.732 -17.344 1.00 13.15 C ATOM 34 CZ3 TRP A 3 4.353 1.091 -15.986 1.00 64.13 C ATOM 35 CH2 TRP A 3 4.808 0.582 -17.210 1.00 73.51 C ATOM 0 H TRP A 3 2.201 -3.036 -13.720 1.00 52.44 H new ATOM 0 HA TRP A 3 4.268 -4.222 -12.117 1.00 22.35 H new ATOM 0 HB2 TRP A 3 3.577 -1.284 -12.444 1.00 21.04 H new ATOM 0 HB3 TRP A 3 5.128 -1.972 -12.005 1.00 21.04 H new ATOM 0 HD1 TRP A 3 5.222 -4.233 -14.359 1.00 4.53 H new ATOM 0 HE1 TRP A 3 5.701 -3.499 -16.793 1.00 10.30 H new ATOM 0 HE3 TRP A 3 3.898 0.684 -13.931 1.00 1.01 H new ATOM 0 HZ2 TRP A 3 5.519 -1.123 -18.288 1.00 13.15 H new ATOM 0 HZ3 TRP A 3 4.077 2.133 -15.914 1.00 64.13 H new ATOM 0 HH2 TRP A 3 4.876 1.239 -18.064 1.00 73.51 H new ATOM 46 N ASP A 4 1.646 -3.272 -10.644 1.00 53.45 N ATOM 47 CA ASP A 4 0.975 -3.101 -9.361 1.00 12.10 C ATOM 48 C ASP A 4 -0.294 -3.945 -9.295 1.00 13.23 C ATOM 49 O ASP A 4 -1.309 -3.516 -8.745 1.00 51.55 O ATOM 50 CB ASP A 4 0.635 -1.628 -9.131 1.00 1.52 C ATOM 51 CG ASP A 4 1.788 -0.856 -8.518 1.00 72.53 C ATOM 52 OD1 ASP A 4 1.883 -0.821 -7.273 1.00 43.24 O ATOM 53 OD2 ASP A 4 2.595 -0.289 -9.284 1.00 32.32 O ATOM 0 H ASP A 4 1.017 -3.435 -11.430 1.00 53.45 H new ATOM 0 HA ASP A 4 1.654 -3.436 -8.577 1.00 12.10 H new ATOM 0 HB2 ASP A 4 0.359 -1.169 -10.080 1.00 1.52 H new ATOM 0 HB3 ASP A 4 -0.234 -1.557 -8.477 1.00 1.52 H new ATOM 58 N ASP A 5 -0.230 -5.146 -9.859 1.00 0.14 N ATOM 59 CA ASP A 5 -1.374 -6.050 -9.864 1.00 21.32 C ATOM 60 C ASP A 5 -0.924 -7.494 -10.062 1.00 21.54 C ATOM 61 O ASP A 5 -1.220 -8.365 -9.243 1.00 14.14 O ATOM 62 CB ASP A 5 -2.359 -5.655 -10.965 1.00 11.32 C ATOM 63 CG ASP A 5 -3.578 -6.555 -11.002 1.00 70.31 C ATOM 64 OD1 ASP A 5 -3.454 -7.703 -11.479 1.00 22.00 O ATOM 65 OD2 ASP A 5 -4.656 -6.113 -10.554 1.00 0.25 O ATOM 0 H ASP A 5 0.602 -5.516 -10.319 1.00 0.14 H new ATOM 0 HA ASP A 5 -1.871 -5.972 -8.897 1.00 21.32 H new ATOM 0 HB2 ASP A 5 -2.677 -4.624 -10.811 1.00 11.32 H new ATOM 0 HB3 ASP A 5 -1.854 -5.692 -11.930 1.00 11.32 H new ATOM 70 N ILE A 6 -0.208 -7.741 -11.153 1.00 71.45 N ATOM 71 CA ILE A 6 0.282 -9.080 -11.458 1.00 43.33 C ATOM 72 C ILE A 6 1.339 -9.521 -10.451 1.00 12.20 C ATOM 73 O ILE A 6 1.582 -10.713 -10.272 1.00 75.51 O ATOM 74 CB ILE A 6 0.880 -9.151 -12.876 1.00 75.11 C ATOM 75 CG1 ILE A 6 -0.170 -8.754 -13.916 1.00 34.31 C ATOM 76 CG2 ILE A 6 1.410 -10.549 -13.158 1.00 12.03 C ATOM 77 CD1 ILE A 6 -1.344 -9.706 -13.983 1.00 14.23 C ATOM 0 H ILE A 6 0.046 -7.032 -11.841 1.00 71.45 H new ATOM 0 HA ILE A 6 -0.575 -9.751 -11.399 1.00 43.33 H new ATOM 0 HB ILE A 6 1.711 -8.449 -12.940 1.00 75.11 H new ATOM 0 HG12 ILE A 6 -0.537 -7.753 -13.687 1.00 34.31 H new ATOM 0 HG13 ILE A 6 0.303 -8.703 -14.897 1.00 34.31 H new ATOM 0 HG21 ILE A 6 1.829 -10.583 -14.164 1.00 12.03 H new ATOM 0 HG22 ILE A 6 2.185 -10.797 -12.433 1.00 12.03 H new ATOM 0 HG23 ILE A 6 0.596 -11.269 -13.080 1.00 12.03 H new ATOM 0 HD11 ILE A 6 -2.048 -9.363 -14.741 1.00 14.23 H new ATOM 0 HD12 ILE A 6 -0.989 -10.703 -14.243 1.00 14.23 H new ATOM 0 HD13 ILE A 6 -1.842 -9.739 -13.014 1.00 14.23 H new ATOM 89 N GLY A 7 1.964 -8.549 -9.793 1.00 51.11 N ATOM 90 CA GLY A 7 2.986 -8.857 -8.810 1.00 41.21 C ATOM 91 C GLY A 7 2.517 -8.612 -7.390 1.00 0.33 C ATOM 92 O GLY A 7 3.072 -9.167 -6.442 1.00 70.42 O ATOM 0 H GLY A 7 1.781 -7.554 -9.923 1.00 51.11 H new ATOM 0 HA2 GLY A 7 3.285 -9.900 -8.916 1.00 41.21 H new ATOM 0 HA3 GLY A 7 3.870 -8.250 -9.007 1.00 41.21 H new ATOM 96 N GLN A 8 1.494 -7.777 -7.242 1.00 13.42 N ATOM 97 CA GLN A 8 0.953 -7.458 -5.926 1.00 15.30 C ATOM 98 C GLN A 8 0.545 -8.726 -5.183 1.00 41.20 C ATOM 99 O GLN A 8 0.872 -8.902 -4.010 1.00 73.21 O ATOM 100 CB GLN A 8 -0.250 -6.522 -6.059 1.00 0.41 C ATOM 101 CG GLN A 8 -0.211 -5.342 -5.101 1.00 52.32 C ATOM 102 CD GLN A 8 -0.811 -5.669 -3.748 1.00 1.42 C ATOM 103 OE1 GLN A 8 -2.020 -5.553 -3.547 1.00 52.54 O ATOM 104 NE2 GLN A 8 0.034 -6.080 -2.810 1.00 32.53 N ATOM 0 H GLN A 8 1.023 -7.309 -8.017 1.00 13.42 H new ATOM 0 HA GLN A 8 1.733 -6.957 -5.352 1.00 15.30 H new ATOM 0 HB2 GLN A 8 -0.297 -6.148 -7.082 1.00 0.41 H new ATOM 0 HB3 GLN A 8 -1.163 -7.091 -5.885 1.00 0.41 H new ATOM 0 HG2 GLN A 8 0.822 -5.021 -4.968 1.00 52.32 H new ATOM 0 HG3 GLN A 8 -0.751 -4.504 -5.541 1.00 52.32 H new ATOM 0 HE21 GLN A 8 1.029 -6.162 -3.020 1.00 32.53 H new ATOM 0 HE22 GLN A 8 -0.312 -6.314 -1.879 1.00 32.53 H new ATOM 113 N GLY A 9 -0.171 -9.607 -5.875 1.00 14.13 N ATOM 114 CA GLY A 9 -0.612 -10.847 -5.264 1.00 32.40 C ATOM 115 C GLY A 9 -2.018 -10.751 -4.706 1.00 75.34 C ATOM 116 O GLY A 9 -2.274 -11.165 -3.575 1.00 51.20 O ATOM 0 H GLY A 9 -0.453 -9.484 -6.847 1.00 14.13 H new ATOM 0 HA2 GLY A 9 -0.572 -11.647 -6.003 1.00 32.40 H new ATOM 0 HA3 GLY A 9 0.076 -11.118 -4.463 1.00 32.40 H new ATOM 120 N ILE A 10 -2.932 -10.203 -5.501 1.00 21.34 N ATOM 121 CA ILE A 10 -4.319 -10.054 -5.079 1.00 52.10 C ATOM 122 C ILE A 10 -4.893 -11.382 -4.597 1.00 12.24 C ATOM 123 O ILE A 10 -5.644 -11.428 -3.624 1.00 34.55 O ATOM 124 CB ILE A 10 -5.199 -9.512 -6.221 1.00 12.43 C ATOM 125 CG1 ILE A 10 -4.633 -8.191 -6.747 1.00 33.02 C ATOM 126 CG2 ILE A 10 -6.632 -9.327 -5.743 1.00 60.43 C ATOM 127 CD1 ILE A 10 -4.546 -7.109 -5.694 1.00 12.33 C ATOM 0 H ILE A 10 -2.737 -9.855 -6.440 1.00 21.34 H new ATOM 0 HA ILE A 10 -4.324 -9.339 -4.256 1.00 52.10 H new ATOM 0 HB ILE A 10 -5.199 -10.236 -7.036 1.00 12.43 H new ATOM 0 HG12 ILE A 10 -3.639 -8.369 -7.157 1.00 33.02 H new ATOM 0 HG13 ILE A 10 -5.258 -7.839 -7.568 1.00 33.02 H new ATOM 0 HG21 ILE A 10 -7.242 -8.943 -6.561 1.00 60.43 H new ATOM 0 HG22 ILE A 10 -7.031 -10.285 -5.411 1.00 60.43 H new ATOM 0 HG23 ILE A 10 -6.651 -8.620 -4.914 1.00 60.43 H new ATOM 0 HD11 ILE A 10 -4.136 -6.202 -6.138 1.00 12.33 H new ATOM 0 HD12 ILE A 10 -5.542 -6.903 -5.301 1.00 12.33 H new ATOM 0 HD13 ILE A 10 -3.897 -7.441 -4.884 1.00 12.33 H new ATOM 139 N GLY A 11 -4.532 -12.461 -5.284 1.00 71.21 N ATOM 140 CA GLY A 11 -5.019 -13.776 -4.910 1.00 21.11 C ATOM 141 C GLY A 11 -4.385 -14.883 -5.729 1.00 34.54 C ATOM 142 O GLY A 11 -3.824 -15.829 -5.176 1.00 65.30 O ATOM 0 H GLY A 11 -3.911 -12.448 -6.093 1.00 71.21 H new ATOM 0 HA2 GLY A 11 -4.816 -13.948 -3.853 1.00 21.11 H new ATOM 0 HA3 GLY A 11 -6.101 -13.809 -5.036 1.00 21.11 H new ATOM 146 N ARG A 12 -4.477 -14.767 -7.049 1.00 71.43 N ATOM 147 CA ARG A 12 -3.911 -15.768 -7.945 1.00 62.34 C ATOM 148 C ARG A 12 -3.508 -15.141 -9.277 1.00 1.55 C ATOM 149 O ARG A 12 -3.494 -15.808 -10.311 1.00 12.01 O ATOM 150 CB ARG A 12 -4.916 -16.896 -8.185 1.00 21.42 C ATOM 151 CG ARG A 12 -4.343 -18.284 -7.944 1.00 14.44 C ATOM 152 CD ARG A 12 -5.220 -19.092 -7.000 1.00 11.32 C ATOM 153 NE ARG A 12 -4.972 -18.756 -5.600 1.00 71.22 N ATOM 154 CZ ARG A 12 -3.908 -19.172 -4.922 1.00 50.43 C ATOM 155 NH1 ARG A 12 -2.998 -19.934 -5.513 1.00 1.13 N ATOM 156 NH2 ARG A 12 -3.752 -18.824 -3.651 1.00 74.22 N ATOM 0 H ARG A 12 -4.938 -13.990 -7.522 1.00 71.43 H new ATOM 0 HA ARG A 12 -3.019 -16.179 -7.471 1.00 62.34 H new ATOM 0 HB2 ARG A 12 -5.777 -16.749 -7.533 1.00 21.42 H new ATOM 0 HB3 ARG A 12 -5.279 -16.835 -9.211 1.00 21.42 H new ATOM 0 HG2 ARG A 12 -4.248 -18.810 -8.894 1.00 14.44 H new ATOM 0 HG3 ARG A 12 -3.340 -18.197 -7.526 1.00 14.44 H new ATOM 0 HD2 ARG A 12 -6.269 -18.911 -7.236 1.00 11.32 H new ATOM 0 HD3 ARG A 12 -5.037 -20.155 -7.156 1.00 11.32 H new ATOM 0 HE ARG A 12 -5.653 -18.170 -5.117 1.00 71.22 H new ATOM 0 HH11 ARG A 12 -3.114 -20.202 -6.490 1.00 1.13 H new ATOM 0 HH12 ARG A 12 -2.182 -20.252 -4.990 1.00 1.13 H new ATOM 0 HH21 ARG A 12 -4.449 -18.237 -3.194 1.00 74.22 H new ATOM 0 HH22 ARG A 12 -2.935 -19.144 -3.131 1.00 74.22 H new ATOM 170 N VAL A 13 -3.181 -13.853 -9.243 1.00 2.54 N ATOM 171 CA VAL A 13 -2.777 -13.134 -10.446 1.00 31.44 C ATOM 172 C VAL A 13 -1.605 -13.827 -11.132 1.00 1.24 C ATOM 173 O VAL A 13 -1.545 -13.899 -12.359 1.00 35.44 O ATOM 174 CB VAL A 13 -2.384 -11.680 -10.126 1.00 12.14 C ATOM 175 CG1 VAL A 13 -3.607 -10.875 -9.713 1.00 41.43 C ATOM 176 CG2 VAL A 13 -1.320 -11.643 -9.039 1.00 41.33 C ATOM 0 H VAL A 13 -3.188 -13.286 -8.395 1.00 2.54 H new ATOM 0 HA VAL A 13 -3.636 -13.130 -11.116 1.00 31.44 H new ATOM 0 HB VAL A 13 -1.968 -11.228 -11.026 1.00 12.14 H new ATOM 0 HG11 VAL A 13 -3.310 -9.850 -9.491 1.00 41.43 H new ATOM 0 HG12 VAL A 13 -4.333 -10.874 -10.526 1.00 41.43 H new ATOM 0 HG13 VAL A 13 -4.055 -11.323 -8.826 1.00 41.43 H new ATOM 0 HG21 VAL A 13 -1.054 -10.608 -8.825 1.00 41.33 H new ATOM 0 HG22 VAL A 13 -1.707 -12.112 -8.135 1.00 41.33 H new ATOM 0 HG23 VAL A 13 -0.435 -12.182 -9.377 1.00 41.33 H new ATOM 186 N ALA A 14 -0.674 -14.335 -10.331 1.00 0.02 N ATOM 187 CA ALA A 14 0.496 -15.024 -10.861 1.00 30.35 C ATOM 188 C ALA A 14 0.095 -16.294 -11.604 1.00 23.12 C ATOM 189 O ALA A 14 0.403 -16.457 -12.785 1.00 14.21 O ATOM 190 CB ALA A 14 1.469 -15.353 -9.737 1.00 54.55 C ATOM 0 H ALA A 14 -0.707 -14.282 -9.313 1.00 0.02 H new ATOM 0 HA ALA A 14 0.988 -14.359 -11.570 1.00 30.35 H new ATOM 0 HB1 ALA A 14 2.338 -15.867 -10.147 1.00 54.55 H new ATOM 0 HB2 ALA A 14 1.789 -14.431 -9.251 1.00 54.55 H new ATOM 0 HB3 ALA A 14 0.978 -15.996 -9.007 1.00 54.55 H new ATOM 196 N TYR A 15 -0.591 -17.191 -10.905 1.00 72.20 N ATOM 197 CA TYR A 15 -1.031 -18.448 -11.498 1.00 72.33 C ATOM 198 C TYR A 15 -1.911 -18.196 -12.719 1.00 63.22 C ATOM 199 O TYR A 15 -1.850 -18.932 -13.704 1.00 42.13 O ATOM 200 CB TYR A 15 -1.795 -19.282 -10.469 1.00 34.51 C ATOM 201 CG TYR A 15 -1.058 -20.527 -10.030 1.00 63.31 C ATOM 202 CD1 TYR A 15 -0.738 -21.527 -10.941 1.00 10.33 C ATOM 203 CD2 TYR A 15 -0.680 -20.703 -8.705 1.00 25.33 C ATOM 204 CE1 TYR A 15 -0.065 -22.666 -10.544 1.00 1.20 C ATOM 205 CE2 TYR A 15 -0.005 -21.839 -8.299 1.00 43.42 C ATOM 206 CZ TYR A 15 0.300 -22.817 -9.222 1.00 72.14 C ATOM 207 OH TYR A 15 0.972 -23.950 -8.823 1.00 52.34 O ATOM 0 H TYR A 15 -0.854 -17.071 -9.927 1.00 72.20 H new ATOM 0 HA TYR A 15 -0.146 -18.999 -11.817 1.00 72.33 H new ATOM 0 HB2 TYR A 15 -2.001 -18.665 -9.595 1.00 34.51 H new ATOM 0 HB3 TYR A 15 -2.758 -19.570 -10.890 1.00 34.51 H new ATOM 0 HD1 TYR A 15 -1.020 -21.411 -11.977 1.00 10.33 H new ATOM 0 HD2 TYR A 15 -0.918 -19.939 -7.979 1.00 25.33 H new ATOM 0 HE1 TYR A 15 0.174 -23.434 -11.264 1.00 1.20 H new ATOM 0 HE2 TYR A 15 0.282 -21.960 -7.265 1.00 43.42 H new ATOM 0 HH TYR A 15 1.156 -23.900 -7.862 1.00 52.34 H new ATOM 217 N TRP A 16 -2.727 -17.151 -12.646 1.00 62.21 N ATOM 218 CA TRP A 16 -3.619 -16.800 -13.745 1.00 72.21 C ATOM 219 C TRP A 16 -2.829 -16.508 -15.016 1.00 30.11 C ATOM 220 O TRP A 16 -3.048 -17.135 -16.053 1.00 1.04 O ATOM 221 CB TRP A 16 -4.472 -15.587 -13.370 1.00 23.05 C ATOM 222 CG TRP A 16 -5.918 -15.919 -13.160 1.00 71.31 C ATOM 223 CD1 TRP A 16 -6.510 -16.302 -11.990 1.00 70.04 C ATOM 224 CD2 TRP A 16 -6.954 -15.900 -14.149 1.00 24.04 C ATOM 225 NE1 TRP A 16 -7.851 -16.522 -12.192 1.00 53.03 N ATOM 226 CE2 TRP A 16 -8.149 -16.281 -13.508 1.00 24.34 C ATOM 227 CE3 TRP A 16 -6.988 -15.596 -15.512 1.00 53.21 C ATOM 228 CZ2 TRP A 16 -9.362 -16.367 -14.185 1.00 41.12 C ATOM 229 CZ3 TRP A 16 -8.193 -15.682 -16.183 1.00 52.52 C ATOM 230 CH2 TRP A 16 -9.367 -16.064 -15.520 1.00 3.44 C ATOM 0 H TRP A 16 -2.790 -16.532 -11.838 1.00 62.21 H new ATOM 0 HA TRP A 16 -4.273 -17.651 -13.934 1.00 72.21 H new ATOM 0 HB2 TRP A 16 -4.074 -15.139 -12.459 1.00 23.05 H new ATOM 0 HB3 TRP A 16 -4.389 -14.837 -14.156 1.00 23.05 H new ATOM 0 HD1 TRP A 16 -5.999 -16.415 -11.045 1.00 70.04 H new ATOM 0 HE1 TRP A 16 -8.517 -16.817 -11.478 1.00 53.03 H new ATOM 0 HE3 TRP A 16 -6.089 -15.299 -16.032 1.00 53.21 H new ATOM 0 HZ2 TRP A 16 -10.267 -16.662 -13.675 1.00 41.12 H new ATOM 0 HZ3 TRP A 16 -8.231 -15.451 -17.237 1.00 52.52 H new ATOM 0 HH2 TRP A 16 -10.293 -16.120 -16.073 1.00 3.44 H new ATOM 241 N VAL A 17 -1.909 -15.552 -14.929 1.00 71.52 N ATOM 242 CA VAL A 17 -1.085 -15.178 -16.072 1.00 71.54 C ATOM 243 C VAL A 17 -0.409 -16.400 -16.685 1.00 45.41 C ATOM 244 O VAL A 17 -0.340 -16.537 -17.906 1.00 25.13 O ATOM 245 CB VAL A 17 -0.007 -14.153 -15.676 1.00 2.25 C ATOM 246 CG1 VAL A 17 0.853 -13.790 -16.877 1.00 0.13 C ATOM 247 CG2 VAL A 17 -0.648 -12.912 -15.074 1.00 54.52 C ATOM 0 H VAL A 17 -1.716 -15.023 -14.079 1.00 71.52 H new ATOM 0 HA VAL A 17 -1.751 -14.727 -16.808 1.00 71.54 H new ATOM 0 HB VAL A 17 0.638 -14.603 -14.921 1.00 2.25 H new ATOM 0 HG11 VAL A 17 1.609 -13.064 -16.577 1.00 0.13 H new ATOM 0 HG12 VAL A 17 1.342 -14.686 -17.259 1.00 0.13 H new ATOM 0 HG13 VAL A 17 0.225 -13.359 -17.657 1.00 0.13 H new ATOM 0 HG21 VAL A 17 0.129 -12.198 -14.800 1.00 54.52 H new ATOM 0 HG22 VAL A 17 -1.317 -12.457 -15.804 1.00 54.52 H new ATOM 0 HG23 VAL A 17 -1.215 -13.190 -14.186 1.00 54.52 H new ATOM 257 N GLY A 18 0.090 -17.286 -15.828 1.00 50.31 N ATOM 258 CA GLY A 18 0.755 -18.485 -16.304 1.00 13.24 C ATOM 259 C GLY A 18 -0.163 -19.370 -17.124 1.00 2.22 C ATOM 260 O GLY A 18 0.252 -19.942 -18.132 1.00 55.44 O ATOM 0 H GLY A 18 0.046 -17.195 -14.813 1.00 50.31 H new ATOM 0 HA2 GLY A 18 1.618 -18.203 -16.908 1.00 13.24 H new ATOM 0 HA3 GLY A 18 1.133 -19.050 -15.452 1.00 13.24 H new ATOM 264 N LYS A 19 -1.414 -19.485 -16.690 1.00 65.53 N ATOM 265 CA LYS A 19 -2.393 -20.308 -17.390 1.00 55.53 C ATOM 266 C LYS A 19 -2.876 -19.615 -18.661 1.00 32.31 C ATOM 267 O LYS A 19 -3.281 -20.271 -19.620 1.00 54.23 O ATOM 268 CB LYS A 19 -3.584 -20.607 -16.477 1.00 21.45 C ATOM 269 CG LYS A 19 -3.854 -22.091 -16.296 1.00 64.33 C ATOM 270 CD LYS A 19 -2.657 -22.806 -15.690 1.00 53.14 C ATOM 271 CE LYS A 19 -3.090 -23.967 -14.808 1.00 62.24 C ATOM 272 NZ LYS A 19 -3.483 -25.158 -15.612 1.00 52.51 N ATOM 0 H LYS A 19 -1.773 -19.019 -15.857 1.00 65.53 H new ATOM 0 HA LYS A 19 -1.911 -21.245 -17.668 1.00 55.53 H new ATOM 0 HB2 LYS A 19 -3.404 -20.157 -15.501 1.00 21.45 H new ATOM 0 HB3 LYS A 19 -4.475 -20.132 -16.888 1.00 21.45 H new ATOM 0 HG2 LYS A 19 -4.724 -22.228 -15.654 1.00 64.33 H new ATOM 0 HG3 LYS A 19 -4.096 -22.538 -17.260 1.00 64.33 H new ATOM 0 HD2 LYS A 19 -2.010 -23.174 -16.486 1.00 53.14 H new ATOM 0 HD3 LYS A 19 -2.069 -22.101 -15.102 1.00 53.14 H new ATOM 0 HE2 LYS A 19 -2.275 -24.236 -14.135 1.00 62.24 H new ATOM 0 HE3 LYS A 19 -3.929 -23.657 -14.185 1.00 62.24 H new ATOM 0 HZ1 LYS A 19 -3.772 -25.927 -14.974 1.00 52.51 H new ATOM 0 HZ2 LYS A 19 -4.277 -24.909 -16.236 1.00 52.51 H new ATOM 0 HZ3 LYS A 19 -2.675 -25.470 -16.188 1.00 52.51 H new ATOM 286 N ALA A 20 -2.828 -18.287 -18.660 1.00 74.14 N ATOM 287 CA ALA A 20 -3.257 -17.507 -19.814 1.00 55.14 C ATOM 288 C ALA A 20 -2.272 -17.647 -20.969 1.00 65.22 C ATOM 289 O ALA A 20 -2.654 -17.996 -22.087 1.00 12.01 O ATOM 290 CB ALA A 20 -3.420 -16.043 -19.431 1.00 63.42 C ATOM 0 H ALA A 20 -2.496 -17.729 -17.873 1.00 74.14 H new ATOM 0 HA ALA A 20 -4.221 -17.894 -20.144 1.00 55.14 H new ATOM 0 HB1 ALA A 20 -3.741 -15.472 -20.303 1.00 63.42 H new ATOM 0 HB2 ALA A 20 -4.168 -15.954 -18.644 1.00 63.42 H new ATOM 0 HB3 ALA A 20 -2.468 -15.653 -19.072 1.00 63.42 H new ATOM 296 N LEU A 21 -1.001 -17.373 -20.693 1.00 54.11 N ATOM 297 CA LEU A 21 0.040 -17.468 -21.710 1.00 24.01 C ATOM 298 C LEU A 21 0.115 -18.880 -22.283 1.00 13.41 C ATOM 299 O LEU A 21 0.532 -19.076 -23.423 1.00 71.44 O ATOM 300 CB LEU A 21 1.395 -17.073 -21.119 1.00 31.22 C ATOM 301 CG LEU A 21 2.102 -18.144 -20.286 1.00 54.53 C ATOM 302 CD1 LEU A 21 3.056 -18.950 -21.153 1.00 5.30 C ATOM 303 CD2 LEU A 21 2.844 -17.508 -19.120 1.00 43.01 C ATOM 0 H LEU A 21 -0.667 -17.083 -19.774 1.00 54.11 H new ATOM 0 HA LEU A 21 -0.212 -16.781 -22.518 1.00 24.01 H new ATOM 0 HB2 LEU A 21 2.055 -16.783 -21.937 1.00 31.22 H new ATOM 0 HB3 LEU A 21 1.253 -16.191 -20.495 1.00 31.22 H new ATOM 0 HG LEU A 21 1.349 -18.822 -19.884 1.00 54.53 H new ATOM 0 HD11 LEU A 21 3.550 -19.707 -20.544 1.00 5.30 H new ATOM 0 HD12 LEU A 21 2.498 -19.436 -21.953 1.00 5.30 H new ATOM 0 HD13 LEU A 21 3.805 -18.286 -21.584 1.00 5.30 H new ATOM 0 HD21 LEU A 21 3.341 -18.284 -18.538 1.00 43.01 H new ATOM 0 HD22 LEU A 21 3.587 -16.808 -19.500 1.00 43.01 H new ATOM 0 HD23 LEU A 21 2.136 -16.976 -18.485 1.00 43.01 H new ATOM 315 N GLY A 22 -0.295 -19.860 -21.483 1.00 51.14 N ATOM 316 CA GLY A 22 -0.269 -21.241 -21.929 1.00 42.33 C ATOM 317 C GLY A 22 -1.589 -21.949 -21.700 1.00 71.22 C ATOM 318 O GLY A 22 -1.622 -23.058 -21.168 1.00 41.04 O ATOM 0 H GLY A 22 -0.644 -19.722 -20.535 1.00 51.14 H new ATOM 0 HA2 GLY A 22 -0.023 -21.272 -22.990 1.00 42.33 H new ATOM 0 HA3 GLY A 22 0.522 -21.775 -21.402 1.00 42.33 H new ATOM 322 N ASN A 23 -2.681 -21.306 -22.101 1.00 72.42 N ATOM 323 CA ASN A 23 -4.011 -21.881 -21.934 1.00 71.54 C ATOM 324 C ASN A 23 -4.228 -23.040 -22.903 1.00 54.34 C ATOM 325 O ASN A 23 -4.443 -24.179 -22.488 1.00 60.31 O ATOM 326 CB ASN A 23 -5.083 -20.812 -22.152 1.00 40.42 C ATOM 327 CG ASN A 23 -6.376 -21.133 -21.428 1.00 71.01 C ATOM 328 OD1 ASN A 23 -7.259 -21.795 -21.975 1.00 4.04 O ATOM 329 ND2 ASN A 23 -6.494 -20.664 -20.191 1.00 42.03 N ATOM 0 H ASN A 23 -2.671 -20.387 -22.544 1.00 72.42 H new ATOM 0 HA ASN A 23 -4.090 -22.262 -20.916 1.00 71.54 H new ATOM 0 HB2 ASN A 23 -4.707 -19.849 -21.808 1.00 40.42 H new ATOM 0 HB3 ASN A 23 -5.282 -20.714 -23.219 1.00 40.42 H new ATOM 0 HD21 ASN A 23 -7.342 -20.848 -19.655 1.00 42.03 H new ATOM 0 HD22 ASN A 23 -5.737 -20.120 -19.777 1.00 42.03 H new ATOM 336 N LEU A 24 -4.171 -22.741 -24.196 1.00 42.44 N ATOM 337 CA LEU A 24 -4.360 -23.757 -25.226 1.00 14.40 C ATOM 338 C LEU A 24 -4.146 -23.169 -26.617 1.00 42.11 C ATOM 339 O LEU A 24 -3.232 -23.570 -27.337 1.00 63.31 O ATOM 340 CB LEU A 24 -5.763 -24.358 -25.125 1.00 14.33 C ATOM 341 CG LEU A 24 -5.835 -25.882 -25.033 1.00 33.35 C ATOM 342 CD1 LEU A 24 -7.126 -26.316 -24.356 1.00 55.11 C ATOM 343 CD2 LEU A 24 -5.720 -26.506 -26.416 1.00 30.33 C ATOM 0 H LEU A 24 -3.995 -21.803 -24.556 1.00 42.44 H new ATOM 0 HA LEU A 24 -3.622 -24.543 -25.066 1.00 14.40 H new ATOM 0 HB2 LEU A 24 -6.254 -23.937 -24.248 1.00 14.33 H new ATOM 0 HB3 LEU A 24 -6.337 -24.039 -25.995 1.00 14.33 H new ATOM 0 HG LEU A 24 -4.997 -26.230 -24.429 1.00 33.35 H new ATOM 0 HD11 LEU A 24 -7.159 -27.404 -24.300 1.00 55.11 H new ATOM 0 HD12 LEU A 24 -7.167 -25.899 -23.350 1.00 55.11 H new ATOM 0 HD13 LEU A 24 -7.978 -25.956 -24.933 1.00 55.11 H new ATOM 0 HD21 LEU A 24 -5.773 -27.591 -26.331 1.00 30.33 H new ATOM 0 HD22 LEU A 24 -6.537 -26.151 -27.045 1.00 30.33 H new ATOM 0 HD23 LEU A 24 -4.768 -26.223 -26.865 1.00 30.33 H new ATOM 355 N SER A 25 -4.993 -22.214 -26.988 1.00 32.32 N ATOM 356 CA SER A 25 -4.897 -21.572 -28.293 1.00 53.04 C ATOM 357 C SER A 25 -3.623 -20.740 -28.397 1.00 42.22 C ATOM 358 O SER A 25 -3.076 -20.555 -29.485 1.00 11.54 O ATOM 359 CB SER A 25 -6.120 -20.686 -28.540 1.00 41.04 C ATOM 360 OG SER A 25 -5.811 -19.320 -28.326 1.00 12.41 O ATOM 0 H SER A 25 -5.753 -21.868 -26.403 1.00 32.32 H new ATOM 0 HA SER A 25 -4.863 -22.353 -29.053 1.00 53.04 H new ATOM 0 HB2 SER A 25 -6.474 -20.826 -29.561 1.00 41.04 H new ATOM 0 HB3 SER A 25 -6.931 -20.987 -27.877 1.00 41.04 H new ATOM 0 HG SER A 25 -6.608 -18.774 -28.492 1.00 12.41 H new ATOM 366 N ASP A 26 -3.155 -20.241 -27.258 1.00 54.12 N ATOM 367 CA ASP A 26 -1.945 -19.429 -27.219 1.00 24.01 C ATOM 368 C ASP A 26 -0.768 -20.178 -27.837 1.00 1.13 C ATOM 369 O ASP A 26 -0.096 -19.668 -28.734 1.00 32.32 O ATOM 370 CB ASP A 26 -1.615 -19.036 -25.778 1.00 51.21 C ATOM 371 CG ASP A 26 -2.834 -18.552 -25.017 1.00 44.40 C ATOM 372 OD1 ASP A 26 -3.206 -17.371 -25.182 1.00 2.33 O ATOM 373 OD2 ASP A 26 -3.415 -19.354 -24.257 1.00 55.34 O ATOM 0 H ASP A 26 -3.596 -20.385 -26.349 1.00 54.12 H new ATOM 0 HA ASP A 26 -2.124 -18.526 -27.802 1.00 24.01 H new ATOM 0 HB2 ASP A 26 -1.184 -19.893 -25.260 1.00 51.21 H new ATOM 0 HB3 ASP A 26 -0.858 -18.252 -25.782 1.00 51.21 H new ATOM 378 N VAL A 27 -0.523 -21.390 -27.350 1.00 32.32 N ATOM 379 CA VAL A 27 0.572 -22.210 -27.854 1.00 4.22 C ATOM 380 C VAL A 27 0.474 -22.390 -29.364 1.00 70.04 C ATOM 381 O VAL A 27 1.487 -22.495 -30.054 1.00 60.44 O ATOM 382 CB VAL A 27 0.591 -23.596 -27.183 1.00 3.04 C ATOM 383 CG1 VAL A 27 1.833 -24.372 -27.594 1.00 4.31 C ATOM 384 CG2 VAL A 27 0.517 -23.456 -25.670 1.00 12.13 C ATOM 0 H VAL A 27 -1.068 -21.826 -26.607 1.00 32.32 H new ATOM 0 HA VAL A 27 1.497 -21.685 -27.613 1.00 4.22 H new ATOM 0 HB VAL A 27 -0.284 -24.154 -27.517 1.00 3.04 H new ATOM 0 HG11 VAL A 27 1.829 -25.349 -27.110 1.00 4.31 H new ATOM 0 HG12 VAL A 27 1.838 -24.503 -28.676 1.00 4.31 H new ATOM 0 HG13 VAL A 27 2.723 -23.821 -27.291 1.00 4.31 H new ATOM 0 HG21 VAL A 27 0.531 -24.445 -25.212 1.00 12.13 H new ATOM 0 HG22 VAL A 27 1.372 -22.879 -25.316 1.00 12.13 H new ATOM 0 HG23 VAL A 27 -0.405 -22.943 -25.397 1.00 12.13 H new ATOM 394 N ASN A 28 -0.754 -22.424 -29.872 1.00 61.10 N ATOM 395 CA ASN A 28 -0.985 -22.592 -31.302 1.00 54.32 C ATOM 396 C ASN A 28 -0.410 -21.417 -32.088 1.00 21.13 C ATOM 397 O ASN A 28 0.303 -21.607 -33.073 1.00 14.01 O ATOM 398 CB ASN A 28 -2.483 -22.724 -31.585 1.00 71.35 C ATOM 399 CG ASN A 28 -2.768 -23.590 -32.797 1.00 62.25 C ATOM 400 OD1 ASN A 28 -3.537 -23.209 -33.680 1.00 2.21 O ATOM 401 ND2 ASN A 28 -2.147 -24.763 -32.845 1.00 71.32 N ATOM 0 H ASN A 28 -1.604 -22.337 -29.315 1.00 61.10 H new ATOM 0 HA ASN A 28 -0.479 -23.503 -31.622 1.00 54.32 H new ATOM 0 HB2 ASN A 28 -2.979 -23.150 -30.713 1.00 71.35 H new ATOM 0 HB3 ASN A 28 -2.909 -21.733 -31.741 1.00 71.35 H new ATOM 0 HD21 ASN A 28 -2.299 -25.389 -33.636 1.00 71.32 H new ATOM 0 HD22 ASN A 28 -1.518 -25.038 -32.091 1.00 71.32 H new ATOM 408 N GLN A 29 -0.724 -20.205 -31.643 1.00 52.55 N ATOM 409 CA GLN A 29 -0.238 -18.999 -32.305 1.00 73.41 C ATOM 410 C GLN A 29 1.286 -18.945 -32.287 1.00 33.22 C ATOM 411 O GLN A 29 1.917 -18.628 -33.294 1.00 64.01 O ATOM 412 CB GLN A 29 -0.813 -17.754 -31.629 1.00 0.35 C ATOM 413 CG GLN A 29 -2.031 -17.184 -32.337 1.00 51.31 C ATOM 414 CD GLN A 29 -3.334 -17.743 -31.800 1.00 23.21 C ATOM 415 OE1 GLN A 29 -3.439 -19.066 -31.762 1.00 42.52 O flip ATOM 416 NE2 GLN A 29 -4.236 -16.995 -31.423 1.00 20.41 N flip ATOM 0 H GLN A 29 -1.312 -20.031 -30.828 1.00 52.55 H new ATOM 0 HA GLN A 29 -0.570 -19.025 -33.343 1.00 73.41 H new ATOM 0 HB2 GLN A 29 -1.083 -18.000 -30.602 1.00 0.35 H new ATOM 0 HB3 GLN A 29 -0.040 -16.987 -31.580 1.00 0.35 H new ATOM 0 HG2 GLN A 29 -2.034 -16.099 -32.230 1.00 51.31 H new ATOM 0 HG3 GLN A 29 -1.960 -17.399 -33.403 1.00 51.31 H new ATOM 0 HE21 GLN A 29 -4.113 -15.984 -31.470 1.00 20.41 H new ATOM 0 HE22 GLN A 29 -5.107 -17.387 -31.064 1.00 20.41 H new ATOM 425 N ALA A 30 1.870 -19.257 -31.134 1.00 41.55 N ATOM 426 CA ALA A 30 3.320 -19.245 -30.986 1.00 1.24 C ATOM 427 C ALA A 30 3.968 -20.336 -31.832 1.00 13.41 C ATOM 428 O ALA A 30 5.130 -20.225 -32.221 1.00 3.41 O ATOM 429 CB ALA A 30 3.702 -19.413 -29.522 1.00 52.14 C ATOM 0 H ALA A 30 1.362 -19.521 -30.290 1.00 41.55 H new ATOM 0 HA ALA A 30 3.688 -18.282 -31.339 1.00 1.24 H new ATOM 0 HB1 ALA A 30 4.788 -19.402 -29.426 1.00 52.14 H new ATOM 0 HB2 ALA A 30 3.278 -18.595 -28.939 1.00 52.14 H new ATOM 0 HB3 ALA A 30 3.314 -20.362 -29.151 1.00 52.14 H new ATOM 435 N SER A 31 3.208 -21.389 -32.113 1.00 20.51 N ATOM 436 CA SER A 31 3.710 -22.503 -32.910 1.00 11.14 C ATOM 437 C SER A 31 3.960 -22.070 -34.351 1.00 72.31 C ATOM 438 O SER A 31 4.801 -22.641 -35.045 1.00 61.41 O ATOM 439 CB SER A 31 2.718 -23.667 -32.879 1.00 70.33 C ATOM 440 OG SER A 31 3.226 -24.751 -32.120 1.00 42.42 O ATOM 0 H SER A 31 2.243 -21.495 -31.801 1.00 20.51 H new ATOM 0 HA SER A 31 4.656 -22.830 -32.478 1.00 11.14 H new ATOM 0 HB2 SER A 31 1.773 -23.332 -32.452 1.00 70.33 H new ATOM 0 HB3 SER A 31 2.509 -23.998 -33.896 1.00 70.33 H new ATOM 0 HG SER A 31 2.572 -25.481 -32.114 1.00 42.42 H new ATOM 446 N ARG A 32 3.223 -21.057 -34.794 1.00 74.35 N ATOM 447 CA ARG A 32 3.362 -20.548 -36.153 1.00 44.03 C ATOM 448 C ARG A 32 4.552 -19.598 -36.258 1.00 62.43 C ATOM 449 O ARG A 32 5.306 -19.637 -37.232 1.00 35.03 O ATOM 450 CB ARG A 32 2.083 -19.829 -36.585 1.00 70.25 C ATOM 451 CG ARG A 32 2.227 -19.059 -37.888 1.00 4.34 C ATOM 452 CD ARG A 32 0.902 -18.959 -38.626 1.00 13.21 C ATOM 453 NE ARG A 32 0.017 -17.962 -38.029 1.00 74.20 N ATOM 454 CZ ARG A 32 -1.263 -17.824 -38.359 1.00 44.30 C ATOM 455 NH1 ARG A 32 -1.804 -18.614 -39.276 1.00 25.33 N ATOM 456 NH2 ARG A 32 -2.004 -16.893 -37.771 1.00 62.22 N ATOM 0 H ARG A 32 2.523 -20.572 -34.232 1.00 74.35 H new ATOM 0 HA ARG A 32 3.535 -21.396 -36.816 1.00 44.03 H new ATOM 0 HB2 ARG A 32 1.283 -20.562 -36.692 1.00 70.25 H new ATOM 0 HB3 ARG A 32 1.780 -19.140 -35.797 1.00 70.25 H new ATOM 0 HG2 ARG A 32 2.605 -18.058 -37.680 1.00 4.34 H new ATOM 0 HG3 ARG A 32 2.962 -19.552 -38.524 1.00 4.34 H new ATOM 0 HD2 ARG A 32 1.086 -18.702 -39.669 1.00 13.21 H new ATOM 0 HD3 ARG A 32 0.409 -19.931 -38.620 1.00 13.21 H new ATOM 0 HE ARG A 32 0.402 -17.338 -37.320 1.00 74.20 H new ATOM 0 HH11 ARG A 32 -1.238 -19.330 -39.730 1.00 25.33 H new ATOM 0 HH12 ARG A 32 -2.787 -18.506 -39.527 1.00 25.33 H new ATOM 0 HH21 ARG A 32 -1.591 -16.283 -37.065 1.00 62.22 H new ATOM 0 HH22 ARG A 32 -2.986 -16.788 -38.025 1.00 62.22 H new ATOM 470 N ILE A 33 4.714 -18.748 -35.251 1.00 1.52 N ATOM 471 CA ILE A 33 5.812 -17.789 -35.230 1.00 21.00 C ATOM 472 C ILE A 33 7.154 -18.494 -35.061 1.00 12.45 C ATOM 473 O ILE A 33 8.192 -17.982 -35.477 1.00 0.55 O ATOM 474 CB ILE A 33 5.639 -16.759 -34.098 1.00 21.42 C ATOM 475 CG1 ILE A 33 4.213 -16.206 -34.096 1.00 34.04 C ATOM 476 CG2 ILE A 33 6.650 -15.632 -34.248 1.00 20.42 C ATOM 477 CD1 ILE A 33 3.806 -15.579 -35.411 1.00 33.32 C ATOM 0 H ILE A 33 4.099 -18.703 -34.438 1.00 1.52 H new ATOM 0 HA ILE A 33 5.795 -17.269 -36.188 1.00 21.00 H new ATOM 0 HB ILE A 33 5.817 -17.256 -33.144 1.00 21.42 H new ATOM 0 HG12 ILE A 33 3.520 -17.012 -33.857 1.00 34.04 H new ATOM 0 HG13 ILE A 33 4.122 -15.462 -33.304 1.00 34.04 H new ATOM 0 HG21 ILE A 33 6.515 -14.912 -33.441 1.00 20.42 H new ATOM 0 HG22 ILE A 33 7.660 -16.041 -34.205 1.00 20.42 H new ATOM 0 HG23 ILE A 33 6.501 -15.135 -35.206 1.00 20.42 H new ATOM 0 HD11 ILE A 33 2.784 -15.209 -35.336 1.00 33.32 H new ATOM 0 HD12 ILE A 33 4.476 -14.751 -35.642 1.00 33.32 H new ATOM 0 HD13 ILE A 33 3.865 -16.325 -36.203 1.00 33.32 H new ATOM 489 N ASN A 34 7.124 -19.673 -34.448 1.00 55.20 N ATOM 490 CA ASN A 34 8.338 -20.449 -34.225 1.00 34.44 C ATOM 491 C ASN A 34 8.854 -21.041 -35.533 1.00 15.21 C ATOM 492 O ASN A 34 10.038 -20.931 -35.851 1.00 53.13 O ATOM 493 CB ASN A 34 8.074 -21.568 -33.215 1.00 74.41 C ATOM 494 CG ASN A 34 8.598 -21.235 -31.832 1.00 1.32 C ATOM 495 OD1 ASN A 34 9.293 -22.038 -31.209 1.00 12.21 O ATOM 496 ND2 ASN A 34 8.267 -20.045 -31.345 1.00 14.33 N ATOM 0 H ASN A 34 6.273 -20.111 -34.097 1.00 55.20 H new ATOM 0 HA ASN A 34 9.099 -19.779 -33.825 1.00 34.44 H new ATOM 0 HB2 ASN A 34 7.002 -21.757 -33.158 1.00 74.41 H new ATOM 0 HB3 ASN A 34 8.542 -22.488 -33.566 1.00 74.41 H new ATOM 0 HD21 ASN A 34 8.591 -19.765 -30.419 1.00 14.33 H new ATOM 0 HD22 ASN A 34 7.689 -19.411 -31.897 1.00 14.33 H new ATOM 503 N ARG A 35 7.956 -21.668 -36.287 1.00 4.40 N ATOM 504 CA ARG A 35 8.321 -22.277 -37.560 1.00 53.14 C ATOM 505 C ARG A 35 8.643 -21.209 -38.602 1.00 32.13 C ATOM 506 O ARG A 35 9.457 -21.427 -39.499 1.00 50.12 O ATOM 507 CB ARG A 35 7.187 -23.171 -38.065 1.00 73.01 C ATOM 508 CG ARG A 35 5.904 -22.415 -38.368 1.00 54.43 C ATOM 509 CD ARG A 35 4.847 -23.328 -38.969 1.00 31.41 C ATOM 510 NE ARG A 35 3.598 -22.620 -39.235 1.00 12.11 N ATOM 511 CZ ARG A 35 2.548 -23.178 -39.828 1.00 45.23 C ATOM 512 NH1 ARG A 35 2.598 -24.445 -40.215 1.00 35.10 N ATOM 513 NH2 ARG A 35 1.447 -22.468 -40.035 1.00 52.15 N ATOM 0 H ARG A 35 6.972 -21.767 -36.038 1.00 4.40 H new ATOM 0 HA ARG A 35 9.212 -22.885 -37.401 1.00 53.14 H new ATOM 0 HB2 ARG A 35 7.517 -23.687 -38.967 1.00 73.01 H new ATOM 0 HB3 ARG A 35 6.979 -23.937 -37.318 1.00 73.01 H new ATOM 0 HG2 ARG A 35 5.520 -21.966 -37.452 1.00 54.43 H new ATOM 0 HG3 ARG A 35 6.116 -21.599 -39.058 1.00 54.43 H new ATOM 0 HD2 ARG A 35 5.225 -23.758 -39.897 1.00 31.41 H new ATOM 0 HD3 ARG A 35 4.655 -24.158 -38.288 1.00 31.41 H new ATOM 0 HE ARG A 35 3.528 -21.643 -38.950 1.00 12.11 H new ATOM 0 HH11 ARG A 35 3.444 -24.993 -40.058 1.00 35.10 H new ATOM 0 HH12 ARG A 35 1.791 -24.871 -40.670 1.00 35.10 H new ATOM 0 HH21 ARG A 35 1.406 -21.493 -39.739 1.00 52.15 H new ATOM 0 HH22 ARG A 35 0.641 -22.897 -40.490 1.00 52.15 H new ATOM 527 N LYS A 36 7.998 -20.054 -38.476 1.00 61.10 N ATOM 528 CA LYS A 36 8.215 -18.951 -39.405 1.00 22.14 C ATOM 529 C LYS A 36 9.617 -18.373 -39.244 1.00 4.41 C ATOM 530 O LYS A 36 10.188 -17.829 -40.190 1.00 24.32 O ATOM 531 CB LYS A 36 7.171 -17.855 -39.180 1.00 70.20 C ATOM 532 CG LYS A 36 7.210 -16.754 -40.226 1.00 30.32 C ATOM 533 CD LYS A 36 7.945 -15.526 -39.716 1.00 24.43 C ATOM 534 CE LYS A 36 7.939 -14.406 -40.744 1.00 14.52 C ATOM 535 NZ LYS A 36 6.935 -13.356 -40.413 1.00 43.23 N ATOM 0 H LYS A 36 7.320 -19.857 -37.739 1.00 61.10 H new ATOM 0 HA LYS A 36 8.114 -19.337 -40.419 1.00 22.14 H new ATOM 0 HB2 LYS A 36 6.179 -18.306 -39.176 1.00 70.20 H new ATOM 0 HB3 LYS A 36 7.325 -17.415 -38.195 1.00 70.20 H new ATOM 0 HG2 LYS A 36 7.699 -17.124 -41.127 1.00 30.32 H new ATOM 0 HG3 LYS A 36 6.193 -16.480 -40.505 1.00 30.32 H new ATOM 0 HD2 LYS A 36 7.478 -15.178 -38.795 1.00 24.43 H new ATOM 0 HD3 LYS A 36 8.974 -15.792 -39.472 1.00 24.43 H new ATOM 0 HE2 LYS A 36 8.931 -13.957 -40.798 1.00 14.52 H new ATOM 0 HE3 LYS A 36 7.722 -14.818 -41.729 1.00 14.52 H new ATOM 0 HZ1 LYS A 36 6.961 -12.610 -41.137 1.00 43.23 H new ATOM 0 HZ2 LYS A 36 5.986 -13.780 -40.387 1.00 43.23 H new ATOM 0 HZ3 LYS A 36 7.156 -12.945 -39.484 1.00 43.23 H new ATOM 549 N LYS A 37 10.168 -18.494 -38.041 1.00 2.22 N ATOM 550 CA LYS A 37 11.505 -17.986 -37.756 1.00 51.20 C ATOM 551 C LYS A 37 12.572 -18.902 -38.345 1.00 62.43 C ATOM 552 O LYS A 37 13.443 -18.458 -39.094 1.00 11.02 O ATOM 553 CB LYS A 37 11.710 -17.851 -36.246 1.00 25.04 C ATOM 554 CG LYS A 37 10.916 -16.716 -35.622 1.00 63.15 C ATOM 555 CD LYS A 37 11.824 -15.589 -35.158 1.00 60.35 C ATOM 556 CE LYS A 37 11.086 -14.617 -34.251 1.00 22.12 C ATOM 557 NZ LYS A 37 11.161 -13.219 -34.758 1.00 4.02 N ATOM 0 H LYS A 37 9.709 -18.940 -37.247 1.00 2.22 H new ATOM 0 HA LYS A 37 11.600 -17.004 -38.219 1.00 51.20 H new ATOM 0 HB2 LYS A 37 11.428 -18.788 -35.765 1.00 25.04 H new ATOM 0 HB3 LYS A 37 12.770 -17.695 -36.044 1.00 25.04 H new ATOM 0 HG2 LYS A 37 10.199 -16.331 -36.347 1.00 63.15 H new ATOM 0 HG3 LYS A 37 10.343 -17.094 -34.776 1.00 63.15 H new ATOM 0 HD2 LYS A 37 12.680 -16.005 -34.627 1.00 60.35 H new ATOM 0 HD3 LYS A 37 12.215 -15.055 -36.024 1.00 60.35 H new ATOM 0 HE2 LYS A 37 10.042 -14.918 -34.169 1.00 22.12 H new ATOM 0 HE3 LYS A 37 11.510 -14.663 -33.248 1.00 22.12 H new ATOM 0 HZ1 LYS A 37 10.646 -12.587 -34.112 1.00 4.02 H new ATOM 0 HZ2 LYS A 37 12.156 -12.922 -34.812 1.00 4.02 H new ATOM 0 HZ3 LYS A 37 10.733 -13.170 -35.705 1.00 4.02 H new ATOM 571 N LYS A 38 12.499 -20.184 -38.004 1.00 74.51 N ATOM 572 CA LYS A 38 13.456 -21.165 -38.501 1.00 63.20 C ATOM 573 C LYS A 38 13.121 -21.577 -39.931 1.00 34.53 C ATOM 574 O LYS A 38 13.819 -22.395 -40.532 1.00 14.21 O ATOM 575 CB LYS A 38 13.473 -22.398 -37.594 1.00 14.40 C ATOM 576 CG LYS A 38 14.295 -22.212 -36.330 1.00 73.14 C ATOM 577 CD LYS A 38 13.539 -22.684 -35.099 1.00 63.13 C ATOM 578 CE LYS A 38 14.489 -23.040 -33.965 1.00 74.04 C ATOM 579 NZ LYS A 38 14.683 -24.512 -33.846 1.00 43.43 N ATOM 0 H LYS A 38 11.786 -20.568 -37.384 1.00 74.51 H new ATOM 0 HA LYS A 38 14.444 -20.705 -38.496 1.00 63.20 H new ATOM 0 HB2 LYS A 38 12.449 -22.650 -37.318 1.00 14.40 H new ATOM 0 HB3 LYS A 38 13.869 -23.245 -38.154 1.00 14.40 H new ATOM 0 HG2 LYS A 38 15.230 -22.765 -36.418 1.00 73.14 H new ATOM 0 HG3 LYS A 38 14.557 -21.160 -36.216 1.00 73.14 H new ATOM 0 HD2 LYS A 38 12.854 -21.903 -34.770 1.00 63.13 H new ATOM 0 HD3 LYS A 38 12.933 -23.553 -35.354 1.00 63.13 H new ATOM 0 HE2 LYS A 38 15.453 -22.559 -34.134 1.00 74.04 H new ATOM 0 HE3 LYS A 38 14.097 -22.648 -33.026 1.00 74.04 H new ATOM 0 HZ1 LYS A 38 15.336 -24.714 -33.063 1.00 43.43 H new ATOM 0 HZ2 LYS A 38 13.767 -24.969 -33.660 1.00 43.43 H new ATOM 0 HZ3 LYS A 38 15.081 -24.883 -34.733 1.00 43.43 H new ATOM 593 N HIS A 39 12.049 -21.006 -40.470 1.00 53.15 N ATOM 594 CA HIS A 39 11.622 -21.313 -41.831 1.00 41.01 C ATOM 595 C HIS A 39 10.576 -20.312 -42.312 1.00 1.45 C ATOM 596 O HIS A 39 10.913 -19.267 -42.870 1.00 65.21 O ATOM 597 CB HIS A 39 11.057 -22.732 -41.903 1.00 65.01 C ATOM 598 CG HIS A 39 11.242 -23.383 -43.239 1.00 70.03 C ATOM 599 ND1 HIS A 39 10.190 -23.714 -44.067 1.00 51.51 N ATOM 600 CD2 HIS A 39 12.366 -23.763 -43.891 1.00 74.22 C ATOM 601 CE1 HIS A 39 10.658 -24.270 -45.170 1.00 22.53 C ATOM 602 NE2 HIS A 39 11.976 -24.312 -45.088 1.00 51.02 N ATOM 0 H HIS A 39 11.460 -20.328 -39.986 1.00 53.15 H new ATOM 0 HA HIS A 39 12.493 -21.243 -42.483 1.00 41.01 H new ATOM 0 HB2 HIS A 39 11.537 -23.345 -41.140 1.00 65.01 H new ATOM 0 HB3 HIS A 39 9.993 -22.703 -41.666 1.00 65.01 H new ATOM 0 HD2 HIS A 39 13.380 -23.655 -43.536 1.00 74.22 H new ATOM 0 HE1 HIS A 39 10.064 -24.629 -45.998 1.00 22.53 H new ATOM 0 HE2 HIS A 39 12.602 -24.691 -45.798 1.00 51.02 H new TER 610 HIS A 39