USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 397 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 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 17 ASN : amide:sc= -0.452 K(o=-0.45,f=-4.2!) USER MOD Single : A 19 SER OG : rot 180:sc= 0.00608 USER MOD Single : A 20 GLN : amide:sc= -2.43 X(o=-2.4,f=-2) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.146 K(o=-0.15,f=-0.81) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.59 K(o=-1.6,f=-4.3!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -10:sc= 0.418! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 101 N ASP A 7 -8.781 -7.608 -11.416 1.00 71.43 N ATOM 102 CA ASP A 7 -9.693 -8.655 -11.863 1.00 21.44 C ATOM 103 C ASP A 7 -9.510 -8.937 -13.351 1.00 30.34 C ATOM 104 O ASP A 7 -9.130 -8.053 -14.118 1.00 42.22 O ATOM 105 CB ASP A 7 -11.142 -8.254 -11.581 1.00 44.32 C ATOM 106 CG ASP A 7 -11.300 -7.559 -10.243 1.00 52.11 C ATOM 107 OD1 ASP A 7 -11.738 -8.221 -9.279 1.00 61.34 O ATOM 108 OD2 ASP A 7 -10.988 -6.352 -10.160 1.00 24.52 O ATOM 0 HA ASP A 7 -9.462 -9.565 -11.309 1.00 21.44 H new ATOM 0 HB2 ASP A 7 -11.494 -7.594 -12.374 1.00 44.32 H new ATOM 0 HB3 ASP A 7 -11.773 -9.143 -11.602 1.00 44.32 H new ATOM 113 N TYR A 8 -9.782 -10.174 -13.751 1.00 30.32 N ATOM 114 CA TYR A 8 -9.644 -10.574 -15.146 1.00 51.12 C ATOM 115 C TYR A 8 -10.394 -9.614 -16.065 1.00 10.35 C ATOM 116 O TYR A 8 -9.968 -9.352 -17.190 1.00 24.15 O ATOM 117 CB TYR A 8 -10.165 -11.998 -15.345 1.00 31.35 C ATOM 118 CG TYR A 8 -9.427 -13.033 -14.525 1.00 41.42 C ATOM 119 CD1 TYR A 8 -10.113 -14.050 -13.873 1.00 5.45 C ATOM 120 CD2 TYR A 8 -8.043 -12.993 -14.405 1.00 31.35 C ATOM 121 CE1 TYR A 8 -9.442 -14.996 -13.122 1.00 70.03 C ATOM 122 CE2 TYR A 8 -7.364 -13.937 -13.658 1.00 11.54 C ATOM 123 CZ TYR A 8 -8.068 -14.935 -13.018 1.00 60.50 C ATOM 124 OH TYR A 8 -7.396 -15.877 -12.273 1.00 33.32 O ATOM 0 H TYR A 8 -10.099 -10.917 -13.129 1.00 30.32 H new ATOM 0 HA TYR A 8 -8.585 -10.542 -15.403 1.00 51.12 H new ATOM 0 HB2 TYR A 8 -11.223 -12.028 -15.086 1.00 31.35 H new ATOM 0 HB3 TYR A 8 -10.088 -12.260 -16.400 1.00 31.35 H new ATOM 0 HD1 TYR A 8 -11.189 -14.102 -13.954 1.00 5.45 H new ATOM 0 HD2 TYR A 8 -7.489 -12.211 -14.904 1.00 31.35 H new ATOM 0 HE1 TYR A 8 -9.990 -15.779 -12.619 1.00 70.03 H new ATOM 0 HE2 TYR A 8 -6.288 -13.893 -13.576 1.00 11.54 H new ATOM 0 HH TYR A 8 -6.434 -15.692 -12.303 1.00 33.32 H new ATOM 134 N TYR A 9 -11.513 -9.091 -15.576 1.00 33.31 N ATOM 135 CA TYR A 9 -12.325 -8.161 -16.352 1.00 21.12 C ATOM 136 C TYR A 9 -11.473 -7.018 -16.896 1.00 74.44 C ATOM 137 O TYR A 9 -11.620 -6.617 -18.051 1.00 24.34 O ATOM 138 CB TYR A 9 -13.459 -7.602 -15.492 1.00 14.41 C ATOM 139 CG TYR A 9 -14.385 -8.664 -14.944 1.00 71.44 C ATOM 140 CD1 TYR A 9 -14.223 -9.159 -13.656 1.00 64.04 C ATOM 141 CD2 TYR A 9 -15.423 -9.173 -15.715 1.00 71.44 C ATOM 142 CE1 TYR A 9 -15.066 -10.131 -13.153 1.00 5.43 C ATOM 143 CE2 TYR A 9 -16.272 -10.144 -15.219 1.00 62.04 C ATOM 144 CZ TYR A 9 -16.089 -10.620 -13.938 1.00 3.32 C ATOM 145 OH TYR A 9 -16.931 -11.587 -13.439 1.00 54.41 O ATOM 0 H TYR A 9 -11.878 -9.295 -14.646 1.00 33.31 H new ATOM 0 HA TYR A 9 -12.751 -8.705 -17.195 1.00 21.12 H new ATOM 0 HB2 TYR A 9 -13.031 -7.042 -14.661 1.00 14.41 H new ATOM 0 HB3 TYR A 9 -14.040 -6.897 -16.086 1.00 14.41 H new ATOM 0 HD1 TYR A 9 -13.424 -8.777 -13.037 1.00 64.04 H new ATOM 0 HD2 TYR A 9 -15.569 -8.803 -16.719 1.00 71.44 H new ATOM 0 HE1 TYR A 9 -14.925 -10.506 -12.150 1.00 5.43 H new ATOM 0 HE2 TYR A 9 -17.074 -10.528 -15.831 1.00 62.04 H new ATOM 0 HH TYR A 9 -17.598 -11.822 -14.118 1.00 54.41 H new ATOM 155 N GLN A 10 -10.584 -6.500 -16.056 1.00 45.12 N ATOM 156 CA GLN A 10 -9.708 -5.403 -16.453 1.00 30.34 C ATOM 157 C GLN A 10 -8.588 -5.902 -17.360 1.00 10.30 C ATOM 158 O GLN A 10 -8.168 -5.204 -18.284 1.00 32.30 O ATOM 159 CB GLN A 10 -9.115 -4.724 -15.217 1.00 52.20 C ATOM 160 CG GLN A 10 -10.163 -4.152 -14.275 1.00 60.44 C ATOM 161 CD GLN A 10 -10.668 -2.794 -14.720 1.00 1.35 C ATOM 162 OE1 GLN A 10 -9.900 -1.836 -14.822 1.00 32.42 O ATOM 163 NE2 GLN A 10 -11.965 -2.702 -14.987 1.00 34.44 N ATOM 0 H GLN A 10 -10.451 -6.821 -15.097 1.00 45.12 H new ATOM 0 HA GLN A 10 -10.304 -4.678 -17.007 1.00 30.34 H new ATOM 0 HB2 GLN A 10 -8.505 -5.446 -14.674 1.00 52.20 H new ATOM 0 HB3 GLN A 10 -8.450 -3.922 -15.537 1.00 52.20 H new ATOM 0 HG2 GLN A 10 -11.003 -4.844 -14.209 1.00 60.44 H new ATOM 0 HG3 GLN A 10 -9.739 -4.068 -13.274 1.00 60.44 H new ATOM 0 HE21 GLN A 10 -12.565 -3.521 -14.889 1.00 34.44 H new ATOM 0 HE22 GLN A 10 -12.361 -1.812 -15.290 1.00 34.44 H new ATOM 172 N ILE A 11 -8.109 -7.111 -17.090 1.00 24.10 N ATOM 173 CA ILE A 11 -7.038 -7.702 -17.883 1.00 22.32 C ATOM 174 C ILE A 11 -7.490 -7.952 -19.318 1.00 23.14 C ATOM 175 O ILE A 11 -6.682 -7.934 -20.247 1.00 5.41 O ATOM 176 CB ILE A 11 -6.551 -9.029 -17.271 1.00 74.42 C ATOM 177 CG1 ILE A 11 -6.058 -8.806 -15.840 1.00 63.13 C ATOM 178 CG2 ILE A 11 -5.450 -9.636 -18.129 1.00 15.34 C ATOM 179 CD1 ILE A 11 -5.864 -10.088 -15.061 1.00 30.10 C ATOM 0 H ILE A 11 -8.445 -7.701 -16.329 1.00 24.10 H new ATOM 0 HA ILE A 11 -6.215 -6.988 -17.883 1.00 22.32 H new ATOM 0 HB ILE A 11 -7.388 -9.727 -17.242 1.00 74.42 H new ATOM 0 HG12 ILE A 11 -5.114 -8.262 -15.870 1.00 63.13 H new ATOM 0 HG13 ILE A 11 -6.773 -8.174 -15.312 1.00 63.13 H new ATOM 0 HG21 ILE A 11 -5.116 -10.573 -17.683 1.00 15.34 H new ATOM 0 HG22 ILE A 11 -5.833 -9.827 -19.131 1.00 15.34 H new ATOM 0 HG23 ILE A 11 -4.611 -8.943 -18.188 1.00 15.34 H new ATOM 0 HD11 ILE A 11 -5.514 -9.853 -14.056 1.00 30.10 H new ATOM 0 HD12 ILE A 11 -6.812 -10.623 -14.999 1.00 30.10 H new ATOM 0 HD13 ILE A 11 -5.127 -10.712 -15.566 1.00 30.10 H new ATOM 191 N LEU A 12 -8.786 -8.184 -19.492 1.00 11.14 N ATOM 192 CA LEU A 12 -9.347 -8.436 -20.814 1.00 55.34 C ATOM 193 C LEU A 12 -10.002 -7.178 -21.377 1.00 2.24 C ATOM 194 O LEU A 12 -10.261 -7.084 -22.576 1.00 12.55 O ATOM 195 CB LEU A 12 -10.371 -9.571 -20.748 1.00 41.41 C ATOM 196 CG LEU A 12 -9.822 -10.982 -20.958 1.00 72.40 C ATOM 197 CD1 LEU A 12 -10.818 -12.021 -20.465 1.00 3.22 C ATOM 198 CD2 LEU A 12 -9.491 -11.213 -22.425 1.00 61.12 C ATOM 0 H LEU A 12 -9.468 -8.203 -18.734 1.00 11.14 H new ATOM 0 HA LEU A 12 -8.532 -8.728 -21.477 1.00 55.34 H new ATOM 0 HB2 LEU A 12 -10.862 -9.535 -19.776 1.00 41.41 H new ATOM 0 HB3 LEU A 12 -11.138 -9.386 -21.500 1.00 41.41 H new ATOM 0 HG LEU A 12 -8.904 -11.084 -20.379 1.00 72.40 H new ATOM 0 HD11 LEU A 12 -10.410 -13.019 -20.623 1.00 3.22 H new ATOM 0 HD12 LEU A 12 -11.006 -11.869 -19.402 1.00 3.22 H new ATOM 0 HD13 LEU A 12 -11.753 -11.920 -21.017 1.00 3.22 H new ATOM 0 HD21 LEU A 12 -9.101 -12.223 -22.555 1.00 61.12 H new ATOM 0 HD22 LEU A 12 -10.393 -11.092 -23.025 1.00 61.12 H new ATOM 0 HD23 LEU A 12 -8.741 -10.490 -22.747 1.00 61.12 H new ATOM 210 N GLY A 13 -10.264 -6.212 -20.502 1.00 14.44 N ATOM 211 CA GLY A 13 -10.884 -4.971 -20.930 1.00 31.21 C ATOM 212 C GLY A 13 -12.377 -5.114 -21.147 1.00 74.15 C ATOM 213 O GLY A 13 -12.959 -4.425 -21.986 1.00 63.52 O ATOM 0 H GLY A 13 -10.058 -6.266 -19.504 1.00 14.44 H new ATOM 0 HA2 GLY A 13 -10.701 -4.200 -20.182 1.00 31.21 H new ATOM 0 HA3 GLY A 13 -10.416 -4.635 -21.855 1.00 31.21 H new ATOM 217 N VAL A 14 -13.001 -6.012 -20.391 1.00 61.12 N ATOM 218 CA VAL A 14 -14.436 -6.244 -20.506 1.00 2.14 C ATOM 219 C VAL A 14 -15.153 -5.905 -19.204 1.00 23.15 C ATOM 220 O VAL A 14 -14.583 -5.979 -18.115 1.00 21.54 O ATOM 221 CB VAL A 14 -14.740 -7.706 -20.881 1.00 21.41 C ATOM 222 CG1 VAL A 14 -14.027 -8.086 -22.170 1.00 31.52 C ATOM 223 CG2 VAL A 14 -14.343 -8.640 -19.747 1.00 74.34 C ATOM 0 H VAL A 14 -12.535 -6.591 -19.692 1.00 61.12 H new ATOM 0 HA VAL A 14 -14.800 -5.591 -21.299 1.00 2.14 H new ATOM 0 HB VAL A 14 -15.813 -7.806 -21.045 1.00 21.41 H new ATOM 0 HG11 VAL A 14 -14.254 -9.123 -22.419 1.00 31.52 H new ATOM 0 HG12 VAL A 14 -14.365 -7.437 -22.978 1.00 31.52 H new ATOM 0 HG13 VAL A 14 -12.951 -7.971 -22.038 1.00 31.52 H new ATOM 0 HG21 VAL A 14 -14.565 -9.669 -20.029 1.00 74.34 H new ATOM 0 HG22 VAL A 14 -13.276 -8.540 -19.550 1.00 74.34 H new ATOM 0 HG23 VAL A 14 -14.904 -8.381 -18.849 1.00 74.34 H new ATOM 233 N PRO A 15 -16.434 -5.524 -19.315 1.00 61.13 N ATOM 234 CA PRO A 15 -17.258 -5.167 -18.156 1.00 64.15 C ATOM 235 C PRO A 15 -17.591 -6.375 -17.288 1.00 25.23 C ATOM 236 O PRO A 15 -17.248 -7.508 -17.626 1.00 75.34 O ATOM 237 CB PRO A 15 -18.530 -4.596 -18.788 1.00 5.31 C ATOM 238 CG PRO A 15 -18.601 -5.228 -20.135 1.00 30.42 C ATOM 239 CD PRO A 15 -17.177 -5.413 -20.582 1.00 12.03 C ATOM 0 HA PRO A 15 -16.747 -4.471 -17.491 1.00 64.15 H new ATOM 0 HB2 PRO A 15 -19.410 -4.836 -18.191 1.00 5.31 H new ATOM 0 HB3 PRO A 15 -18.482 -3.510 -18.863 1.00 5.31 H new ATOM 0 HG2 PRO A 15 -19.123 -6.184 -20.090 1.00 30.42 H new ATOM 0 HG3 PRO A 15 -19.150 -4.597 -20.834 1.00 30.42 H new ATOM 0 HD2 PRO A 15 -17.061 -6.306 -21.195 1.00 12.03 H new ATOM 0 HD3 PRO A 15 -16.830 -4.569 -21.179 1.00 12.03 H new ATOM 247 N ARG A 16 -18.260 -6.126 -16.167 1.00 2.21 N ATOM 248 CA ARG A 16 -18.638 -7.194 -15.249 1.00 52.43 C ATOM 249 C ARG A 16 -19.870 -7.937 -15.758 1.00 42.13 C ATOM 250 O ARG A 16 -20.251 -8.972 -15.214 1.00 61.21 O ATOM 251 CB ARG A 16 -18.912 -6.625 -13.856 1.00 54.50 C ATOM 252 CG ARG A 16 -17.729 -5.881 -13.258 1.00 54.43 C ATOM 253 CD ARG A 16 -17.766 -4.402 -13.610 1.00 12.53 C ATOM 254 NE ARG A 16 -17.109 -3.581 -12.596 1.00 30.54 N ATOM 255 CZ ARG A 16 -16.774 -2.310 -12.783 1.00 3.12 C ATOM 256 NH1 ARG A 16 -17.033 -1.716 -13.939 1.00 41.15 N ATOM 257 NH2 ARG A 16 -16.178 -1.630 -11.812 1.00 11.44 N ATOM 0 H ARG A 16 -18.551 -5.194 -15.873 1.00 2.21 H new ATOM 0 HA ARG A 16 -17.808 -7.899 -15.189 1.00 52.43 H new ATOM 0 HB2 ARG A 16 -19.765 -5.949 -13.910 1.00 54.50 H new ATOM 0 HB3 ARG A 16 -19.193 -7.440 -13.189 1.00 54.50 H new ATOM 0 HG2 ARG A 16 -17.734 -5.999 -12.174 1.00 54.43 H new ATOM 0 HG3 ARG A 16 -16.800 -6.320 -13.622 1.00 54.43 H new ATOM 0 HD2 ARG A 16 -17.280 -4.246 -14.573 1.00 12.53 H new ATOM 0 HD3 ARG A 16 -18.802 -4.082 -13.720 1.00 12.53 H new ATOM 0 HE ARG A 16 -16.896 -4.008 -11.694 1.00 30.54 H new ATOM 0 HH11 ARG A 16 -17.491 -2.235 -14.688 1.00 41.15 H new ATOM 0 HH12 ARG A 16 -16.774 -0.739 -14.080 1.00 41.15 H new ATOM 0 HH21 ARG A 16 -15.977 -2.084 -10.921 1.00 11.44 H new ATOM 0 HH22 ARG A 16 -15.921 -0.654 -11.957 1.00 11.44 H new ATOM 271 N ASN A 17 -20.488 -7.400 -16.805 1.00 63.15 N ATOM 272 CA ASN A 17 -21.677 -8.012 -17.387 1.00 41.24 C ATOM 273 C ASN A 17 -21.403 -8.486 -18.811 1.00 73.14 C ATOM 274 O ASN A 17 -22.311 -8.928 -19.515 1.00 34.05 O ATOM 275 CB ASN A 17 -22.841 -7.018 -17.384 1.00 24.45 C ATOM 276 CG ASN A 17 -22.467 -5.688 -18.008 1.00 0.22 C ATOM 277 OD1 ASN A 17 -21.688 -5.633 -18.960 1.00 10.05 O ATOM 278 ND2 ASN A 17 -23.022 -4.607 -17.473 1.00 14.32 N ATOM 0 H ASN A 17 -20.185 -6.543 -17.268 1.00 63.15 H new ATOM 0 HA ASN A 17 -21.944 -8.877 -16.780 1.00 41.24 H new ATOM 0 HB2 ASN A 17 -23.683 -7.447 -17.927 1.00 24.45 H new ATOM 0 HB3 ASN A 17 -23.173 -6.855 -16.359 1.00 24.45 H new ATOM 0 HD21 ASN A 17 -22.808 -3.684 -17.851 1.00 14.32 H new ATOM 0 HD22 ASN A 17 -23.662 -4.700 -16.684 1.00 14.32 H new ATOM 285 N ALA A 18 -20.145 -8.392 -19.229 1.00 52.52 N ATOM 286 CA ALA A 18 -19.751 -8.813 -20.568 1.00 31.23 C ATOM 287 C ALA A 18 -20.116 -10.273 -20.813 1.00 21.40 C ATOM 288 O ALA A 18 -20.339 -11.034 -19.871 1.00 64.12 O ATOM 289 CB ALA A 18 -18.258 -8.599 -20.770 1.00 54.14 C ATOM 0 H ALA A 18 -19.381 -8.028 -18.660 1.00 52.52 H new ATOM 0 HA ALA A 18 -20.295 -8.203 -21.289 1.00 31.23 H new ATOM 0 HB1 ALA A 18 -17.977 -8.918 -21.774 1.00 54.14 H new ATOM 0 HB2 ALA A 18 -18.022 -7.542 -20.645 1.00 54.14 H new ATOM 0 HB3 ALA A 18 -17.704 -9.184 -20.036 1.00 54.14 H new ATOM 295 N SER A 19 -20.176 -10.658 -22.084 1.00 30.12 N ATOM 296 CA SER A 19 -20.519 -12.027 -22.453 1.00 4.42 C ATOM 297 C SER A 19 -19.291 -12.775 -22.964 1.00 31.05 C ATOM 298 O SER A 19 -18.247 -12.175 -23.217 1.00 22.15 O ATOM 299 CB SER A 19 -21.613 -12.030 -23.521 1.00 74.45 C ATOM 300 OG SER A 19 -21.402 -11.000 -24.471 1.00 72.34 O ATOM 0 H SER A 19 -19.992 -10.042 -22.875 1.00 30.12 H new ATOM 0 HA SER A 19 -20.889 -12.536 -21.563 1.00 4.42 H new ATOM 0 HB2 SER A 19 -21.630 -12.996 -24.025 1.00 74.45 H new ATOM 0 HB3 SER A 19 -22.587 -11.899 -23.049 1.00 74.45 H new ATOM 0 HG SER A 19 -22.114 -11.025 -25.144 1.00 72.34 H new ATOM 306 N GLN A 20 -19.426 -14.089 -23.112 1.00 53.11 N ATOM 307 CA GLN A 20 -18.328 -14.920 -23.592 1.00 13.13 C ATOM 308 C GLN A 20 -17.922 -14.521 -25.006 1.00 65.04 C ATOM 309 O GLN A 20 -16.777 -14.721 -25.415 1.00 34.11 O ATOM 310 CB GLN A 20 -18.727 -16.396 -23.560 1.00 62.40 C ATOM 311 CG GLN A 20 -19.409 -16.815 -22.268 1.00 14.32 C ATOM 312 CD GLN A 20 -18.691 -16.301 -21.036 1.00 12.05 C ATOM 313 OE1 GLN A 20 -19.101 -15.309 -20.432 1.00 40.35 O ATOM 314 NE2 GLN A 20 -17.613 -16.976 -20.654 1.00 42.52 N ATOM 0 H GLN A 20 -20.284 -14.601 -22.907 1.00 53.11 H new ATOM 0 HA GLN A 20 -17.474 -14.767 -22.932 1.00 13.13 H new ATOM 0 HB2 GLN A 20 -19.395 -16.601 -24.397 1.00 62.40 H new ATOM 0 HB3 GLN A 20 -17.837 -17.008 -23.706 1.00 62.40 H new ATOM 0 HG2 GLN A 20 -20.435 -16.446 -22.267 1.00 14.32 H new ATOM 0 HG3 GLN A 20 -19.462 -17.903 -22.226 1.00 14.32 H new ATOM 0 HE21 GLN A 20 -17.308 -17.793 -21.184 1.00 42.52 H new ATOM 0 HE22 GLN A 20 -17.090 -16.678 -19.831 1.00 42.52 H new ATOM 323 N LYS A 21 -18.866 -13.956 -25.751 1.00 42.11 N ATOM 324 CA LYS A 21 -18.607 -13.528 -27.121 1.00 2.55 C ATOM 325 C LYS A 21 -17.834 -12.213 -27.142 1.00 52.53 C ATOM 326 O LYS A 21 -16.901 -12.044 -27.926 1.00 64.31 O ATOM 327 CB LYS A 21 -19.923 -13.371 -27.885 1.00 51.42 C ATOM 328 CG LYS A 21 -20.696 -14.669 -28.038 1.00 33.01 C ATOM 329 CD LYS A 21 -22.024 -14.448 -28.743 1.00 43.14 C ATOM 330 CE LYS A 21 -21.846 -14.361 -30.252 1.00 22.45 C ATOM 331 NZ LYS A 21 -21.828 -15.709 -30.886 1.00 50.50 N ATOM 0 H LYS A 21 -19.818 -13.784 -25.429 1.00 42.11 H new ATOM 0 HA LYS A 21 -18.002 -14.293 -27.607 1.00 2.55 H new ATOM 0 HB2 LYS A 21 -20.549 -12.644 -27.368 1.00 51.42 H new ATOM 0 HB3 LYS A 21 -19.713 -12.964 -28.874 1.00 51.42 H new ATOM 0 HG2 LYS A 21 -20.098 -15.385 -28.602 1.00 33.01 H new ATOM 0 HG3 LYS A 21 -20.873 -15.106 -27.055 1.00 33.01 H new ATOM 0 HD2 LYS A 21 -22.705 -15.264 -28.502 1.00 43.14 H new ATOM 0 HD3 LYS A 21 -22.484 -13.530 -28.376 1.00 43.14 H new ATOM 0 HE2 LYS A 21 -22.655 -13.769 -30.680 1.00 22.45 H new ATOM 0 HE3 LYS A 21 -20.916 -13.840 -30.479 1.00 22.45 H new ATOM 0 HZ1 LYS A 21 -21.705 -15.608 -31.914 1.00 50.50 H new ATOM 0 HZ2 LYS A 21 -21.041 -16.265 -30.496 1.00 50.50 H new ATOM 0 HZ3 LYS A 21 -22.726 -16.196 -30.691 1.00 50.50 H new ATOM 345 N GLU A 22 -18.229 -11.285 -26.276 1.00 11.30 N ATOM 346 CA GLU A 22 -17.572 -9.985 -26.197 1.00 31.42 C ATOM 347 C GLU A 22 -16.134 -10.132 -25.708 1.00 42.13 C ATOM 348 O GLU A 22 -15.268 -9.323 -26.043 1.00 52.40 O ATOM 349 CB GLU A 22 -18.347 -9.053 -25.263 1.00 21.31 C ATOM 350 CG GLU A 22 -17.656 -7.722 -25.022 1.00 13.51 C ATOM 351 CD GLU A 22 -17.558 -6.879 -26.279 1.00 61.41 C ATOM 352 OE1 GLU A 22 -18.617 -6.512 -26.831 1.00 24.14 O ATOM 353 OE2 GLU A 22 -16.423 -6.588 -26.711 1.00 54.04 O ATOM 0 H GLU A 22 -19.000 -11.409 -25.620 1.00 11.30 H new ATOM 0 HA GLU A 22 -17.555 -9.553 -27.198 1.00 31.42 H new ATOM 0 HB2 GLU A 22 -19.335 -8.869 -25.685 1.00 21.31 H new ATOM 0 HB3 GLU A 22 -18.497 -9.553 -24.306 1.00 21.31 H new ATOM 0 HG2 GLU A 22 -18.201 -7.167 -24.258 1.00 13.51 H new ATOM 0 HG3 GLU A 22 -16.655 -7.902 -24.631 1.00 13.51 H new ATOM 360 N ILE A 23 -15.887 -11.169 -24.915 1.00 54.01 N ATOM 361 CA ILE A 23 -14.555 -11.422 -24.381 1.00 70.00 C ATOM 362 C ILE A 23 -13.609 -11.912 -25.472 1.00 74.42 C ATOM 363 O ILE A 23 -12.421 -11.592 -25.469 1.00 64.14 O ATOM 364 CB ILE A 23 -14.592 -12.461 -23.244 1.00 40.35 C ATOM 365 CG1 ILE A 23 -15.473 -11.962 -22.097 1.00 73.53 C ATOM 366 CG2 ILE A 23 -13.184 -12.754 -22.749 1.00 3.11 C ATOM 367 CD1 ILE A 23 -16.157 -13.075 -21.333 1.00 42.13 C ATOM 0 H ILE A 23 -16.592 -11.848 -24.628 1.00 54.01 H new ATOM 0 HA ILE A 23 -14.189 -10.475 -23.985 1.00 70.00 H new ATOM 0 HB ILE A 23 -15.020 -13.386 -23.630 1.00 40.35 H new ATOM 0 HG12 ILE A 23 -14.862 -11.380 -21.407 1.00 73.53 H new ATOM 0 HG13 ILE A 23 -16.230 -11.288 -22.498 1.00 73.53 H new ATOM 0 HG21 ILE A 23 -13.226 -13.490 -21.946 1.00 3.11 H new ATOM 0 HG22 ILE A 23 -12.584 -13.147 -23.570 1.00 3.11 H new ATOM 0 HG23 ILE A 23 -12.731 -11.835 -22.376 1.00 3.11 H new ATOM 0 HD11 ILE A 23 -16.765 -12.648 -20.535 1.00 42.13 H new ATOM 0 HD12 ILE A 23 -16.795 -13.643 -22.011 1.00 42.13 H new ATOM 0 HD13 ILE A 23 -15.405 -13.736 -20.903 1.00 42.13 H new ATOM 379 N LYS A 24 -14.146 -12.691 -26.406 1.00 44.42 N ATOM 380 CA LYS A 24 -13.352 -13.224 -27.507 1.00 3.22 C ATOM 381 C LYS A 24 -12.737 -12.097 -28.330 1.00 44.41 C ATOM 382 O LYS A 24 -11.577 -12.172 -28.737 1.00 21.13 O ATOM 383 CB LYS A 24 -14.217 -14.111 -28.404 1.00 73.21 C ATOM 384 CG LYS A 24 -14.217 -15.574 -27.995 1.00 64.14 C ATOM 385 CD LYS A 24 -14.919 -16.442 -29.027 1.00 4.52 C ATOM 386 CE LYS A 24 -13.975 -16.847 -30.149 1.00 32.43 C ATOM 387 NZ LYS A 24 -14.569 -17.900 -31.019 1.00 25.23 N ATOM 0 H LYS A 24 -15.128 -12.967 -26.422 1.00 44.42 H new ATOM 0 HA LYS A 24 -12.546 -13.823 -27.083 1.00 3.22 H new ATOM 0 HB2 LYS A 24 -15.241 -13.739 -28.390 1.00 73.21 H new ATOM 0 HB3 LYS A 24 -13.862 -14.030 -29.432 1.00 73.21 H new ATOM 0 HG2 LYS A 24 -13.190 -15.917 -27.868 1.00 64.14 H new ATOM 0 HG3 LYS A 24 -14.712 -15.683 -27.030 1.00 64.14 H new ATOM 0 HD2 LYS A 24 -15.316 -17.335 -28.544 1.00 4.52 H new ATOM 0 HD3 LYS A 24 -15.769 -15.900 -29.443 1.00 4.52 H new ATOM 0 HE2 LYS A 24 -13.731 -15.972 -30.752 1.00 32.43 H new ATOM 0 HE3 LYS A 24 -13.040 -17.212 -29.724 1.00 32.43 H new ATOM 0 HZ1 LYS A 24 -13.896 -18.149 -31.771 1.00 25.23 H new ATOM 0 HZ2 LYS A 24 -14.779 -18.744 -30.449 1.00 25.23 H new ATOM 0 HZ3 LYS A 24 -15.448 -17.543 -31.445 1.00 25.23 H new ATOM 401 N LYS A 25 -13.520 -11.051 -28.571 1.00 50.14 N ATOM 402 CA LYS A 25 -13.052 -9.906 -29.344 1.00 14.14 C ATOM 403 C LYS A 25 -12.061 -9.073 -28.536 1.00 75.44 C ATOM 404 O LYS A 25 -10.991 -8.717 -29.028 1.00 11.23 O ATOM 405 CB LYS A 25 -14.236 -9.036 -29.772 1.00 11.32 C ATOM 406 CG LYS A 25 -15.147 -9.704 -30.787 1.00 62.31 C ATOM 407 CD LYS A 25 -16.408 -8.891 -31.026 1.00 2.10 C ATOM 408 CE LYS A 25 -17.465 -9.704 -31.757 1.00 52.30 C ATOM 409 NZ LYS A 25 -17.290 -9.641 -33.234 1.00 65.44 N ATOM 0 H LYS A 25 -14.482 -10.972 -28.242 1.00 50.14 H new ATOM 0 HA LYS A 25 -12.545 -10.281 -30.233 1.00 14.14 H new ATOM 0 HB2 LYS A 25 -14.820 -8.773 -28.890 1.00 11.32 H new ATOM 0 HB3 LYS A 25 -13.858 -8.105 -30.193 1.00 11.32 H new ATOM 0 HG2 LYS A 25 -14.612 -9.832 -31.728 1.00 62.31 H new ATOM 0 HG3 LYS A 25 -15.416 -10.700 -30.435 1.00 62.31 H new ATOM 0 HD2 LYS A 25 -16.807 -8.548 -30.072 1.00 2.10 H new ATOM 0 HD3 LYS A 25 -16.164 -8.002 -31.608 1.00 2.10 H new ATOM 0 HE2 LYS A 25 -17.415 -10.742 -31.429 1.00 52.30 H new ATOM 0 HE3 LYS A 25 -18.455 -9.333 -31.493 1.00 52.30 H new ATOM 0 HZ1 LYS A 25 -18.030 -10.208 -33.696 1.00 65.44 H new ATOM 0 HZ2 LYS A 25 -17.363 -8.653 -33.550 1.00 65.44 H new ATOM 0 HZ3 LYS A 25 -16.355 -10.018 -33.489 1.00 65.44 H new ATOM 423 N ALA A 26 -12.425 -8.768 -27.295 1.00 71.30 N ATOM 424 CA ALA A 26 -11.566 -7.981 -26.419 1.00 73.11 C ATOM 425 C ALA A 26 -10.233 -8.682 -26.183 1.00 21.13 C ATOM 426 O ALA A 26 -9.205 -8.033 -25.988 1.00 50.22 O ATOM 427 CB ALA A 26 -12.266 -7.714 -25.095 1.00 13.22 C ATOM 0 H ALA A 26 -13.309 -9.054 -26.874 1.00 71.30 H new ATOM 0 HA ALA A 26 -11.364 -7.029 -26.909 1.00 73.11 H new ATOM 0 HB1 ALA A 26 -11.613 -7.125 -24.450 1.00 13.22 H new ATOM 0 HB2 ALA A 26 -13.189 -7.164 -25.276 1.00 13.22 H new ATOM 0 HB3 ALA A 26 -12.498 -8.661 -24.608 1.00 13.22 H new ATOM 433 N TYR A 27 -10.257 -10.010 -26.200 1.00 60.12 N ATOM 434 CA TYR A 27 -9.050 -10.799 -25.985 1.00 30.35 C ATOM 435 C TYR A 27 -8.125 -10.722 -27.195 1.00 40.03 C ATOM 436 O TYR A 27 -6.901 -10.728 -27.058 1.00 15.05 O ATOM 437 CB TYR A 27 -9.413 -12.257 -25.698 1.00 72.35 C ATOM 438 CG TYR A 27 -8.219 -13.184 -25.667 1.00 3.22 C ATOM 439 CD1 TYR A 27 -7.167 -12.964 -24.785 1.00 74.45 C ATOM 440 CD2 TYR A 27 -8.142 -14.280 -26.518 1.00 11.41 C ATOM 441 CE1 TYR A 27 -6.074 -13.808 -24.754 1.00 1.12 C ATOM 442 CE2 TYR A 27 -7.053 -15.129 -26.492 1.00 72.32 C ATOM 443 CZ TYR A 27 -6.021 -14.889 -25.609 1.00 15.02 C ATOM 444 OH TYR A 27 -4.935 -15.732 -25.579 1.00 64.44 O ATOM 0 H TYR A 27 -11.099 -10.563 -26.360 1.00 60.12 H new ATOM 0 HA TYR A 27 -8.526 -10.386 -25.124 1.00 30.35 H new ATOM 0 HB2 TYR A 27 -9.930 -12.312 -24.740 1.00 72.35 H new ATOM 0 HB3 TYR A 27 -10.113 -12.605 -26.458 1.00 72.35 H new ATOM 0 HD1 TYR A 27 -7.205 -12.119 -24.113 1.00 74.45 H new ATOM 0 HD2 TYR A 27 -8.948 -14.471 -27.212 1.00 11.41 H new ATOM 0 HE1 TYR A 27 -5.265 -13.622 -24.063 1.00 1.12 H new ATOM 0 HE2 TYR A 27 -7.010 -15.977 -27.160 1.00 72.32 H new ATOM 0 HH TYR A 27 -5.054 -16.443 -26.243 1.00 64.44 H new ATOM 454 N TYR A 28 -8.719 -10.649 -28.381 1.00 42.22 N ATOM 455 CA TYR A 28 -7.950 -10.572 -29.618 1.00 2.04 C ATOM 456 C TYR A 28 -7.352 -9.181 -29.801 1.00 45.45 C ATOM 457 O TYR A 28 -6.167 -9.038 -30.102 1.00 23.11 O ATOM 458 CB TYR A 28 -8.834 -10.921 -30.816 1.00 33.34 C ATOM 459 CG TYR A 28 -8.131 -10.788 -32.147 1.00 43.22 C ATOM 460 CD1 TYR A 28 -8.621 -9.941 -33.133 1.00 14.51 C ATOM 461 CD2 TYR A 28 -6.974 -11.508 -32.419 1.00 72.52 C ATOM 462 CE1 TYR A 28 -7.982 -9.816 -34.351 1.00 71.11 C ATOM 463 CE2 TYR A 28 -6.327 -11.389 -33.634 1.00 74.21 C ATOM 464 CZ TYR A 28 -6.835 -10.542 -34.597 1.00 35.31 C ATOM 465 OH TYR A 28 -6.195 -10.420 -35.809 1.00 21.04 O ATOM 0 H TYR A 28 -9.731 -10.642 -28.512 1.00 42.22 H new ATOM 0 HA TYR A 28 -7.135 -11.293 -29.555 1.00 2.04 H new ATOM 0 HB2 TYR A 28 -9.194 -11.944 -30.705 1.00 33.34 H new ATOM 0 HB3 TYR A 28 -9.710 -10.273 -30.811 1.00 33.34 H new ATOM 0 HD1 TYR A 28 -9.518 -9.370 -32.944 1.00 14.51 H new ATOM 0 HD2 TYR A 28 -6.573 -12.172 -31.667 1.00 72.52 H new ATOM 0 HE1 TYR A 28 -8.378 -9.154 -35.107 1.00 71.11 H new ATOM 0 HE2 TYR A 28 -5.429 -11.956 -33.829 1.00 74.21 H new ATOM 0 HH TYR A 28 -5.403 -10.997 -35.820 1.00 21.04 H new ATOM 475 N GLN A 29 -8.181 -8.158 -29.618 1.00 63.20 N ATOM 476 CA GLN A 29 -7.734 -6.778 -29.764 1.00 14.34 C ATOM 477 C GLN A 29 -6.606 -6.464 -28.786 1.00 73.41 C ATOM 478 O GLN A 29 -5.701 -5.688 -29.094 1.00 54.43 O ATOM 479 CB GLN A 29 -8.902 -5.816 -29.539 1.00 11.44 C ATOM 480 CG GLN A 29 -9.281 -5.650 -28.076 1.00 5.34 C ATOM 481 CD GLN A 29 -10.392 -4.640 -27.871 1.00 53.43 C ATOM 482 OE1 GLN A 29 -11.208 -4.408 -28.764 1.00 33.20 O ATOM 483 NE2 GLN A 29 -10.430 -4.031 -26.691 1.00 75.45 N ATOM 0 H GLN A 29 -9.165 -8.259 -29.369 1.00 63.20 H new ATOM 0 HA GLN A 29 -7.356 -6.650 -30.778 1.00 14.34 H new ATOM 0 HB2 GLN A 29 -8.643 -4.841 -29.951 1.00 11.44 H new ATOM 0 HB3 GLN A 29 -9.770 -6.176 -30.092 1.00 11.44 H new ATOM 0 HG2 GLN A 29 -9.593 -6.614 -27.674 1.00 5.34 H new ATOM 0 HG3 GLN A 29 -8.403 -5.338 -27.511 1.00 5.34 H new ATOM 0 HE21 GLN A 29 -9.734 -4.254 -25.980 1.00 75.45 H new ATOM 0 HE22 GLN A 29 -11.155 -3.341 -26.496 1.00 75.45 H new ATOM 492 N LEU A 30 -6.666 -7.073 -27.607 1.00 13.12 N ATOM 493 CA LEU A 30 -5.649 -6.859 -26.583 1.00 15.32 C ATOM 494 C LEU A 30 -4.343 -7.550 -26.960 1.00 41.40 C ATOM 495 O LEU A 30 -3.260 -6.994 -26.776 1.00 72.33 O ATOM 496 CB LEU A 30 -6.142 -7.377 -25.231 1.00 30.43 C ATOM 497 CG LEU A 30 -6.441 -6.315 -24.173 1.00 1.34 C ATOM 498 CD1 LEU A 30 -7.347 -5.234 -24.742 1.00 71.33 C ATOM 499 CD2 LEU A 30 -7.073 -6.950 -22.943 1.00 11.33 C ATOM 0 H LEU A 30 -7.408 -7.719 -27.336 1.00 13.12 H new ATOM 0 HA LEU A 30 -5.463 -5.788 -26.509 1.00 15.32 H new ATOM 0 HB2 LEU A 30 -7.047 -7.961 -25.397 1.00 30.43 H new ATOM 0 HB3 LEU A 30 -5.392 -8.059 -24.830 1.00 30.43 H new ATOM 0 HG LEU A 30 -5.500 -5.852 -23.875 1.00 1.34 H new ATOM 0 HD11 LEU A 30 -7.549 -4.487 -23.974 1.00 71.33 H new ATOM 0 HD12 LEU A 30 -6.857 -4.758 -25.591 1.00 71.33 H new ATOM 0 HD13 LEU A 30 -8.286 -5.681 -25.069 1.00 71.33 H new ATOM 0 HD21 LEU A 30 -7.279 -6.179 -22.201 1.00 11.33 H new ATOM 0 HD22 LEU A 30 -8.005 -7.440 -23.225 1.00 11.33 H new ATOM 0 HD23 LEU A 30 -6.389 -7.686 -22.521 1.00 11.33 H new ATOM 511 N ALA A 31 -4.453 -8.763 -27.490 1.00 61.23 N ATOM 512 CA ALA A 31 -3.281 -9.528 -27.897 1.00 62.05 C ATOM 513 C ALA A 31 -2.453 -8.760 -28.922 1.00 40.03 C ATOM 514 O ALA A 31 -1.223 -8.770 -28.876 1.00 23.41 O ATOM 515 CB ALA A 31 -3.701 -10.878 -28.460 1.00 43.11 C ATOM 0 H ALA A 31 -5.342 -9.237 -27.648 1.00 61.23 H new ATOM 0 HA ALA A 31 -2.660 -9.691 -27.016 1.00 62.05 H new ATOM 0 HB1 ALA A 31 -2.816 -11.439 -28.760 1.00 43.11 H new ATOM 0 HB2 ALA A 31 -4.244 -11.437 -27.698 1.00 43.11 H new ATOM 0 HB3 ALA A 31 -4.345 -10.727 -29.326 1.00 43.11 H new ATOM 521 N LYS A 32 -3.135 -8.095 -29.848 1.00 53.51 N ATOM 522 CA LYS A 32 -2.464 -7.320 -30.885 1.00 62.00 C ATOM 523 C LYS A 32 -1.627 -6.201 -30.273 1.00 31.34 C ATOM 524 O LYS A 32 -0.674 -5.718 -30.885 1.00 33.13 O ATOM 525 CB LYS A 32 -3.490 -6.731 -31.856 1.00 10.05 C ATOM 526 CG LYS A 32 -4.091 -7.756 -32.801 1.00 70.24 C ATOM 527 CD LYS A 32 -5.554 -7.461 -33.088 1.00 3.32 C ATOM 528 CE LYS A 32 -5.707 -6.380 -34.147 1.00 60.12 C ATOM 529 NZ LYS A 32 -7.131 -6.182 -34.535 1.00 41.23 N ATOM 0 H LYS A 32 -4.153 -8.077 -29.902 1.00 53.51 H new ATOM 0 HA LYS A 32 -1.800 -7.990 -31.431 1.00 62.00 H new ATOM 0 HB2 LYS A 32 -4.291 -6.262 -31.285 1.00 10.05 H new ATOM 0 HB3 LYS A 32 -3.014 -5.945 -32.442 1.00 10.05 H new ATOM 0 HG2 LYS A 32 -3.530 -7.763 -33.736 1.00 70.24 H new ATOM 0 HG3 LYS A 32 -3.998 -8.751 -32.366 1.00 70.24 H new ATOM 0 HD2 LYS A 32 -6.051 -8.372 -33.422 1.00 3.32 H new ATOM 0 HD3 LYS A 32 -6.050 -7.145 -32.170 1.00 3.32 H new ATOM 0 HE2 LYS A 32 -5.299 -5.442 -33.770 1.00 60.12 H new ATOM 0 HE3 LYS A 32 -5.125 -6.650 -35.028 1.00 60.12 H new ATOM 0 HZ1 LYS A 32 -7.193 -5.437 -35.258 1.00 41.23 H new ATOM 0 HZ2 LYS A 32 -7.513 -7.070 -34.918 1.00 41.23 H new ATOM 0 HZ3 LYS A 32 -7.682 -5.900 -33.700 1.00 41.23 H new ATOM 543 N LYS A 33 -1.988 -5.794 -29.060 1.00 70.44 N ATOM 544 CA LYS A 33 -1.269 -4.735 -28.363 1.00 15.40 C ATOM 545 C LYS A 33 0.004 -5.273 -27.719 1.00 31.32 C ATOM 546 O LYS A 33 1.027 -4.590 -27.677 1.00 41.30 O ATOM 547 CB LYS A 33 -2.164 -4.100 -27.296 1.00 74.00 C ATOM 548 CG LYS A 33 -3.451 -3.515 -27.851 1.00 54.21 C ATOM 549 CD LYS A 33 -4.281 -2.857 -26.761 1.00 22.31 C ATOM 550 CE LYS A 33 -4.915 -1.563 -27.247 1.00 71.21 C ATOM 551 NZ LYS A 33 -6.148 -1.815 -28.044 1.00 45.12 N ATOM 0 H LYS A 33 -2.775 -6.182 -28.540 1.00 70.44 H new ATOM 0 HA LYS A 33 -0.991 -3.976 -29.095 1.00 15.40 H new ATOM 0 HB2 LYS A 33 -2.410 -4.852 -26.546 1.00 74.00 H new ATOM 0 HB3 LYS A 33 -1.607 -3.313 -26.788 1.00 74.00 H new ATOM 0 HG2 LYS A 33 -3.215 -2.782 -28.622 1.00 54.21 H new ATOM 0 HG3 LYS A 33 -4.034 -4.303 -28.328 1.00 54.21 H new ATOM 0 HD2 LYS A 33 -5.061 -3.544 -26.431 1.00 22.31 H new ATOM 0 HD3 LYS A 33 -3.650 -2.652 -25.896 1.00 22.31 H new ATOM 0 HE2 LYS A 33 -5.158 -0.934 -26.391 1.00 71.21 H new ATOM 0 HE3 LYS A 33 -4.197 -1.012 -27.854 1.00 71.21 H new ATOM 0 HZ1 LYS A 33 -6.550 -0.909 -28.357 1.00 45.12 H new ATOM 0 HZ2 LYS A 33 -5.912 -2.394 -28.875 1.00 45.12 H new ATOM 0 HZ3 LYS A 33 -6.844 -2.318 -27.457 1.00 45.12 H new ATOM 786 N LYS A 48 3.309 -9.622 -20.299 1.00 74.31 N ATOM 787 CA LYS A 48 1.968 -9.058 -20.195 1.00 3.31 C ATOM 788 C LYS A 48 0.992 -9.803 -21.100 1.00 2.31 C ATOM 789 O LYS A 48 -0.161 -10.030 -20.733 1.00 2.34 O ATOM 790 CB LYS A 48 1.988 -7.572 -20.562 1.00 24.20 C ATOM 791 CG LYS A 48 3.019 -6.768 -19.788 1.00 71.31 C ATOM 792 CD LYS A 48 2.816 -6.899 -18.288 1.00 11.21 C ATOM 793 CE LYS A 48 3.884 -6.142 -17.513 1.00 53.21 C ATOM 794 NZ LYS A 48 3.478 -4.736 -17.239 1.00 13.52 N ATOM 0 HA LYS A 48 1.634 -9.167 -19.163 1.00 3.31 H new ATOM 0 HB2 LYS A 48 2.188 -7.473 -21.629 1.00 24.20 H new ATOM 0 HB3 LYS A 48 1.000 -7.149 -20.382 1.00 24.20 H new ATOM 0 HG2 LYS A 48 4.020 -7.109 -20.052 1.00 71.31 H new ATOM 0 HG3 LYS A 48 2.953 -5.718 -20.075 1.00 71.31 H new ATOM 0 HD2 LYS A 48 1.831 -6.518 -18.018 1.00 11.21 H new ATOM 0 HD3 LYS A 48 2.839 -7.952 -18.007 1.00 11.21 H new ATOM 0 HE2 LYS A 48 4.080 -6.654 -16.571 1.00 53.21 H new ATOM 0 HE3 LYS A 48 4.816 -6.147 -18.079 1.00 53.21 H new ATOM 0 HZ1 LYS A 48 4.232 -4.254 -16.709 1.00 13.52 H new ATOM 0 HZ2 LYS A 48 3.315 -4.240 -18.139 1.00 13.52 H new ATOM 0 HZ3 LYS A 48 2.603 -4.731 -16.677 1.00 13.52 H new ATOM 808 N PHE A 49 1.462 -10.182 -22.284 1.00 12.12 N ATOM 809 CA PHE A 49 0.630 -10.902 -23.241 1.00 62.01 C ATOM 810 C PHE A 49 0.113 -12.205 -22.640 1.00 33.44 C ATOM 811 O PHE A 49 -1.001 -12.638 -22.934 1.00 72.44 O ATOM 812 CB PHE A 49 1.422 -11.195 -24.517 1.00 72.13 C ATOM 813 CG PHE A 49 0.706 -12.109 -25.470 1.00 55.45 C ATOM 814 CD1 PHE A 49 -0.102 -11.592 -26.471 1.00 63.13 C ATOM 815 CD2 PHE A 49 0.840 -13.484 -25.366 1.00 52.41 C ATOM 816 CE1 PHE A 49 -0.762 -12.431 -27.349 1.00 54.41 C ATOM 817 CE2 PHE A 49 0.182 -14.327 -26.241 1.00 72.23 C ATOM 818 CZ PHE A 49 -0.620 -13.800 -27.235 1.00 5.32 C ATOM 0 H PHE A 49 2.414 -10.003 -22.603 1.00 12.12 H new ATOM 0 HA PHE A 49 -0.225 -10.272 -23.488 1.00 62.01 H new ATOM 0 HB2 PHE A 49 1.641 -10.255 -25.023 1.00 72.13 H new ATOM 0 HB3 PHE A 49 2.379 -11.642 -24.247 1.00 72.13 H new ATOM 0 HD1 PHE A 49 -0.217 -10.522 -26.566 1.00 63.13 H new ATOM 0 HD2 PHE A 49 1.466 -13.902 -24.592 1.00 52.41 H new ATOM 0 HE1 PHE A 49 -1.389 -12.016 -28.124 1.00 54.41 H new ATOM 0 HE2 PHE A 49 0.295 -15.397 -26.148 1.00 72.23 H new ATOM 0 HZ PHE A 49 -1.134 -14.457 -27.921 1.00 5.32 H new ATOM 828 N SER A 50 0.930 -12.826 -21.795 1.00 63.12 N ATOM 829 CA SER A 50 0.558 -14.082 -21.155 1.00 21.30 C ATOM 830 C SER A 50 -0.633 -13.885 -20.222 1.00 2.40 C ATOM 831 O SER A 50 -1.485 -14.763 -20.092 1.00 42.01 O ATOM 832 CB SER A 50 1.744 -14.652 -20.374 1.00 14.25 C ATOM 833 OG SER A 50 2.713 -15.203 -21.248 1.00 30.53 O ATOM 0 H SER A 50 1.854 -12.479 -21.538 1.00 63.12 H new ATOM 0 HA SER A 50 0.273 -14.788 -21.935 1.00 21.30 H new ATOM 0 HB2 SER A 50 2.199 -13.865 -19.772 1.00 14.25 H new ATOM 0 HB3 SER A 50 1.394 -15.420 -19.684 1.00 14.25 H new ATOM 0 HG SER A 50 3.461 -15.559 -20.724 1.00 30.53 H new ATOM 839 N GLN A 51 -0.683 -12.725 -19.575 1.00 54.42 N ATOM 840 CA GLN A 51 -1.769 -12.411 -18.653 1.00 61.24 C ATOM 841 C GLN A 51 -3.114 -12.420 -19.373 1.00 4.10 C ATOM 842 O GLN A 51 -4.149 -12.713 -18.773 1.00 62.22 O ATOM 843 CB GLN A 51 -1.535 -11.047 -18.001 1.00 62.53 C ATOM 844 CG GLN A 51 -0.298 -10.999 -17.119 1.00 63.23 C ATOM 845 CD GLN A 51 0.324 -9.618 -17.061 1.00 12.22 C ATOM 846 OE1 GLN A 51 -0.123 -8.694 -17.742 1.00 23.22 O ATOM 847 NE2 GLN A 51 1.360 -9.469 -16.244 1.00 44.33 N ATOM 0 H GLN A 51 0.015 -11.988 -19.672 1.00 54.42 H new ATOM 0 HA GLN A 51 -1.787 -13.177 -17.878 1.00 61.24 H new ATOM 0 HB2 GLN A 51 -1.444 -10.291 -18.781 1.00 62.53 H new ATOM 0 HB3 GLN A 51 -2.408 -10.785 -17.403 1.00 62.53 H new ATOM 0 HG2 GLN A 51 -0.563 -11.317 -16.111 1.00 63.23 H new ATOM 0 HG3 GLN A 51 0.439 -11.710 -17.494 1.00 63.23 H new ATOM 0 HE21 GLN A 51 1.697 -10.262 -15.698 1.00 44.33 H new ATOM 0 HE22 GLN A 51 1.819 -8.562 -16.162 1.00 44.33 H new ATOM 856 N LEU A 52 -3.092 -12.096 -20.661 1.00 64.32 N ATOM 857 CA LEU A 52 -4.310 -12.066 -21.463 1.00 63.45 C ATOM 858 C LEU A 52 -4.923 -13.459 -21.575 1.00 2.34 C ATOM 859 O LEU A 52 -6.113 -13.645 -21.323 1.00 22.41 O ATOM 860 CB LEU A 52 -4.011 -11.515 -22.859 1.00 34.21 C ATOM 861 CG LEU A 52 -3.262 -10.183 -22.908 1.00 60.33 C ATOM 862 CD1 LEU A 52 -2.664 -9.958 -24.288 1.00 72.14 C ATOM 863 CD2 LEU A 52 -4.188 -9.036 -22.533 1.00 13.14 C ATOM 0 H LEU A 52 -2.244 -11.850 -21.172 1.00 64.32 H new ATOM 0 HA LEU A 52 -5.027 -11.412 -20.966 1.00 63.45 H new ATOM 0 HB2 LEU A 52 -3.428 -12.257 -23.404 1.00 34.21 H new ATOM 0 HB3 LEU A 52 -4.955 -11.398 -23.392 1.00 34.21 H new ATOM 0 HG LEU A 52 -2.449 -10.219 -22.183 1.00 60.33 H new ATOM 0 HD11 LEU A 52 -2.135 -9.005 -24.304 1.00 72.14 H new ATOM 0 HD12 LEU A 52 -1.967 -10.764 -24.519 1.00 72.14 H new ATOM 0 HD13 LEU A 52 -3.461 -9.943 -25.032 1.00 72.14 H new ATOM 0 HD21 LEU A 52 -3.638 -8.096 -22.573 1.00 13.14 H new ATOM 0 HD22 LEU A 52 -5.022 -8.998 -23.233 1.00 13.14 H new ATOM 0 HD23 LEU A 52 -4.568 -9.191 -21.523 1.00 13.14 H new ATOM 875 N ALA A 53 -4.101 -14.433 -21.951 1.00 72.11 N ATOM 876 CA ALA A 53 -4.562 -15.809 -22.091 1.00 44.02 C ATOM 877 C ALA A 53 -5.022 -16.373 -20.751 1.00 51.13 C ATOM 878 O ALA A 53 -5.971 -17.154 -20.690 1.00 64.31 O ATOM 879 CB ALA A 53 -3.460 -16.677 -22.680 1.00 45.25 C ATOM 0 H ALA A 53 -3.113 -14.295 -22.164 1.00 72.11 H new ATOM 0 HA ALA A 53 -5.415 -15.813 -22.769 1.00 44.02 H new ATOM 0 HB1 ALA A 53 -3.818 -17.702 -22.779 1.00 45.25 H new ATOM 0 HB2 ALA A 53 -3.180 -16.294 -23.661 1.00 45.25 H new ATOM 0 HB3 ALA A 53 -2.591 -16.658 -22.022 1.00 45.25 H new ATOM 885 N GLU A 54 -4.344 -15.972 -19.681 1.00 5.42 N ATOM 886 CA GLU A 54 -4.684 -16.439 -18.342 1.00 65.32 C ATOM 887 C GLU A 54 -6.075 -15.962 -17.936 1.00 3.30 C ATOM 888 O GLU A 54 -6.906 -16.749 -17.486 1.00 31.42 O ATOM 889 CB GLU A 54 -3.648 -15.949 -17.328 1.00 62.12 C ATOM 890 CG GLU A 54 -2.340 -16.721 -17.373 1.00 4.21 C ATOM 891 CD GLU A 54 -2.425 -18.055 -16.658 1.00 23.31 C ATOM 892 OE1 GLU A 54 -2.324 -18.068 -15.413 1.00 64.01 O ATOM 893 OE2 GLU A 54 -2.592 -19.086 -17.342 1.00 60.12 O ATOM 0 H GLU A 54 -3.556 -15.325 -19.715 1.00 5.42 H new ATOM 0 HA GLU A 54 -4.682 -17.529 -18.354 1.00 65.32 H new ATOM 0 HB2 GLU A 54 -3.444 -14.894 -17.511 1.00 62.12 H new ATOM 0 HB3 GLU A 54 -4.070 -16.023 -16.326 1.00 62.12 H new ATOM 0 HG2 GLU A 54 -2.056 -16.887 -18.412 1.00 4.21 H new ATOM 0 HG3 GLU A 54 -1.552 -16.120 -16.920 1.00 4.21 H new ATOM 900 N ALA A 55 -6.320 -14.666 -18.098 1.00 44.51 N ATOM 901 CA ALA A 55 -7.609 -14.082 -17.750 1.00 74.41 C ATOM 902 C ALA A 55 -8.692 -14.519 -18.731 1.00 41.35 C ATOM 903 O ALA A 55 -9.851 -14.696 -18.354 1.00 45.34 O ATOM 904 CB ALA A 55 -7.509 -12.565 -17.712 1.00 54.41 C ATOM 0 H ALA A 55 -5.642 -14.000 -18.468 1.00 44.51 H new ATOM 0 HA ALA A 55 -7.887 -14.441 -16.759 1.00 74.41 H new ATOM 0 HB1 ALA A 55 -8.479 -12.143 -17.451 1.00 54.41 H new ATOM 0 HB2 ALA A 55 -6.771 -12.268 -16.967 1.00 54.41 H new ATOM 0 HB3 ALA A 55 -7.204 -12.196 -18.691 1.00 54.41 H new ATOM 910 N TYR A 56 -8.307 -14.690 -19.991 1.00 53.13 N ATOM 911 CA TYR A 56 -9.246 -15.103 -21.028 1.00 12.53 C ATOM 912 C TYR A 56 -9.667 -16.556 -20.834 1.00 62.23 C ATOM 913 O TYR A 56 -10.757 -16.957 -21.241 1.00 21.13 O ATOM 914 CB TYR A 56 -8.622 -14.920 -22.412 1.00 74.34 C ATOM 915 CG TYR A 56 -9.377 -15.629 -23.514 1.00 41.05 C ATOM 916 CD1 TYR A 56 -10.405 -14.994 -24.199 1.00 54.31 C ATOM 917 CD2 TYR A 56 -9.060 -16.934 -23.872 1.00 13.02 C ATOM 918 CE1 TYR A 56 -11.098 -15.638 -25.206 1.00 42.21 C ATOM 919 CE2 TYR A 56 -9.746 -17.585 -24.879 1.00 33.45 C ATOM 920 CZ TYR A 56 -10.765 -16.933 -25.542 1.00 65.33 C ATOM 921 OH TYR A 56 -11.451 -17.578 -26.546 1.00 1.22 O ATOM 0 H TYR A 56 -7.352 -14.549 -20.319 1.00 53.13 H new ATOM 0 HA TYR A 56 -10.133 -14.474 -20.951 1.00 12.53 H new ATOM 0 HB2 TYR A 56 -8.574 -13.856 -22.642 1.00 74.34 H new ATOM 0 HB3 TYR A 56 -7.596 -15.288 -22.391 1.00 74.34 H new ATOM 0 HD1 TYR A 56 -10.667 -13.979 -23.940 1.00 54.31 H new ATOM 0 HD2 TYR A 56 -8.264 -17.448 -23.354 1.00 13.02 H new ATOM 0 HE1 TYR A 56 -11.896 -15.130 -25.727 1.00 42.21 H new ATOM 0 HE2 TYR A 56 -9.486 -18.599 -25.146 1.00 33.45 H new ATOM 0 HH TYR A 56 -11.092 -18.483 -26.658 1.00 1.22 H new ATOM 931 N GLU A 57 -8.793 -17.340 -20.210 1.00 72.21 N ATOM 932 CA GLU A 57 -9.073 -18.750 -19.963 1.00 15.44 C ATOM 933 C GLU A 57 -10.337 -18.914 -19.123 1.00 52.21 C ATOM 934 O GLU A 57 -11.232 -19.684 -19.472 1.00 21.23 O ATOM 935 CB GLU A 57 -7.889 -19.412 -19.256 1.00 2.53 C ATOM 936 CG GLU A 57 -6.880 -20.031 -20.208 1.00 52.15 C ATOM 937 CD GLU A 57 -7.255 -21.442 -20.618 1.00 41.13 C ATOM 938 OE1 GLU A 57 -7.039 -22.370 -19.811 1.00 61.54 O ATOM 939 OE2 GLU A 57 -7.764 -21.618 -21.745 1.00 4.10 O ATOM 0 H GLU A 57 -7.886 -17.023 -19.867 1.00 72.21 H new ATOM 0 HA GLU A 57 -9.230 -19.237 -20.925 1.00 15.44 H new ATOM 0 HB2 GLU A 57 -7.384 -18.669 -18.638 1.00 2.53 H new ATOM 0 HB3 GLU A 57 -8.263 -20.185 -18.584 1.00 2.53 H new ATOM 0 HG2 GLU A 57 -6.796 -19.408 -21.098 1.00 52.15 H new ATOM 0 HG3 GLU A 57 -5.899 -20.043 -19.734 1.00 52.15 H new ATOM 946 N VAL A 58 -10.403 -18.184 -18.014 1.00 3.10 N ATOM 947 CA VAL A 58 -11.556 -18.247 -17.124 1.00 60.41 C ATOM 948 C VAL A 58 -12.749 -17.506 -17.717 1.00 2.32 C ATOM 949 O VAL A 58 -13.883 -17.984 -17.658 1.00 44.42 O ATOM 950 CB VAL A 58 -11.231 -17.652 -15.741 1.00 71.41 C ATOM 951 CG1 VAL A 58 -12.454 -17.700 -14.838 1.00 55.04 C ATOM 952 CG2 VAL A 58 -10.061 -18.389 -15.106 1.00 50.33 C ATOM 0 H VAL A 58 -9.671 -17.542 -17.711 1.00 3.10 H new ATOM 0 HA VAL A 58 -11.808 -19.301 -17.007 1.00 60.41 H new ATOM 0 HB VAL A 58 -10.946 -16.608 -15.872 1.00 71.41 H new ATOM 0 HG11 VAL A 58 -12.205 -17.275 -13.865 1.00 55.04 H new ATOM 0 HG12 VAL A 58 -13.262 -17.124 -15.289 1.00 55.04 H new ATOM 0 HG13 VAL A 58 -12.772 -18.735 -14.711 1.00 55.04 H new ATOM 0 HG21 VAL A 58 -9.845 -17.956 -14.129 1.00 50.33 H new ATOM 0 HG22 VAL A 58 -10.316 -19.442 -14.987 1.00 50.33 H new ATOM 0 HG23 VAL A 58 -9.183 -18.298 -15.746 1.00 50.33 H new ATOM 962 N LEU A 59 -12.486 -16.336 -18.288 1.00 53.51 N ATOM 963 CA LEU A 59 -13.539 -15.526 -18.893 1.00 64.42 C ATOM 964 C LEU A 59 -14.095 -16.202 -20.143 1.00 23.14 C ATOM 965 O LEU A 59 -15.131 -15.799 -20.669 1.00 54.44 O ATOM 966 CB LEU A 59 -13.002 -14.138 -19.246 1.00 72.03 C ATOM 967 CG LEU A 59 -13.122 -13.074 -18.154 1.00 73.43 C ATOM 968 CD1 LEU A 59 -14.581 -12.712 -17.921 1.00 4.52 C ATOM 969 CD2 LEU A 59 -12.478 -13.560 -16.864 1.00 13.11 C ATOM 0 H LEU A 59 -11.554 -15.927 -18.345 1.00 53.51 H new ATOM 0 HA LEU A 59 -14.347 -15.423 -18.168 1.00 64.42 H new ATOM 0 HB2 LEU A 59 -11.951 -14.235 -19.517 1.00 72.03 H new ATOM 0 HB3 LEU A 59 -13.528 -13.782 -20.132 1.00 72.03 H new ATOM 0 HG LEU A 59 -12.595 -12.179 -18.485 1.00 73.43 H new ATOM 0 HD11 LEU A 59 -14.648 -11.954 -17.141 1.00 4.52 H new ATOM 0 HD12 LEU A 59 -15.011 -12.322 -18.844 1.00 4.52 H new ATOM 0 HD13 LEU A 59 -15.131 -13.600 -17.611 1.00 4.52 H new ATOM 0 HD21 LEU A 59 -12.572 -12.791 -16.098 1.00 13.11 H new ATOM 0 HD22 LEU A 59 -12.977 -14.469 -16.529 1.00 13.11 H new ATOM 0 HD23 LEU A 59 -11.423 -13.769 -17.040 1.00 13.11 H new ATOM 981 N SER A 60 -13.399 -17.234 -20.610 1.00 52.24 N ATOM 982 CA SER A 60 -13.823 -17.965 -21.799 1.00 25.01 C ATOM 983 C SER A 60 -15.032 -18.843 -21.494 1.00 74.22 C ATOM 984 O SER A 60 -15.670 -19.377 -22.402 1.00 14.40 O ATOM 985 CB SER A 60 -12.674 -18.825 -22.330 1.00 34.41 C ATOM 986 OG SER A 60 -13.136 -19.751 -23.299 1.00 14.14 O ATOM 0 H SER A 60 -12.540 -17.582 -20.184 1.00 52.24 H new ATOM 0 HA SER A 60 -14.107 -17.239 -22.561 1.00 25.01 H new ATOM 0 HB2 SER A 60 -11.909 -18.185 -22.770 1.00 34.41 H new ATOM 0 HB3 SER A 60 -12.205 -19.361 -21.505 1.00 34.41 H new ATOM 0 HG SER A 60 -14.116 -19.751 -23.311 1.00 14.14 H new ATOM 992 N ASP A 61 -15.342 -18.988 -20.210 1.00 64.35 N ATOM 993 CA ASP A 61 -16.475 -19.801 -19.784 1.00 53.42 C ATOM 994 C ASP A 61 -17.243 -19.114 -18.659 1.00 22.24 C ATOM 995 O ASP A 61 -16.655 -18.686 -17.666 1.00 33.12 O ATOM 996 CB ASP A 61 -15.998 -21.180 -19.326 1.00 53.31 C ATOM 997 CG ASP A 61 -16.966 -22.283 -19.707 1.00 11.25 C ATOM 998 OD1 ASP A 61 -16.499 -23.378 -20.083 1.00 72.51 O ATOM 999 OD2 ASP A 61 -18.190 -22.051 -19.627 1.00 14.01 O ATOM 0 H ASP A 61 -14.824 -18.553 -19.446 1.00 64.35 H new ATOM 0 HA ASP A 61 -17.144 -19.922 -20.636 1.00 53.42 H new ATOM 0 HB2 ASP A 61 -15.023 -21.388 -19.766 1.00 53.31 H new ATOM 0 HB3 ASP A 61 -15.865 -21.175 -18.244 1.00 53.31 H new ATOM 1004 N GLU A 62 -18.558 -19.013 -18.822 1.00 52.21 N ATOM 1005 CA GLU A 62 -19.405 -18.376 -17.820 1.00 30.41 C ATOM 1006 C GLU A 62 -19.246 -19.056 -16.463 1.00 0.43 C ATOM 1007 O GLU A 62 -19.171 -18.392 -15.429 1.00 14.34 O ATOM 1008 CB GLU A 62 -20.871 -18.421 -18.256 1.00 40.01 C ATOM 1009 CG GLU A 62 -21.352 -19.812 -18.634 1.00 4.01 C ATOM 1010 CD GLU A 62 -22.789 -19.821 -19.116 1.00 72.52 C ATOM 1011 OE1 GLU A 62 -23.013 -20.107 -20.311 1.00 21.31 O ATOM 1012 OE2 GLU A 62 -23.691 -19.543 -18.298 1.00 23.11 O ATOM 0 H GLU A 62 -19.060 -19.364 -19.638 1.00 52.21 H new ATOM 0 HA GLU A 62 -19.093 -17.336 -17.726 1.00 30.41 H new ATOM 0 HB2 GLU A 62 -21.494 -18.038 -17.447 1.00 40.01 H new ATOM 0 HB3 GLU A 62 -21.009 -17.754 -19.107 1.00 40.01 H new ATOM 0 HG2 GLU A 62 -20.708 -20.215 -19.416 1.00 4.01 H new ATOM 0 HG3 GLU A 62 -21.258 -20.472 -17.772 1.00 4.01 H new ATOM 1019 N VAL A 63 -19.195 -20.384 -16.474 1.00 53.24 N ATOM 1020 CA VAL A 63 -19.045 -21.154 -15.246 1.00 22.13 C ATOM 1021 C VAL A 63 -17.751 -20.792 -14.525 1.00 12.31 C ATOM 1022 O VAL A 63 -17.754 -20.504 -13.328 1.00 24.02 O ATOM 1023 CB VAL A 63 -19.056 -22.668 -15.527 1.00 63.35 C ATOM 1024 CG1 VAL A 63 -19.093 -23.454 -14.225 1.00 50.34 C ATOM 1025 CG2 VAL A 63 -20.235 -23.036 -16.416 1.00 2.05 C ATOM 0 H VAL A 63 -19.255 -20.949 -17.321 1.00 53.24 H new ATOM 0 HA VAL A 63 -19.895 -20.904 -14.611 1.00 22.13 H new ATOM 0 HB VAL A 63 -18.138 -22.929 -16.054 1.00 63.35 H new ATOM 0 HG11 VAL A 63 -19.100 -24.522 -14.445 1.00 50.34 H new ATOM 0 HG12 VAL A 63 -18.213 -23.212 -13.629 1.00 50.34 H new ATOM 0 HG13 VAL A 63 -19.992 -23.192 -13.667 1.00 50.34 H new ATOM 0 HG21 VAL A 63 -20.227 -24.110 -16.605 1.00 2.05 H new ATOM 0 HG22 VAL A 63 -21.165 -22.761 -15.919 1.00 2.05 H new ATOM 0 HG23 VAL A 63 -20.158 -22.501 -17.362 1.00 2.05 H new ATOM 1035 N LYS A 64 -16.646 -20.807 -15.262 1.00 4.12 N ATOM 1036 CA LYS A 64 -15.343 -20.478 -14.695 1.00 31.30 C ATOM 1037 C LYS A 64 -15.311 -19.034 -14.207 1.00 11.52 C ATOM 1038 O LYS A 64 -14.864 -18.754 -13.094 1.00 65.24 O ATOM 1039 CB LYS A 64 -14.241 -20.701 -15.733 1.00 71.51 C ATOM 1040 CG LYS A 64 -13.930 -22.167 -15.985 1.00 11.25 C ATOM 1041 CD LYS A 64 -12.474 -22.370 -16.367 1.00 25.14 C ATOM 1042 CE LYS A 64 -11.551 -22.161 -15.176 1.00 25.21 C ATOM 1043 NZ LYS A 64 -11.302 -23.430 -14.438 1.00 24.33 N ATOM 0 H LYS A 64 -16.626 -21.044 -16.254 1.00 4.12 H new ATOM 0 HA LYS A 64 -15.169 -21.135 -13.843 1.00 31.30 H new ATOM 0 HB2 LYS A 64 -14.538 -20.235 -16.672 1.00 71.51 H new ATOM 0 HB3 LYS A 64 -13.333 -20.198 -15.401 1.00 71.51 H new ATOM 0 HG2 LYS A 64 -14.157 -22.747 -15.090 1.00 11.25 H new ATOM 0 HG3 LYS A 64 -14.572 -22.545 -16.781 1.00 11.25 H new ATOM 0 HD2 LYS A 64 -12.337 -23.377 -16.762 1.00 25.14 H new ATOM 0 HD3 LYS A 64 -12.205 -21.676 -17.163 1.00 25.14 H new ATOM 0 HE2 LYS A 64 -10.602 -21.749 -15.520 1.00 25.21 H new ATOM 0 HE3 LYS A 64 -11.991 -21.428 -14.500 1.00 25.21 H new ATOM 0 HZ1 LYS A 64 -10.669 -23.245 -13.634 1.00 24.33 H new ATOM 0 HZ2 LYS A 64 -12.204 -23.811 -14.088 1.00 24.33 H new ATOM 0 HZ3 LYS A 64 -10.859 -24.121 -15.076 1.00 24.33 H new ATOM 1057 N ARG A 65 -15.790 -18.120 -15.045 1.00 4.22 N ATOM 1058 CA ARG A 65 -15.816 -16.704 -14.698 1.00 3.02 C ATOM 1059 C ARG A 65 -16.655 -16.466 -13.446 1.00 20.52 C ATOM 1060 O ARG A 65 -16.282 -15.681 -12.574 1.00 44.14 O ATOM 1061 CB ARG A 65 -16.373 -15.882 -15.862 1.00 4.04 C ATOM 1062 CG ARG A 65 -16.424 -14.389 -15.583 1.00 11.32 C ATOM 1063 CD ARG A 65 -17.433 -13.689 -16.480 1.00 33.03 C ATOM 1064 NE ARG A 65 -18.780 -14.231 -16.315 1.00 44.53 N ATOM 1065 CZ ARG A 65 -19.743 -14.092 -17.220 1.00 22.25 C ATOM 1066 NH1 ARG A 65 -19.509 -13.434 -18.346 1.00 53.24 N ATOM 1067 NH2 ARG A 65 -20.943 -14.614 -16.998 1.00 4.34 N ATOM 0 H ARG A 65 -16.165 -18.335 -15.969 1.00 4.22 H new ATOM 0 HA ARG A 65 -14.793 -16.387 -14.495 1.00 3.02 H new ATOM 0 HB2 ARG A 65 -15.760 -16.057 -16.746 1.00 4.04 H new ATOM 0 HB3 ARG A 65 -17.378 -16.234 -16.096 1.00 4.04 H new ATOM 0 HG2 ARG A 65 -16.687 -14.222 -14.538 1.00 11.32 H new ATOM 0 HG3 ARG A 65 -15.436 -13.955 -15.737 1.00 11.32 H new ATOM 0 HD2 ARG A 65 -17.441 -12.623 -16.254 1.00 33.03 H new ATOM 0 HD3 ARG A 65 -17.126 -13.792 -17.521 1.00 33.03 H new ATOM 0 HE ARG A 65 -18.992 -14.744 -15.459 1.00 44.53 H new ATOM 0 HH11 ARG A 65 -18.588 -13.033 -18.520 1.00 53.24 H new ATOM 0 HH12 ARG A 65 -20.250 -13.329 -19.039 1.00 53.24 H new ATOM 0 HH21 ARG A 65 -21.126 -15.122 -16.133 1.00 4.34 H new ATOM 0 HH22 ARG A 65 -21.682 -14.507 -17.693 1.00 4.34 H new ATOM 1081 N LYS A 66 -17.791 -17.150 -13.363 1.00 73.21 N ATOM 1082 CA LYS A 66 -18.684 -17.015 -12.218 1.00 73.44 C ATOM 1083 C LYS A 66 -18.076 -17.656 -10.975 1.00 44.20 C ATOM 1084 O LYS A 66 -18.109 -17.078 -9.889 1.00 50.42 O ATOM 1085 CB LYS A 66 -20.039 -17.657 -12.524 1.00 74.33 C ATOM 1086 CG LYS A 66 -20.886 -16.856 -13.498 1.00 31.01 C ATOM 1087 CD LYS A 66 -21.296 -15.517 -12.909 1.00 51.40 C ATOM 1088 CE LYS A 66 -22.188 -14.737 -13.864 1.00 25.32 C ATOM 1089 NZ LYS A 66 -23.159 -13.875 -13.136 1.00 54.02 N ATOM 0 H LYS A 66 -18.115 -17.804 -14.075 1.00 73.21 H new ATOM 0 HA LYS A 66 -18.827 -15.952 -12.024 1.00 73.44 H new ATOM 0 HB2 LYS A 66 -19.875 -18.654 -12.933 1.00 74.33 H new ATOM 0 HB3 LYS A 66 -20.591 -17.781 -11.593 1.00 74.33 H new ATOM 0 HG2 LYS A 66 -20.327 -16.693 -14.419 1.00 31.01 H new ATOM 0 HG3 LYS A 66 -21.776 -17.427 -13.762 1.00 31.01 H new ATOM 0 HD2 LYS A 66 -21.822 -15.678 -11.968 1.00 51.40 H new ATOM 0 HD3 LYS A 66 -20.406 -14.931 -12.680 1.00 51.40 H new ATOM 0 HE2 LYS A 66 -21.570 -14.118 -14.515 1.00 25.32 H new ATOM 0 HE3 LYS A 66 -22.729 -15.433 -14.505 1.00 25.32 H new ATOM 0 HZ1 LYS A 66 -23.748 -13.360 -13.821 1.00 54.02 H new ATOM 0 HZ2 LYS A 66 -23.766 -14.467 -12.534 1.00 54.02 H new ATOM 0 HZ3 LYS A 66 -22.642 -13.194 -12.543 1.00 54.02 H new