USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 552 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 CYS SG : rot -148:sc= 2.07 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 1.13 USER MOD Single : A 2 THR OG1 : rot 42:sc= 0.13 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.69! C(o=-1.7!,f=-5.1!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 170:sc= 0.555 USER MOD Single : A 26 TYR OH : rot 180:sc= -2.01! USER MOD Single : A 27 GLN : amide:sc= -2.72! C(o=-2.7!,f=-3!) USER MOD Single : A 29 MET CE :methyl -155:sc= -2.82 (180deg=-4.83!) USER MOD Single : A 32 THR OG1 : rot -87:sc= 1.04 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -98:sc= 1.08 USER MOD Single : A 35 SER OG : rot 16:sc= 1.09 USER MOD Single : A 36 LYS NZ :NH3+ 169:sc= -0.013 (180deg=-0.125) USER MOD Single : A 43 THR OG1 : rot 70:sc= 0.642 USER MOD Single : A 44 LYS NZ :NH3+ 148:sc= 1.1 (180deg=-0.471!) USER MOD Single : A 45 LYS NZ :NH3+ -162:sc= 1.21 (180deg=1.16) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 168:sc= -0.0222 (180deg=-0.229) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.00688 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 74:sc= 0.986 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.239 USER MOD Single : A 68 GLN : amide:sc= -0.414 X(o=-0.41,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 2 -6.367 -2.072 -22.554 1.00 70.32 N ATOM 39 CA THR A 2 -6.355 -1.247 -21.400 1.00 34.30 C ATOM 40 C THR A 2 -7.174 -1.915 -20.319 1.00 3.23 C ATOM 41 O THR A 2 -8.365 -2.157 -20.503 1.00 74.44 O ATOM 42 CB THR A 2 -6.958 0.135 -21.726 1.00 1.51 C ATOM 43 OG1 THR A 2 -6.241 0.715 -22.837 1.00 22.40 O ATOM 44 CG2 THR A 2 -6.856 1.062 -20.525 1.00 64.33 C ATOM 0 HA THR A 2 -5.328 -1.108 -21.062 1.00 34.30 H new ATOM 0 HB THR A 2 -8.010 0.008 -21.981 1.00 1.51 H new ATOM 0 HG1 THR A 2 -6.068 0.025 -23.511 1.00 22.40 H new ATOM 0 HG21 THR A 2 -7.287 2.031 -20.776 1.00 64.33 H new ATOM 0 HG22 THR A 2 -7.399 0.630 -19.685 1.00 64.33 H new ATOM 0 HG23 THR A 2 -5.808 1.190 -20.252 1.00 64.33 H new ATOM 52 N VAL A 3 -6.539 -2.238 -19.227 1.00 44.24 N ATOM 53 CA VAL A 3 -7.222 -2.858 -18.125 1.00 52.41 C ATOM 54 C VAL A 3 -7.369 -1.821 -17.032 1.00 44.42 C ATOM 55 O VAL A 3 -6.419 -1.075 -16.747 1.00 20.03 O ATOM 56 CB VAL A 3 -6.427 -4.055 -17.541 1.00 32.23 C ATOM 57 CG1 VAL A 3 -7.240 -4.799 -16.537 1.00 32.31 C ATOM 58 CG2 VAL A 3 -5.934 -5.009 -18.591 1.00 63.45 C ATOM 0 H VAL A 3 -5.543 -2.081 -19.076 1.00 44.24 H new ATOM 0 HA VAL A 3 -8.182 -3.230 -18.483 1.00 52.41 H new ATOM 0 HB VAL A 3 -5.552 -3.620 -17.059 1.00 32.23 H new ATOM 0 HG11 VAL A 3 -6.658 -5.633 -16.144 1.00 32.31 H new ATOM 0 HG12 VAL A 3 -7.512 -4.130 -15.721 1.00 32.31 H new ATOM 0 HG13 VAL A 3 -8.145 -5.179 -17.011 1.00 32.31 H new ATOM 0 HG21 VAL A 3 -5.386 -5.822 -18.115 1.00 63.45 H new ATOM 0 HG22 VAL A 3 -6.783 -5.416 -19.141 1.00 63.45 H new ATOM 0 HG23 VAL A 3 -5.274 -4.482 -19.280 1.00 63.45 H new ATOM 68 N TYR A 4 -8.536 -1.738 -16.455 1.00 22.41 N ATOM 69 CA TYR A 4 -8.781 -0.808 -15.389 1.00 52.42 C ATOM 70 C TYR A 4 -8.736 -1.516 -14.036 1.00 52.00 C ATOM 71 O TYR A 4 -9.359 -2.572 -13.849 1.00 24.24 O ATOM 72 CB TYR A 4 -10.107 -0.093 -15.612 1.00 31.35 C ATOM 73 CG TYR A 4 -10.135 0.708 -16.902 1.00 42.23 C ATOM 74 CD1 TYR A 4 -10.484 0.117 -18.113 1.00 44.35 C ATOM 75 CD2 TYR A 4 -9.803 2.047 -16.910 1.00 35.34 C ATOM 76 CE1 TYR A 4 -10.500 0.843 -19.285 1.00 41.12 C ATOM 77 CE2 TYR A 4 -9.816 2.781 -18.075 1.00 0.11 C ATOM 78 CZ TYR A 4 -10.164 2.181 -19.259 1.00 4.32 C ATOM 79 OH TYR A 4 -10.173 2.920 -20.423 1.00 64.21 O ATOM 0 H TYR A 4 -9.341 -2.311 -16.710 1.00 22.41 H new ATOM 0 HA TYR A 4 -7.993 -0.054 -15.385 1.00 52.42 H new ATOM 0 HB2 TYR A 4 -10.912 -0.828 -15.628 1.00 31.35 H new ATOM 0 HB3 TYR A 4 -10.301 0.574 -14.772 1.00 31.35 H new ATOM 0 HD1 TYR A 4 -10.747 -0.930 -18.135 1.00 44.35 H new ATOM 0 HD2 TYR A 4 -9.527 2.529 -15.984 1.00 35.34 H new ATOM 0 HE1 TYR A 4 -10.773 0.368 -20.216 1.00 41.12 H new ATOM 0 HE2 TYR A 4 -9.552 3.828 -18.057 1.00 0.11 H new ATOM 0 HH TYR A 4 -9.913 3.844 -20.226 1.00 64.21 H new ATOM 89 N ILE A 5 -7.978 -0.956 -13.115 1.00 51.53 N ATOM 90 CA ILE A 5 -7.807 -1.521 -11.787 1.00 12.24 C ATOM 91 C ILE A 5 -8.412 -0.574 -10.759 1.00 21.04 C ATOM 92 O ILE A 5 -8.021 0.577 -10.676 1.00 5.32 O ATOM 93 CB ILE A 5 -6.289 -1.674 -11.354 1.00 60.55 C ATOM 94 CG1 ILE A 5 -5.396 -2.525 -12.283 1.00 22.14 C ATOM 95 CG2 ILE A 5 -6.194 -2.252 -9.943 1.00 21.34 C ATOM 96 CD1 ILE A 5 -5.234 -2.055 -13.717 1.00 41.03 C ATOM 0 H ILE A 5 -7.459 -0.091 -13.265 1.00 51.53 H new ATOM 0 HA ILE A 5 -8.281 -2.502 -11.824 1.00 12.24 H new ATOM 0 HB ILE A 5 -5.902 -0.657 -11.414 1.00 60.55 H new ATOM 0 HG12 ILE A 5 -4.405 -2.586 -11.834 1.00 22.14 H new ATOM 0 HG13 ILE A 5 -5.799 -3.537 -12.304 1.00 22.14 H new ATOM 0 HG21 ILE A 5 -5.146 -2.351 -9.660 1.00 21.34 H new ATOM 0 HG22 ILE A 5 -6.698 -1.586 -9.242 1.00 21.34 H new ATOM 0 HG23 ILE A 5 -6.671 -3.232 -9.918 1.00 21.34 H new ATOM 0 HD11 ILE A 5 -4.583 -2.744 -14.254 1.00 41.03 H new ATOM 0 HD12 ILE A 5 -6.210 -2.024 -14.202 1.00 41.03 H new ATOM 0 HD13 ILE A 5 -4.793 -1.058 -13.726 1.00 41.03 H new ATOM 108 N CYS A 6 -9.350 -1.029 -10.019 1.00 14.34 N ATOM 109 CA CYS A 6 -9.822 -0.298 -8.894 1.00 14.31 C ATOM 110 C CYS A 6 -9.751 -1.195 -7.684 1.00 44.21 C ATOM 111 O CYS A 6 -10.622 -2.045 -7.483 1.00 1.03 O ATOM 112 CB CYS A 6 -11.224 0.254 -9.078 1.00 52.22 C ATOM 113 SG CYS A 6 -11.804 1.212 -7.667 1.00 2.42 S ATOM 0 H CYS A 6 -9.818 -1.922 -10.172 1.00 14.34 H new ATOM 0 HA CYS A 6 -9.183 0.576 -8.765 1.00 14.31 H new ATOM 0 HB2 CYS A 6 -11.246 0.882 -9.968 1.00 52.22 H new ATOM 0 HB3 CYS A 6 -11.912 -0.573 -9.255 1.00 52.22 H new ATOM 0 HG CYS A 6 -13.093 1.086 -7.558 1.00 2.42 H new ATOM 119 N PRO A 7 -8.707 -1.054 -6.870 1.00 70.41 N ATOM 120 CA PRO A 7 -8.510 -1.898 -5.682 1.00 74.20 C ATOM 121 C PRO A 7 -9.424 -1.504 -4.518 1.00 62.44 C ATOM 122 O PRO A 7 -9.229 -1.938 -3.374 1.00 73.42 O ATOM 123 CB PRO A 7 -7.053 -1.632 -5.322 1.00 3.50 C ATOM 124 CG PRO A 7 -6.793 -0.241 -5.788 1.00 72.40 C ATOM 125 CD PRO A 7 -7.614 -0.058 -7.030 1.00 42.32 C ATOM 0 HA PRO A 7 -8.744 -2.944 -5.878 1.00 74.20 H new ATOM 0 HB2 PRO A 7 -6.887 -1.727 -4.249 1.00 3.50 H new ATOM 0 HB3 PRO A 7 -6.388 -2.344 -5.812 1.00 3.50 H new ATOM 0 HG2 PRO A 7 -7.074 0.485 -5.025 1.00 72.40 H new ATOM 0 HG3 PRO A 7 -5.733 -0.091 -5.996 1.00 72.40 H new ATOM 0 HD2 PRO A 7 -8.004 0.957 -7.108 1.00 42.32 H new ATOM 0 HD3 PRO A 7 -7.028 -0.245 -7.930 1.00 42.32 H new ATOM 133 N GLU A 8 -10.416 -0.699 -4.815 1.00 3.54 N ATOM 134 CA GLU A 8 -11.324 -0.198 -3.823 1.00 41.12 C ATOM 135 C GLU A 8 -12.714 -0.715 -4.068 1.00 42.51 C ATOM 136 O GLU A 8 -13.262 -1.467 -3.271 1.00 13.33 O ATOM 137 CB GLU A 8 -11.357 1.317 -3.888 1.00 64.13 C ATOM 138 CG GLU A 8 -10.001 1.925 -3.834 1.00 64.44 C ATOM 139 CD GLU A 8 -10.027 3.413 -3.856 1.00 35.11 C ATOM 140 OE1 GLU A 8 -10.153 4.023 -2.782 1.00 21.10 O ATOM 141 OE2 GLU A 8 -9.893 4.005 -4.935 1.00 13.11 O ATOM 0 H GLU A 8 -10.613 -0.373 -5.761 1.00 3.54 H new ATOM 0 HA GLU A 8 -10.981 -0.532 -2.844 1.00 41.12 H new ATOM 0 HB2 GLU A 8 -11.853 1.626 -4.808 1.00 64.13 H new ATOM 0 HB3 GLU A 8 -11.955 1.699 -3.060 1.00 64.13 H new ATOM 0 HG2 GLU A 8 -9.495 1.590 -2.929 1.00 64.44 H new ATOM 0 HG3 GLU A 8 -9.414 1.565 -4.679 1.00 64.44 H new ATOM 148 N THR A 9 -13.273 -0.318 -5.185 1.00 24.34 N ATOM 149 CA THR A 9 -14.640 -0.612 -5.488 1.00 54.11 C ATOM 150 C THR A 9 -14.788 -1.720 -6.538 1.00 30.33 C ATOM 151 O THR A 9 -15.896 -2.191 -6.798 1.00 45.22 O ATOM 152 CB THR A 9 -15.354 0.682 -5.937 1.00 63.41 C ATOM 153 OG1 THR A 9 -14.688 1.225 -7.099 1.00 73.50 O ATOM 154 CG2 THR A 9 -15.282 1.714 -4.817 1.00 44.43 C ATOM 0 H THR A 9 -12.788 0.217 -5.905 1.00 24.34 H new ATOM 0 HA THR A 9 -15.111 -0.993 -4.582 1.00 54.11 H new ATOM 0 HB THR A 9 -16.393 0.452 -6.174 1.00 63.41 H new ATOM 0 HG1 THR A 9 -15.143 2.045 -7.383 1.00 73.50 H new ATOM 0 HG21 THR A 9 -15.785 2.628 -5.132 1.00 44.43 H new ATOM 0 HG22 THR A 9 -15.771 1.319 -3.926 1.00 44.43 H new ATOM 0 HG23 THR A 9 -14.239 1.934 -4.591 1.00 44.43 H new ATOM 162 N GLY A 10 -13.679 -2.147 -7.127 1.00 2.22 N ATOM 163 CA GLY A 10 -13.752 -3.202 -8.124 1.00 53.21 C ATOM 164 C GLY A 10 -13.285 -4.526 -7.560 1.00 42.10 C ATOM 165 O GLY A 10 -13.067 -4.648 -6.350 1.00 42.23 O ATOM 0 H GLY A 10 -12.743 -1.790 -6.938 1.00 2.22 H new ATOM 0 HA2 GLY A 10 -14.778 -3.298 -8.480 1.00 53.21 H new ATOM 0 HA3 GLY A 10 -13.139 -2.935 -8.985 1.00 53.21 H new ATOM 169 N ASP A 11 -13.088 -5.492 -8.422 1.00 33.31 N ATOM 170 CA ASP A 11 -12.753 -6.843 -8.017 1.00 62.45 C ATOM 171 C ASP A 11 -12.032 -7.542 -9.139 1.00 11.41 C ATOM 172 O ASP A 11 -12.315 -7.296 -10.310 1.00 20.30 O ATOM 173 CB ASP A 11 -14.006 -7.620 -7.627 1.00 1.44 C ATOM 174 CG ASP A 11 -13.693 -9.027 -7.210 1.00 12.11 C ATOM 175 OD1 ASP A 11 -13.196 -9.224 -6.094 1.00 30.44 O ATOM 176 OD2 ASP A 11 -13.941 -9.950 -8.005 1.00 62.34 O ATOM 0 H ASP A 11 -13.155 -5.367 -9.432 1.00 33.31 H new ATOM 0 HA ASP A 11 -12.102 -6.796 -7.144 1.00 62.45 H new ATOM 0 HB2 ASP A 11 -14.512 -7.105 -6.810 1.00 1.44 H new ATOM 0 HB3 ASP A 11 -14.697 -7.638 -8.469 1.00 1.44 H new ATOM 181 N ASP A 12 -11.094 -8.403 -8.802 1.00 64.22 N ATOM 182 CA ASP A 12 -10.287 -9.091 -9.824 1.00 31.00 C ATOM 183 C ASP A 12 -11.055 -10.211 -10.514 1.00 25.14 C ATOM 184 O ASP A 12 -10.562 -10.818 -11.455 1.00 42.14 O ATOM 185 CB ASP A 12 -8.961 -9.622 -9.266 1.00 22.34 C ATOM 186 CG ASP A 12 -9.121 -10.726 -8.251 1.00 63.43 C ATOM 187 OD1 ASP A 12 -9.242 -10.425 -7.060 1.00 72.12 O ATOM 188 OD2 ASP A 12 -9.104 -11.898 -8.628 1.00 42.34 O ATOM 0 H ASP A 12 -10.863 -8.651 -7.840 1.00 64.22 H new ATOM 0 HA ASP A 12 -10.055 -8.332 -10.571 1.00 31.00 H new ATOM 0 HB2 ASP A 12 -8.351 -9.988 -10.092 1.00 22.34 H new ATOM 0 HB3 ASP A 12 -8.415 -8.797 -8.808 1.00 22.34 H new ATOM 193 N GLY A 13 -12.263 -10.472 -10.057 1.00 72.45 N ATOM 194 CA GLY A 13 -13.099 -11.462 -10.683 1.00 22.41 C ATOM 195 C GLY A 13 -13.885 -10.874 -11.836 1.00 3.32 C ATOM 196 O GLY A 13 -14.693 -11.566 -12.465 1.00 73.44 O ATOM 0 H GLY A 13 -12.684 -10.008 -9.252 1.00 72.45 H new ATOM 0 HA2 GLY A 13 -12.482 -12.285 -11.044 1.00 22.41 H new ATOM 0 HA3 GLY A 13 -13.787 -11.878 -9.947 1.00 22.41 H new ATOM 200 N ASN A 14 -13.658 -9.593 -12.100 1.00 74.01 N ATOM 201 CA ASN A 14 -14.304 -8.898 -13.201 1.00 21.51 C ATOM 202 C ASN A 14 -13.547 -9.095 -14.503 1.00 30.23 C ATOM 203 O ASN A 14 -12.561 -9.835 -14.566 1.00 42.11 O ATOM 204 CB ASN A 14 -14.434 -7.387 -12.940 1.00 55.44 C ATOM 205 CG ASN A 14 -15.447 -6.992 -11.886 1.00 51.13 C ATOM 206 OD1 ASN A 14 -16.646 -6.887 -12.159 1.00 11.32 O ATOM 207 ND2 ASN A 14 -14.982 -6.657 -10.746 1.00 31.32 N ATOM 0 H ASN A 14 -13.022 -9.010 -11.557 1.00 74.01 H new ATOM 0 HA ASN A 14 -15.300 -9.332 -13.282 1.00 21.51 H new ATOM 0 HB2 ASN A 14 -13.458 -7.002 -12.644 1.00 55.44 H new ATOM 0 HB3 ASN A 14 -14.699 -6.896 -13.876 1.00 55.44 H new ATOM 0 HD21 ASN A 14 -15.607 -6.290 -10.028 1.00 31.32 H new ATOM 0 HD22 ASN A 14 -13.985 -6.756 -10.552 1.00 31.32 H new ATOM 214 N ASP A 15 -14.012 -8.413 -15.543 1.00 5.41 N ATOM 215 CA ASP A 15 -13.394 -8.474 -16.871 1.00 15.15 C ATOM 216 C ASP A 15 -12.297 -7.438 -17.001 1.00 52.34 C ATOM 217 O ASP A 15 -11.556 -7.429 -17.975 1.00 24.22 O ATOM 218 CB ASP A 15 -14.431 -8.233 -17.972 1.00 72.23 C ATOM 219 CG ASP A 15 -15.543 -9.240 -17.973 1.00 60.21 C ATOM 220 OD1 ASP A 15 -15.354 -10.349 -18.513 1.00 35.31 O ATOM 221 OD2 ASP A 15 -16.623 -8.939 -17.427 1.00 12.21 O ATOM 0 H ASP A 15 -14.827 -7.802 -15.494 1.00 5.41 H new ATOM 0 HA ASP A 15 -12.971 -9.472 -16.985 1.00 15.15 H new ATOM 0 HB2 ASP A 15 -14.854 -7.236 -17.851 1.00 72.23 H new ATOM 0 HB3 ASP A 15 -13.932 -8.252 -18.941 1.00 72.23 H new ATOM 226 N GLY A 16 -12.209 -6.564 -16.019 1.00 14.52 N ATOM 227 CA GLY A 16 -11.203 -5.525 -16.022 1.00 71.24 C ATOM 228 C GLY A 16 -11.504 -4.358 -16.931 1.00 11.24 C ATOM 229 O GLY A 16 -10.607 -3.608 -17.308 1.00 74.02 O ATOM 0 H GLY A 16 -12.825 -6.554 -15.206 1.00 14.52 H new ATOM 0 HA2 GLY A 16 -11.081 -5.153 -15.005 1.00 71.24 H new ATOM 0 HA3 GLY A 16 -10.249 -5.962 -16.318 1.00 71.24 H new ATOM 233 N SER A 17 -12.750 -4.196 -17.274 1.00 74.41 N ATOM 234 CA SER A 17 -13.164 -3.093 -18.099 1.00 3.43 C ATOM 235 C SER A 17 -13.392 -1.849 -17.220 1.00 0.51 C ATOM 236 O SER A 17 -13.309 -1.941 -16.003 1.00 24.24 O ATOM 237 CB SER A 17 -14.407 -3.484 -18.870 1.00 62.13 C ATOM 238 OG SER A 17 -14.142 -4.627 -19.679 1.00 53.24 O ATOM 0 H SER A 17 -13.506 -4.820 -16.992 1.00 74.41 H new ATOM 0 HA SER A 17 -12.388 -2.845 -18.823 1.00 3.43 H new ATOM 0 HB2 SER A 17 -15.221 -3.700 -18.178 1.00 62.13 H new ATOM 0 HB3 SER A 17 -14.732 -2.653 -19.496 1.00 62.13 H new ATOM 0 HG SER A 17 -14.952 -4.873 -20.172 1.00 53.24 H new ATOM 244 N GLU A 18 -13.693 -0.707 -17.826 1.00 63.01 N ATOM 245 CA GLU A 18 -13.807 0.551 -17.083 1.00 1.24 C ATOM 246 C GLU A 18 -14.951 0.488 -16.035 1.00 11.22 C ATOM 247 O GLU A 18 -14.867 1.109 -14.978 1.00 32.54 O ATOM 248 CB GLU A 18 -14.017 1.711 -18.059 1.00 23.25 C ATOM 249 CG GLU A 18 -13.785 3.087 -17.487 1.00 25.34 C ATOM 250 CD GLU A 18 -14.020 4.173 -18.518 1.00 5.20 C ATOM 251 OE1 GLU A 18 -13.080 4.518 -19.274 1.00 62.13 O ATOM 252 OE2 GLU A 18 -15.149 4.691 -18.598 1.00 13.11 O ATOM 0 H GLU A 18 -13.863 -0.622 -18.828 1.00 63.01 H new ATOM 0 HA GLU A 18 -12.879 0.715 -16.535 1.00 1.24 H new ATOM 0 HB2 GLU A 18 -13.350 1.573 -18.910 1.00 23.25 H new ATOM 0 HB3 GLU A 18 -15.037 1.662 -18.441 1.00 23.25 H new ATOM 0 HG2 GLU A 18 -14.449 3.244 -16.637 1.00 25.34 H new ATOM 0 HG3 GLU A 18 -12.764 3.157 -17.112 1.00 25.34 H new ATOM 259 N LEU A 19 -16.005 -0.281 -16.338 1.00 53.13 N ATOM 260 CA LEU A 19 -17.135 -0.438 -15.415 1.00 31.12 C ATOM 261 C LEU A 19 -16.957 -1.607 -14.477 1.00 35.31 C ATOM 262 O LEU A 19 -17.711 -1.765 -13.516 1.00 42.35 O ATOM 263 CB LEU A 19 -18.434 -0.582 -16.160 1.00 71.24 C ATOM 264 CG LEU A 19 -18.852 0.619 -16.978 1.00 63.15 C ATOM 265 CD1 LEU A 19 -20.173 0.350 -17.590 1.00 55.14 C ATOM 266 CD2 LEU A 19 -18.919 1.869 -16.116 1.00 51.31 C ATOM 0 H LEU A 19 -16.098 -0.801 -17.210 1.00 53.13 H new ATOM 0 HA LEU A 19 -17.164 0.472 -14.816 1.00 31.12 H new ATOM 0 HB2 LEU A 19 -18.358 -1.443 -16.824 1.00 71.24 H new ATOM 0 HB3 LEU A 19 -19.223 -0.802 -15.441 1.00 71.24 H new ATOM 0 HG LEU A 19 -18.111 0.791 -17.758 1.00 63.15 H new ATOM 0 HD11 LEU A 19 -20.482 1.212 -18.182 1.00 55.14 H new ATOM 0 HD12 LEU A 19 -20.104 -0.527 -18.234 1.00 55.14 H new ATOM 0 HD13 LEU A 19 -20.907 0.167 -16.805 1.00 55.14 H new ATOM 0 HD21 LEU A 19 -19.222 2.718 -16.729 1.00 51.31 H new ATOM 0 HD22 LEU A 19 -19.645 1.721 -15.317 1.00 51.31 H new ATOM 0 HD23 LEU A 19 -17.938 2.066 -15.683 1.00 51.31 H new ATOM 278 N LYS A 20 -15.970 -2.423 -14.744 1.00 15.51 N ATOM 279 CA LYS A 20 -15.685 -3.573 -13.908 1.00 72.11 C ATOM 280 C LYS A 20 -14.211 -3.666 -13.715 1.00 41.34 C ATOM 281 O LYS A 20 -13.545 -4.470 -14.367 1.00 33.22 O ATOM 282 CB LYS A 20 -16.168 -4.879 -14.504 1.00 44.24 C ATOM 283 CG LYS A 20 -17.643 -4.942 -14.855 1.00 41.42 C ATOM 284 CD LYS A 20 -17.999 -6.331 -15.328 1.00 52.31 C ATOM 285 CE LYS A 20 -19.485 -6.487 -15.581 1.00 64.31 C ATOM 286 NZ LYS A 20 -19.820 -7.874 -15.949 1.00 50.31 N ATOM 0 H LYS A 20 -15.342 -2.315 -15.540 1.00 15.51 H new ATOM 0 HA LYS A 20 -16.216 -3.426 -12.967 1.00 72.11 H new ATOM 0 HB2 LYS A 20 -15.591 -5.080 -15.407 1.00 44.24 H new ATOM 0 HB3 LYS A 20 -15.947 -5.681 -13.800 1.00 44.24 H new ATOM 0 HG2 LYS A 20 -18.245 -4.679 -13.985 1.00 41.42 H new ATOM 0 HG3 LYS A 20 -17.872 -4.213 -15.633 1.00 41.42 H new ATOM 0 HD2 LYS A 20 -17.451 -6.552 -16.244 1.00 52.31 H new ATOM 0 HD3 LYS A 20 -17.681 -7.059 -14.582 1.00 52.31 H new ATOM 0 HE2 LYS A 20 -20.041 -6.201 -14.688 1.00 64.31 H new ATOM 0 HE3 LYS A 20 -19.794 -5.812 -16.379 1.00 64.31 H new ATOM 0 HZ1 LYS A 20 -20.844 -7.951 -16.116 1.00 50.31 H new ATOM 0 HZ2 LYS A 20 -19.307 -8.137 -16.814 1.00 50.31 H new ATOM 0 HZ3 LYS A 20 -19.546 -8.514 -15.176 1.00 50.31 H new ATOM 300 N PRO A 21 -13.674 -2.832 -12.877 1.00 54.33 N ATOM 301 CA PRO A 21 -12.263 -2.779 -12.662 1.00 60.31 C ATOM 302 C PRO A 21 -11.778 -3.915 -11.782 1.00 14.34 C ATOM 303 O PRO A 21 -12.511 -4.412 -10.913 1.00 51.22 O ATOM 304 CB PRO A 21 -12.055 -1.430 -11.996 1.00 44.33 C ATOM 305 CG PRO A 21 -13.348 -1.123 -11.320 1.00 53.41 C ATOM 306 CD PRO A 21 -14.411 -1.864 -12.055 1.00 44.43 C ATOM 0 HA PRO A 21 -11.697 -2.888 -13.587 1.00 60.31 H new ATOM 0 HB2 PRO A 21 -11.235 -1.467 -11.279 1.00 44.33 H new ATOM 0 HB3 PRO A 21 -11.803 -0.664 -12.729 1.00 44.33 H new ATOM 0 HG2 PRO A 21 -13.318 -1.428 -10.274 1.00 53.41 H new ATOM 0 HG3 PRO A 21 -13.545 -0.051 -11.334 1.00 53.41 H new ATOM 0 HD2 PRO A 21 -15.095 -2.364 -11.369 1.00 44.43 H new ATOM 0 HD3 PRO A 21 -15.010 -1.194 -12.671 1.00 44.43 H new ATOM 314 N LEU A 22 -10.565 -4.335 -12.022 1.00 64.44 N ATOM 315 CA LEU A 22 -9.956 -5.394 -11.265 1.00 11.22 C ATOM 316 C LEU A 22 -9.456 -4.825 -9.980 1.00 11.41 C ATOM 317 O LEU A 22 -9.184 -3.657 -9.908 1.00 71.55 O ATOM 318 CB LEU A 22 -8.813 -5.996 -12.051 1.00 23.51 C ATOM 319 CG LEU A 22 -9.188 -6.564 -13.409 1.00 73.33 C ATOM 320 CD1 LEU A 22 -7.972 -7.061 -14.120 1.00 23.30 C ATOM 321 CD2 LEU A 22 -10.220 -7.671 -13.272 1.00 34.34 C ATOM 0 H LEU A 22 -9.968 -3.949 -12.753 1.00 64.44 H new ATOM 0 HA LEU A 22 -10.684 -6.180 -11.063 1.00 11.22 H new ATOM 0 HB2 LEU A 22 -8.049 -5.232 -12.193 1.00 23.51 H new ATOM 0 HB3 LEU A 22 -8.362 -6.790 -11.455 1.00 23.51 H new ATOM 0 HG LEU A 22 -9.633 -5.764 -14.001 1.00 73.33 H new ATOM 0 HD11 LEU A 22 -8.258 -7.465 -15.091 1.00 23.30 H new ATOM 0 HD12 LEU A 22 -7.271 -6.238 -14.261 1.00 23.30 H new ATOM 0 HD13 LEU A 22 -7.498 -7.843 -13.527 1.00 23.30 H new ATOM 0 HD21 LEU A 22 -10.470 -8.059 -14.259 1.00 34.34 H new ATOM 0 HD22 LEU A 22 -9.812 -8.474 -12.658 1.00 34.34 H new ATOM 0 HD23 LEU A 22 -11.119 -7.274 -12.800 1.00 34.34 H new ATOM 333 N ARG A 23 -9.331 -5.624 -8.968 1.00 2.45 N ATOM 334 CA ARG A 23 -8.914 -5.084 -7.695 1.00 65.21 C ATOM 335 C ARG A 23 -7.410 -5.215 -7.499 1.00 30.34 C ATOM 336 O ARG A 23 -6.853 -4.757 -6.507 1.00 54.14 O ATOM 337 CB ARG A 23 -9.701 -5.708 -6.556 1.00 71.45 C ATOM 338 CG ARG A 23 -9.429 -7.169 -6.296 1.00 71.31 C ATOM 339 CD ARG A 23 -10.291 -7.674 -5.161 1.00 43.55 C ATOM 340 NE ARG A 23 -10.083 -9.088 -4.891 1.00 53.11 N ATOM 341 CZ ARG A 23 -10.533 -9.721 -3.807 1.00 13.23 C ATOM 342 NH1 ARG A 23 -11.327 -9.088 -2.948 1.00 14.22 N ATOM 343 NH2 ARG A 23 -10.230 -10.991 -3.606 1.00 42.43 N ATOM 0 H ARG A 23 -9.505 -6.629 -8.986 1.00 2.45 H new ATOM 0 HA ARG A 23 -9.136 -4.017 -7.692 1.00 65.21 H new ATOM 0 HB2 ARG A 23 -9.489 -5.150 -5.644 1.00 71.45 H new ATOM 0 HB3 ARG A 23 -10.764 -5.587 -6.764 1.00 71.45 H new ATOM 0 HG2 ARG A 23 -9.628 -7.748 -7.198 1.00 71.31 H new ATOM 0 HG3 ARG A 23 -8.376 -7.311 -6.052 1.00 71.31 H new ATOM 0 HD2 ARG A 23 -10.074 -7.100 -4.261 1.00 43.55 H new ATOM 0 HD3 ARG A 23 -11.340 -7.504 -5.402 1.00 43.55 H new ATOM 0 HE ARG A 23 -9.558 -9.631 -5.576 1.00 53.11 H new ATOM 0 HH11 ARG A 23 -11.592 -8.118 -3.118 1.00 14.22 H new ATOM 0 HH12 ARG A 23 -11.671 -9.573 -2.119 1.00 14.22 H new ATOM 0 HH21 ARG A 23 -9.650 -11.490 -4.281 1.00 42.43 H new ATOM 0 HH22 ARG A 23 -10.576 -11.473 -2.776 1.00 42.43 H new ATOM 357 N THR A 24 -6.760 -5.824 -8.457 1.00 13.53 N ATOM 358 CA THR A 24 -5.336 -5.960 -8.430 1.00 64.43 C ATOM 359 C THR A 24 -4.776 -5.845 -9.811 1.00 10.31 C ATOM 360 O THR A 24 -5.425 -6.222 -10.805 1.00 15.55 O ATOM 361 CB THR A 24 -4.835 -7.285 -7.761 1.00 34.25 C ATOM 362 OG1 THR A 24 -3.407 -7.390 -7.857 1.00 11.42 O ATOM 363 CG2 THR A 24 -5.495 -8.521 -8.355 1.00 65.13 C ATOM 0 H THR A 24 -7.207 -6.238 -9.275 1.00 13.53 H new ATOM 0 HA THR A 24 -4.972 -5.144 -7.806 1.00 64.43 H new ATOM 0 HB THR A 24 -5.122 -7.238 -6.711 1.00 34.25 H new ATOM 0 HG1 THR A 24 -3.095 -8.133 -7.299 1.00 11.42 H new ATOM 0 HG21 THR A 24 -5.113 -9.412 -7.857 1.00 65.13 H new ATOM 0 HG22 THR A 24 -6.574 -8.460 -8.214 1.00 65.13 H new ATOM 0 HG23 THR A 24 -5.271 -8.577 -9.420 1.00 65.13 H new ATOM 371 N LEU A 25 -3.591 -5.324 -9.871 1.00 55.30 N ATOM 372 CA LEU A 25 -2.854 -5.177 -11.079 1.00 53.40 C ATOM 373 C LEU A 25 -2.367 -6.554 -11.534 1.00 34.31 C ATOM 374 O LEU A 25 -2.062 -6.769 -12.713 1.00 22.50 O ATOM 375 CB LEU A 25 -1.699 -4.229 -10.813 1.00 12.55 C ATOM 376 CG LEU A 25 -0.810 -3.866 -11.978 1.00 42.23 C ATOM 377 CD1 LEU A 25 -1.627 -3.267 -13.114 1.00 75.51 C ATOM 378 CD2 LEU A 25 0.232 -2.882 -11.505 1.00 42.33 C ATOM 0 H LEU A 25 -3.096 -4.978 -9.049 1.00 55.30 H new ATOM 0 HA LEU A 25 -3.470 -4.761 -11.877 1.00 53.40 H new ATOM 0 HB2 LEU A 25 -2.109 -3.306 -10.403 1.00 12.55 H new ATOM 0 HB3 LEU A 25 -1.073 -4.671 -10.038 1.00 12.55 H new ATOM 0 HG LEU A 25 -0.324 -4.765 -12.356 1.00 42.23 H new ATOM 0 HD11 LEU A 25 -0.966 -3.013 -13.943 1.00 75.51 H new ATOM 0 HD12 LEU A 25 -2.369 -3.992 -13.450 1.00 75.51 H new ATOM 0 HD13 LEU A 25 -2.132 -2.367 -12.764 1.00 75.51 H new ATOM 0 HD21 LEU A 25 0.881 -2.611 -12.338 1.00 42.33 H new ATOM 0 HD22 LEU A 25 -0.259 -1.987 -11.122 1.00 42.33 H new ATOM 0 HD23 LEU A 25 0.828 -3.336 -10.713 1.00 42.33 H new ATOM 390 N TYR A 26 -2.335 -7.491 -10.584 1.00 33.13 N ATOM 391 CA TYR A 26 -1.939 -8.866 -10.845 1.00 3.14 C ATOM 392 C TYR A 26 -2.849 -9.496 -11.903 1.00 24.15 C ATOM 393 O TYR A 26 -2.372 -10.095 -12.861 1.00 42.53 O ATOM 394 CB TYR A 26 -2.000 -9.652 -9.530 1.00 1.15 C ATOM 395 CG TYR A 26 -1.715 -11.124 -9.636 1.00 20.33 C ATOM 396 CD1 TYR A 26 -0.421 -11.601 -9.672 1.00 2.52 C ATOM 397 CD2 TYR A 26 -2.754 -12.042 -9.684 1.00 4.05 C ATOM 398 CE1 TYR A 26 -0.170 -12.950 -9.757 1.00 1.41 C ATOM 399 CE2 TYR A 26 -2.513 -13.384 -9.767 1.00 53.04 C ATOM 400 CZ TYR A 26 -1.228 -13.837 -9.807 1.00 24.51 C ATOM 401 OH TYR A 26 -0.997 -15.180 -9.903 1.00 71.01 O ATOM 0 H TYR A 26 -2.585 -7.312 -9.611 1.00 33.13 H new ATOM 0 HA TYR A 26 -0.921 -8.890 -11.234 1.00 3.14 H new ATOM 0 HB2 TYR A 26 -1.288 -9.212 -8.832 1.00 1.15 H new ATOM 0 HB3 TYR A 26 -2.992 -9.523 -9.097 1.00 1.15 H new ATOM 0 HD1 TYR A 26 0.405 -10.906 -9.633 1.00 2.52 H new ATOM 0 HD2 TYR A 26 -3.774 -11.688 -9.655 1.00 4.05 H new ATOM 0 HE1 TYR A 26 0.847 -13.314 -9.784 1.00 1.41 H new ATOM 0 HE2 TYR A 26 -3.336 -14.082 -9.801 1.00 53.04 H new ATOM 0 HH TYR A 26 -1.852 -15.658 -9.926 1.00 71.01 H new ATOM 411 N GLN A 27 -4.156 -9.315 -11.740 1.00 14.01 N ATOM 412 CA GLN A 27 -5.134 -9.882 -12.668 1.00 61.41 C ATOM 413 C GLN A 27 -5.020 -9.216 -14.039 1.00 63.15 C ATOM 414 O GLN A 27 -5.177 -9.866 -15.064 1.00 1.33 O ATOM 415 CB GLN A 27 -6.565 -9.762 -12.091 1.00 31.42 C ATOM 416 CG GLN A 27 -7.693 -10.309 -12.994 1.00 14.31 C ATOM 417 CD GLN A 27 -7.561 -11.786 -13.301 1.00 72.33 C ATOM 418 OE1 GLN A 27 -7.043 -12.554 -12.502 1.00 32.53 O ATOM 419 NE2 GLN A 27 -8.038 -12.185 -14.456 1.00 71.11 N ATOM 0 H GLN A 27 -4.565 -8.780 -10.974 1.00 14.01 H new ATOM 0 HA GLN A 27 -4.920 -10.943 -12.798 1.00 61.41 H new ATOM 0 HB2 GLN A 27 -6.599 -10.289 -11.137 1.00 31.42 H new ATOM 0 HB3 GLN A 27 -6.767 -8.711 -11.882 1.00 31.42 H new ATOM 0 HG2 GLN A 27 -8.653 -10.131 -12.510 1.00 14.31 H new ATOM 0 HG3 GLN A 27 -7.700 -9.751 -13.930 1.00 14.31 H new ATOM 0 HE21 GLN A 27 -8.462 -11.511 -15.093 1.00 71.11 H new ATOM 0 HE22 GLN A 27 -7.985 -13.170 -14.717 1.00 71.11 H new ATOM 428 N ALA A 28 -4.702 -7.923 -14.040 1.00 55.34 N ATOM 429 CA ALA A 28 -4.528 -7.161 -15.251 1.00 10.53 C ATOM 430 C ALA A 28 -3.404 -7.757 -16.097 1.00 74.11 C ATOM 431 O ALA A 28 -3.515 -7.862 -17.320 1.00 74.33 O ATOM 432 CB ALA A 28 -4.250 -5.704 -14.903 1.00 52.25 C ATOM 0 H ALA A 28 -4.559 -7.381 -13.188 1.00 55.34 H new ATOM 0 HA ALA A 28 -5.443 -7.204 -15.842 1.00 10.53 H new ATOM 0 HB1 ALA A 28 -4.119 -5.130 -15.820 1.00 52.25 H new ATOM 0 HB2 ALA A 28 -5.089 -5.298 -14.338 1.00 52.25 H new ATOM 0 HB3 ALA A 28 -3.343 -5.640 -14.302 1.00 52.25 H new ATOM 438 N MET A 29 -2.335 -8.164 -15.444 1.00 42.53 N ATOM 439 CA MET A 29 -1.252 -8.808 -16.122 1.00 41.43 C ATOM 440 C MET A 29 -1.591 -10.209 -16.592 1.00 30.44 C ATOM 441 O MET A 29 -1.090 -10.643 -17.628 1.00 73.02 O ATOM 442 CB MET A 29 0.025 -8.799 -15.314 1.00 42.13 C ATOM 443 CG MET A 29 0.806 -7.502 -15.378 1.00 52.42 C ATOM 444 SD MET A 29 2.369 -7.651 -14.576 1.00 51.11 S ATOM 445 CE MET A 29 3.104 -6.130 -15.085 1.00 35.53 C ATOM 0 H MET A 29 -2.202 -8.055 -14.439 1.00 42.53 H new ATOM 0 HA MET A 29 -1.079 -8.209 -17.016 1.00 41.43 H new ATOM 0 HB2 MET A 29 -0.219 -9.010 -14.273 1.00 42.13 H new ATOM 0 HB3 MET A 29 0.665 -9.610 -15.662 1.00 42.13 H new ATOM 0 HG2 MET A 29 0.956 -7.217 -16.419 1.00 52.42 H new ATOM 0 HG3 MET A 29 0.229 -6.705 -14.909 1.00 52.42 H new ATOM 0 HE1 MET A 29 4.190 -6.227 -15.068 1.00 35.53 H new ATOM 0 HE2 MET A 29 2.777 -5.889 -16.097 1.00 35.53 H new ATOM 0 HE3 MET A 29 2.800 -5.334 -14.406 1.00 35.53 H new ATOM 455 N ILE A 30 -2.438 -10.912 -15.847 1.00 5.13 N ATOM 456 CA ILE A 30 -2.846 -12.269 -16.231 1.00 63.02 C ATOM 457 C ILE A 30 -3.585 -12.230 -17.560 1.00 65.45 C ATOM 458 O ILE A 30 -3.263 -12.968 -18.481 1.00 52.31 O ATOM 459 CB ILE A 30 -3.790 -12.938 -15.180 1.00 62.24 C ATOM 460 CG1 ILE A 30 -3.147 -12.985 -13.795 1.00 44.51 C ATOM 461 CG2 ILE A 30 -4.175 -14.352 -15.626 1.00 61.11 C ATOM 462 CD1 ILE A 30 -4.022 -13.629 -12.748 1.00 1.41 C ATOM 0 H ILE A 30 -2.855 -10.573 -14.980 1.00 5.13 H new ATOM 0 HA ILE A 30 -1.931 -12.857 -16.299 1.00 63.02 H new ATOM 0 HB ILE A 30 -4.690 -12.326 -15.114 1.00 62.24 H new ATOM 0 HG12 ILE A 30 -2.206 -13.532 -13.858 1.00 44.51 H new ATOM 0 HG13 ILE A 30 -2.905 -11.970 -13.481 1.00 44.51 H new ATOM 0 HG21 ILE A 30 -4.832 -14.802 -14.882 1.00 61.11 H new ATOM 0 HG22 ILE A 30 -4.692 -14.303 -16.585 1.00 61.11 H new ATOM 0 HG23 ILE A 30 -3.275 -14.959 -15.729 1.00 61.11 H new ATOM 0 HD11 ILE A 30 -3.503 -13.628 -11.790 1.00 1.41 H new ATOM 0 HD12 ILE A 30 -4.953 -13.069 -12.657 1.00 1.41 H new ATOM 0 HD13 ILE A 30 -4.243 -14.656 -13.040 1.00 1.41 H new ATOM 474 N ILE A 31 -4.549 -11.345 -17.637 1.00 74.03 N ATOM 475 CA ILE A 31 -5.407 -11.215 -18.793 1.00 4.02 C ATOM 476 C ILE A 31 -4.633 -10.751 -20.040 1.00 42.10 C ATOM 477 O ILE A 31 -4.872 -11.230 -21.169 1.00 10.51 O ATOM 478 CB ILE A 31 -6.559 -10.220 -18.510 1.00 61.44 C ATOM 479 CG1 ILE A 31 -7.289 -10.610 -17.233 1.00 65.11 C ATOM 480 CG2 ILE A 31 -7.538 -10.248 -19.652 1.00 41.10 C ATOM 481 CD1 ILE A 31 -8.443 -9.700 -16.895 1.00 53.12 C ATOM 0 H ILE A 31 -4.764 -10.685 -16.889 1.00 74.03 H new ATOM 0 HA ILE A 31 -5.816 -12.206 -18.993 1.00 4.02 H new ATOM 0 HB ILE A 31 -6.138 -9.221 -18.398 1.00 61.44 H new ATOM 0 HG12 ILE A 31 -7.659 -11.630 -17.333 1.00 65.11 H new ATOM 0 HG13 ILE A 31 -6.581 -10.608 -16.404 1.00 65.11 H new ATOM 0 HG21 ILE A 31 -8.349 -9.548 -19.453 1.00 41.10 H new ATOM 0 HG22 ILE A 31 -7.030 -9.963 -20.574 1.00 41.10 H new ATOM 0 HG23 ILE A 31 -7.945 -11.254 -19.758 1.00 41.10 H new ATOM 0 HD11 ILE A 31 -8.916 -10.039 -15.973 1.00 53.12 H new ATOM 0 HD12 ILE A 31 -8.077 -8.682 -16.762 1.00 53.12 H new ATOM 0 HD13 ILE A 31 -9.172 -9.720 -17.705 1.00 53.12 H new ATOM 493 N THR A 32 -3.698 -9.849 -19.845 1.00 72.24 N ATOM 494 CA THR A 32 -2.990 -9.277 -20.945 1.00 42.34 C ATOM 495 C THR A 32 -1.820 -10.142 -21.388 1.00 3.34 C ATOM 496 O THR A 32 -1.593 -10.306 -22.591 1.00 54.20 O ATOM 497 CB THR A 32 -2.510 -7.859 -20.611 1.00 21.11 C ATOM 498 OG1 THR A 32 -1.717 -7.895 -19.410 1.00 3.14 O ATOM 499 CG2 THR A 32 -3.700 -6.925 -20.404 1.00 33.32 C ATOM 0 H THR A 32 -3.417 -9.501 -18.928 1.00 72.24 H new ATOM 0 HA THR A 32 -3.691 -9.223 -21.778 1.00 42.34 H new ATOM 0 HB THR A 32 -1.912 -7.486 -21.442 1.00 21.11 H new ATOM 0 HG1 THR A 32 -2.303 -7.820 -18.628 1.00 3.14 H new ATOM 0 HG21 THR A 32 -3.340 -5.924 -20.168 1.00 33.32 H new ATOM 0 HG22 THR A 32 -4.298 -6.890 -21.315 1.00 33.32 H new ATOM 0 HG23 THR A 32 -4.313 -7.293 -19.581 1.00 33.32 H new ATOM 507 N LYS A 33 -1.064 -10.696 -20.404 1.00 54.41 N ATOM 508 CA LYS A 33 0.120 -11.547 -20.675 1.00 71.42 C ATOM 509 C LYS A 33 1.190 -10.752 -21.436 1.00 54.52 C ATOM 510 O LYS A 33 2.117 -11.317 -22.020 1.00 61.35 O ATOM 511 CB LYS A 33 -0.309 -12.800 -21.465 1.00 50.22 C ATOM 512 CG LYS A 33 -1.233 -13.724 -20.680 1.00 24.34 C ATOM 513 CD LYS A 33 -1.856 -14.814 -21.545 1.00 21.44 C ATOM 514 CE LYS A 33 -2.831 -14.226 -22.566 1.00 50.54 C ATOM 515 NZ LYS A 33 -3.493 -15.271 -23.376 1.00 4.42 N ATOM 0 H LYS A 33 -1.257 -10.566 -19.411 1.00 54.41 H new ATOM 0 HA LYS A 33 0.555 -11.867 -19.728 1.00 71.42 H new ATOM 0 HB2 LYS A 33 -0.811 -12.489 -22.381 1.00 50.22 H new ATOM 0 HB3 LYS A 33 0.581 -13.355 -21.762 1.00 50.22 H new ATOM 0 HG2 LYS A 33 -0.672 -14.187 -19.869 1.00 24.34 H new ATOM 0 HG3 LYS A 33 -2.026 -13.133 -20.222 1.00 24.34 H new ATOM 0 HD2 LYS A 33 -1.070 -15.363 -22.064 1.00 21.44 H new ATOM 0 HD3 LYS A 33 -2.379 -15.530 -20.911 1.00 21.44 H new ATOM 0 HE2 LYS A 33 -3.588 -13.639 -22.046 1.00 50.54 H new ATOM 0 HE3 LYS A 33 -2.295 -13.543 -23.225 1.00 50.54 H new ATOM 0 HZ1 LYS A 33 -4.144 -14.825 -24.053 1.00 4.42 H new ATOM 0 HZ2 LYS A 33 -2.774 -15.816 -23.894 1.00 4.42 H new ATOM 0 HZ3 LYS A 33 -4.027 -15.908 -22.751 1.00 4.42 H new ATOM 529 N SER A 34 1.073 -9.442 -21.378 1.00 14.01 N ATOM 530 CA SER A 34 1.938 -8.561 -22.137 1.00 35.25 C ATOM 531 C SER A 34 3.071 -7.960 -21.271 1.00 72.13 C ATOM 532 O SER A 34 3.934 -7.239 -21.782 1.00 62.22 O ATOM 533 CB SER A 34 1.074 -7.452 -22.782 1.00 33.03 C ATOM 534 OG SER A 34 1.837 -6.584 -23.598 1.00 52.20 O ATOM 0 H SER A 34 0.380 -8.959 -20.807 1.00 14.01 H new ATOM 0 HA SER A 34 2.432 -9.142 -22.915 1.00 35.25 H new ATOM 0 HB2 SER A 34 0.286 -7.910 -23.380 1.00 33.03 H new ATOM 0 HB3 SER A 34 0.585 -6.874 -21.998 1.00 33.03 H new ATOM 0 HG SER A 34 2.057 -5.772 -23.095 1.00 52.20 H new ATOM 540 N SER A 35 3.057 -8.252 -19.960 1.00 21.22 N ATOM 541 CA SER A 35 4.049 -7.735 -18.956 1.00 40.20 C ATOM 542 C SER A 35 4.053 -6.195 -18.769 1.00 52.24 C ATOM 543 O SER A 35 4.593 -5.682 -17.795 1.00 61.22 O ATOM 544 CB SER A 35 5.483 -8.330 -19.134 1.00 0.15 C ATOM 545 OG SER A 35 6.010 -8.166 -20.454 1.00 42.13 O ATOM 0 H SER A 35 2.353 -8.862 -19.545 1.00 21.22 H new ATOM 0 HA SER A 35 3.676 -8.120 -18.007 1.00 40.20 H new ATOM 0 HB2 SER A 35 6.156 -7.854 -18.421 1.00 0.15 H new ATOM 0 HB3 SER A 35 5.460 -9.392 -18.890 1.00 0.15 H new ATOM 0 HG SER A 35 5.483 -7.495 -20.936 1.00 42.13 H new ATOM 551 N LYS A 36 3.442 -5.498 -19.695 1.00 31.25 N ATOM 552 CA LYS A 36 3.282 -4.104 -19.687 1.00 40.11 C ATOM 553 C LYS A 36 2.261 -3.811 -20.762 1.00 24.41 C ATOM 554 O LYS A 36 2.153 -4.560 -21.737 1.00 62.54 O ATOM 555 CB LYS A 36 4.602 -3.371 -19.987 1.00 63.32 C ATOM 556 CG LYS A 36 4.483 -1.855 -19.885 1.00 61.23 C ATOM 557 CD LYS A 36 5.800 -1.137 -20.160 1.00 4.41 C ATOM 558 CE LYS A 36 6.293 -1.360 -21.587 1.00 1.53 C ATOM 559 NZ LYS A 36 5.353 -0.820 -22.596 1.00 4.41 N ATOM 0 H LYS A 36 3.025 -5.937 -20.516 1.00 31.25 H new ATOM 0 HA LYS A 36 2.963 -3.756 -18.705 1.00 40.11 H new ATOM 0 HB2 LYS A 36 5.368 -3.716 -19.293 1.00 63.32 H new ATOM 0 HB3 LYS A 36 4.938 -3.636 -20.990 1.00 63.32 H new ATOM 0 HG2 LYS A 36 3.730 -1.506 -20.592 1.00 61.23 H new ATOM 0 HG3 LYS A 36 4.131 -1.589 -18.888 1.00 61.23 H new ATOM 0 HD2 LYS A 36 5.673 -0.069 -19.985 1.00 4.41 H new ATOM 0 HD3 LYS A 36 6.556 -1.488 -19.458 1.00 4.41 H new ATOM 0 HE2 LYS A 36 7.267 -0.887 -21.711 1.00 1.53 H new ATOM 0 HE3 LYS A 36 6.433 -2.427 -21.758 1.00 1.53 H new ATOM 0 HZ1 LYS A 36 5.808 -0.825 -23.531 1.00 4.41 H new ATOM 0 HZ2 LYS A 36 4.497 -1.410 -22.624 1.00 4.41 H new ATOM 0 HZ3 LYS A 36 5.093 0.155 -22.342 1.00 4.41 H new ATOM 573 N GLY A 37 1.521 -2.804 -20.567 1.00 33.41 N ATOM 574 CA GLY A 37 0.510 -2.403 -21.480 1.00 0.33 C ATOM 575 C GLY A 37 -0.239 -1.300 -20.851 1.00 15.35 C ATOM 576 O GLY A 37 0.276 -0.686 -19.904 1.00 32.12 O ATOM 0 H GLY A 37 1.593 -2.206 -19.744 1.00 33.41 H new ATOM 0 HA2 GLY A 37 0.951 -2.079 -22.423 1.00 0.33 H new ATOM 0 HA3 GLY A 37 -0.154 -3.237 -21.708 1.00 0.33 H new ATOM 580 N ASP A 38 -1.426 -1.033 -21.304 1.00 14.33 N ATOM 581 CA ASP A 38 -2.182 0.010 -20.684 1.00 34.32 C ATOM 582 C ASP A 38 -2.888 -0.535 -19.485 1.00 42.23 C ATOM 583 O ASP A 38 -3.823 -1.335 -19.591 1.00 23.20 O ATOM 584 CB ASP A 38 -3.191 0.632 -21.649 1.00 40.41 C ATOM 585 CG ASP A 38 -2.552 1.338 -22.807 1.00 44.54 C ATOM 586 OD1 ASP A 38 -2.256 2.540 -22.681 1.00 63.11 O ATOM 587 OD2 ASP A 38 -2.336 0.701 -23.862 1.00 13.13 O ATOM 0 H ASP A 38 -1.883 -1.510 -22.081 1.00 14.33 H new ATOM 0 HA ASP A 38 -1.491 0.797 -20.383 1.00 34.32 H new ATOM 0 HB2 ASP A 38 -3.849 -0.150 -22.028 1.00 40.41 H new ATOM 0 HB3 ASP A 38 -3.817 1.338 -21.103 1.00 40.41 H new ATOM 592 N PHE A 39 -2.437 -0.118 -18.354 1.00 55.21 N ATOM 593 CA PHE A 39 -3.020 -0.489 -17.110 1.00 74.32 C ATOM 594 C PHE A 39 -3.357 0.760 -16.383 1.00 4.31 C ATOM 595 O PHE A 39 -2.459 1.526 -16.025 1.00 73.32 O ATOM 596 CB PHE A 39 -2.062 -1.357 -16.284 1.00 23.35 C ATOM 597 CG PHE A 39 -1.665 -2.644 -16.955 1.00 44.40 C ATOM 598 CD1 PHE A 39 -2.597 -3.623 -17.181 1.00 31.04 C ATOM 599 CD2 PHE A 39 -0.359 -2.873 -17.342 1.00 22.43 C ATOM 600 CE1 PHE A 39 -2.247 -4.810 -17.784 1.00 73.33 C ATOM 601 CE2 PHE A 39 -0.003 -4.061 -17.945 1.00 51.23 C ATOM 602 CZ PHE A 39 -0.948 -5.028 -18.167 1.00 70.21 C ATOM 0 H PHE A 39 -1.634 0.505 -18.265 1.00 55.21 H new ATOM 0 HA PHE A 39 -3.916 -1.085 -17.281 1.00 74.32 H new ATOM 0 HB2 PHE A 39 -1.163 -0.781 -16.067 1.00 23.35 H new ATOM 0 HB3 PHE A 39 -2.531 -1.588 -15.328 1.00 23.35 H new ATOM 0 HD1 PHE A 39 -3.622 -3.461 -16.881 1.00 31.04 H new ATOM 0 HD2 PHE A 39 0.390 -2.114 -17.171 1.00 22.43 H new ATOM 0 HE1 PHE A 39 -2.995 -5.570 -17.956 1.00 73.33 H new ATOM 0 HE2 PHE A 39 1.021 -4.229 -18.242 1.00 51.23 H new ATOM 0 HZ PHE A 39 -0.671 -5.958 -18.642 1.00 70.21 H new ATOM 612 N LEU A 40 -4.604 0.998 -16.174 1.00 64.43 N ATOM 613 CA LEU A 40 -4.998 2.218 -15.534 1.00 54.10 C ATOM 614 C LEU A 40 -5.635 1.917 -14.217 1.00 61.00 C ATOM 615 O LEU A 40 -6.620 1.186 -14.142 1.00 20.14 O ATOM 616 CB LEU A 40 -5.946 3.026 -16.411 1.00 51.54 C ATOM 617 CG LEU A 40 -5.439 3.422 -17.808 1.00 1.41 C ATOM 618 CD1 LEU A 40 -6.499 4.217 -18.545 1.00 71.51 C ATOM 619 CD2 LEU A 40 -4.151 4.221 -17.722 1.00 45.35 C ATOM 0 H LEU A 40 -5.369 0.374 -16.432 1.00 64.43 H new ATOM 0 HA LEU A 40 -4.105 2.821 -15.372 1.00 54.10 H new ATOM 0 HB2 LEU A 40 -6.865 2.453 -16.534 1.00 51.54 H new ATOM 0 HB3 LEU A 40 -6.209 3.938 -15.875 1.00 51.54 H new ATOM 0 HG LEU A 40 -5.231 2.506 -18.361 1.00 1.41 H new ATOM 0 HD11 LEU A 40 -6.127 4.491 -19.532 1.00 71.51 H new ATOM 0 HD12 LEU A 40 -7.399 3.612 -18.651 1.00 71.51 H new ATOM 0 HD13 LEU A 40 -6.733 5.120 -17.982 1.00 71.51 H new ATOM 0 HD21 LEU A 40 -3.819 4.485 -18.726 1.00 45.35 H new ATOM 0 HD22 LEU A 40 -4.325 5.130 -17.146 1.00 45.35 H new ATOM 0 HD23 LEU A 40 -3.383 3.622 -17.232 1.00 45.35 H new ATOM 631 N ILE A 41 -5.096 2.477 -13.185 1.00 62.02 N ATOM 632 CA ILE A 41 -5.573 2.215 -11.873 1.00 2.13 C ATOM 633 C ILE A 41 -6.301 3.428 -11.325 1.00 1.33 C ATOM 634 O ILE A 41 -5.856 4.576 -11.520 1.00 3.20 O ATOM 635 CB ILE A 41 -4.424 1.777 -10.923 1.00 64.14 C ATOM 636 CG1 ILE A 41 -3.665 0.580 -11.562 1.00 44.33 C ATOM 637 CG2 ILE A 41 -4.974 1.425 -9.544 1.00 21.12 C ATOM 638 CD1 ILE A 41 -2.728 -0.174 -10.649 1.00 42.32 C ATOM 0 H ILE A 41 -4.313 3.129 -13.230 1.00 62.02 H new ATOM 0 HA ILE A 41 -6.277 1.385 -11.931 1.00 2.13 H new ATOM 0 HB ILE A 41 -3.723 2.601 -10.787 1.00 64.14 H new ATOM 0 HG12 ILE A 41 -4.400 -0.122 -11.955 1.00 44.33 H new ATOM 0 HG13 ILE A 41 -3.092 0.951 -12.412 1.00 44.33 H new ATOM 0 HG21 ILE A 41 -4.155 1.121 -8.892 1.00 21.12 H new ATOM 0 HG22 ILE A 41 -5.472 2.296 -9.118 1.00 21.12 H new ATOM 0 HG23 ILE A 41 -5.688 0.607 -9.635 1.00 21.12 H new ATOM 0 HD11 ILE A 41 -2.255 -0.985 -11.202 1.00 42.32 H new ATOM 0 HD12 ILE A 41 -1.961 0.504 -10.274 1.00 42.32 H new ATOM 0 HD13 ILE A 41 -3.290 -0.586 -9.811 1.00 42.32 H new ATOM 650 N ARG A 42 -7.432 3.178 -10.674 1.00 70.31 N ATOM 651 CA ARG A 42 -8.239 4.218 -10.096 1.00 22.12 C ATOM 652 C ARG A 42 -7.432 4.913 -9.038 1.00 1.22 C ATOM 653 O ARG A 42 -6.886 4.293 -8.121 1.00 2.12 O ATOM 654 CB ARG A 42 -9.525 3.666 -9.514 1.00 54.41 C ATOM 655 CG ARG A 42 -10.582 4.718 -9.156 1.00 53.45 C ATOM 656 CD ARG A 42 -11.061 5.491 -10.384 1.00 50.33 C ATOM 657 NE ARG A 42 -12.486 5.800 -10.311 1.00 62.34 N ATOM 658 CZ ARG A 42 -13.202 6.341 -11.308 1.00 4.40 C ATOM 659 NH1 ARG A 42 -12.595 6.755 -12.421 1.00 41.35 N ATOM 660 NH2 ARG A 42 -14.516 6.468 -11.182 1.00 2.31 N ATOM 0 H ARG A 42 -7.807 2.239 -10.538 1.00 70.31 H new ATOM 0 HA ARG A 42 -8.523 4.926 -10.875 1.00 22.12 H new ATOM 0 HB2 ARG A 42 -9.958 2.967 -10.229 1.00 54.41 H new ATOM 0 HB3 ARG A 42 -9.284 3.096 -8.617 1.00 54.41 H new ATOM 0 HG2 ARG A 42 -11.433 4.230 -8.681 1.00 53.45 H new ATOM 0 HG3 ARG A 42 -10.167 5.415 -8.428 1.00 53.45 H new ATOM 0 HD2 ARG A 42 -10.493 6.417 -10.475 1.00 50.33 H new ATOM 0 HD3 ARG A 42 -10.862 4.906 -11.282 1.00 50.33 H new ATOM 0 HE ARG A 42 -12.972 5.589 -9.439 1.00 62.34 H new ATOM 0 HH11 ARG A 42 -11.584 6.661 -12.516 1.00 41.35 H new ATOM 0 HH12 ARG A 42 -13.142 7.166 -13.178 1.00 41.35 H new ATOM 0 HH21 ARG A 42 -14.979 6.155 -10.329 1.00 2.31 H new ATOM 0 HH22 ARG A 42 -15.063 6.879 -11.938 1.00 2.31 H new ATOM 674 N THR A 43 -7.354 6.148 -9.193 1.00 63.04 N ATOM 675 CA THR A 43 -6.547 6.998 -8.432 1.00 73.01 C ATOM 676 C THR A 43 -7.382 8.166 -7.946 1.00 43.53 C ATOM 677 O THR A 43 -8.331 8.545 -8.608 1.00 25.42 O ATOM 678 CB THR A 43 -5.446 7.484 -9.405 1.00 13.34 C ATOM 679 OG1 THR A 43 -4.591 6.401 -9.789 1.00 74.34 O ATOM 680 CG2 THR A 43 -4.660 8.680 -8.920 1.00 70.24 C ATOM 0 H THR A 43 -7.889 6.643 -9.907 1.00 63.04 H new ATOM 0 HA THR A 43 -6.119 6.509 -7.557 1.00 73.01 H new ATOM 0 HB THR A 43 -5.972 7.845 -10.289 1.00 13.34 H new ATOM 0 HG1 THR A 43 -5.083 5.788 -10.374 1.00 74.34 H new ATOM 0 HG21 THR A 43 -3.912 8.950 -9.665 1.00 70.24 H new ATOM 0 HG22 THR A 43 -5.336 9.521 -8.764 1.00 70.24 H new ATOM 0 HG23 THR A 43 -4.165 8.433 -7.981 1.00 70.24 H new ATOM 688 N LYS A 44 -7.071 8.698 -6.795 1.00 4.21 N ATOM 689 CA LYS A 44 -7.715 9.902 -6.359 1.00 55.03 C ATOM 690 C LYS A 44 -6.717 11.012 -6.418 1.00 20.41 C ATOM 691 O LYS A 44 -5.744 11.034 -5.664 1.00 21.22 O ATOM 692 CB LYS A 44 -8.372 9.821 -4.961 1.00 33.20 C ATOM 693 CG LYS A 44 -9.552 8.861 -4.843 1.00 51.53 C ATOM 694 CD LYS A 44 -9.123 7.418 -4.661 1.00 31.41 C ATOM 695 CE LYS A 44 -8.526 7.201 -3.280 1.00 54.41 C ATOM 696 NZ LYS A 44 -8.165 5.802 -3.031 1.00 0.00 N ATOM 0 H LYS A 44 -6.380 8.318 -6.148 1.00 4.21 H new ATOM 0 HA LYS A 44 -8.551 10.082 -7.035 1.00 55.03 H new ATOM 0 HB2 LYS A 44 -7.612 9.525 -4.238 1.00 33.20 H new ATOM 0 HB3 LYS A 44 -8.708 10.819 -4.679 1.00 33.20 H new ATOM 0 HG2 LYS A 44 -10.173 9.159 -3.999 1.00 51.53 H new ATOM 0 HG3 LYS A 44 -10.170 8.941 -5.737 1.00 51.53 H new ATOM 0 HD2 LYS A 44 -9.980 6.759 -4.799 1.00 31.41 H new ATOM 0 HD3 LYS A 44 -8.391 7.153 -5.424 1.00 31.41 H new ATOM 0 HE2 LYS A 44 -7.639 7.825 -3.170 1.00 54.41 H new ATOM 0 HE3 LYS A 44 -9.241 7.527 -2.525 1.00 54.41 H new ATOM 0 HZ1 LYS A 44 -7.337 5.764 -2.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.964 5.312 -2.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.938 5.336 -3.933 1.00 0.00 H new ATOM 710 N LYS A 45 -6.932 11.898 -7.332 1.00 12.11 N ATOM 711 CA LYS A 45 -6.021 12.970 -7.582 1.00 71.44 C ATOM 712 C LYS A 45 -6.774 14.267 -7.434 1.00 35.15 C ATOM 713 O LYS A 45 -7.694 14.540 -8.215 1.00 0.41 O ATOM 714 CB LYS A 45 -5.476 12.844 -9.010 1.00 3.30 C ATOM 715 CG LYS A 45 -4.359 13.785 -9.369 1.00 1.11 C ATOM 716 CD LYS A 45 -3.926 13.540 -10.802 1.00 51.52 C ATOM 717 CE LYS A 45 -3.279 12.168 -11.022 1.00 5.45 C ATOM 718 NZ LYS A 45 -2.043 11.981 -10.244 1.00 13.32 N ATOM 0 H LYS A 45 -7.755 11.900 -7.935 1.00 12.11 H new ATOM 0 HA LYS A 45 -5.187 12.940 -6.880 1.00 71.44 H new ATOM 0 HB2 LYS A 45 -5.126 11.822 -9.156 1.00 3.30 H new ATOM 0 HB3 LYS A 45 -6.298 13.003 -9.708 1.00 3.30 H new ATOM 0 HG2 LYS A 45 -4.688 14.817 -9.249 1.00 1.11 H new ATOM 0 HG3 LYS A 45 -3.516 13.639 -8.694 1.00 1.11 H new ATOM 0 HD2 LYS A 45 -4.793 13.632 -11.456 1.00 51.52 H new ATOM 0 HD3 LYS A 45 -3.220 14.317 -11.097 1.00 51.52 H new ATOM 0 HE2 LYS A 45 -3.992 11.389 -10.752 1.00 5.45 H new ATOM 0 HE3 LYS A 45 -3.057 12.044 -12.082 1.00 5.45 H new ATOM 0 HZ1 LYS A 45 -1.496 11.193 -10.646 1.00 13.32 H new ATOM 0 HZ2 LYS A 45 -1.475 12.851 -10.280 1.00 13.32 H new ATOM 0 HZ3 LYS A 45 -2.284 11.766 -9.255 1.00 13.32 H new ATOM 732 N ASP A 46 -6.427 15.024 -6.403 1.00 43.25 N ATOM 733 CA ASP A 46 -7.041 16.332 -6.119 1.00 22.22 C ATOM 734 C ASP A 46 -8.546 16.223 -5.932 1.00 65.32 C ATOM 735 O ASP A 46 -9.300 17.136 -6.261 1.00 54.24 O ATOM 736 CB ASP A 46 -6.679 17.373 -7.194 1.00 53.35 C ATOM 737 CG ASP A 46 -5.208 17.712 -7.188 1.00 42.14 C ATOM 738 OD1 ASP A 46 -4.788 18.596 -6.394 1.00 32.04 O ATOM 739 OD2 ASP A 46 -4.430 17.095 -7.955 1.00 51.24 O ATOM 0 H ASP A 46 -5.709 14.755 -5.731 1.00 43.25 H new ATOM 0 HA ASP A 46 -6.625 16.681 -5.174 1.00 22.22 H new ATOM 0 HB2 ASP A 46 -6.958 16.991 -8.176 1.00 53.35 H new ATOM 0 HB3 ASP A 46 -7.260 18.280 -7.029 1.00 53.35 H new ATOM 744 N GLY A 47 -8.967 15.120 -5.348 1.00 51.21 N ATOM 745 CA GLY A 47 -10.367 14.906 -5.062 1.00 64.05 C ATOM 746 C GLY A 47 -11.133 14.253 -6.196 1.00 74.24 C ATOM 747 O GLY A 47 -12.323 13.968 -6.056 1.00 42.03 O ATOM 0 H GLY A 47 -8.355 14.356 -5.062 1.00 51.21 H new ATOM 0 HA2 GLY A 47 -10.455 14.284 -4.172 1.00 64.05 H new ATOM 0 HA3 GLY A 47 -10.831 15.864 -4.828 1.00 64.05 H new ATOM 751 N LYS A 48 -10.480 14.003 -7.302 1.00 34.51 N ATOM 752 CA LYS A 48 -11.127 13.336 -8.422 1.00 63.12 C ATOM 753 C LYS A 48 -10.739 11.880 -8.449 1.00 51.43 C ATOM 754 O LYS A 48 -9.626 11.526 -8.058 1.00 15.04 O ATOM 755 CB LYS A 48 -10.691 13.943 -9.745 1.00 34.42 C ATOM 756 CG LYS A 48 -11.010 15.401 -9.945 1.00 4.13 C ATOM 757 CD LYS A 48 -10.488 15.829 -11.296 1.00 21.31 C ATOM 758 CE LYS A 48 -10.745 17.287 -11.583 1.00 51.41 C ATOM 759 NZ LYS A 48 -10.143 17.674 -12.872 1.00 53.33 N ATOM 0 H LYS A 48 -9.502 14.247 -7.459 1.00 34.51 H new ATOM 0 HA LYS A 48 -12.203 13.454 -8.293 1.00 63.12 H new ATOM 0 HB2 LYS A 48 -9.613 13.811 -9.844 1.00 34.42 H new ATOM 0 HB3 LYS A 48 -11.156 13.377 -10.552 1.00 34.42 H new ATOM 0 HG2 LYS A 48 -12.086 15.564 -9.887 1.00 4.13 H new ATOM 0 HG3 LYS A 48 -10.554 15.999 -9.156 1.00 4.13 H new ATOM 0 HD2 LYS A 48 -9.416 15.637 -11.345 1.00 21.31 H new ATOM 0 HD3 LYS A 48 -10.956 15.222 -12.071 1.00 21.31 H new ATOM 0 HE2 LYS A 48 -11.818 17.476 -11.605 1.00 51.41 H new ATOM 0 HE3 LYS A 48 -10.330 17.900 -10.783 1.00 51.41 H new ATOM 0 HZ1 LYS A 48 -10.329 18.681 -13.054 1.00 53.33 H new ATOM 0 HZ2 LYS A 48 -9.116 17.513 -12.838 1.00 53.33 H new ATOM 0 HZ3 LYS A 48 -10.558 17.102 -13.635 1.00 53.33 H new ATOM 773 N GLN A 49 -11.640 11.037 -8.908 1.00 74.11 N ATOM 774 CA GLN A 49 -11.330 9.664 -9.104 1.00 50.23 C ATOM 775 C GLN A 49 -10.924 9.558 -10.548 1.00 24.45 C ATOM 776 O GLN A 49 -11.698 9.883 -11.438 1.00 63.11 O ATOM 777 CB GLN A 49 -12.544 8.786 -8.831 1.00 73.44 C ATOM 778 CG GLN A 49 -13.172 9.010 -7.468 1.00 21.15 C ATOM 779 CD GLN A 49 -14.369 8.122 -7.233 1.00 64.11 C ATOM 780 OE1 GLN A 49 -15.505 8.480 -7.560 1.00 33.53 O ATOM 781 NE2 GLN A 49 -14.144 6.987 -6.656 1.00 44.55 N ATOM 0 H GLN A 49 -12.597 11.296 -9.150 1.00 74.11 H new ATOM 0 HA GLN A 49 -10.545 9.328 -8.427 1.00 50.23 H new ATOM 0 HB2 GLN A 49 -13.294 8.971 -9.600 1.00 73.44 H new ATOM 0 HB3 GLN A 49 -12.250 7.740 -8.917 1.00 73.44 H new ATOM 0 HG2 GLN A 49 -12.428 8.825 -6.693 1.00 21.15 H new ATOM 0 HG3 GLN A 49 -13.474 10.053 -7.377 1.00 21.15 H new ATOM 0 HE21 GLN A 49 -13.192 6.725 -6.400 1.00 44.55 H new ATOM 0 HE22 GLN A 49 -14.918 6.354 -6.457 1.00 44.55 H new ATOM 790 N VAL A 50 -9.741 9.129 -10.771 1.00 12.55 N ATOM 791 CA VAL A 50 -9.147 9.140 -12.087 1.00 30.25 C ATOM 792 C VAL A 50 -8.481 7.841 -12.392 1.00 33.22 C ATOM 793 O VAL A 50 -8.320 7.010 -11.518 1.00 22.02 O ATOM 794 CB VAL A 50 -8.113 10.309 -12.247 1.00 70.14 C ATOM 795 CG1 VAL A 50 -8.814 11.652 -12.347 1.00 43.45 C ATOM 796 CG2 VAL A 50 -7.163 10.340 -11.063 1.00 72.34 C ATOM 0 H VAL A 50 -9.133 8.750 -10.045 1.00 12.55 H new ATOM 0 HA VAL A 50 -9.960 9.296 -12.796 1.00 30.25 H new ATOM 0 HB VAL A 50 -7.555 10.129 -13.166 1.00 70.14 H new ATOM 0 HG11 VAL A 50 -8.072 12.443 -12.457 1.00 43.45 H new ATOM 0 HG12 VAL A 50 -9.476 11.653 -13.213 1.00 43.45 H new ATOM 0 HG13 VAL A 50 -9.398 11.826 -11.443 1.00 43.45 H new ATOM 0 HG21 VAL A 50 -6.452 11.156 -11.189 1.00 72.34 H new ATOM 0 HG22 VAL A 50 -7.731 10.491 -10.145 1.00 72.34 H new ATOM 0 HG23 VAL A 50 -6.624 9.395 -11.004 1.00 72.34 H new ATOM 806 N TRP A 51 -8.132 7.655 -13.615 1.00 55.40 N ATOM 807 CA TRP A 51 -7.407 6.504 -14.030 1.00 21.45 C ATOM 808 C TRP A 51 -5.970 6.924 -14.323 1.00 73.01 C ATOM 809 O TRP A 51 -5.731 7.720 -15.227 1.00 44.35 O ATOM 810 CB TRP A 51 -8.035 5.901 -15.289 1.00 31.33 C ATOM 811 CG TRP A 51 -9.436 5.389 -15.152 1.00 52.03 C ATOM 812 CD1 TRP A 51 -10.515 5.864 -15.796 1.00 53.35 C ATOM 813 CD2 TRP A 51 -9.900 4.301 -14.336 1.00 62.23 C ATOM 814 NE1 TRP A 51 -11.636 5.143 -15.462 1.00 30.34 N ATOM 815 CE2 TRP A 51 -11.288 4.179 -14.565 1.00 70.51 C ATOM 816 CE3 TRP A 51 -9.286 3.418 -13.447 1.00 42.44 C ATOM 817 CZ2 TRP A 51 -12.070 3.214 -13.942 1.00 5.31 C ATOM 818 CZ3 TRP A 51 -10.066 2.459 -12.823 1.00 65.22 C ATOM 819 CH2 TRP A 51 -11.442 2.360 -13.075 1.00 31.45 C ATOM 0 H TRP A 51 -8.345 8.308 -14.369 1.00 55.40 H new ATOM 0 HA TRP A 51 -7.431 5.751 -13.242 1.00 21.45 H new ATOM 0 HB2 TRP A 51 -8.022 6.658 -16.074 1.00 31.33 H new ATOM 0 HB3 TRP A 51 -7.402 5.080 -15.627 1.00 31.33 H new ATOM 0 HD1 TRP A 51 -10.503 6.698 -16.482 1.00 53.35 H new ATOM 0 HE1 TRP A 51 -12.575 5.303 -15.826 1.00 30.34 H new ATOM 0 HE3 TRP A 51 -8.226 3.481 -13.250 1.00 42.44 H new ATOM 0 HZ2 TRP A 51 -13.130 3.140 -14.134 1.00 5.31 H new ATOM 0 HZ3 TRP A 51 -9.605 1.773 -12.128 1.00 65.22 H new ATOM 0 HH2 TRP A 51 -12.018 1.595 -12.575 1.00 31.45 H new ATOM 830 N GLU A 52 -5.039 6.417 -13.561 1.00 32.54 N ATOM 831 CA GLU A 52 -3.634 6.743 -13.747 1.00 33.22 C ATOM 832 C GLU A 52 -2.897 5.486 -14.150 1.00 31.30 C ATOM 833 O GLU A 52 -3.256 4.394 -13.708 1.00 63.34 O ATOM 834 CB GLU A 52 -3.034 7.347 -12.453 1.00 5.45 C ATOM 835 CG GLU A 52 -1.560 7.746 -12.558 1.00 44.54 C ATOM 836 CD GLU A 52 -1.011 8.359 -11.278 1.00 42.35 C ATOM 837 OE1 GLU A 52 -1.152 9.591 -11.076 1.00 60.42 O ATOM 838 OE2 GLU A 52 -0.405 7.631 -10.455 1.00 15.35 O ATOM 0 H GLU A 52 -5.222 5.769 -12.795 1.00 32.54 H new ATOM 0 HA GLU A 52 -3.531 7.493 -14.532 1.00 33.22 H new ATOM 0 HB2 GLU A 52 -3.615 8.226 -12.175 1.00 5.45 H new ATOM 0 HB3 GLU A 52 -3.144 6.623 -11.645 1.00 5.45 H new ATOM 0 HG2 GLU A 52 -0.970 6.866 -12.814 1.00 44.54 H new ATOM 0 HG3 GLU A 52 -1.441 8.458 -13.374 1.00 44.54 H new ATOM 845 N ALA A 53 -1.908 5.632 -15.000 1.00 72.03 N ATOM 846 CA ALA A 53 -1.142 4.507 -15.483 1.00 64.31 C ATOM 847 C ALA A 53 -0.413 3.808 -14.348 1.00 21.44 C ATOM 848 O ALA A 53 0.123 4.460 -13.434 1.00 55.15 O ATOM 849 CB ALA A 53 -0.159 4.947 -16.559 1.00 71.52 C ATOM 0 H ALA A 53 -1.612 6.533 -15.376 1.00 72.03 H new ATOM 0 HA ALA A 53 -1.840 3.794 -15.922 1.00 64.31 H new ATOM 0 HB1 ALA A 53 0.408 4.084 -16.909 1.00 71.52 H new ATOM 0 HB2 ALA A 53 -0.706 5.385 -17.394 1.00 71.52 H new ATOM 0 HB3 ALA A 53 0.526 5.687 -16.145 1.00 71.52 H new ATOM 855 N ALA A 54 -0.435 2.496 -14.386 1.00 53.14 N ATOM 856 CA ALA A 54 0.247 1.673 -13.413 1.00 34.24 C ATOM 857 C ALA A 54 1.741 1.947 -13.441 1.00 31.41 C ATOM 858 O ALA A 54 2.298 2.318 -14.484 1.00 2.21 O ATOM 859 CB ALA A 54 -0.028 0.212 -13.674 1.00 11.43 C ATOM 0 H ALA A 54 -0.932 1.964 -15.100 1.00 53.14 H new ATOM 0 HA ALA A 54 -0.131 1.923 -12.422 1.00 34.24 H new ATOM 0 HB1 ALA A 54 0.493 -0.394 -12.933 1.00 11.43 H new ATOM 0 HB2 ALA A 54 -1.100 0.026 -13.607 1.00 11.43 H new ATOM 0 HB3 ALA A 54 0.324 -0.052 -14.671 1.00 11.43 H new ATOM 865 N SER A 55 2.378 1.735 -12.329 1.00 30.05 N ATOM 866 CA SER A 55 3.754 2.072 -12.180 1.00 22.12 C ATOM 867 C SER A 55 4.576 0.841 -12.403 1.00 2.14 C ATOM 868 O SER A 55 4.126 -0.254 -12.076 1.00 32.00 O ATOM 869 CB SER A 55 3.981 2.598 -10.768 1.00 14.32 C ATOM 870 OG SER A 55 3.086 3.661 -10.484 1.00 64.44 O ATOM 0 H SER A 55 1.953 1.322 -11.499 1.00 30.05 H new ATOM 0 HA SER A 55 4.041 2.837 -12.901 1.00 22.12 H new ATOM 0 HB2 SER A 55 3.840 1.793 -10.047 1.00 14.32 H new ATOM 0 HB3 SER A 55 5.010 2.943 -10.663 1.00 14.32 H new ATOM 0 HG SER A 55 3.243 3.987 -9.573 1.00 64.44 H new ATOM 876 N LYS A 56 5.768 1.009 -12.942 1.00 13.15 N ATOM 877 CA LYS A 56 6.655 -0.117 -13.222 1.00 23.21 C ATOM 878 C LYS A 56 6.973 -0.909 -11.962 1.00 74.42 C ATOM 879 O LYS A 56 7.131 -2.112 -12.016 1.00 70.35 O ATOM 880 CB LYS A 56 7.933 0.347 -13.913 1.00 61.42 C ATOM 881 CG LYS A 56 7.691 0.959 -15.280 1.00 63.15 C ATOM 882 CD LYS A 56 8.987 1.397 -15.931 1.00 64.11 C ATOM 883 CE LYS A 56 8.744 1.962 -17.322 1.00 41.30 C ATOM 884 NZ LYS A 56 7.839 3.133 -17.302 1.00 22.11 N ATOM 0 H LYS A 56 6.152 1.919 -13.198 1.00 13.15 H new ATOM 0 HA LYS A 56 6.127 -0.784 -13.903 1.00 23.21 H new ATOM 0 HB2 LYS A 56 8.435 1.078 -13.279 1.00 61.42 H new ATOM 0 HB3 LYS A 56 8.609 -0.501 -14.018 1.00 61.42 H new ATOM 0 HG2 LYS A 56 7.188 0.234 -15.920 1.00 63.15 H new ATOM 0 HG3 LYS A 56 7.024 1.816 -15.183 1.00 63.15 H new ATOM 0 HD2 LYS A 56 9.472 2.150 -15.310 1.00 64.11 H new ATOM 0 HD3 LYS A 56 9.669 0.549 -15.995 1.00 64.11 H new ATOM 0 HE2 LYS A 56 9.697 2.249 -17.767 1.00 41.30 H new ATOM 0 HE3 LYS A 56 8.317 1.186 -17.957 1.00 41.30 H new ATOM 0 HZ1 LYS A 56 7.862 3.605 -18.228 1.00 22.11 H new ATOM 0 HZ2 LYS A 56 6.869 2.819 -17.098 1.00 22.11 H new ATOM 0 HZ3 LYS A 56 8.149 3.799 -16.566 1.00 22.11 H new ATOM 898 N THR A 57 7.020 -0.230 -10.835 1.00 53.44 N ATOM 899 CA THR A 57 7.271 -0.863 -9.563 1.00 53.31 C ATOM 900 C THR A 57 6.091 -1.773 -9.164 1.00 2.45 C ATOM 901 O THR A 57 6.279 -2.912 -8.741 1.00 12.23 O ATOM 902 CB THR A 57 7.509 0.212 -8.491 1.00 71.43 C ATOM 903 OG1 THR A 57 6.427 1.162 -8.534 1.00 51.13 O ATOM 904 CG2 THR A 57 8.827 0.933 -8.741 1.00 72.45 C ATOM 0 H THR A 57 6.884 0.779 -10.778 1.00 53.44 H new ATOM 0 HA THR A 57 8.161 -1.486 -9.648 1.00 53.31 H new ATOM 0 HB THR A 57 7.554 -0.264 -7.511 1.00 71.43 H new ATOM 0 HG1 THR A 57 6.569 1.851 -7.852 1.00 51.13 H new ATOM 0 HG21 THR A 57 8.979 1.691 -7.972 1.00 72.45 H new ATOM 0 HG22 THR A 57 9.646 0.215 -8.709 1.00 72.45 H new ATOM 0 HG23 THR A 57 8.800 1.410 -9.721 1.00 72.45 H new ATOM 912 N ALA A 58 4.880 -1.259 -9.335 1.00 0.43 N ATOM 913 CA ALA A 58 3.670 -2.001 -9.016 1.00 33.02 C ATOM 914 C ALA A 58 3.466 -3.121 -10.024 1.00 0.02 C ATOM 915 O ALA A 58 3.055 -4.233 -9.667 1.00 31.41 O ATOM 916 CB ALA A 58 2.468 -1.069 -8.993 1.00 1.51 C ATOM 0 H ALA A 58 4.710 -0.321 -9.697 1.00 0.43 H new ATOM 0 HA ALA A 58 3.776 -2.442 -8.025 1.00 33.02 H new ATOM 0 HB1 ALA A 58 1.570 -1.639 -8.753 1.00 1.51 H new ATOM 0 HB2 ALA A 58 2.620 -0.297 -8.239 1.00 1.51 H new ATOM 0 HB3 ALA A 58 2.351 -0.602 -9.971 1.00 1.51 H new ATOM 922 N LEU A 59 3.765 -2.826 -11.278 1.00 21.44 N ATOM 923 CA LEU A 59 3.699 -3.797 -12.337 1.00 64.34 C ATOM 924 C LEU A 59 4.696 -4.920 -12.063 1.00 51.04 C ATOM 925 O LEU A 59 4.377 -6.085 -12.212 1.00 15.14 O ATOM 926 CB LEU A 59 3.990 -3.128 -13.696 1.00 62.21 C ATOM 927 CG LEU A 59 2.949 -2.151 -14.250 1.00 41.45 C ATOM 928 CD1 LEU A 59 3.532 -1.400 -15.439 1.00 63.44 C ATOM 929 CD2 LEU A 59 1.732 -2.910 -14.720 1.00 1.14 C ATOM 0 H LEU A 59 4.061 -1.899 -11.583 1.00 21.44 H new ATOM 0 HA LEU A 59 2.695 -4.219 -12.376 1.00 64.34 H new ATOM 0 HB2 LEU A 59 4.937 -2.595 -13.611 1.00 62.21 H new ATOM 0 HB3 LEU A 59 4.134 -3.917 -14.434 1.00 62.21 H new ATOM 0 HG LEU A 59 2.672 -1.452 -13.461 1.00 41.45 H new ATOM 0 HD11 LEU A 59 2.789 -0.706 -15.831 1.00 63.44 H new ATOM 0 HD12 LEU A 59 4.415 -0.845 -15.122 1.00 63.44 H new ATOM 0 HD13 LEU A 59 3.810 -2.111 -16.217 1.00 63.44 H new ATOM 0 HD21 LEU A 59 0.995 -2.209 -15.113 1.00 1.14 H new ATOM 0 HD22 LEU A 59 2.020 -3.611 -15.504 1.00 1.14 H new ATOM 0 HD23 LEU A 59 1.300 -3.459 -13.883 1.00 1.14 H new ATOM 941 N LYS A 60 5.890 -4.548 -11.621 1.00 73.04 N ATOM 942 CA LYS A 60 6.932 -5.498 -11.298 1.00 32.22 C ATOM 943 C LYS A 60 6.458 -6.475 -10.213 1.00 70.41 C ATOM 944 O LYS A 60 6.706 -7.670 -10.306 1.00 23.44 O ATOM 945 CB LYS A 60 8.193 -4.763 -10.824 1.00 23.40 C ATOM 946 CG LYS A 60 9.402 -5.660 -10.619 1.00 33.13 C ATOM 947 CD LYS A 60 9.879 -6.273 -11.922 1.00 20.54 C ATOM 948 CE LYS A 60 10.403 -5.216 -12.886 1.00 45.13 C ATOM 949 NZ LYS A 60 10.872 -5.813 -14.153 1.00 42.41 N ATOM 0 H LYS A 60 6.158 -3.574 -11.478 1.00 73.04 H new ATOM 0 HA LYS A 60 7.168 -6.065 -12.198 1.00 32.22 H new ATOM 0 HB2 LYS A 60 8.446 -3.994 -11.553 1.00 23.40 H new ATOM 0 HB3 LYS A 60 7.971 -4.253 -9.887 1.00 23.40 H new ATOM 0 HG2 LYS A 60 10.211 -5.082 -10.172 1.00 33.13 H new ATOM 0 HG3 LYS A 60 9.150 -6.453 -9.915 1.00 33.13 H new ATOM 0 HD2 LYS A 60 10.666 -6.999 -11.716 1.00 20.54 H new ATOM 0 HD3 LYS A 60 9.058 -6.817 -12.390 1.00 20.54 H new ATOM 0 HE2 LYS A 60 9.615 -4.492 -13.095 1.00 45.13 H new ATOM 0 HE3 LYS A 60 11.221 -4.670 -12.417 1.00 45.13 H new ATOM 0 HZ1 LYS A 60 11.221 -5.062 -14.782 1.00 42.41 H new ATOM 0 HZ2 LYS A 60 11.641 -6.485 -13.956 1.00 42.41 H new ATOM 0 HZ3 LYS A 60 10.085 -6.313 -14.614 1.00 42.41 H new ATOM 963 N LYS A 61 5.764 -5.954 -9.198 1.00 31.21 N ATOM 964 CA LYS A 61 5.234 -6.790 -8.107 1.00 2.21 C ATOM 965 C LYS A 61 4.171 -7.747 -8.634 1.00 60.34 C ATOM 966 O LYS A 61 4.084 -8.909 -8.216 1.00 44.13 O ATOM 967 CB LYS A 61 4.612 -5.921 -7.021 1.00 33.43 C ATOM 968 CG LYS A 61 5.557 -4.923 -6.398 1.00 60.03 C ATOM 969 CD LYS A 61 4.849 -4.101 -5.350 1.00 75.21 C ATOM 970 CE LYS A 61 5.756 -3.044 -4.766 1.00 71.31 C ATOM 971 NZ LYS A 61 5.071 -2.266 -3.720 1.00 41.03 N ATOM 0 H LYS A 61 5.554 -4.960 -9.105 1.00 31.21 H new ATOM 0 HA LYS A 61 6.065 -7.359 -7.691 1.00 2.21 H new ATOM 0 HB2 LYS A 61 3.764 -5.383 -7.445 1.00 33.43 H new ATOM 0 HB3 LYS A 61 4.219 -6.568 -6.237 1.00 33.43 H new ATOM 0 HG2 LYS A 61 6.401 -5.446 -5.948 1.00 60.03 H new ATOM 0 HG3 LYS A 61 5.962 -4.268 -7.169 1.00 60.03 H new ATOM 0 HD2 LYS A 61 3.972 -3.626 -5.790 1.00 75.21 H new ATOM 0 HD3 LYS A 61 4.492 -4.755 -4.554 1.00 75.21 H new ATOM 0 HE2 LYS A 61 6.645 -3.516 -4.347 1.00 71.31 H new ATOM 0 HE3 LYS A 61 6.094 -2.375 -5.557 1.00 71.31 H new ATOM 0 HZ1 LYS A 61 5.721 -1.549 -3.339 1.00 41.03 H new ATOM 0 HZ2 LYS A 61 4.237 -1.797 -4.127 1.00 41.03 H new ATOM 0 HZ3 LYS A 61 4.771 -2.903 -2.954 1.00 41.03 H new ATOM 985 N SER A 62 3.381 -7.251 -9.552 1.00 34.14 N ATOM 986 CA SER A 62 2.314 -8.007 -10.151 1.00 30.40 C ATOM 987 C SER A 62 2.880 -9.127 -11.029 1.00 70.42 C ATOM 988 O SER A 62 2.421 -10.273 -10.967 1.00 75.43 O ATOM 989 CB SER A 62 1.433 -7.048 -10.961 1.00 71.12 C ATOM 990 OG SER A 62 0.955 -5.997 -10.120 1.00 52.22 O ATOM 0 H SER A 62 3.463 -6.299 -9.908 1.00 34.14 H new ATOM 0 HA SER A 62 1.708 -8.480 -9.378 1.00 30.40 H new ATOM 0 HB2 SER A 62 2.003 -6.630 -11.791 1.00 71.12 H new ATOM 0 HB3 SER A 62 0.592 -7.590 -11.393 1.00 71.12 H new ATOM 0 HG SER A 62 1.685 -5.371 -9.932 1.00 52.22 H new ATOM 996 N TRP A 63 3.905 -8.798 -11.793 1.00 62.14 N ATOM 997 CA TRP A 63 4.511 -9.727 -12.698 1.00 5.20 C ATOM 998 C TRP A 63 5.361 -10.740 -11.947 1.00 73.43 C ATOM 999 O TRP A 63 5.372 -11.911 -12.286 1.00 42.15 O ATOM 1000 CB TRP A 63 5.336 -8.966 -13.735 1.00 53.43 C ATOM 1001 CG TRP A 63 5.935 -9.823 -14.785 1.00 43.22 C ATOM 1002 CD1 TRP A 63 7.220 -10.218 -14.859 1.00 3.55 C ATOM 1003 CD2 TRP A 63 5.264 -10.403 -15.910 1.00 2.31 C ATOM 1004 NE1 TRP A 63 7.416 -10.996 -15.968 1.00 20.11 N ATOM 1005 CE2 TRP A 63 6.221 -11.132 -16.630 1.00 21.42 C ATOM 1006 CE3 TRP A 63 3.945 -10.374 -16.377 1.00 13.51 C ATOM 1007 CZ2 TRP A 63 5.908 -11.826 -17.795 1.00 2.53 C ATOM 1008 CZ3 TRP A 63 3.634 -11.067 -17.533 1.00 54.21 C ATOM 1009 CH2 TRP A 63 4.612 -11.782 -18.228 1.00 22.44 C ATOM 0 H TRP A 63 4.334 -7.873 -11.795 1.00 62.14 H new ATOM 0 HA TRP A 63 3.730 -10.283 -13.216 1.00 5.20 H new ATOM 0 HB2 TRP A 63 4.701 -8.219 -14.211 1.00 53.43 H new ATOM 0 HB3 TRP A 63 6.133 -8.427 -13.223 1.00 53.43 H new ATOM 0 HD1 TRP A 63 7.987 -9.958 -14.145 1.00 3.55 H new ATOM 0 HE1 TRP A 63 8.304 -11.407 -16.255 1.00 20.11 H new ATOM 0 HE3 TRP A 63 3.185 -9.821 -15.845 1.00 13.51 H new ATOM 0 HZ2 TRP A 63 6.661 -12.379 -18.337 1.00 2.53 H new ATOM 0 HZ3 TRP A 63 2.620 -11.055 -17.904 1.00 54.21 H new ATOM 0 HH2 TRP A 63 4.338 -12.312 -19.128 1.00 22.44 H new ATOM 1020 N LYS A 64 6.053 -10.286 -10.907 1.00 2.45 N ATOM 1021 CA LYS A 64 6.897 -11.170 -10.112 1.00 5.32 C ATOM 1022 C LYS A 64 6.058 -12.278 -9.487 1.00 10.55 C ATOM 1023 O LYS A 64 6.462 -13.446 -9.489 1.00 2.51 O ATOM 1024 CB LYS A 64 7.659 -10.383 -9.028 1.00 52.50 C ATOM 1025 CG LYS A 64 8.643 -11.221 -8.195 1.00 2.23 C ATOM 1026 CD LYS A 64 9.766 -11.837 -9.046 1.00 44.24 C ATOM 1027 CE LYS A 64 10.636 -10.770 -9.711 1.00 52.42 C ATOM 1028 NZ LYS A 64 11.724 -11.361 -10.525 1.00 62.35 N ATOM 0 H LYS A 64 6.046 -9.315 -10.596 1.00 2.45 H new ATOM 0 HA LYS A 64 7.636 -11.623 -10.773 1.00 5.32 H new ATOM 0 HB2 LYS A 64 8.208 -9.572 -9.506 1.00 52.50 H new ATOM 0 HB3 LYS A 64 6.935 -9.924 -8.355 1.00 52.50 H new ATOM 0 HG2 LYS A 64 9.083 -10.593 -7.420 1.00 2.23 H new ATOM 0 HG3 LYS A 64 8.098 -12.018 -7.689 1.00 2.23 H new ATOM 0 HD2 LYS A 64 10.390 -12.472 -8.417 1.00 44.24 H new ATOM 0 HD3 LYS A 64 9.330 -12.477 -9.812 1.00 44.24 H new ATOM 0 HE2 LYS A 64 10.013 -10.139 -10.344 1.00 52.42 H new ATOM 0 HE3 LYS A 64 11.067 -10.126 -8.945 1.00 52.42 H new ATOM 0 HZ1 LYS A 64 12.287 -10.600 -10.956 1.00 62.35 H new ATOM 0 HZ2 LYS A 64 12.335 -11.943 -9.917 1.00 62.35 H new ATOM 0 HZ3 LYS A 64 11.314 -11.955 -11.274 1.00 62.35 H new ATOM 1042 N ARG A 65 4.878 -11.914 -8.980 1.00 35.12 N ATOM 1043 CA ARG A 65 3.978 -12.894 -8.387 1.00 71.22 C ATOM 1044 C ARG A 65 3.470 -13.823 -9.473 1.00 41.22 C ATOM 1045 O ARG A 65 3.431 -15.023 -9.293 1.00 61.32 O ATOM 1046 CB ARG A 65 2.778 -12.228 -7.707 1.00 24.41 C ATOM 1047 CG ARG A 65 1.921 -13.217 -6.937 1.00 61.52 C ATOM 1048 CD ARG A 65 0.694 -12.582 -6.314 1.00 63.33 C ATOM 1049 NE ARG A 65 -0.077 -13.584 -5.569 1.00 64.10 N ATOM 1050 CZ ARG A 65 -1.332 -13.443 -5.126 1.00 13.03 C ATOM 1051 NH1 ARG A 65 -2.025 -12.338 -5.382 1.00 63.30 N ATOM 1052 NH2 ARG A 65 -1.893 -14.428 -4.427 1.00 42.44 N ATOM 0 H ARG A 65 4.529 -10.955 -8.970 1.00 35.12 H new ATOM 0 HA ARG A 65 4.536 -13.446 -7.630 1.00 71.22 H new ATOM 0 HB2 ARG A 65 3.134 -11.454 -7.027 1.00 24.41 H new ATOM 0 HB3 ARG A 65 2.166 -11.733 -8.461 1.00 24.41 H new ATOM 0 HG2 ARG A 65 1.608 -14.017 -7.608 1.00 61.52 H new ATOM 0 HG3 ARG A 65 2.523 -13.676 -6.153 1.00 61.52 H new ATOM 0 HD2 ARG A 65 0.994 -11.774 -5.646 1.00 63.33 H new ATOM 0 HD3 ARG A 65 0.072 -12.139 -7.091 1.00 63.33 H new ATOM 0 HE ARG A 65 0.387 -14.470 -5.370 1.00 64.10 H new ATOM 0 HH11 ARG A 65 -1.601 -11.584 -5.922 1.00 63.30 H new ATOM 0 HH12 ARG A 65 -2.981 -12.244 -5.038 1.00 63.30 H new ATOM 0 HH21 ARG A 65 -1.367 -15.280 -4.234 1.00 42.44 H new ATOM 0 HH22 ARG A 65 -2.849 -14.330 -4.085 1.00 42.44 H new ATOM 1066 N TYR A 66 3.106 -13.228 -10.606 1.00 22.11 N ATOM 1067 CA TYR A 66 2.593 -13.935 -11.781 1.00 71.11 C ATOM 1068 C TYR A 66 3.536 -15.075 -12.172 1.00 24.53 C ATOM 1069 O TYR A 66 3.101 -16.217 -12.346 1.00 4.23 O ATOM 1070 CB TYR A 66 2.454 -12.918 -12.916 1.00 4.41 C ATOM 1071 CG TYR A 66 1.889 -13.446 -14.195 1.00 13.20 C ATOM 1072 CD1 TYR A 66 0.540 -13.723 -14.311 1.00 40.24 C ATOM 1073 CD2 TYR A 66 2.692 -13.634 -15.299 1.00 13.03 C ATOM 1074 CE1 TYR A 66 0.011 -14.181 -15.490 1.00 12.41 C ATOM 1075 CE2 TYR A 66 2.175 -14.091 -16.479 1.00 71.10 C ATOM 1076 CZ TYR A 66 0.838 -14.364 -16.577 1.00 71.55 C ATOM 1077 OH TYR A 66 0.323 -14.827 -17.771 1.00 2.40 O ATOM 0 H TYR A 66 3.160 -12.218 -10.738 1.00 22.11 H new ATOM 0 HA TYR A 66 1.622 -14.381 -11.565 1.00 71.11 H new ATOM 0 HB2 TYR A 66 1.821 -12.101 -12.571 1.00 4.41 H new ATOM 0 HB3 TYR A 66 3.437 -12.495 -13.122 1.00 4.41 H new ATOM 0 HD1 TYR A 66 -0.108 -13.576 -13.459 1.00 40.24 H new ATOM 0 HD2 TYR A 66 3.748 -13.417 -15.231 1.00 13.03 H new ATOM 0 HE1 TYR A 66 -1.045 -14.396 -15.566 1.00 12.41 H new ATOM 0 HE2 TYR A 66 2.821 -14.236 -17.332 1.00 71.10 H new ATOM 0 HH TYR A 66 1.043 -14.897 -18.432 1.00 2.40 H new ATOM 1087 N GLU A 67 4.819 -14.755 -12.271 1.00 54.24 N ATOM 1088 CA GLU A 67 5.867 -15.733 -12.575 1.00 62.24 C ATOM 1089 C GLU A 67 5.873 -16.823 -11.543 1.00 73.33 C ATOM 1090 O GLU A 67 5.797 -17.987 -11.872 1.00 32.24 O ATOM 1091 CB GLU A 67 7.221 -15.040 -12.544 1.00 13.44 C ATOM 1092 CG GLU A 67 7.345 -13.910 -13.521 1.00 2.50 C ATOM 1093 CD GLU A 67 7.378 -14.380 -14.954 1.00 42.32 C ATOM 1094 OE1 GLU A 67 6.322 -14.540 -15.591 1.00 24.32 O ATOM 1095 OE2 GLU A 67 8.501 -14.616 -15.462 1.00 74.22 O ATOM 0 H GLU A 67 5.169 -13.806 -12.143 1.00 54.24 H new ATOM 0 HA GLU A 67 5.675 -16.160 -13.559 1.00 62.24 H new ATOM 0 HB2 GLU A 67 7.401 -14.660 -11.538 1.00 13.44 H new ATOM 0 HB3 GLU A 67 7.999 -15.774 -12.751 1.00 13.44 H new ATOM 0 HG2 GLU A 67 6.507 -13.226 -13.387 1.00 2.50 H new ATOM 0 HG3 GLU A 67 8.254 -13.348 -13.306 1.00 2.50 H new ATOM 1102 N GLN A 68 5.909 -16.421 -10.294 1.00 72.11 N ATOM 1103 CA GLN A 68 5.979 -17.362 -9.176 1.00 31.23 C ATOM 1104 C GLN A 68 4.787 -18.316 -9.126 1.00 2.35 C ATOM 1105 O GLN A 68 4.966 -19.542 -9.029 1.00 3.11 O ATOM 1106 CB GLN A 68 6.136 -16.624 -7.847 1.00 15.23 C ATOM 1107 CG GLN A 68 7.460 -15.897 -7.696 1.00 52.22 C ATOM 1108 CD GLN A 68 8.646 -16.838 -7.788 1.00 22.34 C ATOM 1109 OE1 GLN A 68 9.094 -17.388 -6.788 1.00 40.13 O ATOM 1110 NE2 GLN A 68 9.168 -17.024 -8.972 1.00 34.54 N ATOM 0 H GLN A 68 5.891 -15.440 -10.014 1.00 72.11 H new ATOM 0 HA GLN A 68 6.865 -17.974 -9.345 1.00 31.23 H new ATOM 0 HB2 GLN A 68 5.324 -15.904 -7.745 1.00 15.23 H new ATOM 0 HB3 GLN A 68 6.031 -17.340 -7.031 1.00 15.23 H new ATOM 0 HG2 GLN A 68 7.543 -15.134 -8.470 1.00 52.22 H new ATOM 0 HG3 GLN A 68 7.482 -15.381 -6.736 1.00 52.22 H new ATOM 0 HE21 GLN A 68 8.771 -16.551 -9.784 1.00 34.54 H new ATOM 0 HE22 GLN A 68 9.972 -17.642 -9.084 1.00 34.54 H new ATOM 1119 N GLU A 69 3.598 -17.760 -9.221 1.00 11.34 N ATOM 1120 CA GLU A 69 2.366 -18.526 -9.165 1.00 43.41 C ATOM 1121 C GLU A 69 2.305 -19.572 -10.269 1.00 62.42 C ATOM 1122 O GLU A 69 2.107 -20.745 -9.997 1.00 61.14 O ATOM 1123 CB GLU A 69 1.162 -17.600 -9.274 1.00 51.34 C ATOM 1124 CG GLU A 69 1.028 -16.590 -8.142 1.00 3.43 C ATOM 1125 CD GLU A 69 0.733 -17.211 -6.810 1.00 13.41 C ATOM 1126 OE1 GLU A 69 -0.444 -17.486 -6.525 1.00 64.43 O ATOM 1127 OE2 GLU A 69 1.669 -17.419 -6.015 1.00 15.23 O ATOM 0 H GLU A 69 3.456 -16.757 -9.340 1.00 11.34 H new ATOM 0 HA GLU A 69 2.345 -19.041 -8.205 1.00 43.41 H new ATOM 0 HB2 GLU A 69 1.221 -17.060 -10.219 1.00 51.34 H new ATOM 0 HB3 GLU A 69 0.257 -18.207 -9.310 1.00 51.34 H new ATOM 0 HG2 GLU A 69 1.952 -16.016 -8.068 1.00 3.43 H new ATOM 0 HG3 GLU A 69 0.234 -15.885 -8.388 1.00 3.43 H new