USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 486 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 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.374 USER MOD Single : A 13 MET CE :methyl -120:sc= -2.71 (180deg=-4.21!) USER MOD Single : A 17 ASN : amide:sc= -5.8! C(o=-5.8!,f=-11!) USER MOD Single : A 18 SER OG : rot -163:sc= 0.778 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -3.05! X(o=-3!,f=-3.1) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0959 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -169:sc= -8.83! (180deg=-9.59!) USER MOD Single : A 47 LYS NZ :NH3+ 147:sc= -0.168 (180deg=-0.975) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 157:sc= 0.0766 (180deg=-0.0293) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00123) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 82 N ARG A 7 -0.094 0.088 -8.954 1.00 0.00 N ATOM 83 CA ARG A 7 0.303 0.287 -7.532 1.00 0.00 C ATOM 84 C ARG A 7 1.237 -0.839 -7.074 1.00 0.00 C ATOM 85 O ARG A 7 1.178 -1.942 -7.582 1.00 0.00 O ATOM 86 CB ARG A 7 -0.948 0.298 -6.653 1.00 0.00 C ATOM 87 CG ARG A 7 -1.805 1.516 -7.000 1.00 0.00 C ATOM 88 CD ARG A 7 -3.258 1.251 -6.602 1.00 0.00 C ATOM 89 NE ARG A 7 -3.682 -0.077 -7.127 1.00 0.00 N ATOM 90 CZ ARG A 7 -4.593 -0.766 -6.497 1.00 0.00 C ATOM 91 NH1 ARG A 7 -5.804 -0.296 -6.384 1.00 0.00 N ATOM 92 NH2 ARG A 7 -4.292 -1.927 -5.981 1.00 0.00 N ATOM 0 HA ARG A 7 0.828 1.238 -7.443 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.520 -0.617 -6.805 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.666 0.327 -5.601 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.430 2.397 -6.480 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.742 1.725 -8.068 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.359 1.274 -5.517 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.904 2.034 -6.999 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.260 -0.447 -7.979 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.039 0.610 -6.788 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.516 -0.835 -5.891 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.345 -2.295 -6.071 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.004 -2.466 -5.488 1.00 0.00 H new ATOM 106 N PRO A 8 2.067 -0.518 -6.111 1.00 0.00 N ATOM 107 CA PRO A 8 3.031 -1.468 -5.528 1.00 0.00 C ATOM 108 C PRO A 8 2.306 -2.484 -4.647 1.00 0.00 C ATOM 109 O PRO A 8 1.372 -2.158 -3.942 1.00 0.00 O ATOM 110 CB PRO A 8 3.955 -0.577 -4.691 1.00 0.00 C ATOM 111 CG PRO A 8 3.154 0.712 -4.392 1.00 0.00 C ATOM 112 CD PRO A 8 2.113 0.830 -5.516 1.00 0.00 C ATOM 0 HA PRO A 8 3.572 -2.046 -6.277 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.247 -1.077 -3.768 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.872 -0.349 -5.234 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.671 0.654 -3.417 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.809 1.583 -4.373 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.139 1.127 -5.127 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.404 1.580 -6.251 1.00 0.00 H new ATOM 120 N LEU A 9 2.725 -3.716 -4.690 1.00 0.00 N ATOM 121 CA LEU A 9 2.060 -4.756 -3.869 1.00 0.00 C ATOM 122 C LEU A 9 3.071 -5.846 -3.493 1.00 0.00 C ATOM 123 O LEU A 9 4.076 -6.032 -4.150 1.00 0.00 O ATOM 124 CB LEU A 9 0.891 -5.330 -4.666 1.00 0.00 C ATOM 125 CG LEU A 9 1.380 -5.778 -6.033 1.00 0.00 C ATOM 126 CD1 LEU A 9 2.223 -7.022 -5.843 1.00 0.00 C ATOM 127 CD2 LEU A 9 0.180 -6.099 -6.924 1.00 0.00 C ATOM 0 H LEU A 9 3.503 -4.046 -5.261 1.00 0.00 H new ATOM 0 HA LEU A 9 1.678 -4.326 -2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.451 -6.172 -4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.109 -4.579 -4.776 1.00 0.00 H new ATOM 0 HG LEU A 9 1.968 -4.991 -6.506 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.588 -7.366 -6.811 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.070 -6.792 -5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.619 -7.805 -5.384 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.531 -6.420 -7.905 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.408 -6.897 -6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.440 -5.209 -7.034 1.00 0.00 H new ATOM 139 N SER A 10 2.813 -6.555 -2.428 1.00 0.00 N ATOM 140 CA SER A 10 3.753 -7.627 -1.977 1.00 0.00 C ATOM 141 C SER A 10 4.215 -8.480 -3.164 1.00 0.00 C ATOM 142 O SER A 10 3.530 -8.612 -4.158 1.00 0.00 O ATOM 143 CB SER A 10 3.044 -8.524 -0.962 1.00 0.00 C ATOM 144 OG SER A 10 2.690 -7.754 0.181 1.00 0.00 O ATOM 0 H SER A 10 1.985 -6.438 -1.844 1.00 0.00 H new ATOM 0 HA SER A 10 4.625 -7.157 -1.523 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.152 -8.964 -1.409 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.695 -9.349 -0.672 1.00 0.00 H new ATOM 0 HG SER A 10 2.234 -8.326 0.833 1.00 0.00 H new ATOM 150 N ALA A 11 5.374 -9.070 -3.060 1.00 0.00 N ATOM 151 CA ALA A 11 5.882 -9.923 -4.172 1.00 0.00 C ATOM 152 C ALA A 11 4.901 -11.074 -4.409 1.00 0.00 C ATOM 153 O ALA A 11 4.556 -11.391 -5.531 1.00 0.00 O ATOM 154 CB ALA A 11 7.253 -10.489 -3.797 1.00 0.00 C ATOM 0 H ALA A 11 5.992 -8.998 -2.252 1.00 0.00 H new ATOM 0 HA ALA A 11 5.975 -9.326 -5.080 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.624 -11.113 -4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.950 -9.669 -3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.164 -11.089 -2.891 1.00 0.00 H new ATOM 160 N TYR A 12 4.440 -11.693 -3.355 1.00 0.00 N ATOM 161 CA TYR A 12 3.475 -12.809 -3.507 1.00 0.00 C ATOM 162 C TYR A 12 2.247 -12.301 -4.259 1.00 0.00 C ATOM 163 O TYR A 12 1.521 -13.055 -4.875 1.00 0.00 O ATOM 164 CB TYR A 12 3.068 -13.283 -2.116 1.00 0.00 C ATOM 165 CG TYR A 12 1.876 -14.200 -2.221 1.00 0.00 C ATOM 166 CD1 TYR A 12 1.963 -15.366 -2.988 1.00 0.00 C ATOM 167 CD2 TYR A 12 0.685 -13.887 -1.555 1.00 0.00 C ATOM 168 CE1 TYR A 12 0.861 -16.222 -3.090 1.00 0.00 C ATOM 169 CE2 TYR A 12 -0.418 -14.743 -1.655 1.00 0.00 C ATOM 170 CZ TYR A 12 -0.330 -15.911 -2.423 1.00 0.00 C ATOM 171 OH TYR A 12 -1.418 -16.755 -2.521 1.00 0.00 O ATOM 0 H TYR A 12 4.694 -11.469 -2.393 1.00 0.00 H new ATOM 0 HA TYR A 12 3.922 -13.633 -4.063 1.00 0.00 H new ATOM 0 HB2 TYR A 12 3.899 -13.804 -1.641 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.826 -12.427 -1.486 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.882 -15.606 -3.502 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.617 -12.985 -0.964 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.929 -17.122 -3.683 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.337 -14.503 -1.140 1.00 0.00 H new ATOM 0 HH TYR A 12 -2.162 -16.392 -1.997 1.00 0.00 H new ATOM 181 N MET A 13 2.012 -11.019 -4.207 1.00 0.00 N ATOM 182 CA MET A 13 0.836 -10.445 -4.910 1.00 0.00 C ATOM 183 C MET A 13 1.144 -10.313 -6.406 1.00 0.00 C ATOM 184 O MET A 13 0.284 -10.519 -7.236 1.00 0.00 O ATOM 185 CB MET A 13 0.512 -9.072 -4.319 1.00 0.00 C ATOM 186 CG MET A 13 -0.707 -9.184 -3.400 1.00 0.00 C ATOM 187 SD MET A 13 -2.216 -8.914 -4.360 1.00 0.00 S ATOM 188 CE MET A 13 -2.616 -10.656 -4.644 1.00 0.00 C ATOM 0 H MET A 13 2.588 -10.343 -3.705 1.00 0.00 H new ATOM 0 HA MET A 13 -0.024 -11.103 -4.782 1.00 0.00 H new ATOM 0 HB2 MET A 13 1.368 -8.694 -3.760 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.313 -8.358 -5.119 1.00 0.00 H new ATOM 0 HG2 MET A 13 -0.733 -10.168 -2.932 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.638 -8.450 -2.597 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.635 -10.855 -5.716 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.861 -11.284 -4.172 1.00 0.00 H new ATOM 0 HE3 MET A 13 -3.593 -10.879 -4.216 1.00 0.00 H new ATOM 198 N LEU A 14 2.362 -9.987 -6.770 1.00 0.00 N ATOM 199 CA LEU A 14 2.679 -9.873 -8.227 1.00 0.00 C ATOM 200 C LEU A 14 2.465 -11.240 -8.872 1.00 0.00 C ATOM 201 O LEU A 14 1.730 -11.381 -9.829 1.00 0.00 O ATOM 202 CB LEU A 14 4.135 -9.440 -8.447 1.00 0.00 C ATOM 203 CG LEU A 14 4.443 -8.196 -7.604 1.00 0.00 C ATOM 204 CD1 LEU A 14 5.953 -7.929 -7.599 1.00 0.00 C ATOM 205 CD2 LEU A 14 3.723 -6.988 -8.209 1.00 0.00 C ATOM 0 H LEU A 14 3.136 -9.798 -6.134 1.00 0.00 H new ATOM 0 HA LEU A 14 2.028 -9.121 -8.673 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.810 -10.251 -8.174 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.304 -9.226 -9.502 1.00 0.00 H new ATOM 0 HG LEU A 14 4.102 -8.361 -6.582 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.164 -7.044 -6.998 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.473 -8.788 -7.175 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.297 -7.765 -8.620 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.938 -6.101 -7.614 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.069 -6.832 -9.231 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.648 -7.170 -8.214 1.00 0.00 H new ATOM 217 N TRP A 15 3.092 -12.253 -8.343 1.00 0.00 N ATOM 218 CA TRP A 15 2.915 -13.616 -8.912 1.00 0.00 C ATOM 219 C TRP A 15 1.427 -13.959 -8.897 1.00 0.00 C ATOM 220 O TRP A 15 0.912 -14.592 -9.797 1.00 0.00 O ATOM 221 CB TRP A 15 3.681 -14.620 -8.052 1.00 0.00 C ATOM 222 CG TRP A 15 3.344 -16.010 -8.480 1.00 0.00 C ATOM 223 CD1 TRP A 15 3.991 -16.703 -9.443 1.00 0.00 C ATOM 224 CD2 TRP A 15 2.298 -16.887 -7.974 1.00 0.00 C ATOM 225 NE1 TRP A 15 3.403 -17.952 -9.566 1.00 0.00 N ATOM 226 CE2 TRP A 15 2.354 -18.112 -8.681 1.00 0.00 C ATOM 227 CE3 TRP A 15 1.315 -16.737 -6.982 1.00 0.00 C ATOM 228 CZ2 TRP A 15 1.463 -19.154 -8.410 1.00 0.00 C ATOM 229 CZ3 TRP A 15 0.418 -17.780 -6.705 1.00 0.00 C ATOM 230 CH2 TRP A 15 0.491 -18.987 -7.418 1.00 0.00 C ATOM 0 H TRP A 15 3.719 -12.195 -7.541 1.00 0.00 H new ATOM 0 HA TRP A 15 3.294 -13.653 -9.933 1.00 0.00 H new ATOM 0 HB2 TRP A 15 4.754 -14.450 -8.146 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.427 -14.481 -7.001 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.829 -16.343 -10.022 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.707 -18.665 -10.228 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.249 -15.812 -6.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 1.524 -20.080 -8.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.333 -17.653 -5.939 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.203 -19.786 -7.201 1.00 0.00 H new ATOM 241 N LEU A 16 0.736 -13.536 -7.876 1.00 0.00 N ATOM 242 CA LEU A 16 -0.720 -13.820 -7.784 1.00 0.00 C ATOM 243 C LEU A 16 -1.425 -13.299 -9.038 1.00 0.00 C ATOM 244 O LEU A 16 -2.145 -14.019 -9.701 1.00 0.00 O ATOM 245 CB LEU A 16 -1.287 -13.108 -6.556 1.00 0.00 C ATOM 246 CG LEU A 16 -2.144 -14.079 -5.746 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.274 -14.617 -6.624 1.00 0.00 C ATOM 248 CD2 LEU A 16 -1.279 -15.244 -5.262 1.00 0.00 C ATOM 0 H LEU A 16 1.121 -13.002 -7.097 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.879 -14.895 -7.700 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.474 -12.724 -5.939 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.885 -12.251 -6.865 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.566 -13.558 -4.887 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.885 -15.310 -6.046 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.892 -13.788 -6.969 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.851 -15.137 -7.484 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.891 -15.936 -4.684 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.856 -15.764 -6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.473 -14.863 -4.635 1.00 0.00 H new ATOM 260 N ASN A 17 -1.228 -12.049 -9.366 1.00 0.00 N ATOM 261 CA ASN A 17 -1.890 -11.480 -10.572 1.00 0.00 C ATOM 262 C ASN A 17 -1.261 -12.076 -11.831 1.00 0.00 C ATOM 263 O ASN A 17 -1.808 -11.987 -12.912 1.00 0.00 O ATOM 264 CB ASN A 17 -1.730 -9.962 -10.577 1.00 0.00 C ATOM 265 CG ASN A 17 -0.263 -9.585 -10.800 1.00 0.00 C ATOM 266 OD1 ASN A 17 0.394 -10.128 -11.666 1.00 0.00 O ATOM 267 ND2 ASN A 17 0.283 -8.665 -10.050 1.00 0.00 N ATOM 0 H ASN A 17 -0.636 -11.399 -8.849 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.952 -11.726 -10.553 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.348 -9.527 -11.362 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.079 -9.549 -9.631 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.259 -8.404 -10.192 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.267 -8.208 -9.322 1.00 0.00 H new ATOM 274 N SER A 18 -0.118 -12.689 -11.696 1.00 0.00 N ATOM 275 CA SER A 18 0.543 -13.299 -12.881 1.00 0.00 C ATOM 276 C SER A 18 0.217 -14.792 -12.931 1.00 0.00 C ATOM 277 O SER A 18 0.703 -15.517 -13.777 1.00 0.00 O ATOM 278 CB SER A 18 2.050 -13.109 -12.774 1.00 0.00 C ATOM 279 OG SER A 18 2.643 -14.291 -12.250 1.00 0.00 O ATOM 0 H SER A 18 0.386 -12.793 -10.816 1.00 0.00 H new ATOM 0 HA SER A 18 0.181 -12.818 -13.790 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.469 -12.884 -13.755 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.275 -12.260 -12.128 1.00 0.00 H new ATOM 0 HG SER A 18 3.549 -14.090 -11.935 1.00 0.00 H new ATOM 285 N ALA A 19 -0.605 -15.258 -12.029 1.00 0.00 N ATOM 286 CA ALA A 19 -0.964 -16.701 -12.023 1.00 0.00 C ATOM 287 C ALA A 19 -2.485 -16.848 -12.048 1.00 0.00 C ATOM 288 O ALA A 19 -3.007 -17.941 -12.049 1.00 0.00 O ATOM 289 CB ALA A 19 -0.415 -17.359 -10.754 1.00 0.00 C ATOM 0 H ALA A 19 -1.042 -14.699 -11.296 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.535 -17.184 -12.901 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.678 -18.417 -10.750 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.670 -17.255 -10.730 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.845 -16.874 -9.878 1.00 0.00 H new ATOM 295 N ARG A 20 -3.201 -15.757 -12.061 1.00 0.00 N ATOM 296 CA ARG A 20 -4.689 -15.843 -12.078 1.00 0.00 C ATOM 297 C ARG A 20 -5.150 -16.521 -13.367 1.00 0.00 C ATOM 298 O ARG A 20 -6.265 -16.997 -13.463 1.00 0.00 O ATOM 299 CB ARG A 20 -5.283 -14.434 -12.000 1.00 0.00 C ATOM 300 CG ARG A 20 -6.074 -14.284 -10.699 1.00 0.00 C ATOM 301 CD ARG A 20 -6.969 -13.045 -10.782 1.00 0.00 C ATOM 302 NE ARG A 20 -8.288 -13.424 -11.365 1.00 0.00 N ATOM 303 CZ ARG A 20 -8.339 -14.060 -12.503 1.00 0.00 C ATOM 304 NH1 ARG A 20 -8.164 -13.411 -13.621 1.00 0.00 N ATOM 305 NH2 ARG A 20 -8.566 -15.343 -12.520 1.00 0.00 N ATOM 0 H ARG A 20 -2.820 -14.811 -12.061 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.027 -16.428 -11.222 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.488 -13.690 -12.042 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.933 -14.254 -12.856 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.681 -15.173 -10.526 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.391 -14.196 -9.854 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.108 -12.616 -9.790 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.494 -12.280 -11.396 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.150 -13.186 -10.874 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.987 -12.407 -13.605 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.204 -13.908 -14.511 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.703 -15.848 -11.645 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.606 -15.842 -13.409 1.00 0.00 H new ATOM 319 N GLU A 21 -4.306 -16.575 -14.358 1.00 0.00 N ATOM 320 CA GLU A 21 -4.705 -17.230 -15.634 1.00 0.00 C ATOM 321 C GLU A 21 -4.563 -18.739 -15.481 1.00 0.00 C ATOM 322 O GLU A 21 -5.531 -19.474 -15.520 1.00 0.00 O ATOM 323 CB GLU A 21 -3.803 -16.737 -16.766 1.00 0.00 C ATOM 324 CG GLU A 21 -4.388 -15.458 -17.369 1.00 0.00 C ATOM 325 CD GLU A 21 -4.227 -15.493 -18.890 1.00 0.00 C ATOM 326 OE1 GLU A 21 -4.284 -16.575 -19.448 1.00 0.00 O ATOM 327 OE2 GLU A 21 -4.049 -14.434 -19.470 1.00 0.00 O ATOM 0 H GLU A 21 -3.360 -16.195 -14.340 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.740 -16.982 -15.870 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.799 -16.546 -16.387 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.714 -17.505 -17.534 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.442 -15.368 -17.106 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.881 -14.585 -16.959 1.00 0.00 H new ATOM 334 N SER A 22 -3.365 -19.207 -15.292 1.00 0.00 N ATOM 335 CA SER A 22 -3.162 -20.668 -15.117 1.00 0.00 C ATOM 336 C SER A 22 -3.880 -21.111 -13.842 1.00 0.00 C ATOM 337 O SER A 22 -4.073 -22.285 -13.600 1.00 0.00 O ATOM 338 CB SER A 22 -1.668 -20.968 -14.995 1.00 0.00 C ATOM 339 OG SER A 22 -1.290 -20.929 -13.625 1.00 0.00 O ATOM 0 H SER A 22 -2.517 -18.641 -15.251 1.00 0.00 H new ATOM 0 HA SER A 22 -3.563 -21.205 -15.977 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.447 -21.948 -15.417 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.091 -20.239 -15.564 1.00 0.00 H new ATOM 0 HG SER A 22 -0.333 -21.123 -13.544 1.00 0.00 H new ATOM 345 N ILE A 23 -4.282 -20.173 -13.025 1.00 0.00 N ATOM 346 CA ILE A 23 -4.992 -20.531 -11.769 1.00 0.00 C ATOM 347 C ILE A 23 -6.468 -20.763 -12.083 1.00 0.00 C ATOM 348 O ILE A 23 -7.045 -21.761 -11.696 1.00 0.00 O ATOM 349 CB ILE A 23 -4.845 -19.381 -10.760 1.00 0.00 C ATOM 350 CG1 ILE A 23 -3.507 -19.521 -10.029 1.00 0.00 C ATOM 351 CG2 ILE A 23 -5.985 -19.423 -9.736 1.00 0.00 C ATOM 352 CD1 ILE A 23 -3.309 -18.331 -9.088 1.00 0.00 C ATOM 0 H ILE A 23 -4.147 -19.173 -13.177 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.565 -21.439 -11.342 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.883 -18.432 -11.295 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.486 -20.452 -9.463 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.691 -19.567 -10.750 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.868 -18.603 -9.028 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.941 -19.324 -10.251 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.958 -20.372 -9.200 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.356 -18.432 -8.569 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.311 -17.406 -9.665 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.119 -18.305 -8.359 1.00 0.00 H new ATOM 364 N LYS A 24 -7.088 -19.845 -12.770 1.00 0.00 N ATOM 365 CA LYS A 24 -8.521 -20.010 -13.091 1.00 0.00 C ATOM 366 C LYS A 24 -8.704 -21.153 -14.101 1.00 0.00 C ATOM 367 O LYS A 24 -9.807 -21.587 -14.369 1.00 0.00 O ATOM 368 CB LYS A 24 -9.038 -18.685 -13.660 1.00 0.00 C ATOM 369 CG LYS A 24 -8.873 -18.664 -15.179 1.00 0.00 C ATOM 370 CD LYS A 24 -9.446 -17.362 -15.745 1.00 0.00 C ATOM 371 CE LYS A 24 -9.566 -17.476 -17.266 1.00 0.00 C ATOM 372 NZ LYS A 24 -10.687 -16.619 -17.743 1.00 0.00 N ATOM 0 H LYS A 24 -6.659 -18.989 -13.121 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.087 -20.267 -12.196 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.088 -18.554 -13.399 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.492 -17.852 -13.216 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.819 -18.752 -15.441 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.384 -19.519 -15.621 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.424 -17.161 -15.306 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.801 -16.524 -15.482 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.633 -17.169 -17.739 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.741 -18.514 -17.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.768 -16.697 -18.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.575 -16.932 -17.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.502 -15.629 -17.484 1.00 0.00 H new ATOM 386 N ARG A 25 -7.629 -21.637 -14.670 1.00 0.00 N ATOM 387 CA ARG A 25 -7.748 -22.739 -15.663 1.00 0.00 C ATOM 388 C ARG A 25 -7.539 -24.091 -14.973 1.00 0.00 C ATOM 389 O ARG A 25 -8.226 -25.053 -15.251 1.00 0.00 O ATOM 390 CB ARG A 25 -6.700 -22.546 -16.771 1.00 0.00 C ATOM 391 CG ARG A 25 -5.328 -23.051 -16.305 1.00 0.00 C ATOM 392 CD ARG A 25 -4.366 -23.065 -17.485 1.00 0.00 C ATOM 393 NE ARG A 25 -5.086 -23.508 -18.712 1.00 0.00 N ATOM 394 CZ ARG A 25 -4.960 -24.737 -19.134 1.00 0.00 C ATOM 395 NH1 ARG A 25 -3.915 -25.082 -19.836 1.00 0.00 N ATOM 396 NH2 ARG A 25 -5.877 -25.623 -18.851 1.00 0.00 N ATOM 0 H ARG A 25 -6.678 -21.316 -14.488 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.745 -22.721 -16.103 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.007 -23.084 -17.668 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.635 -21.491 -17.038 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.941 -22.408 -15.514 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.420 -24.053 -15.885 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.946 -22.071 -17.637 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.532 -23.735 -17.279 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.677 -22.851 -19.222 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.197 -24.391 -20.055 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.816 -26.042 -20.166 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.692 -25.355 -18.300 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.778 -26.583 -19.181 1.00 0.00 H new ATOM 410 N GLU A 26 -6.589 -24.175 -14.084 1.00 0.00 N ATOM 411 CA GLU A 26 -6.331 -25.466 -13.388 1.00 0.00 C ATOM 412 C GLU A 26 -7.370 -25.679 -12.287 1.00 0.00 C ATOM 413 O GLU A 26 -7.512 -26.763 -11.756 1.00 0.00 O ATOM 414 CB GLU A 26 -4.930 -25.441 -12.771 1.00 0.00 C ATOM 415 CG GLU A 26 -4.924 -24.527 -11.544 1.00 0.00 C ATOM 416 CD GLU A 26 -3.484 -24.310 -11.078 1.00 0.00 C ATOM 417 OE1 GLU A 26 -2.963 -25.180 -10.401 1.00 0.00 O ATOM 418 OE2 GLU A 26 -2.926 -23.277 -11.408 1.00 0.00 O ATOM 0 H GLU A 26 -5.980 -23.405 -13.809 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.399 -26.282 -14.107 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.629 -26.449 -12.487 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.205 -25.087 -13.504 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.387 -23.571 -11.787 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.514 -24.972 -10.743 1.00 0.00 H new ATOM 425 N ASN A 27 -8.095 -24.656 -11.936 1.00 0.00 N ATOM 426 CA ASN A 27 -9.118 -24.807 -10.865 1.00 0.00 C ATOM 427 C ASN A 27 -10.509 -24.950 -11.489 1.00 0.00 C ATOM 428 O ASN A 27 -10.782 -24.391 -12.533 1.00 0.00 O ATOM 429 CB ASN A 27 -9.090 -23.576 -9.956 1.00 0.00 C ATOM 430 CG ASN A 27 -7.707 -23.445 -9.315 1.00 0.00 C ATOM 431 OD1 ASN A 27 -7.061 -24.434 -9.035 1.00 0.00 O ATOM 432 ND2 ASN A 27 -7.225 -22.258 -9.068 1.00 0.00 N ATOM 0 H ASN A 27 -8.024 -23.723 -12.343 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.895 -25.699 -10.280 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.322 -22.680 -10.532 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.854 -23.664 -9.183 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.305 -22.160 -8.639 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.769 -21.428 -9.304 1.00 0.00 H new ATOM 439 N PRO A 28 -11.347 -25.699 -10.819 1.00 0.00 N ATOM 440 CA PRO A 28 -12.727 -25.949 -11.261 1.00 0.00 C ATOM 441 C PRO A 28 -13.611 -24.748 -10.941 1.00 0.00 C ATOM 442 O PRO A 28 -14.451 -24.807 -10.066 1.00 0.00 O ATOM 443 CB PRO A 28 -13.158 -27.158 -10.448 1.00 0.00 C ATOM 444 CG PRO A 28 -12.244 -27.195 -9.218 1.00 0.00 C ATOM 445 CD PRO A 28 -10.995 -26.369 -9.557 1.00 0.00 C ATOM 0 HA PRO A 28 -12.804 -26.115 -12.335 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -14.204 -27.076 -10.153 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -13.062 -28.074 -11.032 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.754 -26.783 -8.347 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.972 -28.221 -8.972 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.767 -25.648 -8.772 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.116 -27.003 -9.673 1.00 0.00 H new ATOM 453 N GLY A 29 -13.421 -23.649 -11.619 1.00 0.00 N ATOM 454 CA GLY A 29 -14.248 -22.454 -11.309 1.00 0.00 C ATOM 455 C GLY A 29 -14.238 -22.264 -9.793 1.00 0.00 C ATOM 456 O GLY A 29 -15.151 -21.713 -9.213 1.00 0.00 O ATOM 0 H GLY A 29 -12.736 -23.529 -12.366 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.847 -21.572 -11.808 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.267 -22.590 -11.671 1.00 0.00 H new ATOM 460 N ILE A 30 -13.201 -22.741 -9.155 1.00 0.00 N ATOM 461 CA ILE A 30 -13.098 -22.627 -7.680 1.00 0.00 C ATOM 462 C ILE A 30 -13.598 -21.258 -7.220 1.00 0.00 C ATOM 463 O ILE A 30 -13.595 -20.299 -7.967 1.00 0.00 O ATOM 464 CB ILE A 30 -11.641 -22.812 -7.281 1.00 0.00 C ATOM 465 CG1 ILE A 30 -11.512 -22.802 -5.756 1.00 0.00 C ATOM 466 CG2 ILE A 30 -10.837 -21.672 -7.871 1.00 0.00 C ATOM 467 CD1 ILE A 30 -10.037 -22.946 -5.369 1.00 0.00 C ATOM 0 H ILE A 30 -12.414 -23.210 -9.604 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.713 -23.392 -7.207 1.00 0.00 H new ATOM 0 HB ILE A 30 -11.270 -23.766 -7.655 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -11.916 -21.874 -5.352 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -12.094 -23.617 -5.326 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.788 -21.786 -7.596 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -10.931 -21.684 -8.957 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.212 -20.724 -7.485 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.943 -22.939 -4.283 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.648 -23.886 -5.761 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.468 -22.116 -5.787 1.00 0.00 H new ATOM 479 N LYS A 31 -14.026 -21.162 -5.994 1.00 0.00 N ATOM 480 CA LYS A 31 -14.526 -19.862 -5.477 1.00 0.00 C ATOM 481 C LYS A 31 -13.411 -18.816 -5.560 1.00 0.00 C ATOM 482 O LYS A 31 -12.249 -19.144 -5.698 1.00 0.00 O ATOM 483 CB LYS A 31 -14.964 -20.031 -4.026 1.00 0.00 C ATOM 484 CG LYS A 31 -15.799 -21.305 -3.886 1.00 0.00 C ATOM 485 CD LYS A 31 -16.871 -21.340 -4.978 1.00 0.00 C ATOM 486 CE LYS A 31 -17.731 -22.594 -4.810 1.00 0.00 C ATOM 487 NZ LYS A 31 -18.080 -23.138 -6.152 1.00 0.00 N ATOM 0 H LYS A 31 -14.051 -21.932 -5.326 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.374 -19.532 -6.076 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -14.091 -20.084 -3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -15.546 -19.166 -3.708 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -15.157 -22.183 -3.964 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.267 -21.339 -2.902 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -17.495 -20.448 -4.919 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -16.403 -21.337 -5.962 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.192 -23.343 -4.231 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.638 -22.355 -4.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -18.665 -23.991 -6.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -18.610 -22.423 -6.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -17.209 -23.381 -6.665 1.00 0.00 H new ATOM 501 N VAL A 32 -13.756 -17.560 -5.480 1.00 0.00 N ATOM 502 CA VAL A 32 -12.730 -16.496 -5.557 1.00 0.00 C ATOM 503 C VAL A 32 -11.923 -16.464 -4.253 1.00 0.00 C ATOM 504 O VAL A 32 -10.771 -16.080 -4.236 1.00 0.00 O ATOM 505 CB VAL A 32 -13.423 -15.152 -5.797 1.00 0.00 C ATOM 506 CG1 VAL A 32 -14.738 -15.127 -5.043 1.00 0.00 C ATOM 507 CG2 VAL A 32 -12.548 -14.019 -5.291 1.00 0.00 C ATOM 0 H VAL A 32 -14.714 -17.228 -5.364 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.045 -16.695 -6.381 1.00 0.00 H new ATOM 0 HB VAL A 32 -13.598 -15.027 -6.866 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -15.235 -14.172 -5.211 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -15.376 -15.936 -5.398 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -14.549 -15.255 -3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -13.049 -13.067 -5.466 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.371 -14.145 -4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.595 -14.031 -5.821 1.00 0.00 H new ATOM 517 N THR A 33 -12.519 -16.860 -3.163 1.00 0.00 N ATOM 518 CA THR A 33 -11.784 -16.845 -1.867 1.00 0.00 C ATOM 519 C THR A 33 -10.799 -18.016 -1.819 1.00 0.00 C ATOM 520 O THR A 33 -9.729 -17.916 -1.255 1.00 0.00 O ATOM 521 CB THR A 33 -12.783 -16.968 -0.714 1.00 0.00 C ATOM 522 OG1 THR A 33 -13.968 -17.597 -1.184 1.00 0.00 O ATOM 523 CG2 THR A 33 -13.119 -15.575 -0.180 1.00 0.00 C ATOM 0 H THR A 33 -13.482 -17.193 -3.113 1.00 0.00 H new ATOM 0 HA THR A 33 -11.234 -15.909 -1.774 1.00 0.00 H new ATOM 0 HB THR A 33 -12.347 -17.566 0.086 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.609 -17.679 -0.447 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.830 -15.662 0.641 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.209 -15.093 0.178 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.557 -14.975 -0.978 1.00 0.00 H new ATOM 531 N GLU A 34 -11.153 -19.127 -2.405 1.00 0.00 N ATOM 532 CA GLU A 34 -10.234 -20.300 -2.389 1.00 0.00 C ATOM 533 C GLU A 34 -9.173 -20.136 -3.479 1.00 0.00 C ATOM 534 O GLU A 34 -8.201 -20.863 -3.528 1.00 0.00 O ATOM 535 CB GLU A 34 -11.035 -21.582 -2.644 1.00 0.00 C ATOM 536 CG GLU A 34 -11.949 -21.862 -1.450 1.00 0.00 C ATOM 537 CD GLU A 34 -11.142 -22.520 -0.330 1.00 0.00 C ATOM 538 OE1 GLU A 34 -10.986 -23.730 -0.370 1.00 0.00 O ATOM 539 OE2 GLU A 34 -10.692 -21.803 0.549 1.00 0.00 O ATOM 0 H GLU A 34 -12.037 -19.273 -2.893 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.747 -20.364 -1.416 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.628 -21.477 -3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.357 -22.421 -2.801 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.394 -20.933 -1.094 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.769 -22.513 -1.752 1.00 0.00 H new ATOM 546 N VAL A 35 -9.350 -19.185 -4.357 1.00 0.00 N ATOM 547 CA VAL A 35 -8.352 -18.976 -5.443 1.00 0.00 C ATOM 548 C VAL A 35 -7.090 -18.332 -4.864 1.00 0.00 C ATOM 549 O VAL A 35 -5.993 -18.563 -5.334 1.00 0.00 O ATOM 550 CB VAL A 35 -8.952 -18.066 -6.513 1.00 0.00 C ATOM 551 CG1 VAL A 35 -7.844 -17.546 -7.434 1.00 0.00 C ATOM 552 CG2 VAL A 35 -9.970 -18.854 -7.337 1.00 0.00 C ATOM 0 H VAL A 35 -10.143 -18.544 -4.368 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.091 -19.936 -5.889 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.445 -17.221 -6.032 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.278 -16.898 -8.195 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.118 -16.982 -6.848 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.346 -18.388 -7.915 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.399 -18.206 -8.101 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.475 -19.700 -7.814 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.763 -19.219 -6.684 1.00 0.00 H new ATOM 562 N ALA A 36 -7.235 -17.527 -3.849 1.00 0.00 N ATOM 563 CA ALA A 36 -6.043 -16.871 -3.245 1.00 0.00 C ATOM 564 C ALA A 36 -5.336 -17.856 -2.311 1.00 0.00 C ATOM 565 O ALA A 36 -4.127 -17.856 -2.192 1.00 0.00 O ATOM 566 CB ALA A 36 -6.488 -15.641 -2.449 1.00 0.00 C ATOM 0 H ALA A 36 -8.127 -17.295 -3.412 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.357 -16.565 -4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.616 -15.159 -2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.991 -14.939 -3.114 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.174 -15.947 -1.659 1.00 0.00 H new ATOM 572 N LYS A 37 -6.082 -18.695 -1.646 1.00 0.00 N ATOM 573 CA LYS A 37 -5.466 -19.677 -0.718 1.00 0.00 C ATOM 574 C LYS A 37 -4.683 -20.726 -1.513 1.00 0.00 C ATOM 575 O LYS A 37 -3.544 -21.025 -1.215 1.00 0.00 O ATOM 576 CB LYS A 37 -6.579 -20.336 0.085 1.00 0.00 C ATOM 577 CG LYS A 37 -6.130 -21.698 0.623 1.00 0.00 C ATOM 578 CD LYS A 37 -6.557 -21.823 2.086 1.00 0.00 C ATOM 579 CE LYS A 37 -5.548 -22.686 2.845 1.00 0.00 C ATOM 580 NZ LYS A 37 -6.085 -24.068 2.989 1.00 0.00 N ATOM 0 H LYS A 37 -7.099 -18.740 -1.708 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.771 -19.177 -0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.867 -19.690 0.914 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.461 -20.461 -0.543 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.572 -22.500 0.032 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.048 -21.798 0.537 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.621 -20.835 2.542 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.550 -22.268 2.148 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.598 -22.707 2.311 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.352 -22.256 3.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.399 -24.655 3.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.981 -24.039 3.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.250 -24.476 2.047 1.00 0.00 H new ATOM 594 N ARG A 38 -5.289 -21.288 -2.519 1.00 0.00 N ATOM 595 CA ARG A 38 -4.587 -22.319 -3.331 1.00 0.00 C ATOM 596 C ARG A 38 -3.460 -21.665 -4.134 1.00 0.00 C ATOM 597 O ARG A 38 -2.507 -22.310 -4.519 1.00 0.00 O ATOM 598 CB ARG A 38 -5.585 -22.972 -4.290 1.00 0.00 C ATOM 599 CG ARG A 38 -5.803 -24.431 -3.886 1.00 0.00 C ATOM 600 CD ARG A 38 -6.311 -24.495 -2.445 1.00 0.00 C ATOM 601 NE ARG A 38 -5.424 -25.387 -1.647 1.00 0.00 N ATOM 602 CZ ARG A 38 -5.108 -26.568 -2.103 1.00 0.00 C ATOM 603 NH1 ARG A 38 -6.026 -27.329 -2.634 1.00 0.00 N ATOM 604 NH2 ARG A 38 -3.875 -26.989 -2.030 1.00 0.00 N ATOM 0 H ARG A 38 -6.242 -21.078 -2.815 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.164 -23.076 -2.670 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.532 -22.433 -4.269 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.211 -22.919 -5.312 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.522 -24.901 -4.557 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.870 -24.988 -3.978 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -6.328 -23.496 -2.009 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.335 -24.869 -2.425 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.064 -25.075 -0.745 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.990 -27.000 -2.692 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.779 -28.252 -2.991 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.157 -26.395 -1.616 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.629 -27.912 -2.387 1.00 0.00 H new ATOM 618 N GLY A 39 -3.561 -20.389 -4.390 1.00 0.00 N ATOM 619 CA GLY A 39 -2.493 -19.699 -5.168 1.00 0.00 C ATOM 620 C GLY A 39 -1.202 -19.667 -4.350 1.00 0.00 C ATOM 621 O GLY A 39 -0.120 -19.527 -4.884 1.00 0.00 O ATOM 0 H GLY A 39 -4.336 -19.795 -4.094 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.324 -20.217 -6.112 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.806 -18.684 -5.413 1.00 0.00 H new ATOM 625 N GLY A 40 -1.306 -19.793 -3.054 1.00 0.00 N ATOM 626 CA GLY A 40 -0.083 -19.769 -2.202 1.00 0.00 C ATOM 627 C GLY A 40 0.655 -21.105 -2.325 1.00 0.00 C ATOM 628 O GLY A 40 1.807 -21.224 -1.958 1.00 0.00 O ATOM 0 H GLY A 40 -2.184 -19.911 -2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.570 -18.952 -2.508 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.355 -19.587 -1.162 1.00 0.00 H new ATOM 632 N GLU A 41 0.002 -22.112 -2.838 1.00 0.00 N ATOM 633 CA GLU A 41 0.672 -23.435 -2.981 1.00 0.00 C ATOM 634 C GLU A 41 1.684 -23.375 -4.129 1.00 0.00 C ATOM 635 O GLU A 41 2.746 -23.961 -4.066 1.00 0.00 O ATOM 636 CB GLU A 41 -0.379 -24.513 -3.259 1.00 0.00 C ATOM 637 CG GLU A 41 -0.753 -24.524 -4.744 1.00 0.00 C ATOM 638 CD GLU A 41 -2.051 -25.309 -4.941 1.00 0.00 C ATOM 639 OE1 GLU A 41 -2.590 -25.783 -3.953 1.00 0.00 O ATOM 640 OE2 GLU A 41 -2.484 -25.424 -6.076 1.00 0.00 O ATOM 0 H GLU A 41 -0.964 -22.076 -3.163 1.00 0.00 H new ATOM 0 HA GLU A 41 1.197 -23.681 -2.058 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.007 -25.490 -2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.267 -24.328 -2.655 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.875 -23.503 -5.106 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.049 -24.976 -5.328 1.00 0.00 H new ATOM 647 N LEU A 42 1.356 -22.674 -5.179 1.00 0.00 N ATOM 648 CA LEU A 42 2.288 -22.577 -6.333 1.00 0.00 C ATOM 649 C LEU A 42 3.328 -21.485 -6.066 1.00 0.00 C ATOM 650 O LEU A 42 4.427 -21.521 -6.583 1.00 0.00 O ATOM 651 CB LEU A 42 1.491 -22.223 -7.589 1.00 0.00 C ATOM 652 CG LEU A 42 0.923 -23.500 -8.210 1.00 0.00 C ATOM 653 CD1 LEU A 42 0.201 -23.153 -9.512 1.00 0.00 C ATOM 654 CD2 LEU A 42 2.068 -24.474 -8.504 1.00 0.00 C ATOM 0 H LEU A 42 0.480 -22.163 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 42 2.797 -23.531 -6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.682 -21.537 -7.338 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.132 -21.711 -8.307 1.00 0.00 H new ATOM 0 HG LEU A 42 0.220 -23.963 -7.517 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.205 -24.062 -9.956 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.612 -22.457 -9.303 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.904 -22.692 -10.206 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.666 -25.385 -8.947 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.769 -24.012 -9.199 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.585 -24.719 -7.576 1.00 0.00 H new ATOM 666 N TRP A 43 2.990 -20.512 -5.264 1.00 0.00 N ATOM 667 CA TRP A 43 3.959 -19.419 -4.969 1.00 0.00 C ATOM 668 C TRP A 43 5.227 -20.015 -4.350 1.00 0.00 C ATOM 669 O TRP A 43 6.328 -19.750 -4.791 1.00 0.00 O ATOM 670 CB TRP A 43 3.321 -18.428 -3.990 1.00 0.00 C ATOM 671 CG TRP A 43 4.372 -17.533 -3.414 1.00 0.00 C ATOM 672 CD1 TRP A 43 4.920 -17.673 -2.187 1.00 0.00 C ATOM 673 CD2 TRP A 43 5.007 -16.369 -4.016 1.00 0.00 C ATOM 674 NE1 TRP A 43 5.853 -16.668 -1.996 1.00 0.00 N ATOM 675 CE2 TRP A 43 5.941 -15.837 -3.096 1.00 0.00 C ATOM 676 CE3 TRP A 43 4.862 -15.728 -5.259 1.00 0.00 C ATOM 677 CZ2 TRP A 43 6.706 -14.709 -3.400 1.00 0.00 C ATOM 678 CZ3 TRP A 43 5.630 -14.594 -5.567 1.00 0.00 C ATOM 679 CH2 TRP A 43 6.549 -14.085 -4.640 1.00 0.00 C ATOM 0 H TRP A 43 2.085 -20.427 -4.801 1.00 0.00 H new ATOM 0 HA TRP A 43 4.220 -18.900 -5.891 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.565 -17.833 -4.502 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.813 -18.968 -3.191 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.671 -18.443 -1.472 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.407 -16.555 -1.147 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.156 -16.110 -5.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.414 -14.322 -2.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.512 -14.110 -6.525 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.135 -13.211 -4.884 1.00 0.00 H new ATOM 690 N ARG A 44 5.083 -20.812 -3.327 1.00 0.00 N ATOM 691 CA ARG A 44 6.280 -21.416 -2.679 1.00 0.00 C ATOM 692 C ARG A 44 6.691 -22.685 -3.430 1.00 0.00 C ATOM 693 O ARG A 44 7.534 -23.436 -2.981 1.00 0.00 O ATOM 694 CB ARG A 44 5.950 -21.773 -1.227 1.00 0.00 C ATOM 695 CG ARG A 44 6.842 -20.964 -0.282 1.00 0.00 C ATOM 696 CD ARG A 44 6.579 -21.395 1.164 1.00 0.00 C ATOM 697 NE ARG A 44 6.153 -20.214 1.967 1.00 0.00 N ATOM 698 CZ ARG A 44 6.662 -20.012 3.152 1.00 0.00 C ATOM 699 NH1 ARG A 44 7.158 -21.012 3.829 1.00 0.00 N ATOM 700 NH2 ARG A 44 6.675 -18.810 3.660 1.00 0.00 N ATOM 0 H ARG A 44 4.188 -21.071 -2.912 1.00 0.00 H new ATOM 0 HA ARG A 44 7.100 -20.699 -2.704 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.900 -21.564 -1.020 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.101 -22.840 -1.061 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.891 -21.119 -0.534 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.641 -19.899 -0.397 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.806 -22.163 1.190 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.480 -21.834 1.593 1.00 0.00 H new ATOM 0 HE ARG A 44 5.464 -19.563 1.591 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.148 -21.952 3.432 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.556 -20.854 4.755 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.287 -18.029 3.131 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.073 -18.652 4.586 1.00 0.00 H new ATOM 714 N ALA A 45 6.098 -22.940 -4.565 1.00 0.00 N ATOM 715 CA ALA A 45 6.455 -24.169 -5.328 1.00 0.00 C ATOM 716 C ALA A 45 6.891 -23.800 -6.749 1.00 0.00 C ATOM 717 O ALA A 45 7.182 -24.660 -7.556 1.00 0.00 O ATOM 718 CB ALA A 45 5.233 -25.084 -5.396 1.00 0.00 C ATOM 0 H ALA A 45 5.384 -22.352 -4.995 1.00 0.00 H new ATOM 0 HA ALA A 45 7.278 -24.678 -4.826 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.485 -25.987 -5.953 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.925 -25.355 -4.386 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.417 -24.564 -5.898 1.00 0.00 H new ATOM 724 N MET A 46 6.933 -22.535 -7.069 1.00 0.00 N ATOM 725 CA MET A 46 7.342 -22.131 -8.432 1.00 0.00 C ATOM 726 C MET A 46 8.874 -22.111 -8.519 1.00 0.00 C ATOM 727 O MET A 46 9.518 -23.138 -8.444 1.00 0.00 O ATOM 728 CB MET A 46 6.760 -20.749 -8.715 1.00 0.00 C ATOM 729 CG MET A 46 7.036 -19.839 -7.525 1.00 0.00 C ATOM 730 SD MET A 46 7.486 -18.188 -8.115 1.00 0.00 S ATOM 731 CE MET A 46 6.280 -17.264 -7.133 1.00 0.00 C ATOM 0 H MET A 46 6.700 -21.767 -6.440 1.00 0.00 H new ATOM 0 HA MET A 46 6.970 -22.837 -9.175 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.204 -20.332 -9.619 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.687 -20.822 -8.892 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.154 -19.780 -6.887 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.842 -20.252 -6.918 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.243 -16.231 -7.480 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.296 -17.719 -7.243 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.574 -17.284 -6.084 1.00 0.00 H new ATOM 741 N LYS A 47 9.466 -20.960 -8.684 1.00 0.00 N ATOM 742 CA LYS A 47 10.943 -20.886 -8.780 1.00 0.00 C ATOM 743 C LYS A 47 11.506 -20.235 -7.515 1.00 0.00 C ATOM 744 O LYS A 47 11.940 -20.904 -6.599 1.00 0.00 O ATOM 745 CB LYS A 47 11.296 -20.033 -9.989 1.00 0.00 C ATOM 746 CG LYS A 47 11.790 -20.932 -11.124 1.00 0.00 C ATOM 747 CD LYS A 47 10.591 -21.455 -11.917 1.00 0.00 C ATOM 748 CE LYS A 47 11.082 -22.383 -13.029 1.00 0.00 C ATOM 749 NZ LYS A 47 11.974 -23.425 -12.448 1.00 0.00 N ATOM 0 H LYS A 47 8.983 -20.065 -8.756 1.00 0.00 H new ATOM 0 HA LYS A 47 11.366 -21.885 -8.883 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.424 -19.466 -10.314 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.066 -19.309 -9.724 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.458 -20.374 -11.780 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.364 -21.766 -10.719 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.910 -21.991 -11.256 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.032 -20.622 -12.344 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.233 -22.852 -13.527 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.619 -21.810 -13.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.866 -24.311 -12.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.962 -23.106 -12.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.717 -23.586 -11.453 1.00 0.00 H new ATOM 763 N ASP A 48 11.498 -18.931 -7.464 1.00 0.00 N ATOM 764 CA ASP A 48 12.029 -18.225 -6.265 1.00 0.00 C ATOM 765 C ASP A 48 11.112 -17.049 -5.921 1.00 0.00 C ATOM 766 O ASP A 48 10.045 -16.895 -6.482 1.00 0.00 O ATOM 767 CB ASP A 48 13.436 -17.703 -6.566 1.00 0.00 C ATOM 768 CG ASP A 48 14.414 -18.875 -6.639 1.00 0.00 C ATOM 769 OD1 ASP A 48 14.150 -19.796 -7.397 1.00 0.00 O ATOM 770 OD2 ASP A 48 15.411 -18.834 -5.938 1.00 0.00 O ATOM 0 H ASP A 48 11.146 -18.323 -8.203 1.00 0.00 H new ATOM 0 HA ASP A 48 12.069 -18.915 -5.422 1.00 0.00 H new ATOM 0 HB2 ASP A 48 13.438 -17.156 -7.509 1.00 0.00 H new ATOM 0 HB3 ASP A 48 13.749 -17.003 -5.791 1.00 0.00 H new ATOM 775 N LYS A 49 11.521 -16.215 -5.006 1.00 0.00 N ATOM 776 CA LYS A 49 10.674 -15.048 -4.630 1.00 0.00 C ATOM 777 C LYS A 49 11.413 -13.755 -4.970 1.00 0.00 C ATOM 778 O LYS A 49 10.814 -12.710 -5.132 1.00 0.00 O ATOM 779 CB LYS A 49 10.387 -15.090 -3.129 1.00 0.00 C ATOM 780 CG LYS A 49 9.684 -16.403 -2.780 1.00 0.00 C ATOM 781 CD LYS A 49 9.527 -16.509 -1.262 1.00 0.00 C ATOM 782 CE LYS A 49 10.509 -17.547 -0.715 1.00 0.00 C ATOM 783 NZ LYS A 49 9.878 -18.897 -0.743 1.00 0.00 N ATOM 0 H LYS A 49 12.405 -16.291 -4.502 1.00 0.00 H new ATOM 0 HA LYS A 49 9.734 -15.087 -5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.317 -15.003 -2.568 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.762 -14.244 -2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.707 -16.444 -3.261 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.260 -17.248 -3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.711 -15.540 -0.799 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.505 -16.793 -1.011 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.421 -17.549 -1.311 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.795 -17.289 0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.547 -19.601 -0.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.020 -18.891 -0.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.626 -19.142 -1.722 1.00 0.00 H new ATOM 797 N SER A 50 12.712 -13.816 -5.079 1.00 0.00 N ATOM 798 CA SER A 50 13.491 -12.589 -5.409 1.00 0.00 C ATOM 799 C SER A 50 13.033 -12.039 -6.762 1.00 0.00 C ATOM 800 O SER A 50 13.325 -10.913 -7.116 1.00 0.00 O ATOM 801 CB SER A 50 14.979 -12.935 -5.475 1.00 0.00 C ATOM 802 OG SER A 50 15.628 -12.433 -4.315 1.00 0.00 O ATOM 0 H SER A 50 13.267 -14.662 -4.954 1.00 0.00 H new ATOM 0 HA SER A 50 13.326 -11.836 -4.639 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.111 -14.015 -5.541 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.425 -12.504 -6.371 1.00 0.00 H new ATOM 0 HG SER A 50 16.582 -12.654 -4.352 1.00 0.00 H new ATOM 808 N GLU A 51 12.308 -12.821 -7.517 1.00 0.00 N ATOM 809 CA GLU A 51 11.825 -12.345 -8.837 1.00 0.00 C ATOM 810 C GLU A 51 10.849 -11.192 -8.634 1.00 0.00 C ATOM 811 O GLU A 51 11.126 -10.060 -8.979 1.00 0.00 O ATOM 812 CB GLU A 51 11.129 -13.484 -9.547 1.00 0.00 C ATOM 813 CG GLU A 51 11.871 -14.794 -9.280 1.00 0.00 C ATOM 814 CD GLU A 51 11.996 -15.588 -10.582 1.00 0.00 C ATOM 815 OE1 GLU A 51 10.970 -15.985 -11.110 1.00 0.00 O ATOM 816 OE2 GLU A 51 13.114 -15.784 -11.029 1.00 0.00 O ATOM 0 H GLU A 51 12.031 -13.771 -7.272 1.00 0.00 H new ATOM 0 HA GLU A 51 12.667 -12.000 -9.438 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.098 -13.563 -9.202 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.093 -13.288 -10.619 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.860 -14.587 -8.872 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.336 -15.381 -8.534 1.00 0.00 H new ATOM 823 N TRP A 52 9.709 -11.468 -8.068 1.00 0.00 N ATOM 824 CA TRP A 52 8.716 -10.390 -7.833 1.00 0.00 C ATOM 825 C TRP A 52 9.270 -9.416 -6.815 1.00 0.00 C ATOM 826 O TRP A 52 9.211 -8.228 -6.998 1.00 0.00 O ATOM 827 CB TRP A 52 7.439 -10.990 -7.278 1.00 0.00 C ATOM 828 CG TRP A 52 7.042 -12.138 -8.106 1.00 0.00 C ATOM 829 CD1 TRP A 52 7.324 -13.401 -7.811 1.00 0.00 C ATOM 830 CD2 TRP A 52 6.294 -12.148 -9.342 1.00 0.00 C ATOM 831 NE1 TRP A 52 6.800 -14.218 -8.793 1.00 0.00 N ATOM 832 CE2 TRP A 52 6.146 -13.484 -9.765 1.00 0.00 C ATOM 833 CE3 TRP A 52 5.736 -11.133 -10.123 1.00 0.00 C ATOM 834 CZ2 TRP A 52 5.459 -13.804 -10.936 1.00 0.00 C ATOM 835 CZ3 TRP A 52 5.045 -11.442 -11.296 1.00 0.00 C ATOM 836 CH2 TRP A 52 4.902 -12.777 -11.705 1.00 0.00 C ATOM 0 H TRP A 52 9.423 -12.397 -7.758 1.00 0.00 H new ATOM 0 HA TRP A 52 8.510 -9.879 -8.773 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.591 -11.306 -6.246 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.646 -10.242 -7.269 1.00 0.00 H new ATOM 0 HD1 TRP A 52 7.874 -13.735 -6.944 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.885 -15.234 -8.800 1.00 0.00 H new ATOM 0 HE3 TRP A 52 5.840 -10.102 -9.817 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.358 -14.834 -11.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 4.618 -10.649 -11.892 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.363 -13.011 -12.611 1.00 0.00 H new ATOM 847 N GLU A 53 9.792 -9.919 -5.733 1.00 0.00 N ATOM 848 CA GLU A 53 10.344 -9.016 -4.679 1.00 0.00 C ATOM 849 C GLU A 53 11.079 -7.843 -5.331 1.00 0.00 C ATOM 850 O GLU A 53 10.631 -6.714 -5.274 1.00 0.00 O ATOM 851 CB GLU A 53 11.314 -9.795 -3.790 1.00 0.00 C ATOM 852 CG GLU A 53 10.527 -10.581 -2.740 1.00 0.00 C ATOM 853 CD GLU A 53 11.495 -11.406 -1.890 1.00 0.00 C ATOM 854 OE1 GLU A 53 12.086 -10.841 -0.982 1.00 0.00 O ATOM 855 OE2 GLU A 53 11.631 -12.588 -2.159 1.00 0.00 O ATOM 0 H GLU A 53 9.862 -10.916 -5.530 1.00 0.00 H new ATOM 0 HA GLU A 53 9.523 -8.633 -4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.912 -10.476 -4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 53 12.007 -9.110 -3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.962 -9.897 -2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.804 -11.236 -3.227 1.00 0.00 H new ATOM 862 N ALA A 54 12.197 -8.091 -5.954 1.00 0.00 N ATOM 863 CA ALA A 54 12.938 -6.975 -6.606 1.00 0.00 C ATOM 864 C ALA A 54 12.025 -6.298 -7.629 1.00 0.00 C ATOM 865 O ALA A 54 12.142 -5.121 -7.902 1.00 0.00 O ATOM 866 CB ALA A 54 14.178 -7.525 -7.313 1.00 0.00 C ATOM 0 H ALA A 54 12.628 -9.012 -6.040 1.00 0.00 H new ATOM 0 HA ALA A 54 13.247 -6.251 -5.852 1.00 0.00 H new ATOM 0 HB1 ALA A 54 14.718 -6.707 -7.789 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.826 -8.012 -6.585 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.875 -8.248 -8.070 1.00 0.00 H new ATOM 872 N LYS A 55 11.118 -7.042 -8.199 1.00 0.00 N ATOM 873 CA LYS A 55 10.189 -6.465 -9.211 1.00 0.00 C ATOM 874 C LYS A 55 9.324 -5.373 -8.579 1.00 0.00 C ATOM 875 O LYS A 55 8.967 -4.405 -9.219 1.00 0.00 O ATOM 876 CB LYS A 55 9.277 -7.569 -9.737 1.00 0.00 C ATOM 877 CG LYS A 55 8.619 -7.113 -11.042 1.00 0.00 C ATOM 878 CD LYS A 55 7.629 -8.178 -11.517 1.00 0.00 C ATOM 879 CE LYS A 55 6.881 -7.670 -12.752 1.00 0.00 C ATOM 880 NZ LYS A 55 6.299 -8.826 -13.492 1.00 0.00 N ATOM 0 H LYS A 55 10.980 -8.034 -8.005 1.00 0.00 H new ATOM 0 HA LYS A 55 10.775 -6.034 -10.023 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.852 -8.480 -9.906 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.513 -7.807 -8.997 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.103 -6.165 -10.889 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.379 -6.943 -11.804 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.158 -9.101 -11.754 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.921 -8.412 -10.722 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.091 -6.981 -12.454 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.560 -7.115 -13.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.499 -8.500 -14.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.025 -9.245 -14.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.966 -9.541 -12.814 1.00 0.00 H new ATOM 894 N ALA A 56 8.970 -5.527 -7.335 1.00 0.00 N ATOM 895 CA ALA A 56 8.115 -4.505 -6.679 1.00 0.00 C ATOM 896 C ALA A 56 8.890 -3.193 -6.561 1.00 0.00 C ATOM 897 O ALA A 56 8.316 -2.128 -6.445 1.00 0.00 O ATOM 898 CB ALA A 56 7.715 -4.994 -5.286 1.00 0.00 C ATOM 0 H ALA A 56 9.236 -6.316 -6.746 1.00 0.00 H new ATOM 0 HA ALA A 56 7.218 -4.342 -7.276 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.087 -4.245 -4.804 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.162 -5.929 -5.374 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.611 -5.157 -4.687 1.00 0.00 H new ATOM 904 N ALA A 57 10.193 -3.259 -6.589 1.00 0.00 N ATOM 905 CA ALA A 57 11.006 -2.016 -6.476 1.00 0.00 C ATOM 906 C ALA A 57 10.824 -1.170 -7.736 1.00 0.00 C ATOM 907 O ALA A 57 10.474 -0.008 -7.672 1.00 0.00 O ATOM 908 CB ALA A 57 12.483 -2.381 -6.323 1.00 0.00 C ATOM 0 H ALA A 57 10.730 -4.121 -6.685 1.00 0.00 H new ATOM 0 HA ALA A 57 10.678 -1.450 -5.604 1.00 0.00 H new ATOM 0 HB1 ALA A 57 13.076 -1.470 -6.241 1.00 0.00 H new ATOM 0 HB2 ALA A 57 12.618 -2.984 -5.425 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.810 -2.949 -7.194 1.00 0.00 H new ATOM 914 N LYS A 58 11.062 -1.740 -8.885 1.00 0.00 N ATOM 915 CA LYS A 58 10.902 -0.963 -10.143 1.00 0.00 C ATOM 916 C LYS A 58 9.522 -0.308 -10.156 1.00 0.00 C ATOM 917 O LYS A 58 9.386 0.853 -10.482 1.00 0.00 O ATOM 918 CB LYS A 58 11.047 -1.894 -11.348 1.00 0.00 C ATOM 919 CG LYS A 58 12.429 -2.551 -11.318 1.00 0.00 C ATOM 920 CD LYS A 58 13.479 -1.551 -11.805 1.00 0.00 C ATOM 921 CE LYS A 58 14.465 -1.253 -10.674 1.00 0.00 C ATOM 922 NZ LYS A 58 15.803 -0.933 -11.248 1.00 0.00 N ATOM 0 H LYS A 58 11.360 -2.708 -9.006 1.00 0.00 H new ATOM 0 HA LYS A 58 11.671 -0.192 -10.197 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.269 -2.657 -11.328 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.919 -1.332 -12.273 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.666 -2.879 -10.306 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.435 -3.439 -11.951 1.00 0.00 H new ATOM 0 HD2 LYS A 58 14.010 -1.956 -12.667 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.995 -0.630 -12.132 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.105 -0.416 -10.076 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.540 -2.112 -10.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 16.472 -0.731 -10.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.147 -1.744 -11.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.725 -0.101 -11.867 1.00 0.00 H new ATOM 936 N ALA A 59 8.495 -1.027 -9.790 1.00 0.00 N ATOM 937 CA ALA A 59 7.146 -0.404 -9.773 1.00 0.00 C ATOM 938 C ALA A 59 7.158 0.719 -8.751 1.00 0.00 C ATOM 939 O ALA A 59 6.519 1.728 -8.921 1.00 0.00 O ATOM 940 CB ALA A 59 6.083 -1.431 -9.369 1.00 0.00 C ATOM 0 H ALA A 59 8.533 -2.006 -9.506 1.00 0.00 H new ATOM 0 HA ALA A 59 6.907 -0.028 -10.768 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.102 -0.956 -9.362 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.083 -2.254 -10.083 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.307 -1.814 -8.374 1.00 0.00 H new ATOM 946 N LYS A 60 7.890 0.544 -7.689 1.00 0.00 N ATOM 947 CA LYS A 60 7.961 1.584 -6.642 1.00 0.00 C ATOM 948 C LYS A 60 8.415 2.898 -7.254 1.00 0.00 C ATOM 949 O LYS A 60 7.772 3.909 -7.111 1.00 0.00 O ATOM 950 CB LYS A 60 8.979 1.139 -5.608 1.00 0.00 C ATOM 951 CG LYS A 60 8.391 1.285 -4.205 1.00 0.00 C ATOM 952 CD LYS A 60 7.520 0.068 -3.892 1.00 0.00 C ATOM 953 CE LYS A 60 7.568 -0.224 -2.392 1.00 0.00 C ATOM 954 NZ LYS A 60 6.307 -0.902 -1.980 1.00 0.00 N ATOM 0 H LYS A 60 8.448 -0.289 -7.504 1.00 0.00 H new ATOM 0 HA LYS A 60 6.982 1.724 -6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.263 0.102 -5.787 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.886 1.737 -5.696 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.191 1.372 -3.470 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.798 2.197 -4.140 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.492 0.254 -4.204 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.872 -0.798 -4.453 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.426 -0.855 -2.160 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.695 0.703 -1.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.345 -1.117 -0.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.498 -0.277 -2.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.197 -1.786 -2.517 1.00 0.00 H new ATOM 968 N ASP A 61 9.529 2.895 -7.916 1.00 0.00 N ATOM 969 CA ASP A 61 10.024 4.164 -8.520 1.00 0.00 C ATOM 970 C ASP A 61 9.032 4.664 -9.573 1.00 0.00 C ATOM 971 O ASP A 61 8.637 5.813 -9.567 1.00 0.00 O ATOM 972 CB ASP A 61 11.391 3.926 -9.169 1.00 0.00 C ATOM 973 CG ASP A 61 12.490 4.045 -8.111 1.00 0.00 C ATOM 974 OD1 ASP A 61 12.655 5.130 -7.578 1.00 0.00 O ATOM 975 OD2 ASP A 61 13.147 3.051 -7.853 1.00 0.00 O ATOM 0 H ASP A 61 10.119 2.077 -8.068 1.00 0.00 H new ATOM 0 HA ASP A 61 10.121 4.917 -7.738 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.420 2.938 -9.628 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.558 4.652 -9.965 1.00 0.00 H new ATOM 980 N ASP A 62 8.624 3.818 -10.474 1.00 0.00 N ATOM 981 CA ASP A 62 7.658 4.253 -11.522 1.00 0.00 C ATOM 982 C ASP A 62 6.283 4.470 -10.892 1.00 0.00 C ATOM 983 O ASP A 62 5.354 4.915 -11.536 1.00 0.00 O ATOM 984 CB ASP A 62 7.548 3.159 -12.578 1.00 0.00 C ATOM 985 CG ASP A 62 8.749 3.239 -13.521 1.00 0.00 C ATOM 986 OD1 ASP A 62 9.650 4.011 -13.237 1.00 0.00 O ATOM 987 OD2 ASP A 62 8.748 2.526 -14.512 1.00 0.00 O ATOM 0 H ASP A 62 8.917 2.843 -10.532 1.00 0.00 H new ATOM 0 HA ASP A 62 8.005 5.182 -11.975 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.512 2.180 -12.100 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.622 3.274 -13.141 1.00 0.00 H new ATOM 992 N TYR A 63 6.142 4.127 -9.646 1.00 0.00 N ATOM 993 CA TYR A 63 4.829 4.273 -8.967 1.00 0.00 C ATOM 994 C TYR A 63 4.735 5.615 -8.231 1.00 0.00 C ATOM 995 O TYR A 63 3.756 6.314 -8.338 1.00 0.00 O ATOM 996 CB TYR A 63 4.691 3.130 -7.977 1.00 0.00 C ATOM 997 CG TYR A 63 3.548 3.388 -7.055 1.00 0.00 C ATOM 998 CD1 TYR A 63 2.253 3.465 -7.563 1.00 0.00 C ATOM 999 CD2 TYR A 63 3.783 3.513 -5.691 1.00 0.00 C ATOM 1000 CE1 TYR A 63 1.181 3.678 -6.701 1.00 0.00 C ATOM 1001 CE2 TYR A 63 2.714 3.718 -4.818 1.00 0.00 C ATOM 1002 CZ TYR A 63 1.407 3.804 -5.321 1.00 0.00 C ATOM 1003 OH TYR A 63 0.347 4.006 -4.462 1.00 0.00 O ATOM 0 H TYR A 63 6.888 3.748 -9.063 1.00 0.00 H new ATOM 0 HA TYR A 63 4.028 4.247 -9.706 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.534 2.193 -8.511 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.612 3.020 -7.405 1.00 0.00 H new ATOM 0 HD1 TYR A 63 2.081 3.360 -8.624 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.791 3.452 -5.308 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.177 3.746 -7.093 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.892 3.810 -3.757 1.00 0.00 H new ATOM 0 HH TYR A 63 0.679 4.070 -3.542 1.00 0.00 H new ATOM 1013 N ASP A 64 5.728 5.979 -7.478 1.00 0.00 N ATOM 1014 CA ASP A 64 5.661 7.270 -6.748 1.00 0.00 C ATOM 1015 C ASP A 64 5.770 8.412 -7.744 1.00 0.00 C ATOM 1016 O ASP A 64 5.281 9.502 -7.527 1.00 0.00 O ATOM 1017 CB ASP A 64 6.810 7.343 -5.770 1.00 0.00 C ATOM 1018 CG ASP A 64 6.409 8.194 -4.565 1.00 0.00 C ATOM 1019 OD1 ASP A 64 5.688 7.689 -3.722 1.00 0.00 O ATOM 1020 OD2 ASP A 64 6.830 9.339 -4.506 1.00 0.00 O ATOM 0 H ASP A 64 6.582 5.440 -7.336 1.00 0.00 H new ATOM 0 HA ASP A 64 4.716 7.345 -6.210 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.086 6.340 -5.443 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.686 7.773 -6.255 1.00 0.00 H new ATOM 1025 N ARG A 65 6.432 8.162 -8.834 1.00 0.00 N ATOM 1026 CA ARG A 65 6.609 9.222 -9.859 1.00 0.00 C ATOM 1027 C ARG A 65 5.412 9.257 -10.819 1.00 0.00 C ATOM 1028 O ARG A 65 4.977 10.310 -11.241 1.00 0.00 O ATOM 1029 CB ARG A 65 7.889 8.949 -10.652 1.00 0.00 C ATOM 1030 CG ARG A 65 9.068 8.808 -9.687 1.00 0.00 C ATOM 1031 CD ARG A 65 10.374 8.750 -10.480 1.00 0.00 C ATOM 1032 NE ARG A 65 11.131 10.019 -10.287 1.00 0.00 N ATOM 1033 CZ ARG A 65 12.093 10.339 -11.110 1.00 0.00 C ATOM 1034 NH1 ARG A 65 13.017 9.466 -11.405 1.00 0.00 N ATOM 1035 NH2 ARG A 65 12.131 11.531 -11.638 1.00 0.00 N ATOM 0 H ARG A 65 6.860 7.265 -9.061 1.00 0.00 H new ATOM 0 HA ARG A 65 6.678 10.186 -9.356 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.777 8.039 -11.241 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.075 9.762 -11.354 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.088 9.650 -8.995 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.954 7.905 -9.087 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.975 7.902 -10.150 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.162 8.598 -11.538 1.00 0.00 H new ATOM 0 HE ARG A 65 10.897 10.638 -9.511 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.988 8.533 -10.993 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.768 9.716 -12.048 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.409 12.214 -11.408 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.883 11.780 -12.281 1.00 0.00 H new