USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 648 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 70 HIS : no HD1:sc= -0.383 X(o=-0.38,f=0.091) USER MOD Set 1.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 45 ASN : amide:sc= 1.1 K(o=0.47,f=-4!) USER MOD Set 2.2: A 48 THR OG1 : rot 170:sc= -0.629 USER MOD Set 3.1: A 20 TYR OH : rot 165:sc= -0.0685 USER MOD Set 3.2: A 21 MET CE :methyl -126:sc= -4.6! (180deg=-10.9!) USER MOD Set 3.3: A 84 LYS NZ :NH3+ -156:sc= 0.0275 (180deg=-0.504) USER MOD Single : A 11 SER OG : rot -120:sc= -0.985 USER MOD Single : A 14 MET CE :methyl -157:sc= 0 (180deg=-0.0277) USER MOD Single : A 24 ASN : amide:sc= -0.247 X(o=-0.25,f=-0.25) USER MOD Single : A 27 SER OG : rot 100:sc= 1.07 USER MOD Single : A 32 THR OG1 : rot 71:sc= 0.109 USER MOD Single : A 33 MET CE :methyl 176:sc= -2 (180deg=-2.02) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.0954 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.102 USER MOD Single : A 55 CYS SG : rot -120:sc= -1.64 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot -156:sc= -4.85! USER MOD Single : A 71 LYS NZ :NH3+ -133:sc= 0.635 (180deg=-0.949) USER MOD Single : A 73 ASN : amide:sc= -0.969 K(o=-0.97,f=-1.5!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 40:sc= 0.0328 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN :FLIP amide:sc= 0.343 F(o=-0.17,f=0.34) USER MOD ----------------------------------------------------------------- ATOM 83 N ALA A 9 8.460 3.391 -14.549 1.00 0.00 N ATOM 84 CA ALA A 9 7.564 4.538 -14.484 1.00 0.00 C ATOM 85 C ALA A 9 6.105 4.095 -14.456 1.00 0.00 C ATOM 86 O ALA A 9 5.345 4.485 -13.571 1.00 0.00 O ATOM 87 CB ALA A 9 7.812 5.469 -15.662 1.00 0.00 C ATOM 0 HA ALA A 9 7.771 5.077 -13.559 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.136 6.322 -15.601 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.843 5.821 -15.637 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.635 4.932 -16.594 1.00 0.00 H new ATOM 93 N ALA A 10 5.721 3.279 -15.433 1.00 0.00 N ATOM 94 CA ALA A 10 4.353 2.782 -15.519 1.00 0.00 C ATOM 95 C ALA A 10 4.170 1.529 -14.670 1.00 0.00 C ATOM 96 O ALA A 10 3.351 0.667 -14.988 1.00 0.00 O ATOM 97 CB ALA A 10 3.985 2.499 -16.968 1.00 0.00 C ATOM 0 H ALA A 10 6.338 2.949 -16.175 1.00 0.00 H new ATOM 0 HA ALA A 10 3.687 3.553 -15.130 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.961 2.129 -17.018 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.067 3.417 -17.550 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.662 1.749 -17.376 1.00 0.00 H new ATOM 103 N SER A 11 4.939 1.433 -13.590 1.00 0.00 N ATOM 104 CA SER A 11 4.864 0.282 -12.698 1.00 0.00 C ATOM 105 C SER A 11 4.498 0.716 -11.281 1.00 0.00 C ATOM 106 O SER A 11 4.513 1.905 -10.960 1.00 0.00 O ATOM 107 CB SER A 11 6.198 -0.467 -12.685 1.00 0.00 C ATOM 108 OG SER A 11 6.428 -1.120 -13.922 1.00 0.00 O ATOM 0 H SER A 11 5.621 2.138 -13.312 1.00 0.00 H new ATOM 0 HA SER A 11 4.085 -0.384 -13.069 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.009 0.232 -12.483 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.200 -1.199 -11.878 1.00 0.00 H new ATOM 0 HG SER A 11 6.516 -2.084 -13.771 1.00 0.00 H new ATOM 114 N LEU A 12 4.170 -0.257 -10.438 1.00 0.00 N ATOM 115 CA LEU A 12 3.800 0.022 -9.055 1.00 0.00 C ATOM 116 C LEU A 12 4.543 -0.902 -8.096 1.00 0.00 C ATOM 117 O LEU A 12 5.006 -1.974 -8.485 1.00 0.00 O ATOM 118 CB LEU A 12 2.290 -0.138 -8.869 1.00 0.00 C ATOM 119 CG LEU A 12 1.408 0.781 -9.715 1.00 0.00 C ATOM 120 CD1 LEU A 12 -0.008 0.234 -9.798 1.00 0.00 C ATOM 121 CD2 LEU A 12 1.405 2.191 -9.144 1.00 0.00 C ATOM 0 H LEU A 12 4.153 -1.246 -10.688 1.00 0.00 H new ATOM 0 HA LEU A 12 4.081 1.051 -8.829 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.024 -1.171 -9.093 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.054 0.031 -7.818 1.00 0.00 H new ATOM 0 HG LEU A 12 1.819 0.820 -10.724 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.621 0.901 -10.404 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.010 -0.756 -10.254 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.430 0.164 -8.796 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.772 2.831 -9.759 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.019 2.170 -8.125 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.422 2.584 -9.139 1.00 0.00 H new ATOM 133 N TRP A 13 4.649 -0.481 -6.841 1.00 0.00 N ATOM 134 CA TRP A 13 5.334 -1.272 -5.825 1.00 0.00 C ATOM 135 C TRP A 13 4.335 -2.053 -4.978 1.00 0.00 C ATOM 136 O TRP A 13 3.260 -1.551 -4.651 1.00 0.00 O ATOM 137 CB TRP A 13 6.183 -0.367 -4.930 1.00 0.00 C ATOM 138 CG TRP A 13 6.506 -0.980 -3.601 1.00 0.00 C ATOM 139 CD1 TRP A 13 7.690 -1.550 -3.228 1.00 0.00 C ATOM 140 CD2 TRP A 13 5.634 -1.085 -2.471 1.00 0.00 C ATOM 141 NE1 TRP A 13 7.606 -2.004 -1.934 1.00 0.00 N ATOM 142 CE2 TRP A 13 6.355 -1.730 -1.447 1.00 0.00 C ATOM 143 CE3 TRP A 13 4.315 -0.696 -2.223 1.00 0.00 C ATOM 144 CZ2 TRP A 13 5.799 -1.994 -0.198 1.00 0.00 C ATOM 145 CZ3 TRP A 13 3.764 -0.959 -0.983 1.00 0.00 C ATOM 146 CH2 TRP A 13 4.506 -1.602 0.017 1.00 0.00 C ATOM 0 H TRP A 13 4.270 0.403 -6.502 1.00 0.00 H new ATOM 0 HA TRP A 13 5.986 -1.983 -6.333 1.00 0.00 H new ATOM 0 HB2 TRP A 13 7.112 -0.126 -5.446 1.00 0.00 H new ATOM 0 HB3 TRP A 13 5.654 0.573 -4.770 1.00 0.00 H new ATOM 0 HD1 TRP A 13 8.564 -1.632 -3.858 1.00 0.00 H new ATOM 0 HE1 TRP A 13 8.354 -2.469 -1.419 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.736 -0.198 -2.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.368 -2.491 0.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.745 -0.664 -0.781 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.048 -1.792 0.976 1.00 0.00 H new ATOM 157 N MET A 14 4.697 -3.282 -4.626 1.00 0.00 N ATOM 158 CA MET A 14 3.832 -4.131 -3.815 1.00 0.00 C ATOM 159 C MET A 14 4.640 -4.883 -2.762 1.00 0.00 C ATOM 160 O MET A 14 5.342 -5.844 -3.074 1.00 0.00 O ATOM 161 CB MET A 14 3.079 -5.123 -4.703 1.00 0.00 C ATOM 162 CG MET A 14 2.078 -5.980 -3.944 1.00 0.00 C ATOM 163 SD MET A 14 1.315 -7.241 -4.982 1.00 0.00 S ATOM 164 CE MET A 14 -0.300 -7.376 -4.218 1.00 0.00 C ATOM 0 H MET A 14 5.583 -3.712 -4.890 1.00 0.00 H new ATOM 0 HA MET A 14 3.111 -3.492 -3.305 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.555 -4.573 -5.485 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.799 -5.773 -5.199 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.580 -6.461 -3.105 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.301 -5.340 -3.526 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.732 -8.349 -4.450 1.00 0.00 H new ATOM 0 HE2 MET A 14 -0.201 -7.271 -3.138 1.00 0.00 H new ATOM 0 HE3 MET A 14 -0.951 -6.590 -4.601 1.00 0.00 H new ATOM 174 N GLY A 15 4.535 -4.439 -1.513 1.00 0.00 N ATOM 175 CA GLY A 15 5.261 -5.082 -0.434 1.00 0.00 C ATOM 176 C GLY A 15 4.387 -6.017 0.377 1.00 0.00 C ATOM 177 O GLY A 15 3.378 -6.520 -0.118 1.00 0.00 O ATOM 0 H GLY A 15 3.960 -3.646 -1.230 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.100 -5.642 -0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.679 -4.320 0.223 1.00 0.00 H new ATOM 181 N ASP A 16 4.774 -6.253 1.626 1.00 0.00 N ATOM 182 CA ASP A 16 4.019 -7.135 2.507 1.00 0.00 C ATOM 183 C ASP A 16 3.641 -8.427 1.789 1.00 0.00 C ATOM 184 O ASP A 16 2.535 -8.943 1.957 1.00 0.00 O ATOM 185 CB ASP A 16 2.758 -6.430 3.011 1.00 0.00 C ATOM 186 CG ASP A 16 1.912 -7.322 3.898 1.00 0.00 C ATOM 187 OD1 ASP A 16 2.489 -8.037 4.745 1.00 0.00 O ATOM 188 OD2 ASP A 16 0.673 -7.304 3.747 1.00 0.00 O ATOM 0 H ASP A 16 5.607 -5.845 2.051 1.00 0.00 H new ATOM 0 HA ASP A 16 4.652 -7.385 3.359 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.042 -5.536 3.565 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.164 -6.101 2.159 1.00 0.00 H new ATOM 193 N LEU A 17 4.566 -8.945 0.988 1.00 0.00 N ATOM 194 CA LEU A 17 4.329 -10.177 0.243 1.00 0.00 C ATOM 195 C LEU A 17 4.867 -11.385 1.003 1.00 0.00 C ATOM 196 O LEU A 17 5.719 -11.248 1.880 1.00 0.00 O ATOM 197 CB LEU A 17 4.985 -10.095 -1.137 1.00 0.00 C ATOM 198 CG LEU A 17 4.593 -8.893 -1.996 1.00 0.00 C ATOM 199 CD1 LEU A 17 5.384 -8.884 -3.295 1.00 0.00 C ATOM 200 CD2 LEU A 17 3.098 -8.906 -2.280 1.00 0.00 C ATOM 0 H LEU A 17 5.486 -8.532 0.838 1.00 0.00 H new ATOM 0 HA LEU A 17 3.253 -10.298 0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.067 -10.083 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.742 -11.004 -1.687 1.00 0.00 H new ATOM 0 HG LEU A 17 4.830 -7.983 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.091 -8.021 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.449 -8.826 -3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.179 -9.798 -3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.837 -8.043 -2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.837 -9.821 -2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.549 -8.863 -1.340 1.00 0.00 H new ATOM 212 N GLU A 18 4.364 -12.566 0.659 1.00 0.00 N ATOM 213 CA GLU A 18 4.796 -13.798 1.309 1.00 0.00 C ATOM 214 C GLU A 18 5.913 -14.470 0.515 1.00 0.00 C ATOM 215 O GLU A 18 6.059 -14.269 -0.690 1.00 0.00 O ATOM 216 CB GLU A 18 3.616 -14.760 1.464 1.00 0.00 C ATOM 217 CG GLU A 18 2.810 -14.536 2.733 1.00 0.00 C ATOM 218 CD GLU A 18 3.557 -14.965 3.981 1.00 0.00 C ATOM 219 OE1 GLU A 18 4.525 -14.274 4.360 1.00 0.00 O ATOM 220 OE2 GLU A 18 3.172 -15.992 4.578 1.00 0.00 O ATOM 0 H GLU A 18 3.658 -12.696 -0.065 1.00 0.00 H new ATOM 0 HA GLU A 18 5.179 -13.542 2.297 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.957 -14.655 0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.990 -15.784 1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.552 -13.480 2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.873 -15.089 2.666 1.00 0.00 H new ATOM 227 N PRO A 19 6.721 -15.286 1.207 1.00 0.00 N ATOM 228 CA PRO A 19 7.839 -16.004 0.588 1.00 0.00 C ATOM 229 C PRO A 19 7.369 -17.107 -0.354 1.00 0.00 C ATOM 230 O PRO A 19 8.146 -17.623 -1.158 1.00 0.00 O ATOM 231 CB PRO A 19 8.582 -16.604 1.785 1.00 0.00 C ATOM 232 CG PRO A 19 7.547 -16.726 2.850 1.00 0.00 C ATOM 233 CD PRO A 19 6.605 -15.572 2.647 1.00 0.00 C ATOM 0 HA PRO A 19 8.454 -15.347 -0.027 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.012 -17.575 1.538 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.404 -15.963 2.103 1.00 0.00 H new ATOM 0 HG2 PRO A 19 7.020 -17.677 2.775 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.000 -16.690 3.841 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.584 -15.834 2.924 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.888 -14.711 3.252 1.00 0.00 H new ATOM 241 N TYR A 20 6.094 -17.464 -0.250 1.00 0.00 N ATOM 242 CA TYR A 20 5.521 -18.507 -1.092 1.00 0.00 C ATOM 243 C TYR A 20 4.912 -17.913 -2.358 1.00 0.00 C ATOM 244 O TYR A 20 4.625 -18.628 -3.318 1.00 0.00 O ATOM 245 CB TYR A 20 4.457 -19.289 -0.319 1.00 0.00 C ATOM 246 CG TYR A 20 3.285 -18.442 0.122 1.00 0.00 C ATOM 247 CD1 TYR A 20 2.416 -17.884 -0.807 1.00 0.00 C ATOM 248 CD2 TYR A 20 3.046 -18.200 1.470 1.00 0.00 C ATOM 249 CE1 TYR A 20 1.344 -17.109 -0.408 1.00 0.00 C ATOM 250 CE2 TYR A 20 1.976 -17.427 1.878 1.00 0.00 C ATOM 251 CZ TYR A 20 1.129 -16.883 0.935 1.00 0.00 C ATOM 252 OH TYR A 20 0.062 -16.113 1.337 1.00 0.00 O ATOM 0 H TYR A 20 5.437 -17.046 0.409 1.00 0.00 H new ATOM 0 HA TYR A 20 6.323 -19.186 -1.381 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.091 -20.104 -0.944 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.917 -19.743 0.559 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.581 -18.059 -1.860 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.708 -18.623 2.211 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.678 -16.683 -1.144 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.804 -17.250 2.929 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.093 -16.244 2.296 1.00 0.00 H new ATOM 262 N MET A 21 4.717 -16.598 -2.352 1.00 0.00 N ATOM 263 CA MET A 21 4.143 -15.906 -3.500 1.00 0.00 C ATOM 264 C MET A 21 5.178 -15.744 -4.610 1.00 0.00 C ATOM 265 O MET A 21 6.335 -15.417 -4.349 1.00 0.00 O ATOM 266 CB MET A 21 3.609 -14.535 -3.082 1.00 0.00 C ATOM 267 CG MET A 21 2.344 -14.606 -2.242 1.00 0.00 C ATOM 268 SD MET A 21 1.639 -12.980 -1.909 1.00 0.00 S ATOM 269 CE MET A 21 0.200 -13.427 -0.941 1.00 0.00 C ATOM 0 H MET A 21 4.948 -15.991 -1.565 1.00 0.00 H new ATOM 0 HA MET A 21 3.318 -16.509 -3.880 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.380 -14.010 -2.519 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.409 -13.944 -3.976 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.605 -15.220 -2.757 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.567 -15.101 -1.297 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.691 -12.988 -1.389 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.098 -14.512 -0.920 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.316 -13.054 0.077 1.00 0.00 H new ATOM 279 N ASP A 22 4.752 -15.975 -5.847 1.00 0.00 N ATOM 280 CA ASP A 22 5.642 -15.855 -6.996 1.00 0.00 C ATOM 281 C ASP A 22 4.986 -15.041 -8.108 1.00 0.00 C ATOM 282 O ASP A 22 3.784 -14.781 -8.072 1.00 0.00 O ATOM 283 CB ASP A 22 6.025 -17.240 -7.519 1.00 0.00 C ATOM 284 CG ASP A 22 6.440 -18.184 -6.408 1.00 0.00 C ATOM 285 OD1 ASP A 22 7.062 -17.715 -5.432 1.00 0.00 O ATOM 286 OD2 ASP A 22 6.142 -19.392 -6.514 1.00 0.00 O ATOM 0 H ASP A 22 3.797 -16.246 -6.080 1.00 0.00 H new ATOM 0 HA ASP A 22 6.544 -15.336 -6.673 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.180 -17.668 -8.059 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.843 -17.142 -8.233 1.00 0.00 H new ATOM 291 N GLU A 23 5.785 -14.643 -9.093 1.00 0.00 N ATOM 292 CA GLU A 23 5.282 -13.857 -10.213 1.00 0.00 C ATOM 293 C GLU A 23 3.854 -14.264 -10.565 1.00 0.00 C ATOM 294 O GLU A 23 2.995 -13.416 -10.800 1.00 0.00 O ATOM 295 CB GLU A 23 6.188 -14.029 -11.434 1.00 0.00 C ATOM 296 CG GLU A 23 7.487 -13.246 -11.342 1.00 0.00 C ATOM 297 CD GLU A 23 8.377 -13.449 -12.552 1.00 0.00 C ATOM 298 OE1 GLU A 23 8.025 -12.942 -13.638 1.00 0.00 O ATOM 299 OE2 GLU A 23 9.426 -14.113 -12.415 1.00 0.00 O ATOM 0 H GLU A 23 6.782 -14.852 -9.138 1.00 0.00 H new ATOM 0 HA GLU A 23 5.280 -12.808 -9.916 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.419 -15.087 -11.558 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.646 -13.714 -12.326 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.261 -12.185 -11.236 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.026 -13.548 -10.444 1.00 0.00 H new ATOM 306 N ASN A 24 3.609 -15.570 -10.601 1.00 0.00 N ATOM 307 CA ASN A 24 2.286 -16.092 -10.925 1.00 0.00 C ATOM 308 C ASN A 24 1.253 -15.626 -9.904 1.00 0.00 C ATOM 309 O ASN A 24 0.279 -14.956 -10.251 1.00 0.00 O ATOM 310 CB ASN A 24 2.316 -17.620 -10.977 1.00 0.00 C ATOM 311 CG ASN A 24 3.604 -18.154 -11.573 1.00 0.00 C ATOM 312 OD1 ASN A 24 3.854 -18.008 -12.770 1.00 0.00 O ATOM 313 ND2 ASN A 24 4.430 -18.775 -10.739 1.00 0.00 N ATOM 0 H ASN A 24 4.309 -16.286 -10.410 1.00 0.00 H new ATOM 0 HA ASN A 24 2.001 -15.708 -11.905 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.193 -18.017 -9.969 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.471 -17.977 -11.566 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.312 -19.154 -11.083 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.182 -18.873 -9.754 1.00 0.00 H new ATOM 320 N PHE A 25 1.471 -15.985 -8.643 1.00 0.00 N ATOM 321 CA PHE A 25 0.559 -15.605 -7.571 1.00 0.00 C ATOM 322 C PHE A 25 0.195 -14.127 -7.665 1.00 0.00 C ATOM 323 O PHE A 25 -0.965 -13.774 -7.880 1.00 0.00 O ATOM 324 CB PHE A 25 1.188 -15.902 -6.208 1.00 0.00 C ATOM 325 CG PHE A 25 0.270 -15.629 -5.052 1.00 0.00 C ATOM 326 CD1 PHE A 25 -0.105 -14.332 -4.738 1.00 0.00 C ATOM 327 CD2 PHE A 25 -0.219 -16.669 -4.277 1.00 0.00 C ATOM 328 CE1 PHE A 25 -0.950 -14.077 -3.675 1.00 0.00 C ATOM 329 CE2 PHE A 25 -1.065 -16.420 -3.213 1.00 0.00 C ATOM 330 CZ PHE A 25 -1.430 -15.122 -2.911 1.00 0.00 C ATOM 0 H PHE A 25 2.272 -16.539 -8.339 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.353 -16.193 -7.678 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.495 -16.947 -6.179 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.090 -15.301 -6.095 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.268 -13.511 -5.332 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.064 -17.685 -4.507 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.235 -13.062 -3.442 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.441 -17.239 -2.618 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.090 -14.925 -2.079 1.00 0.00 H new ATOM 340 N ILE A 26 1.194 -13.266 -7.502 1.00 0.00 N ATOM 341 CA ILE A 26 0.980 -11.826 -7.569 1.00 0.00 C ATOM 342 C ILE A 26 0.079 -11.458 -8.742 1.00 0.00 C ATOM 343 O ILE A 26 -0.901 -10.730 -8.582 1.00 0.00 O ATOM 344 CB ILE A 26 2.312 -11.064 -7.701 1.00 0.00 C ATOM 345 CG1 ILE A 26 3.221 -11.371 -6.508 1.00 0.00 C ATOM 346 CG2 ILE A 26 2.058 -9.568 -7.809 1.00 0.00 C ATOM 347 CD1 ILE A 26 2.624 -10.974 -5.176 1.00 0.00 C ATOM 0 H ILE A 26 2.160 -13.541 -7.323 1.00 0.00 H new ATOM 0 HA ILE A 26 0.496 -11.536 -6.637 1.00 0.00 H new ATOM 0 HB ILE A 26 2.814 -11.394 -8.611 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.441 -12.438 -6.495 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.170 -10.851 -6.641 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.009 -9.043 -7.902 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.445 -9.366 -8.687 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.538 -9.222 -6.916 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.322 -11.221 -4.376 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.429 -9.902 -5.170 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.690 -11.513 -5.021 1.00 0.00 H new ATOM 359 N SER A 27 0.416 -11.968 -9.923 1.00 0.00 N ATOM 360 CA SER A 27 -0.362 -11.692 -11.125 1.00 0.00 C ATOM 361 C SER A 27 -1.836 -12.023 -10.907 1.00 0.00 C ATOM 362 O SER A 27 -2.717 -11.235 -11.249 1.00 0.00 O ATOM 363 CB SER A 27 0.183 -12.495 -12.307 1.00 0.00 C ATOM 364 OG SER A 27 1.575 -12.284 -12.469 1.00 0.00 O ATOM 0 H SER A 27 1.222 -12.574 -10.073 1.00 0.00 H new ATOM 0 HA SER A 27 -0.275 -10.628 -11.347 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.011 -13.556 -12.150 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.340 -12.207 -13.219 1.00 0.00 H new ATOM 0 HG SER A 27 2.067 -13.037 -12.081 1.00 0.00 H new ATOM 370 N ARG A 28 -2.094 -13.194 -10.335 1.00 0.00 N ATOM 371 CA ARG A 28 -3.460 -13.631 -10.071 1.00 0.00 C ATOM 372 C ARG A 28 -4.187 -12.632 -9.177 1.00 0.00 C ATOM 373 O ARG A 28 -5.323 -12.247 -9.455 1.00 0.00 O ATOM 374 CB ARG A 28 -3.458 -15.013 -9.414 1.00 0.00 C ATOM 375 CG ARG A 28 -3.505 -16.161 -10.409 1.00 0.00 C ATOM 376 CD ARG A 28 -2.133 -16.441 -11.002 1.00 0.00 C ATOM 377 NE ARG A 28 -2.220 -17.184 -12.256 1.00 0.00 N ATOM 378 CZ ARG A 28 -2.569 -18.464 -12.329 1.00 0.00 C ATOM 379 NH1 ARG A 28 -2.864 -19.138 -11.226 1.00 0.00 N ATOM 380 NH2 ARG A 28 -2.626 -19.072 -13.507 1.00 0.00 N ATOM 0 H ARG A 28 -1.375 -13.857 -10.045 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.987 -13.690 -11.024 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.563 -15.112 -8.800 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.315 -15.089 -8.744 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.879 -17.058 -9.914 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.206 -15.922 -11.209 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.613 -15.498 -11.174 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.537 -17.007 -10.286 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.001 -16.694 -13.123 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.823 -18.674 -10.319 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.132 -20.120 -11.285 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.402 -18.557 -14.358 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.894 -20.055 -13.561 1.00 0.00 H new ATOM 394 N ALA A 29 -3.526 -12.215 -8.103 1.00 0.00 N ATOM 395 CA ALA A 29 -4.109 -11.260 -7.169 1.00 0.00 C ATOM 396 C ALA A 29 -4.771 -10.103 -7.909 1.00 0.00 C ATOM 397 O ALA A 29 -5.903 -9.725 -7.606 1.00 0.00 O ATOM 398 CB ALA A 29 -3.045 -10.738 -6.215 1.00 0.00 C ATOM 0 H ALA A 29 -2.585 -12.524 -7.858 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.877 -11.776 -6.593 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.495 -10.026 -5.523 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.620 -11.570 -5.654 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.257 -10.244 -6.784 1.00 0.00 H new ATOM 404 N PHE A 30 -4.059 -9.544 -8.882 1.00 0.00 N ATOM 405 CA PHE A 30 -4.577 -8.428 -9.665 1.00 0.00 C ATOM 406 C PHE A 30 -5.752 -8.871 -10.531 1.00 0.00 C ATOM 407 O PHE A 30 -6.825 -8.269 -10.498 1.00 0.00 O ATOM 408 CB PHE A 30 -3.474 -7.838 -10.545 1.00 0.00 C ATOM 409 CG PHE A 30 -2.574 -6.880 -9.817 1.00 0.00 C ATOM 410 CD1 PHE A 30 -1.471 -7.341 -9.117 1.00 0.00 C ATOM 411 CD2 PHE A 30 -2.832 -5.519 -9.833 1.00 0.00 C ATOM 412 CE1 PHE A 30 -0.641 -6.462 -8.447 1.00 0.00 C ATOM 413 CE2 PHE A 30 -2.006 -4.635 -9.165 1.00 0.00 C ATOM 414 CZ PHE A 30 -0.910 -5.108 -8.470 1.00 0.00 C ATOM 0 H PHE A 30 -3.121 -9.846 -9.147 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.927 -7.663 -8.972 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.873 -8.650 -10.953 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.931 -7.324 -11.390 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.257 -8.399 -9.095 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.689 -5.144 -10.374 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.217 -6.834 -7.906 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.217 -3.576 -9.186 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.264 -4.420 -7.945 1.00 0.00 H new ATOM 424 N ALA A 31 -5.541 -9.929 -11.308 1.00 0.00 N ATOM 425 CA ALA A 31 -6.581 -10.455 -12.183 1.00 0.00 C ATOM 426 C ALA A 31 -7.890 -10.649 -11.424 1.00 0.00 C ATOM 427 O ALA A 31 -8.950 -10.211 -11.871 1.00 0.00 O ATOM 428 CB ALA A 31 -6.132 -11.767 -12.808 1.00 0.00 C ATOM 0 H ALA A 31 -4.658 -10.439 -11.349 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.755 -9.729 -12.977 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.919 -12.148 -13.459 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.227 -11.601 -13.392 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.928 -12.494 -12.022 1.00 0.00 H new ATOM 434 N THR A 32 -7.809 -11.311 -10.273 1.00 0.00 N ATOM 435 CA THR A 32 -8.987 -11.565 -9.454 1.00 0.00 C ATOM 436 C THR A 32 -9.719 -10.269 -9.126 1.00 0.00 C ATOM 437 O THR A 32 -10.946 -10.207 -9.182 1.00 0.00 O ATOM 438 CB THR A 32 -8.613 -12.277 -8.140 1.00 0.00 C ATOM 439 OG1 THR A 32 -8.001 -13.540 -8.423 1.00 0.00 O ATOM 440 CG2 THR A 32 -9.844 -12.488 -7.270 1.00 0.00 C ATOM 0 H THR A 32 -6.940 -11.680 -9.888 1.00 0.00 H new ATOM 0 HA THR A 32 -9.644 -12.212 -10.036 1.00 0.00 H new ATOM 0 HB THR A 32 -7.908 -11.646 -7.599 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.106 -13.394 -8.796 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.556 -12.992 -6.348 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.291 -11.523 -7.031 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.568 -13.100 -7.807 1.00 0.00 H new ATOM 448 N MET A 33 -8.957 -9.235 -8.784 1.00 0.00 N ATOM 449 CA MET A 33 -9.535 -7.938 -8.449 1.00 0.00 C ATOM 450 C MET A 33 -10.131 -7.273 -9.686 1.00 0.00 C ATOM 451 O MET A 33 -10.772 -6.227 -9.591 1.00 0.00 O ATOM 452 CB MET A 33 -8.474 -7.028 -7.828 1.00 0.00 C ATOM 453 CG MET A 33 -8.214 -7.314 -6.357 1.00 0.00 C ATOM 454 SD MET A 33 -9.712 -7.228 -5.358 1.00 0.00 S ATOM 455 CE MET A 33 -9.531 -5.608 -4.615 1.00 0.00 C ATOM 0 H MET A 33 -7.939 -9.270 -8.732 1.00 0.00 H new ATOM 0 HA MET A 33 -10.333 -8.100 -7.725 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.542 -7.140 -8.382 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.788 -5.990 -7.938 1.00 0.00 H new ATOM 0 HG2 MET A 33 -7.771 -8.305 -6.256 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.486 -6.599 -5.975 1.00 0.00 H new ATOM 0 HE1 MET A 33 -10.417 -5.378 -4.023 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.652 -5.599 -3.971 1.00 0.00 H new ATOM 0 HE3 MET A 33 -9.414 -4.859 -5.399 1.00 0.00 H new ATOM 465 N GLY A 34 -9.914 -7.886 -10.845 1.00 0.00 N ATOM 466 CA GLY A 34 -10.436 -7.338 -12.083 1.00 0.00 C ATOM 467 C GLY A 34 -9.460 -6.395 -12.757 1.00 0.00 C ATOM 468 O GLY A 34 -9.856 -5.356 -13.286 1.00 0.00 O ATOM 0 H GLY A 34 -9.386 -8.752 -10.949 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.677 -8.154 -12.764 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.366 -6.808 -11.878 1.00 0.00 H new ATOM 472 N GLU A 35 -8.181 -6.756 -12.737 1.00 0.00 N ATOM 473 CA GLU A 35 -7.145 -5.931 -13.348 1.00 0.00 C ATOM 474 C GLU A 35 -6.229 -6.774 -14.231 1.00 0.00 C ATOM 475 O GLU A 35 -5.936 -7.928 -13.919 1.00 0.00 O ATOM 476 CB GLU A 35 -6.322 -5.223 -12.270 1.00 0.00 C ATOM 477 CG GLU A 35 -7.000 -3.990 -11.698 1.00 0.00 C ATOM 478 CD GLU A 35 -7.273 -2.933 -12.752 1.00 0.00 C ATOM 479 OE1 GLU A 35 -6.683 -3.022 -13.849 1.00 0.00 O ATOM 480 OE2 GLU A 35 -8.078 -2.018 -12.479 1.00 0.00 O ATOM 0 H GLU A 35 -7.837 -7.614 -12.305 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.634 -5.182 -13.971 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.119 -5.924 -11.460 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.359 -4.935 -12.691 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.940 -4.281 -11.229 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.372 -3.564 -10.916 1.00 0.00 H new ATOM 487 N THR A 36 -5.781 -6.189 -15.338 1.00 0.00 N ATOM 488 CA THR A 36 -4.901 -6.885 -16.268 1.00 0.00 C ATOM 489 C THR A 36 -3.449 -6.463 -16.071 1.00 0.00 C ATOM 490 O THR A 36 -3.010 -5.445 -16.607 1.00 0.00 O ATOM 491 CB THR A 36 -5.307 -6.621 -17.730 1.00 0.00 C ATOM 492 OG1 THR A 36 -6.675 -6.990 -17.933 1.00 0.00 O ATOM 493 CG2 THR A 36 -4.418 -7.400 -18.687 1.00 0.00 C ATOM 0 H THR A 36 -6.014 -5.234 -15.612 1.00 0.00 H new ATOM 0 HA THR A 36 -4.999 -7.950 -16.059 1.00 0.00 H new ATOM 0 HB THR A 36 -5.185 -5.557 -17.931 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.926 -6.817 -18.865 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.724 -7.198 -19.714 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.381 -7.095 -18.550 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.512 -8.467 -18.484 1.00 0.00 H new ATOM 501 N VAL A 37 -2.708 -7.252 -15.299 1.00 0.00 N ATOM 502 CA VAL A 37 -1.304 -6.961 -15.033 1.00 0.00 C ATOM 503 C VAL A 37 -0.442 -7.245 -16.258 1.00 0.00 C ATOM 504 O VAL A 37 -0.677 -8.211 -16.983 1.00 0.00 O ATOM 505 CB VAL A 37 -0.776 -7.785 -13.844 1.00 0.00 C ATOM 506 CG1 VAL A 37 -0.468 -9.210 -14.277 1.00 0.00 C ATOM 507 CG2 VAL A 37 0.455 -7.123 -13.243 1.00 0.00 C ATOM 0 H VAL A 37 -3.057 -8.097 -14.847 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.241 -5.901 -14.787 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.550 -7.823 -13.078 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.096 -9.777 -13.424 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.376 -9.679 -14.657 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.289 -9.196 -15.061 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.815 -7.718 -12.404 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.236 -7.053 -14.000 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.197 -6.123 -12.894 1.00 0.00 H new ATOM 517 N MET A 38 0.557 -6.398 -16.482 1.00 0.00 N ATOM 518 CA MET A 38 1.456 -6.560 -17.619 1.00 0.00 C ATOM 519 C MET A 38 2.593 -7.518 -17.280 1.00 0.00 C ATOM 520 O MET A 38 2.832 -8.491 -17.995 1.00 0.00 O ATOM 521 CB MET A 38 2.024 -5.204 -18.044 1.00 0.00 C ATOM 522 CG MET A 38 1.002 -4.300 -18.714 1.00 0.00 C ATOM 523 SD MET A 38 0.360 -4.995 -20.249 1.00 0.00 S ATOM 524 CE MET A 38 -1.403 -4.925 -19.942 1.00 0.00 C ATOM 0 H MET A 38 0.765 -5.593 -15.892 1.00 0.00 H new ATOM 0 HA MET A 38 0.885 -6.981 -18.446 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.426 -4.697 -17.167 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.857 -5.366 -18.728 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.175 -4.121 -18.027 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.459 -3.332 -18.921 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.939 -5.322 -20.804 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.643 -5.520 -19.061 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.702 -3.890 -19.774 1.00 0.00 H new ATOM 534 N SER A 39 3.292 -7.236 -16.185 1.00 0.00 N ATOM 535 CA SER A 39 4.408 -8.070 -15.754 1.00 0.00 C ATOM 536 C SER A 39 4.678 -7.889 -14.264 1.00 0.00 C ATOM 537 O SER A 39 4.221 -6.924 -13.651 1.00 0.00 O ATOM 538 CB SER A 39 5.666 -7.731 -16.557 1.00 0.00 C ATOM 539 OG SER A 39 6.313 -6.585 -16.031 1.00 0.00 O ATOM 0 H SER A 39 3.105 -6.436 -15.580 1.00 0.00 H new ATOM 0 HA SER A 39 4.141 -9.112 -15.933 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.351 -8.579 -16.541 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.400 -7.556 -17.599 1.00 0.00 H new ATOM 0 HG SER A 39 7.114 -6.390 -16.560 1.00 0.00 H new ATOM 545 N VAL A 40 5.424 -8.825 -13.686 1.00 0.00 N ATOM 546 CA VAL A 40 5.757 -8.770 -12.268 1.00 0.00 C ATOM 547 C VAL A 40 7.169 -9.286 -12.014 1.00 0.00 C ATOM 548 O VAL A 40 7.621 -10.233 -12.658 1.00 0.00 O ATOM 549 CB VAL A 40 4.763 -9.591 -11.425 1.00 0.00 C ATOM 550 CG1 VAL A 40 4.384 -10.875 -12.147 1.00 0.00 C ATOM 551 CG2 VAL A 40 5.349 -9.893 -10.055 1.00 0.00 C ATOM 0 H VAL A 40 5.809 -9.631 -14.178 1.00 0.00 H new ATOM 0 HA VAL A 40 5.697 -7.723 -11.970 1.00 0.00 H new ATOM 0 HB VAL A 40 3.858 -9.000 -11.285 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.681 -11.442 -11.536 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.920 -10.632 -13.103 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.279 -11.473 -12.320 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.633 -10.474 -9.473 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.270 -10.464 -10.171 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.564 -8.958 -9.537 1.00 0.00 H new ATOM 561 N LYS A 41 7.862 -8.658 -11.070 1.00 0.00 N ATOM 562 CA LYS A 41 9.223 -9.054 -10.728 1.00 0.00 C ATOM 563 C LYS A 41 9.382 -9.206 -9.218 1.00 0.00 C ATOM 564 O LYS A 41 9.109 -8.276 -8.459 1.00 0.00 O ATOM 565 CB LYS A 41 10.223 -8.024 -11.256 1.00 0.00 C ATOM 566 CG LYS A 41 11.589 -8.609 -11.571 1.00 0.00 C ATOM 567 CD LYS A 41 12.670 -7.542 -11.554 1.00 0.00 C ATOM 568 CE LYS A 41 12.713 -6.771 -12.865 1.00 0.00 C ATOM 569 NZ LYS A 41 13.370 -5.444 -12.707 1.00 0.00 N ATOM 0 H LYS A 41 7.503 -7.872 -10.528 1.00 0.00 H new ATOM 0 HA LYS A 41 9.423 -10.018 -11.195 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.817 -7.565 -12.157 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.338 -7.230 -10.518 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.830 -9.384 -10.844 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.564 -9.087 -12.550 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.488 -6.852 -10.730 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.639 -8.007 -11.372 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.250 -7.355 -13.612 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.698 -6.632 -13.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.379 -4.950 -13.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.843 -4.876 -12.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.347 -5.577 -12.376 1.00 0.00 H new ATOM 583 N ILE A 42 9.826 -10.383 -8.790 1.00 0.00 N ATOM 584 CA ILE A 42 10.024 -10.654 -7.372 1.00 0.00 C ATOM 585 C ILE A 42 11.463 -10.371 -6.953 1.00 0.00 C ATOM 586 O ILE A 42 12.394 -11.040 -7.402 1.00 0.00 O ATOM 587 CB ILE A 42 9.679 -12.115 -7.025 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.310 -12.488 -7.597 1.00 0.00 C ATOM 589 CG2 ILE A 42 9.703 -12.321 -5.517 1.00 0.00 C ATOM 590 CD1 ILE A 42 7.154 -11.828 -6.878 1.00 0.00 C ATOM 0 H ILE A 42 10.055 -11.164 -9.405 1.00 0.00 H new ATOM 0 HA ILE A 42 9.352 -9.990 -6.827 1.00 0.00 H new ATOM 0 HB ILE A 42 10.429 -12.767 -7.473 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.278 -12.211 -8.651 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.187 -13.570 -7.548 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.457 -13.358 -5.287 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.697 -12.090 -5.134 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.972 -11.663 -5.048 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.215 -12.138 -7.337 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.161 -12.125 -5.829 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.252 -10.745 -6.949 1.00 0.00 H new ATOM 602 N ILE A 43 11.636 -9.375 -6.091 1.00 0.00 N ATOM 603 CA ILE A 43 12.961 -9.005 -5.609 1.00 0.00 C ATOM 604 C ILE A 43 13.493 -10.033 -4.617 1.00 0.00 C ATOM 605 O ILE A 43 13.082 -10.062 -3.457 1.00 0.00 O ATOM 606 CB ILE A 43 12.949 -7.619 -4.937 1.00 0.00 C ATOM 607 CG1 ILE A 43 12.445 -6.557 -5.918 1.00 0.00 C ATOM 608 CG2 ILE A 43 14.339 -7.263 -4.432 1.00 0.00 C ATOM 609 CD1 ILE A 43 13.138 -6.598 -7.261 1.00 0.00 C ATOM 0 H ILE A 43 10.876 -8.810 -5.712 1.00 0.00 H new ATOM 0 HA ILE A 43 13.615 -8.972 -6.480 1.00 0.00 H new ATOM 0 HB ILE A 43 12.271 -7.651 -4.084 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.374 -6.691 -6.067 1.00 0.00 H new ATOM 0 HG13 ILE A 43 12.585 -5.570 -5.476 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.314 -6.281 -3.960 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.664 -8.007 -3.705 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.037 -7.245 -5.269 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.731 -5.818 -7.905 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.207 -6.434 -7.124 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.977 -7.572 -7.724 1.00 0.00 H new ATOM 621 N ARG A 44 14.411 -10.876 -5.081 1.00 0.00 N ATOM 622 CA ARG A 44 15.000 -11.906 -4.234 1.00 0.00 C ATOM 623 C ARG A 44 16.516 -11.751 -4.164 1.00 0.00 C ATOM 624 O ARG A 44 17.127 -11.131 -5.034 1.00 0.00 O ATOM 625 CB ARG A 44 14.642 -13.296 -4.763 1.00 0.00 C ATOM 626 CG ARG A 44 13.146 -13.549 -4.849 1.00 0.00 C ATOM 627 CD ARG A 44 12.845 -14.905 -5.467 1.00 0.00 C ATOM 628 NE ARG A 44 13.404 -15.030 -6.811 1.00 0.00 N ATOM 629 CZ ARG A 44 14.651 -15.420 -7.054 1.00 0.00 C ATOM 630 NH1 ARG A 44 15.463 -15.721 -6.050 1.00 0.00 N ATOM 631 NH2 ARG A 44 15.087 -15.509 -8.304 1.00 0.00 N ATOM 0 H ARG A 44 14.762 -10.865 -6.039 1.00 0.00 H new ATOM 0 HA ARG A 44 14.594 -11.791 -3.229 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.081 -13.423 -5.753 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.092 -14.049 -4.116 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.709 -13.498 -3.852 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.677 -12.765 -5.443 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.251 -15.692 -4.831 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.766 -15.053 -5.508 1.00 0.00 H new ATOM 0 HE ARG A 44 12.805 -14.806 -7.606 1.00 0.00 H new ATOM 0 HH11 ARG A 44 15.131 -15.654 -5.088 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.420 -16.020 -6.240 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.465 -15.278 -9.079 1.00 0.00 H new ATOM 0 HH22 ARG A 44 16.044 -15.808 -8.490 1.00 0.00 H new ATOM 645 N ASN A 45 17.116 -12.318 -3.123 1.00 0.00 N ATOM 646 CA ASN A 45 18.561 -12.242 -2.939 1.00 0.00 C ATOM 647 C ASN A 45 19.282 -13.191 -3.892 1.00 0.00 C ATOM 648 O ASN A 45 18.650 -13.983 -4.591 1.00 0.00 O ATOM 649 CB ASN A 45 18.930 -12.577 -1.492 1.00 0.00 C ATOM 650 CG ASN A 45 20.219 -11.909 -1.055 1.00 0.00 C ATOM 651 OD1 ASN A 45 20.816 -11.135 -1.805 1.00 0.00 O ATOM 652 ND2 ASN A 45 20.656 -12.206 0.163 1.00 0.00 N ATOM 0 H ASN A 45 16.625 -12.835 -2.394 1.00 0.00 H new ATOM 0 HA ASN A 45 18.877 -11.223 -3.161 1.00 0.00 H new ATOM 0 HB2 ASN A 45 18.120 -12.265 -0.832 1.00 0.00 H new ATOM 0 HB3 ASN A 45 19.030 -13.657 -1.386 1.00 0.00 H new ATOM 0 HD21 ASN A 45 21.519 -11.788 0.511 1.00 0.00 H new ATOM 0 HD22 ASN A 45 20.129 -12.853 0.750 1.00 0.00 H new ATOM 659 N ARG A 46 20.608 -13.104 -3.914 1.00 0.00 N ATOM 660 CA ARG A 46 21.415 -13.954 -4.781 1.00 0.00 C ATOM 661 C ARG A 46 21.926 -15.175 -4.023 1.00 0.00 C ATOM 662 O ARG A 46 22.015 -16.272 -4.577 1.00 0.00 O ATOM 663 CB ARG A 46 22.594 -13.164 -5.352 1.00 0.00 C ATOM 664 CG ARG A 46 23.033 -13.634 -6.729 1.00 0.00 C ATOM 665 CD ARG A 46 23.949 -14.845 -6.638 1.00 0.00 C ATOM 666 NE ARG A 46 24.451 -15.251 -7.948 1.00 0.00 N ATOM 667 CZ ARG A 46 25.371 -14.572 -8.625 1.00 0.00 C ATOM 668 NH1 ARG A 46 25.885 -13.460 -8.118 1.00 0.00 N ATOM 669 NH2 ARG A 46 25.777 -15.005 -9.811 1.00 0.00 N ATOM 0 H ARG A 46 21.146 -12.454 -3.341 1.00 0.00 H new ATOM 0 HA ARG A 46 20.784 -14.296 -5.602 1.00 0.00 H new ATOM 0 HB2 ARG A 46 22.321 -12.110 -5.407 1.00 0.00 H new ATOM 0 HB3 ARG A 46 23.437 -13.240 -4.666 1.00 0.00 H new ATOM 0 HG2 ARG A 46 22.156 -13.884 -7.326 1.00 0.00 H new ATOM 0 HG3 ARG A 46 23.549 -12.824 -7.244 1.00 0.00 H new ATOM 0 HD2 ARG A 46 24.789 -14.615 -5.983 1.00 0.00 H new ATOM 0 HD3 ARG A 46 23.408 -15.675 -6.184 1.00 0.00 H new ATOM 0 HE ARG A 46 24.075 -16.102 -8.366 1.00 0.00 H new ATOM 0 HH11 ARG A 46 25.574 -13.124 -7.206 1.00 0.00 H new ATOM 0 HH12 ARG A 46 26.591 -12.941 -8.640 1.00 0.00 H new ATOM 0 HH21 ARG A 46 25.383 -15.860 -10.204 1.00 0.00 H new ATOM 0 HH22 ARG A 46 26.483 -14.483 -10.330 1.00 0.00 H new ATOM 683 N LEU A 47 22.261 -14.979 -2.753 1.00 0.00 N ATOM 684 CA LEU A 47 22.764 -16.064 -1.917 1.00 0.00 C ATOM 685 C LEU A 47 21.621 -16.770 -1.195 1.00 0.00 C ATOM 686 O LEU A 47 21.526 -17.998 -1.211 1.00 0.00 O ATOM 687 CB LEU A 47 23.770 -15.525 -0.899 1.00 0.00 C ATOM 688 CG LEU A 47 25.126 -15.093 -1.458 1.00 0.00 C ATOM 689 CD1 LEU A 47 25.754 -14.028 -0.573 1.00 0.00 C ATOM 690 CD2 LEU A 47 26.054 -16.292 -1.593 1.00 0.00 C ATOM 0 H LEU A 47 22.194 -14.078 -2.279 1.00 0.00 H new ATOM 0 HA LEU A 47 23.262 -16.787 -2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 47 23.321 -14.672 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.939 -16.293 -0.144 1.00 0.00 H new ATOM 0 HG LEU A 47 24.969 -14.666 -2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.718 -13.733 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 47 25.098 -13.159 -0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 47 25.897 -14.427 0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 47 27.014 -15.966 -1.992 1.00 0.00 H new ATOM 0 HD22 LEU A 47 26.204 -16.748 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 47 25.609 -17.022 -2.269 1.00 0.00 H new ATOM 702 N THR A 48 20.753 -15.986 -0.563 1.00 0.00 N ATOM 703 CA THR A 48 19.616 -16.536 0.164 1.00 0.00 C ATOM 704 C THR A 48 18.445 -16.811 -0.774 1.00 0.00 C ATOM 705 O THR A 48 17.574 -17.626 -0.472 1.00 0.00 O ATOM 706 CB THR A 48 19.150 -15.584 1.281 1.00 0.00 C ATOM 707 OG1 THR A 48 18.984 -14.260 0.760 1.00 0.00 O ATOM 708 CG2 THR A 48 20.152 -15.562 2.426 1.00 0.00 C ATOM 0 H THR A 48 20.816 -14.968 -0.540 1.00 0.00 H new ATOM 0 HA THR A 48 19.949 -17.473 0.610 1.00 0.00 H new ATOM 0 HB THR A 48 18.195 -15.946 1.661 1.00 0.00 H new ATOM 0 HG1 THR A 48 18.537 -13.699 1.428 1.00 0.00 H new ATOM 0 HG21 THR A 48 19.802 -14.883 3.203 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.254 -16.565 2.840 1.00 0.00 H new ATOM 0 HG23 THR A 48 21.119 -15.222 2.056 1.00 0.00 H new ATOM 716 N GLY A 49 18.431 -16.126 -1.913 1.00 0.00 N ATOM 717 CA GLY A 49 17.363 -16.312 -2.878 1.00 0.00 C ATOM 718 C GLY A 49 15.996 -16.021 -2.292 1.00 0.00 C ATOM 719 O GLY A 49 14.973 -16.310 -2.913 1.00 0.00 O ATOM 0 H GLY A 49 19.140 -15.445 -2.185 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.534 -15.660 -3.735 1.00 0.00 H new ATOM 0 HA3 GLY A 49 17.386 -17.337 -3.248 1.00 0.00 H new ATOM 723 N ILE A 50 15.977 -15.449 -1.093 1.00 0.00 N ATOM 724 CA ILE A 50 14.725 -15.120 -0.423 1.00 0.00 C ATOM 725 C ILE A 50 14.191 -13.770 -0.891 1.00 0.00 C ATOM 726 O ILE A 50 14.934 -12.802 -1.053 1.00 0.00 O ATOM 727 CB ILE A 50 14.896 -15.089 1.107 1.00 0.00 C ATOM 728 CG1 ILE A 50 15.391 -16.446 1.614 1.00 0.00 C ATOM 729 CG2 ILE A 50 13.584 -14.713 1.779 1.00 0.00 C ATOM 730 CD1 ILE A 50 15.527 -16.515 3.119 1.00 0.00 C ATOM 0 H ILE A 50 16.815 -15.204 -0.565 1.00 0.00 H new ATOM 0 HA ILE A 50 14.012 -15.902 -0.684 1.00 0.00 H new ATOM 0 HB ILE A 50 15.640 -14.334 1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 50 14.701 -17.222 1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 50 16.357 -16.664 1.159 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.721 -14.695 2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.269 -13.727 1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.820 -15.447 1.522 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.882 -17.504 3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 50 16.240 -15.762 3.455 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.557 -16.328 3.581 1.00 0.00 H new ATOM 742 N PRO A 51 12.869 -13.701 -1.111 1.00 0.00 N ATOM 743 CA PRO A 51 12.204 -12.475 -1.560 1.00 0.00 C ATOM 744 C PRO A 51 12.179 -11.399 -0.479 1.00 0.00 C ATOM 745 O PRO A 51 11.597 -11.592 0.588 1.00 0.00 O ATOM 746 CB PRO A 51 10.783 -12.940 -1.884 1.00 0.00 C ATOM 747 CG PRO A 51 10.578 -14.150 -1.039 1.00 0.00 C ATOM 748 CD PRO A 51 11.923 -14.816 -0.937 1.00 0.00 C ATOM 0 HA PRO A 51 12.720 -12.018 -2.404 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.051 -12.167 -1.652 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.675 -13.174 -2.943 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.201 -13.878 -0.053 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.844 -14.819 -1.487 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.055 -15.309 0.026 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.054 -15.578 -1.706 1.00 0.00 H new ATOM 756 N ALA A 52 12.815 -10.267 -0.762 1.00 0.00 N ATOM 757 CA ALA A 52 12.863 -9.161 0.185 1.00 0.00 C ATOM 758 C ALA A 52 11.510 -8.953 0.857 1.00 0.00 C ATOM 759 O ALA A 52 11.435 -8.519 2.005 1.00 0.00 O ATOM 760 CB ALA A 52 13.308 -7.885 -0.515 1.00 0.00 C ATOM 0 H ALA A 52 13.304 -10.092 -1.640 1.00 0.00 H new ATOM 0 HA ALA A 52 13.589 -9.410 0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.339 -7.067 0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.300 -8.031 -0.942 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.603 -7.642 -1.310 1.00 0.00 H new ATOM 766 N GLY A 53 10.440 -9.267 0.131 1.00 0.00 N ATOM 767 CA GLY A 53 9.103 -9.107 0.673 1.00 0.00 C ATOM 768 C GLY A 53 8.245 -8.180 -0.164 1.00 0.00 C ATOM 769 O GLY A 53 7.117 -7.860 0.210 1.00 0.00 O ATOM 0 H GLY A 53 10.476 -9.629 -0.822 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.622 -10.083 0.738 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.170 -8.717 1.688 1.00 0.00 H new ATOM 773 N TYR A 54 8.780 -7.746 -1.300 1.00 0.00 N ATOM 774 CA TYR A 54 8.057 -6.847 -2.191 1.00 0.00 C ATOM 775 C TYR A 54 8.365 -7.163 -3.652 1.00 0.00 C ATOM 776 O TYR A 54 9.420 -7.713 -3.970 1.00 0.00 O ATOM 777 CB TYR A 54 8.419 -5.393 -1.886 1.00 0.00 C ATOM 778 CG TYR A 54 9.808 -5.006 -2.341 1.00 0.00 C ATOM 779 CD1 TYR A 54 10.926 -5.345 -1.590 1.00 0.00 C ATOM 780 CD2 TYR A 54 10.001 -4.300 -3.522 1.00 0.00 C ATOM 781 CE1 TYR A 54 12.197 -4.993 -2.002 1.00 0.00 C ATOM 782 CE2 TYR A 54 11.269 -3.945 -3.942 1.00 0.00 C ATOM 783 CZ TYR A 54 12.363 -4.294 -3.179 1.00 0.00 C ATOM 784 OH TYR A 54 13.627 -3.941 -3.593 1.00 0.00 O ATOM 0 H TYR A 54 9.712 -8.002 -1.625 1.00 0.00 H new ATOM 0 HA TYR A 54 6.990 -6.992 -2.024 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.693 -4.738 -2.367 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.338 -5.225 -0.812 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.800 -5.893 -0.668 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.146 -4.024 -4.122 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.056 -5.264 -1.406 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.402 -3.397 -4.863 1.00 0.00 H new ATOM 0 HH TYR A 54 13.569 -3.454 -4.442 1.00 0.00 H new ATOM 794 N CYS A 55 7.436 -6.812 -4.534 1.00 0.00 N ATOM 795 CA CYS A 55 7.606 -7.058 -5.962 1.00 0.00 C ATOM 796 C CYS A 55 7.108 -5.872 -6.781 1.00 0.00 C ATOM 797 O CYS A 55 6.270 -5.095 -6.322 1.00 0.00 O ATOM 798 CB CYS A 55 6.861 -8.328 -6.375 1.00 0.00 C ATOM 799 SG CYS A 55 5.099 -8.078 -6.694 1.00 0.00 S ATOM 0 H CYS A 55 6.558 -6.356 -4.286 1.00 0.00 H new ATOM 0 HA CYS A 55 8.670 -7.191 -6.158 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.328 -8.735 -7.272 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.975 -9.075 -5.590 1.00 0.00 H new ATOM 0 HG CYS A 55 4.402 -8.821 -5.886 1.00 0.00 H new ATOM 805 N PHE A 56 7.629 -5.737 -7.996 1.00 0.00 N ATOM 806 CA PHE A 56 7.239 -4.644 -8.879 1.00 0.00 C ATOM 807 C PHE A 56 6.278 -5.133 -9.958 1.00 0.00 C ATOM 808 O PHE A 56 6.459 -6.211 -10.524 1.00 0.00 O ATOM 809 CB PHE A 56 8.475 -4.017 -9.527 1.00 0.00 C ATOM 810 CG PHE A 56 9.341 -3.261 -8.560 1.00 0.00 C ATOM 811 CD1 PHE A 56 8.922 -2.049 -8.036 1.00 0.00 C ATOM 812 CD2 PHE A 56 10.574 -3.763 -8.176 1.00 0.00 C ATOM 813 CE1 PHE A 56 9.716 -1.351 -7.145 1.00 0.00 C ATOM 814 CE2 PHE A 56 11.372 -3.069 -7.286 1.00 0.00 C ATOM 815 CZ PHE A 56 10.943 -1.861 -6.771 1.00 0.00 C ATOM 0 H PHE A 56 8.323 -6.371 -8.392 1.00 0.00 H new ATOM 0 HA PHE A 56 6.730 -3.890 -8.279 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.068 -4.803 -9.995 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.156 -3.342 -10.321 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.964 -1.645 -8.327 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.915 -4.706 -8.576 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.377 -0.408 -6.742 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.331 -3.471 -6.993 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.566 -1.317 -6.077 1.00 0.00 H new ATOM 825 N VAL A 57 5.254 -4.332 -10.237 1.00 0.00 N ATOM 826 CA VAL A 57 4.263 -4.682 -11.248 1.00 0.00 C ATOM 827 C VAL A 57 4.222 -3.641 -12.361 1.00 0.00 C ATOM 828 O VAL A 57 4.172 -2.440 -12.098 1.00 0.00 O ATOM 829 CB VAL A 57 2.858 -4.817 -10.634 1.00 0.00 C ATOM 830 CG1 VAL A 57 2.585 -6.259 -10.234 1.00 0.00 C ATOM 831 CG2 VAL A 57 2.707 -3.887 -9.440 1.00 0.00 C ATOM 0 H VAL A 57 5.089 -3.437 -9.777 1.00 0.00 H new ATOM 0 HA VAL A 57 4.563 -5.644 -11.665 1.00 0.00 H new ATOM 0 HB VAL A 57 2.123 -4.529 -11.386 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.587 -6.334 -9.802 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.649 -6.899 -11.114 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.324 -6.579 -9.499 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.708 -3.996 -9.018 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.450 -4.142 -8.684 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.855 -2.856 -9.761 1.00 0.00 H new ATOM 841 N GLU A 58 4.243 -4.110 -13.604 1.00 0.00 N ATOM 842 CA GLU A 58 4.208 -3.217 -14.757 1.00 0.00 C ATOM 843 C GLU A 58 2.789 -3.089 -15.303 1.00 0.00 C ATOM 844 O GLU A 58 1.963 -3.987 -15.135 1.00 0.00 O ATOM 845 CB GLU A 58 5.144 -3.729 -15.854 1.00 0.00 C ATOM 846 CG GLU A 58 5.647 -2.636 -16.783 1.00 0.00 C ATOM 847 CD GLU A 58 6.990 -2.971 -17.403 1.00 0.00 C ATOM 848 OE1 GLU A 58 7.898 -3.394 -16.657 1.00 0.00 O ATOM 849 OE2 GLU A 58 7.133 -2.809 -18.633 1.00 0.00 O ATOM 0 H GLU A 58 4.284 -5.102 -13.839 1.00 0.00 H new ATOM 0 HA GLU A 58 4.544 -2.232 -14.432 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.998 -4.222 -15.390 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.622 -4.483 -16.443 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.916 -2.472 -17.575 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.730 -1.702 -16.228 1.00 0.00 H new ATOM 856 N PHE A 59 2.512 -1.966 -15.958 1.00 0.00 N ATOM 857 CA PHE A 59 1.193 -1.719 -16.528 1.00 0.00 C ATOM 858 C PHE A 59 1.304 -0.955 -17.844 1.00 0.00 C ATOM 859 O PHE A 59 2.400 -0.607 -18.282 1.00 0.00 O ATOM 860 CB PHE A 59 0.327 -0.934 -15.541 1.00 0.00 C ATOM 861 CG PHE A 59 -0.119 -1.745 -14.358 1.00 0.00 C ATOM 862 CD1 PHE A 59 -1.222 -2.579 -14.448 1.00 0.00 C ATOM 863 CD2 PHE A 59 0.565 -1.674 -13.155 1.00 0.00 C ATOM 864 CE1 PHE A 59 -1.634 -3.325 -13.361 1.00 0.00 C ATOM 865 CE2 PHE A 59 0.158 -2.418 -12.064 1.00 0.00 C ATOM 866 CZ PHE A 59 -0.943 -3.246 -12.168 1.00 0.00 C ATOM 0 H PHE A 59 3.184 -1.213 -16.107 1.00 0.00 H new ATOM 0 HA PHE A 59 0.724 -2.683 -16.726 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.887 -0.068 -15.188 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.551 -0.554 -16.063 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.766 -2.646 -15.379 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.427 -1.029 -13.069 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.496 -3.970 -13.444 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.700 -2.352 -11.132 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.263 -3.830 -11.318 1.00 0.00 H new ATOM 876 N ALA A 60 0.160 -0.697 -18.470 1.00 0.00 N ATOM 877 CA ALA A 60 0.127 0.026 -19.735 1.00 0.00 C ATOM 878 C ALA A 60 0.905 1.334 -19.639 1.00 0.00 C ATOM 879 O ALA A 60 1.809 1.590 -20.435 1.00 0.00 O ATOM 880 CB ALA A 60 -1.311 0.295 -20.152 1.00 0.00 C ATOM 0 H ALA A 60 -0.756 -0.978 -18.121 1.00 0.00 H new ATOM 0 HA ALA A 60 0.603 -0.596 -20.493 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.320 0.836 -21.098 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.839 -0.651 -20.269 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.806 0.894 -19.387 1.00 0.00 H new ATOM 886 N ASP A 61 0.548 2.160 -18.662 1.00 0.00 N ATOM 887 CA ASP A 61 1.213 3.442 -18.462 1.00 0.00 C ATOM 888 C ASP A 61 0.912 4.000 -17.074 1.00 0.00 C ATOM 889 O ASP A 61 0.064 3.474 -16.352 1.00 0.00 O ATOM 890 CB ASP A 61 0.773 4.441 -19.533 1.00 0.00 C ATOM 891 CG ASP A 61 1.230 5.854 -19.229 1.00 0.00 C ATOM 892 OD1 ASP A 61 2.455 6.074 -19.136 1.00 0.00 O ATOM 893 OD2 ASP A 61 0.362 6.741 -19.083 1.00 0.00 O ATOM 0 H ASP A 61 -0.199 1.964 -17.996 1.00 0.00 H new ATOM 0 HA ASP A 61 2.288 3.282 -18.544 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.173 4.133 -20.499 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.314 4.424 -19.617 1.00 0.00 H new ATOM 898 N LEU A 62 1.614 5.066 -16.706 1.00 0.00 N ATOM 899 CA LEU A 62 1.424 5.695 -15.403 1.00 0.00 C ATOM 900 C LEU A 62 -0.058 5.907 -15.113 1.00 0.00 C ATOM 901 O LEU A 62 -0.540 5.590 -14.025 1.00 0.00 O ATOM 902 CB LEU A 62 2.163 7.033 -15.348 1.00 0.00 C ATOM 903 CG LEU A 62 2.092 7.784 -14.019 1.00 0.00 C ATOM 904 CD1 LEU A 62 2.842 7.026 -12.935 1.00 0.00 C ATOM 905 CD2 LEU A 62 2.650 9.192 -14.171 1.00 0.00 C ATOM 0 H LEU A 62 2.320 5.513 -17.291 1.00 0.00 H new ATOM 0 HA LEU A 62 1.833 5.030 -14.642 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.212 6.856 -15.587 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.763 7.679 -16.129 1.00 0.00 H new ATOM 0 HG LEU A 62 1.046 7.859 -13.723 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.780 7.577 -11.996 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.397 6.039 -12.807 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.888 6.918 -13.224 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.591 9.712 -13.215 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.690 9.138 -14.492 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.068 9.735 -14.916 1.00 0.00 H new ATOM 917 N ALA A 63 -0.777 6.444 -16.093 1.00 0.00 N ATOM 918 CA ALA A 63 -2.205 6.695 -15.945 1.00 0.00 C ATOM 919 C ALA A 63 -2.918 5.480 -15.361 1.00 0.00 C ATOM 920 O ALA A 63 -3.424 5.522 -14.239 1.00 0.00 O ATOM 921 CB ALA A 63 -2.817 7.075 -17.285 1.00 0.00 C ATOM 0 H ALA A 63 -0.393 6.714 -16.999 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.332 7.527 -15.252 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.884 7.259 -17.159 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.335 7.977 -17.662 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.671 6.261 -17.995 1.00 0.00 H new ATOM 927 N THR A 64 -2.956 4.396 -16.130 1.00 0.00 N ATOM 928 CA THR A 64 -3.609 3.169 -15.690 1.00 0.00 C ATOM 929 C THR A 64 -3.079 2.720 -14.334 1.00 0.00 C ATOM 930 O THR A 64 -3.827 2.203 -13.504 1.00 0.00 O ATOM 931 CB THR A 64 -3.411 2.031 -16.709 1.00 0.00 C ATOM 932 OG1 THR A 64 -4.100 2.337 -17.926 1.00 0.00 O ATOM 933 CG2 THR A 64 -3.920 0.710 -16.151 1.00 0.00 C ATOM 0 H THR A 64 -2.542 4.343 -17.061 1.00 0.00 H new ATOM 0 HA THR A 64 -4.673 3.390 -15.606 1.00 0.00 H new ATOM 0 HB THR A 64 -2.344 1.936 -16.910 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.967 1.609 -18.569 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.770 -0.079 -16.888 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.373 0.465 -15.241 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.983 0.796 -15.924 1.00 0.00 H new ATOM 941 N ALA A 65 -1.783 2.921 -14.114 1.00 0.00 N ATOM 942 CA ALA A 65 -1.154 2.539 -12.856 1.00 0.00 C ATOM 943 C ALA A 65 -1.827 3.227 -11.674 1.00 0.00 C ATOM 944 O ALA A 65 -2.121 2.593 -10.661 1.00 0.00 O ATOM 945 CB ALA A 65 0.331 2.870 -12.887 1.00 0.00 C ATOM 0 H ALA A 65 -1.149 3.346 -14.791 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.273 1.463 -12.731 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.788 2.579 -11.941 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.808 2.327 -13.703 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.462 3.941 -13.039 1.00 0.00 H new ATOM 951 N GLU A 66 -2.067 4.527 -11.810 1.00 0.00 N ATOM 952 CA GLU A 66 -2.704 5.301 -10.751 1.00 0.00 C ATOM 953 C GLU A 66 -4.075 4.726 -10.407 1.00 0.00 C ATOM 954 O GLU A 66 -4.283 4.198 -9.314 1.00 0.00 O ATOM 955 CB GLU A 66 -2.845 6.765 -11.173 1.00 0.00 C ATOM 956 CG GLU A 66 -1.632 7.615 -10.833 1.00 0.00 C ATOM 957 CD GLU A 66 -1.509 8.838 -11.721 1.00 0.00 C ATOM 958 OE1 GLU A 66 -2.118 9.877 -11.390 1.00 0.00 O ATOM 959 OE2 GLU A 66 -0.804 8.756 -12.749 1.00 0.00 O ATOM 0 H GLU A 66 -1.830 5.066 -12.643 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.072 5.245 -9.865 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.020 6.809 -12.248 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.724 7.191 -10.689 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.695 7.931 -9.792 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.731 7.010 -10.928 1.00 0.00 H new ATOM 966 N LYS A 67 -5.008 4.832 -11.347 1.00 0.00 N ATOM 967 CA LYS A 67 -6.359 4.323 -11.146 1.00 0.00 C ATOM 968 C LYS A 67 -6.330 2.873 -10.674 1.00 0.00 C ATOM 969 O LYS A 67 -7.101 2.479 -9.798 1.00 0.00 O ATOM 970 CB LYS A 67 -7.166 4.432 -12.442 1.00 0.00 C ATOM 971 CG LYS A 67 -7.192 5.834 -13.026 1.00 0.00 C ATOM 972 CD LYS A 67 -7.294 5.805 -14.541 1.00 0.00 C ATOM 973 CE LYS A 67 -8.739 5.688 -15.001 1.00 0.00 C ATOM 974 NZ LYS A 67 -9.375 7.023 -15.174 1.00 0.00 N ATOM 0 H LYS A 67 -4.853 5.266 -12.257 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.837 4.928 -10.376 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.747 3.748 -13.180 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.189 4.108 -12.252 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.037 6.385 -12.614 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.289 6.369 -12.731 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.852 6.712 -14.954 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.718 4.965 -14.929 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.777 5.143 -15.944 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.306 5.107 -14.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.359 6.901 -15.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.362 7.534 -14.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.849 7.568 -15.887 1.00 0.00 H new ATOM 988 N CYS A 68 -5.435 2.084 -11.258 1.00 0.00 N ATOM 989 CA CYS A 68 -5.304 0.677 -10.896 1.00 0.00 C ATOM 990 C CYS A 68 -4.680 0.527 -9.513 1.00 0.00 C ATOM 991 O CYS A 68 -4.791 -0.524 -8.880 1.00 0.00 O ATOM 992 CB CYS A 68 -4.458 -0.062 -11.934 1.00 0.00 C ATOM 993 SG CYS A 68 -4.660 -1.859 -11.907 1.00 0.00 S ATOM 0 H CYS A 68 -4.789 2.394 -11.984 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.302 0.239 -10.873 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.716 0.307 -12.927 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.408 0.177 -11.768 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.605 -2.422 -12.417 1.00 0.00 H new ATOM 999 N LEU A 69 -4.021 1.583 -9.049 1.00 0.00 N ATOM 1000 CA LEU A 69 -3.376 1.569 -7.741 1.00 0.00 C ATOM 1001 C LEU A 69 -4.299 2.145 -6.672 1.00 0.00 C ATOM 1002 O LEU A 69 -4.179 1.818 -5.491 1.00 0.00 O ATOM 1003 CB LEU A 69 -2.070 2.365 -7.785 1.00 0.00 C ATOM 1004 CG LEU A 69 -1.647 3.033 -6.477 1.00 0.00 C ATOM 1005 CD1 LEU A 69 -0.946 2.034 -5.570 1.00 0.00 C ATOM 1006 CD2 LEU A 69 -0.745 4.227 -6.755 1.00 0.00 C ATOM 0 H LEU A 69 -3.919 2.460 -9.560 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.155 0.533 -7.484 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.271 1.696 -8.103 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.163 3.136 -8.550 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.542 3.390 -5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.652 2.528 -4.644 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.623 1.211 -5.343 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.059 1.647 -6.072 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.454 4.690 -5.812 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.146 3.894 -7.286 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.281 4.953 -7.366 1.00 0.00 H new ATOM 1018 N HIS A 70 -5.223 3.002 -7.095 1.00 0.00 N ATOM 1019 CA HIS A 70 -6.170 3.621 -6.175 1.00 0.00 C ATOM 1020 C HIS A 70 -7.438 2.781 -6.052 1.00 0.00 C ATOM 1021 O HIS A 70 -8.253 2.995 -5.155 1.00 0.00 O ATOM 1022 CB HIS A 70 -6.523 5.032 -6.646 1.00 0.00 C ATOM 1023 CG HIS A 70 -5.436 6.034 -6.406 1.00 0.00 C ATOM 1024 ND1 HIS A 70 -5.584 7.118 -5.567 1.00 0.00 N ATOM 1025 CD2 HIS A 70 -4.177 6.109 -6.898 1.00 0.00 C ATOM 1026 CE1 HIS A 70 -4.464 7.819 -5.556 1.00 0.00 C ATOM 1027 NE2 HIS A 70 -3.594 7.227 -6.355 1.00 0.00 N ATOM 0 H HIS A 70 -5.336 3.283 -8.069 1.00 0.00 H new ATOM 0 HA HIS A 70 -5.699 3.680 -5.194 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.751 5.004 -7.712 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.428 5.361 -6.135 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.717 5.418 -7.589 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.289 8.722 -4.990 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -2.644 7.548 -6.539 1.00 0.00 H new ATOM 1035 N LYS A 71 -7.597 1.824 -6.960 1.00 0.00 N ATOM 1036 CA LYS A 71 -8.765 0.950 -6.955 1.00 0.00 C ATOM 1037 C LYS A 71 -8.552 -0.236 -6.021 1.00 0.00 C ATOM 1038 O LYS A 71 -9.508 -0.895 -5.611 1.00 0.00 O ATOM 1039 CB LYS A 71 -9.061 0.452 -8.371 1.00 0.00 C ATOM 1040 CG LYS A 71 -7.963 -0.425 -8.949 1.00 0.00 C ATOM 1041 CD LYS A 71 -8.185 -1.890 -8.612 1.00 0.00 C ATOM 1042 CE LYS A 71 -9.350 -2.473 -9.399 1.00 0.00 C ATOM 1043 NZ LYS A 71 -10.009 -3.591 -8.669 1.00 0.00 N ATOM 0 H LYS A 71 -6.932 1.634 -7.709 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.617 1.526 -6.594 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.996 -0.109 -8.362 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.211 1.311 -9.025 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.929 -0.301 -10.031 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.997 -0.104 -8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.279 -2.456 -8.829 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.378 -1.994 -7.544 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.081 -1.690 -9.599 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.993 -2.831 -10.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.150 -4.393 -9.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.408 -3.889 -7.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.930 -3.273 -8.306 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.294 -0.502 -5.687 1.00 0.00 N ATOM 1058 CA ILE A 72 -6.957 -1.608 -4.799 1.00 0.00 C ATOM 1059 C ILE A 72 -6.208 -1.114 -3.565 1.00 0.00 C ATOM 1060 O ILE A 72 -5.995 -1.865 -2.614 1.00 0.00 O ATOM 1061 CB ILE A 72 -6.098 -2.666 -5.517 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -5.253 -2.010 -6.612 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -6.982 -3.756 -6.104 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -4.565 -3.005 -7.521 1.00 0.00 C ATOM 0 H ILE A 72 -6.491 0.033 -6.018 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.898 -2.064 -4.492 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.426 -3.123 -4.790 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.891 -1.362 -7.213 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.500 -1.374 -6.147 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.361 -4.496 -6.608 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.544 -4.238 -5.304 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.675 -3.316 -6.821 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.984 -2.470 -8.273 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.901 -3.637 -6.932 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.313 -3.625 -8.014 1.00 0.00 H new ATOM 1076 N ASN A 73 -5.812 0.155 -3.589 1.00 0.00 N ATOM 1077 CA ASN A 73 -5.088 0.750 -2.471 1.00 0.00 C ATOM 1078 C ASN A 73 -5.971 0.824 -1.229 1.00 0.00 C ATOM 1079 O ASN A 73 -6.595 1.849 -0.959 1.00 0.00 O ATOM 1080 CB ASN A 73 -4.594 2.149 -2.845 1.00 0.00 C ATOM 1081 CG ASN A 73 -4.370 3.026 -1.628 1.00 0.00 C ATOM 1082 OD1 ASN A 73 -5.179 3.902 -1.323 1.00 0.00 O ATOM 1083 ND2 ASN A 73 -3.266 2.794 -0.927 1.00 0.00 N ATOM 0 H ASN A 73 -5.980 0.790 -4.369 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.230 0.117 -2.246 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.663 2.065 -3.406 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.321 2.624 -3.504 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.061 3.353 -0.099 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.623 2.057 -1.217 1.00 0.00 H new ATOM 1090 N GLY A 74 -6.017 -0.271 -0.476 1.00 0.00 N ATOM 1091 CA GLY A 74 -6.825 -0.309 0.729 1.00 0.00 C ATOM 1092 C GLY A 74 -7.763 -1.499 0.761 1.00 0.00 C ATOM 1093 O GLY A 74 -8.304 -1.845 1.811 1.00 0.00 O ATOM 0 H GLY A 74 -5.509 -1.132 -0.679 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -6.171 -0.342 1.600 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.406 0.610 0.802 1.00 0.00 H new ATOM 1097 N LYS A 75 -7.959 -2.127 -0.394 1.00 0.00 N ATOM 1098 CA LYS A 75 -8.838 -3.285 -0.496 1.00 0.00 C ATOM 1099 C LYS A 75 -8.110 -4.560 -0.082 1.00 0.00 C ATOM 1100 O LYS A 75 -6.882 -4.645 -0.129 1.00 0.00 O ATOM 1101 CB LYS A 75 -9.365 -3.427 -1.926 1.00 0.00 C ATOM 1102 CG LYS A 75 -10.439 -2.414 -2.282 1.00 0.00 C ATOM 1103 CD LYS A 75 -11.715 -2.652 -1.491 1.00 0.00 C ATOM 1104 CE LYS A 75 -12.934 -2.116 -2.225 1.00 0.00 C ATOM 1105 NZ LYS A 75 -13.122 -0.656 -1.995 1.00 0.00 N ATOM 0 H LYS A 75 -7.520 -1.853 -1.273 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.678 -3.132 0.181 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.533 -3.322 -2.623 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.767 -4.432 -2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.070 -1.407 -2.085 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.655 -2.471 -3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.838 -3.720 -1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.635 -2.171 -0.516 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.827 -2.305 -3.293 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.823 -2.653 -1.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.963 -0.329 -2.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.250 -0.478 -0.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.285 -0.141 -2.334 1.00 0.00 H new ATOM 1119 N PRO A 76 -8.881 -5.576 0.331 1.00 0.00 N ATOM 1120 CA PRO A 76 -8.330 -6.865 0.759 1.00 0.00 C ATOM 1121 C PRO A 76 -7.740 -7.657 -0.403 1.00 0.00 C ATOM 1122 O PRO A 76 -8.314 -7.703 -1.492 1.00 0.00 O ATOM 1123 CB PRO A 76 -9.544 -7.594 1.341 1.00 0.00 C ATOM 1124 CG PRO A 76 -10.717 -6.983 0.656 1.00 0.00 C ATOM 1125 CD PRO A 76 -10.351 -5.545 0.412 1.00 0.00 C ATOM 0 HA PRO A 76 -7.509 -6.743 1.466 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.490 -8.666 1.152 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.604 -7.463 2.421 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.932 -7.496 -0.282 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.612 -7.059 1.273 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.796 -5.168 -0.509 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.695 -4.900 1.220 1.00 0.00 H new ATOM 1133 N LEU A 77 -6.591 -8.280 -0.165 1.00 0.00 N ATOM 1134 CA LEU A 77 -5.922 -9.071 -1.192 1.00 0.00 C ATOM 1135 C LEU A 77 -6.437 -10.507 -1.195 1.00 0.00 C ATOM 1136 O LEU A 77 -6.382 -11.214 -0.188 1.00 0.00 O ATOM 1137 CB LEU A 77 -4.409 -9.061 -0.968 1.00 0.00 C ATOM 1138 CG LEU A 77 -3.635 -10.239 -1.560 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -3.727 -10.231 -3.078 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -2.181 -10.200 -1.112 1.00 0.00 C ATOM 0 H LEU A 77 -6.103 -8.253 0.730 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.142 -8.623 -2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.006 -8.139 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.221 -9.031 0.105 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.083 -11.163 -1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.170 -11.077 -3.481 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.772 -10.308 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.305 -9.303 -3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.645 -11.046 -1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.722 -9.270 -1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.134 -10.256 -0.024 1.00 0.00 H new ATOM 1152 N PRO A 78 -6.949 -10.951 -2.352 1.00 0.00 N ATOM 1153 CA PRO A 78 -7.481 -12.307 -2.515 1.00 0.00 C ATOM 1154 C PRO A 78 -6.386 -13.368 -2.479 1.00 0.00 C ATOM 1155 O PRO A 78 -5.251 -13.116 -2.881 1.00 0.00 O ATOM 1156 CB PRO A 78 -8.140 -12.266 -3.895 1.00 0.00 C ATOM 1157 CG PRO A 78 -7.420 -11.188 -4.628 1.00 0.00 C ATOM 1158 CD PRO A 78 -7.046 -10.163 -3.593 1.00 0.00 C ATOM 0 HA PRO A 78 -8.164 -12.576 -1.709 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -8.046 -13.224 -4.407 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.205 -12.049 -3.818 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.534 -11.580 -5.127 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.053 -10.750 -5.400 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.102 -9.675 -3.834 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.799 -9.379 -3.513 1.00 0.00 H new ATOM 1166 N GLY A 79 -6.734 -14.556 -1.994 1.00 0.00 N ATOM 1167 CA GLY A 79 -5.769 -15.637 -1.915 1.00 0.00 C ATOM 1168 C GLY A 79 -4.947 -15.588 -0.642 1.00 0.00 C ATOM 1169 O GLY A 79 -4.825 -16.589 0.064 1.00 0.00 O ATOM 0 H GLY A 79 -7.667 -14.789 -1.654 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.292 -16.592 -1.970 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.103 -15.589 -2.776 1.00 0.00 H new ATOM 1173 N ALA A 80 -4.381 -14.422 -0.349 1.00 0.00 N ATOM 1174 CA ALA A 80 -3.567 -14.248 0.847 1.00 0.00 C ATOM 1175 C ALA A 80 -4.160 -15.005 2.030 1.00 0.00 C ATOM 1176 O ALA A 80 -5.352 -14.895 2.318 1.00 0.00 O ATOM 1177 CB ALA A 80 -3.429 -12.769 1.180 1.00 0.00 C ATOM 0 H ALA A 80 -4.471 -13.584 -0.924 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.577 -14.659 0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.819 -12.653 2.076 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.953 -12.251 0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.416 -12.342 1.356 1.00 0.00 H new ATOM 1183 N THR A 81 -3.320 -15.777 2.713 1.00 0.00 N ATOM 1184 CA THR A 81 -3.761 -16.555 3.864 1.00 0.00 C ATOM 1185 C THR A 81 -3.025 -16.131 5.130 1.00 0.00 C ATOM 1186 O THR A 81 -1.803 -15.982 5.146 1.00 0.00 O ATOM 1187 CB THR A 81 -3.544 -18.064 3.639 1.00 0.00 C ATOM 1188 OG1 THR A 81 -4.272 -18.497 2.485 1.00 0.00 O ATOM 1189 CG2 THR A 81 -3.990 -18.862 4.855 1.00 0.00 C ATOM 0 H THR A 81 -2.330 -15.880 2.489 1.00 0.00 H new ATOM 0 HA THR A 81 -4.827 -16.362 3.985 1.00 0.00 H new ATOM 0 HB THR A 81 -2.479 -18.236 3.482 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.204 -17.818 1.781 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.827 -19.924 4.673 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.413 -18.551 5.726 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.049 -18.684 5.039 1.00 0.00 H new ATOM 1197 N PRO A 82 -3.784 -15.930 6.217 1.00 0.00 N ATOM 1198 CA PRO A 82 -5.240 -16.103 6.210 1.00 0.00 C ATOM 1199 C PRO A 82 -5.947 -15.024 5.397 1.00 0.00 C ATOM 1200 O PRO A 82 -6.886 -15.309 4.654 1.00 0.00 O ATOM 1201 CB PRO A 82 -5.618 -15.992 7.689 1.00 0.00 C ATOM 1202 CG PRO A 82 -4.531 -15.175 8.298 1.00 0.00 C ATOM 1203 CD PRO A 82 -3.280 -15.519 7.538 1.00 0.00 C ATOM 0 HA PRO A 82 -5.536 -17.046 5.750 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.590 -15.514 7.814 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.683 -16.975 8.156 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.754 -14.111 8.222 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.419 -15.403 9.358 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.608 -14.664 7.463 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.723 -16.321 8.023 1.00 0.00 H new ATOM 1211 N ALA A 83 -5.491 -13.785 5.543 1.00 0.00 N ATOM 1212 CA ALA A 83 -6.079 -12.664 4.820 1.00 0.00 C ATOM 1213 C ALA A 83 -5.261 -11.392 5.020 1.00 0.00 C ATOM 1214 O ALA A 83 -5.076 -10.930 6.146 1.00 0.00 O ATOM 1215 CB ALA A 83 -7.517 -12.444 5.267 1.00 0.00 C ATOM 0 H ALA A 83 -4.716 -13.532 6.156 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.073 -12.906 3.757 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.944 -11.604 4.719 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.102 -13.342 5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.537 -12.228 6.335 1.00 0.00 H new ATOM 1221 N LYS A 84 -4.772 -10.830 3.920 1.00 0.00 N ATOM 1222 CA LYS A 84 -3.973 -9.611 3.972 1.00 0.00 C ATOM 1223 C LYS A 84 -4.650 -8.484 3.200 1.00 0.00 C ATOM 1224 O LYS A 84 -5.748 -8.654 2.669 1.00 0.00 O ATOM 1225 CB LYS A 84 -2.576 -9.867 3.403 1.00 0.00 C ATOM 1226 CG LYS A 84 -1.641 -10.565 4.375 1.00 0.00 C ATOM 1227 CD LYS A 84 -0.612 -11.413 3.647 1.00 0.00 C ATOM 1228 CE LYS A 84 0.503 -10.559 3.063 1.00 0.00 C ATOM 1229 NZ LYS A 84 1.161 -11.222 1.904 1.00 0.00 N ATOM 0 H LYS A 84 -4.915 -11.200 2.980 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.883 -9.310 5.016 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.666 -10.472 2.501 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.134 -8.916 3.106 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.133 -9.822 4.989 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.220 -11.194 5.050 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.189 -12.144 4.336 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.099 -11.972 2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.097 -9.597 2.749 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.246 -10.355 3.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.124 -10.847 1.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.206 -12.248 2.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.613 -11.035 1.040 1.00 0.00 H new ATOM 1243 N ARG A 85 -3.988 -7.333 3.140 1.00 0.00 N ATOM 1244 CA ARG A 85 -4.526 -6.178 2.432 1.00 0.00 C ATOM 1245 C ARG A 85 -3.628 -5.790 1.261 1.00 0.00 C ATOM 1246 O ARG A 85 -2.425 -6.055 1.274 1.00 0.00 O ATOM 1247 CB ARG A 85 -4.677 -4.992 3.387 1.00 0.00 C ATOM 1248 CG ARG A 85 -5.401 -3.804 2.774 1.00 0.00 C ATOM 1249 CD ARG A 85 -4.427 -2.833 2.125 1.00 0.00 C ATOM 1250 NE ARG A 85 -3.709 -2.035 3.115 1.00 0.00 N ATOM 1251 CZ ARG A 85 -4.293 -1.135 3.897 1.00 0.00 C ATOM 1252 NH1 ARG A 85 -5.598 -0.919 3.805 1.00 0.00 N ATOM 1253 NH2 ARG A 85 -3.572 -0.448 4.773 1.00 0.00 N ATOM 0 H ARG A 85 -3.078 -7.176 3.573 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.507 -6.449 2.041 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.219 -5.318 4.275 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.688 -4.673 3.716 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.116 -4.156 2.030 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.972 -3.287 3.545 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -3.711 -3.388 1.519 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.970 -2.171 1.451 1.00 0.00 H new ATOM 0 HE ARG A 85 -2.703 -2.177 3.211 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.156 -1.445 3.132 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.044 -0.227 4.407 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -2.568 -0.611 4.846 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.022 0.243 5.373 1.00 0.00 H new ATOM 1267 N PHE A 86 -4.219 -5.163 0.250 1.00 0.00 N ATOM 1268 CA PHE A 86 -3.473 -4.740 -0.929 1.00 0.00 C ATOM 1269 C PHE A 86 -2.581 -3.545 -0.608 1.00 0.00 C ATOM 1270 O PHE A 86 -3.046 -2.406 -0.550 1.00 0.00 O ATOM 1271 CB PHE A 86 -4.433 -4.384 -2.066 1.00 0.00 C ATOM 1272 CG PHE A 86 -4.733 -5.537 -2.981 1.00 0.00 C ATOM 1273 CD1 PHE A 86 -3.725 -6.123 -3.731 1.00 0.00 C ATOM 1274 CD2 PHE A 86 -6.021 -6.035 -3.091 1.00 0.00 C ATOM 1275 CE1 PHE A 86 -3.999 -7.183 -4.574 1.00 0.00 C ATOM 1276 CE2 PHE A 86 -6.300 -7.095 -3.932 1.00 0.00 C ATOM 1277 CZ PHE A 86 -5.287 -7.671 -4.674 1.00 0.00 C ATOM 0 H PHE A 86 -5.213 -4.936 0.223 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.840 -5.569 -1.244 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.367 -4.016 -1.641 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.005 -3.569 -2.650 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.715 -5.747 -3.656 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.817 -5.589 -2.512 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.206 -7.630 -5.155 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.309 -7.473 -4.009 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.502 -8.501 -5.331 1.00 0.00 H new ATOM 1287 N LYS A 87 -1.296 -3.812 -0.401 1.00 0.00 N ATOM 1288 CA LYS A 87 -0.336 -2.760 -0.087 1.00 0.00 C ATOM 1289 C LYS A 87 0.397 -2.299 -1.343 1.00 0.00 C ATOM 1290 O LYS A 87 1.350 -2.940 -1.788 1.00 0.00 O ATOM 1291 CB LYS A 87 0.673 -3.255 0.952 1.00 0.00 C ATOM 1292 CG LYS A 87 1.256 -2.146 1.810 1.00 0.00 C ATOM 1293 CD LYS A 87 1.943 -2.700 3.047 1.00 0.00 C ATOM 1294 CE LYS A 87 2.897 -1.685 3.657 1.00 0.00 C ATOM 1295 NZ LYS A 87 2.207 -0.788 4.625 1.00 0.00 N ATOM 0 H LYS A 87 -0.895 -4.749 -0.445 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.885 -1.913 0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.187 -3.986 1.599 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.485 -3.772 0.440 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.971 -1.569 1.224 1.00 0.00 H new ATOM 0 HG3 LYS A 87 0.463 -1.461 2.109 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.192 -2.984 3.785 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.492 -3.605 2.785 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.709 -2.208 4.162 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.347 -1.087 2.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.891 -0.111 5.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.448 -0.270 4.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.800 -1.356 5.395 1.00 0.00 H new ATOM 1309 N LEU A 88 -0.053 -1.185 -1.910 1.00 0.00 N ATOM 1310 CA LEU A 88 0.562 -0.638 -3.114 1.00 0.00 C ATOM 1311 C LEU A 88 1.044 0.790 -2.879 1.00 0.00 C ATOM 1312 O LEU A 88 0.490 1.515 -2.054 1.00 0.00 O ATOM 1313 CB LEU A 88 -0.433 -0.667 -4.276 1.00 0.00 C ATOM 1314 CG LEU A 88 -1.213 -1.969 -4.459 1.00 0.00 C ATOM 1315 CD1 LEU A 88 -2.195 -1.845 -5.614 1.00 0.00 C ATOM 1316 CD2 LEU A 88 -0.261 -3.133 -4.689 1.00 0.00 C ATOM 0 H LEU A 88 -0.841 -0.643 -1.555 1.00 0.00 H new ATOM 0 HA LEU A 88 1.424 -1.256 -3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.147 0.145 -4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.110 -0.459 -5.198 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.778 -2.163 -3.547 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.741 -2.781 -5.729 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.898 -1.038 -5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.650 -1.627 -6.533 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.834 -4.052 -4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.332 -2.947 -5.585 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.402 -3.236 -3.830 1.00 0.00 H new ATOM 1328 N ASN A 89 2.080 1.188 -3.611 1.00 0.00 N ATOM 1329 CA ASN A 89 2.636 2.530 -3.483 1.00 0.00 C ATOM 1330 C ASN A 89 3.352 2.946 -4.764 1.00 0.00 C ATOM 1331 O ASN A 89 3.616 2.119 -5.637 1.00 0.00 O ATOM 1332 CB ASN A 89 3.605 2.592 -2.301 1.00 0.00 C ATOM 1333 CG ASN A 89 2.903 2.901 -0.993 1.00 0.00 C ATOM 1334 OD1 ASN A 89 2.644 4.181 -0.749 1.00 0.00 O flip ATOM 1335 ND2 ASN A 89 2.596 2.001 -0.212 1.00 0.00 N flip ATOM 0 H ASN A 89 2.551 0.600 -4.299 1.00 0.00 H new ATOM 0 HA ASN A 89 1.813 3.222 -3.306 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.128 1.640 -2.213 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.360 3.354 -2.494 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.814 1.031 -0.440 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.123 2.225 0.664 1.00 0.00 H new ATOM 1342 N TYR A 90 3.664 4.233 -4.869 1.00 0.00 N ATOM 1343 CA TYR A 90 4.348 4.761 -6.044 1.00 0.00 C ATOM 1344 C TYR A 90 5.743 4.158 -6.178 1.00 0.00 C ATOM 1345 O TYR A 90 6.497 4.087 -5.208 1.00 0.00 O ATOM 1346 CB TYR A 90 4.444 6.285 -5.962 1.00 0.00 C ATOM 1347 CG TYR A 90 3.166 6.994 -6.349 1.00 0.00 C ATOM 1348 CD1 TYR A 90 2.447 6.608 -7.473 1.00 0.00 C ATOM 1349 CD2 TYR A 90 2.677 8.050 -5.590 1.00 0.00 C ATOM 1350 CE1 TYR A 90 1.278 7.253 -7.831 1.00 0.00 C ATOM 1351 CE2 TYR A 90 1.509 8.700 -5.938 1.00 0.00 C ATOM 1352 CZ TYR A 90 0.813 8.298 -7.060 1.00 0.00 C ATOM 1353 OH TYR A 90 -0.350 8.944 -7.411 1.00 0.00 O ATOM 0 H TYR A 90 3.454 4.930 -4.155 1.00 0.00 H new ATOM 0 HA TYR A 90 3.768 4.488 -6.925 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.714 6.569 -4.945 1.00 0.00 H new ATOM 0 HB3 TYR A 90 5.250 6.625 -6.612 1.00 0.00 H new ATOM 0 HD1 TYR A 90 2.808 5.789 -8.078 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.220 8.368 -4.712 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.732 6.941 -8.709 1.00 0.00 H new ATOM 0 HE2 TYR A 90 1.142 9.518 -5.336 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.538 9.655 -6.763 1.00 0.00 H new ATOM 1363 N ALA A 91 6.080 3.727 -7.389 1.00 0.00 N ATOM 1364 CA ALA A 91 7.384 3.133 -7.653 1.00 0.00 C ATOM 1365 C ALA A 91 8.499 3.945 -7.002 1.00 0.00 C ATOM 1366 O ALA A 91 9.582 3.426 -6.729 1.00 0.00 O ATOM 1367 CB ALA A 91 7.619 3.019 -9.152 1.00 0.00 C ATOM 0 H ALA A 91 5.467 3.778 -8.203 1.00 0.00 H new ATOM 0 HA ALA A 91 7.395 2.134 -7.217 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.597 2.574 -9.334 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.846 2.391 -9.595 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.583 4.011 -9.602 1.00 0.00 H new