USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 499 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 12 SER OG : rot -21:sc= 0.0866 USER MOD Set 1.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -135:sc= 1.17 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 22:sc= 0.261 USER MOD Single : A 26 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0176) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.324 X(o=-0.32,f=-0.21) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc=-0.00922 (180deg=-0.00922) USER MOD Single : A 35 ASN : amide:sc= -4.37! C(o=-4.4!,f=-20!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00579) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.669 K(o=-0.67,f=-1.5) USER MOD Single : A 53 TYR OH : rot 30:sc= -0.112 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -75:sc= 1.41 USER MOD Single : A 61 SER OG : rot 40:sc= 1.21 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -178:sc= 2.23 (180deg=2.17) USER MOD ----------------------------------------------------------------- ATOM 45 N SER A 5 -10.468 -3.615 4.314 1.00 0.00 N ATOM 46 CA SER A 5 -9.916 -2.330 3.914 1.00 0.00 C ATOM 47 C SER A 5 -9.113 -1.730 5.072 1.00 0.00 C ATOM 48 O SER A 5 -9.292 -2.116 6.229 1.00 0.00 O ATOM 49 CB SER A 5 -11.045 -1.406 3.450 1.00 0.00 C ATOM 50 OG SER A 5 -10.550 -0.247 2.819 1.00 0.00 O ATOM 0 HA SER A 5 -9.233 -2.459 3.075 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.695 -1.945 2.761 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.656 -1.120 4.307 1.00 0.00 H new ATOM 0 HG SER A 5 -11.034 0.538 3.151 1.00 0.00 H new ATOM 56 N ARG A 6 -8.178 -0.847 4.769 1.00 0.00 N ATOM 57 CA ARG A 6 -7.335 -0.266 5.806 1.00 0.00 C ATOM 58 C ARG A 6 -6.841 1.108 5.415 1.00 0.00 C ATOM 59 O ARG A 6 -7.047 1.557 4.295 1.00 0.00 O ATOM 60 CB ARG A 6 -6.147 -1.178 6.102 1.00 0.00 C ATOM 61 CG ARG A 6 -5.517 -1.746 4.850 1.00 0.00 C ATOM 62 CD ARG A 6 -5.553 -3.267 4.850 1.00 0.00 C ATOM 63 NE ARG A 6 -6.812 -3.796 5.386 1.00 0.00 N ATOM 64 CZ ARG A 6 -7.325 -4.986 5.068 1.00 0.00 C ATOM 65 NH1 ARG A 6 -6.739 -5.750 4.158 1.00 0.00 N ATOM 66 NH2 ARG A 6 -8.443 -5.405 5.652 1.00 0.00 N ATOM 0 H ARG A 6 -7.982 -0.517 3.824 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.944 -0.165 6.704 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.396 -0.619 6.659 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.475 -1.997 6.742 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.043 -1.368 3.973 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.484 -1.405 4.774 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.413 -3.631 3.832 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.721 -3.648 5.442 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.330 -3.215 6.046 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.889 -5.430 3.694 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -7.138 -6.658 3.921 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.909 -4.817 6.343 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.835 -6.315 5.409 1.00 0.00 H new ATOM 80 N LEU A 7 -6.171 1.748 6.354 1.00 0.00 N ATOM 81 CA LEU A 7 -5.721 3.120 6.193 1.00 0.00 C ATOM 82 C LEU A 7 -4.282 3.146 5.686 1.00 0.00 C ATOM 83 O LEU A 7 -3.342 2.884 6.436 1.00 0.00 O ATOM 84 CB LEU A 7 -5.851 3.855 7.538 1.00 0.00 C ATOM 85 CG LEU A 7 -5.873 5.393 7.491 1.00 0.00 C ATOM 86 CD1 LEU A 7 -4.512 5.960 7.126 1.00 0.00 C ATOM 87 CD2 LEU A 7 -6.937 5.882 6.519 1.00 0.00 C ATOM 0 H LEU A 7 -5.922 1.332 7.252 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.341 3.628 5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.767 3.517 8.022 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.022 3.547 8.175 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.122 5.752 8.490 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.566 7.048 7.102 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.777 5.649 7.869 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.215 5.590 6.145 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.938 6.972 6.499 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.721 5.501 5.521 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.915 5.524 6.840 1.00 0.00 H new ATOM 99 N TRP A 8 -4.130 3.454 4.408 1.00 0.00 N ATOM 100 CA TRP A 8 -2.824 3.552 3.774 1.00 0.00 C ATOM 101 C TRP A 8 -2.325 4.988 3.825 1.00 0.00 C ATOM 102 O TRP A 8 -3.115 5.925 3.714 1.00 0.00 O ATOM 103 CB TRP A 8 -2.900 3.101 2.312 1.00 0.00 C ATOM 104 CG TRP A 8 -3.377 1.694 2.133 1.00 0.00 C ATOM 105 CD1 TRP A 8 -4.662 1.251 2.201 1.00 0.00 C ATOM 106 CD2 TRP A 8 -2.572 0.552 1.837 1.00 0.00 C ATOM 107 NE1 TRP A 8 -4.708 -0.102 1.980 1.00 0.00 N ATOM 108 CE2 TRP A 8 -3.436 -0.555 1.752 1.00 0.00 C ATOM 109 CE3 TRP A 8 -1.203 0.357 1.640 1.00 0.00 C ATOM 110 CZ2 TRP A 8 -2.974 -1.839 1.476 1.00 0.00 C ATOM 111 CZ3 TRP A 8 -0.746 -0.916 1.363 1.00 0.00 C ATOM 112 CH2 TRP A 8 -1.629 -1.999 1.285 1.00 0.00 C ATOM 0 H TRP A 8 -4.910 3.644 3.779 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.134 2.903 4.314 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.567 3.772 1.770 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.913 3.199 1.860 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.521 1.874 2.400 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.551 -0.676 1.985 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.515 1.187 1.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.652 -2.677 1.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.310 -1.079 1.204 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.240 -2.983 1.069 1.00 0.00 H new ATOM 123 N VAL A 9 -1.027 5.157 4.001 1.00 0.00 N ATOM 124 CA VAL A 9 -0.418 6.481 3.996 1.00 0.00 C ATOM 125 C VAL A 9 0.762 6.501 3.032 1.00 0.00 C ATOM 126 O VAL A 9 1.468 5.503 2.896 1.00 0.00 O ATOM 127 CB VAL A 9 0.077 6.887 5.406 1.00 0.00 C ATOM 128 CG1 VAL A 9 0.628 8.306 5.403 1.00 0.00 C ATOM 129 CG2 VAL A 9 -1.034 6.757 6.433 1.00 0.00 C ATOM 0 H VAL A 9 -0.369 4.392 4.150 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.179 7.194 3.679 1.00 0.00 H new ATOM 0 HB VAL A 9 0.881 6.205 5.682 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.969 8.566 6.405 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.465 8.370 4.707 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.154 8.999 5.094 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.659 7.048 7.414 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.864 7.406 6.155 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.378 5.723 6.468 1.00 0.00 H new ATOM 139 N ASP A 10 0.960 7.613 2.337 1.00 0.00 N ATOM 140 CA ASP A 10 2.142 7.758 1.494 1.00 0.00 C ATOM 141 C ASP A 10 3.282 8.357 2.311 1.00 0.00 C ATOM 142 O ASP A 10 3.060 8.976 3.351 1.00 0.00 O ATOM 143 CB ASP A 10 1.850 8.624 0.266 1.00 0.00 C ATOM 144 CG ASP A 10 1.953 10.107 0.542 1.00 0.00 C ATOM 145 OD1 ASP A 10 1.010 10.676 1.116 1.00 0.00 O ATOM 146 OD2 ASP A 10 2.978 10.708 0.171 1.00 0.00 O ATOM 0 H ASP A 10 0.331 8.416 2.338 1.00 0.00 H new ATOM 0 HA ASP A 10 2.433 6.770 1.136 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.547 8.360 -0.530 1.00 0.00 H new ATOM 0 HB3 ASP A 10 0.848 8.398 -0.099 1.00 0.00 H new ATOM 151 N ARG A 11 4.506 8.173 1.823 1.00 0.00 N ATOM 152 CA ARG A 11 5.705 8.498 2.591 1.00 0.00 C ATOM 153 C ARG A 11 5.883 10.004 2.742 1.00 0.00 C ATOM 154 O ARG A 11 6.573 10.467 3.650 1.00 0.00 O ATOM 155 CB ARG A 11 6.934 7.867 1.929 1.00 0.00 C ATOM 156 CG ARG A 11 8.201 7.939 2.772 1.00 0.00 C ATOM 157 CD ARG A 11 9.095 9.091 2.341 1.00 0.00 C ATOM 158 NE ARG A 11 9.600 8.907 0.981 1.00 0.00 N ATOM 159 CZ ARG A 11 10.354 9.795 0.330 1.00 0.00 C ATOM 160 NH1 ARG A 11 10.643 10.967 0.880 1.00 0.00 N ATOM 161 NH2 ARG A 11 10.815 9.512 -0.881 1.00 0.00 N ATOM 0 H ARG A 11 4.694 7.798 0.893 1.00 0.00 H new ATOM 0 HA ARG A 11 5.591 8.085 3.593 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.717 6.822 1.707 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.116 8.364 0.976 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.934 8.058 3.822 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.749 7.001 2.687 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.537 10.025 2.398 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.934 9.178 3.032 1.00 0.00 H new ATOM 0 HE ARG A 11 9.360 8.042 0.497 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.288 11.196 1.808 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.220 11.639 0.374 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.593 8.616 -1.315 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.391 10.191 -1.379 1.00 0.00 H new ATOM 175 N SER A 12 5.253 10.766 1.867 1.00 0.00 N ATOM 176 CA SER A 12 5.330 12.212 1.941 1.00 0.00 C ATOM 177 C SER A 12 4.322 12.732 2.966 1.00 0.00 C ATOM 178 O SER A 12 4.372 13.894 3.381 1.00 0.00 O ATOM 179 CB SER A 12 5.083 12.838 0.561 1.00 0.00 C ATOM 180 OG SER A 12 5.271 14.245 0.586 1.00 0.00 O ATOM 0 H SER A 12 4.684 10.409 1.099 1.00 0.00 H new ATOM 0 HA SER A 12 6.332 12.498 2.261 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.760 12.392 -0.168 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.068 12.611 0.234 1.00 0.00 H new ATOM 0 HG SER A 12 5.187 14.570 1.507 1.00 0.00 H new ATOM 186 N GLY A 13 3.415 11.850 3.380 1.00 0.00 N ATOM 187 CA GLY A 13 2.424 12.203 4.373 1.00 0.00 C ATOM 188 C GLY A 13 1.357 13.110 3.807 1.00 0.00 C ATOM 189 O GLY A 13 0.793 13.937 4.524 1.00 0.00 O ATOM 0 H GLY A 13 3.352 10.890 3.040 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.961 11.296 4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.912 12.697 5.213 1.00 0.00 H new ATOM 193 N THR A 14 1.078 12.952 2.522 1.00 0.00 N ATOM 194 CA THR A 14 0.124 13.801 1.835 1.00 0.00 C ATOM 195 C THR A 14 -1.266 13.170 1.832 1.00 0.00 C ATOM 196 O THR A 14 -2.261 13.848 2.107 1.00 0.00 O ATOM 197 CB THR A 14 0.573 14.077 0.383 1.00 0.00 C ATOM 198 OG1 THR A 14 1.842 14.751 0.385 1.00 0.00 O ATOM 199 CG2 THR A 14 -0.450 14.930 -0.357 1.00 0.00 C ATOM 0 H THR A 14 1.504 12.237 1.932 1.00 0.00 H new ATOM 0 HA THR A 14 0.080 14.747 2.375 1.00 0.00 H new ATOM 0 HB THR A 14 0.662 13.120 -0.130 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.123 14.922 -0.538 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.107 15.108 -1.376 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.407 14.410 -0.382 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.569 15.884 0.157 1.00 0.00 H new ATOM 207 N PHE A 15 -1.346 11.876 1.546 1.00 0.00 N ATOM 208 CA PHE A 15 -2.640 11.219 1.484 1.00 0.00 C ATOM 209 C PHE A 15 -2.715 9.978 2.353 1.00 0.00 C ATOM 210 O PHE A 15 -1.822 9.127 2.353 1.00 0.00 O ATOM 211 CB PHE A 15 -3.062 10.900 0.039 1.00 0.00 C ATOM 212 CG PHE A 15 -2.056 10.147 -0.796 1.00 0.00 C ATOM 213 CD1 PHE A 15 -1.992 8.757 -0.771 1.00 0.00 C ATOM 214 CD2 PHE A 15 -1.199 10.834 -1.640 1.00 0.00 C ATOM 215 CE1 PHE A 15 -1.095 8.077 -1.569 1.00 0.00 C ATOM 216 CE2 PHE A 15 -0.295 10.156 -2.435 1.00 0.00 C ATOM 217 CZ PHE A 15 -0.245 8.777 -2.401 1.00 0.00 C ATOM 0 H PHE A 15 -0.545 11.273 1.357 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.352 11.938 1.890 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.984 10.320 0.071 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.293 11.838 -0.466 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -2.652 8.204 -0.119 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.238 11.913 -1.677 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.058 6.998 -1.543 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.372 10.705 -3.083 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.459 8.246 -3.025 1.00 0.00 H new ATOM 227 N LYS A 16 -3.789 9.919 3.122 1.00 0.00 N ATOM 228 CA LYS A 16 -4.148 8.739 3.877 1.00 0.00 C ATOM 229 C LYS A 16 -5.480 8.236 3.342 1.00 0.00 C ATOM 230 O LYS A 16 -6.426 9.015 3.201 1.00 0.00 O ATOM 231 CB LYS A 16 -4.278 9.071 5.364 1.00 0.00 C ATOM 232 CG LYS A 16 -3.086 9.815 5.942 1.00 0.00 C ATOM 233 CD LYS A 16 -3.324 10.192 7.395 1.00 0.00 C ATOM 234 CE LYS A 16 -2.193 11.043 7.945 1.00 0.00 C ATOM 235 NZ LYS A 16 -2.430 11.427 9.362 1.00 0.00 N ATOM 0 H LYS A 16 -4.439 10.697 3.238 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.376 7.977 3.770 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.175 9.672 5.514 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.419 8.145 5.921 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.194 9.193 5.867 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.897 10.715 5.357 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.264 10.736 7.481 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.424 9.287 7.994 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.255 10.494 7.869 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.086 11.942 7.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.637 12.007 9.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.312 11.973 9.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.507 10.570 9.946 1.00 0.00 H new ATOM 249 N VAL A 17 -5.573 6.956 3.043 1.00 0.00 N ATOM 250 CA VAL A 17 -6.771 6.428 2.403 1.00 0.00 C ATOM 251 C VAL A 17 -7.171 5.075 2.939 1.00 0.00 C ATOM 252 O VAL A 17 -6.330 4.249 3.267 1.00 0.00 O ATOM 253 CB VAL A 17 -6.611 6.311 0.877 1.00 0.00 C ATOM 254 CG1 VAL A 17 -7.046 7.599 0.213 1.00 0.00 C ATOM 255 CG2 VAL A 17 -5.179 5.960 0.500 1.00 0.00 C ATOM 0 H VAL A 17 -4.845 6.266 3.228 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.553 7.150 2.637 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.249 5.502 0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.930 7.509 -0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.091 7.796 0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.430 8.422 0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.096 5.884 -0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.506 6.738 0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.907 5.006 0.952 1.00 0.00 H new ATOM 265 N ASP A 18 -8.469 4.860 3.010 1.00 0.00 N ATOM 266 CA ASP A 18 -9.004 3.564 3.399 1.00 0.00 C ATOM 267 C ASP A 18 -9.297 2.755 2.158 1.00 0.00 C ATOM 268 O ASP A 18 -10.154 3.115 1.344 1.00 0.00 O ATOM 269 CB ASP A 18 -10.262 3.714 4.238 1.00 0.00 C ATOM 270 CG ASP A 18 -10.754 2.405 4.834 1.00 0.00 C ATOM 271 OD1 ASP A 18 -11.560 1.712 4.183 1.00 0.00 O ATOM 272 OD2 ASP A 18 -10.364 2.082 5.979 1.00 0.00 O ATOM 0 H ASP A 18 -9.177 5.565 2.804 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.261 3.049 4.009 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.069 4.421 5.045 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.052 4.142 3.621 1.00 0.00 H new ATOM 277 N ALA A 19 -8.567 1.677 2.023 1.00 0.00 N ATOM 278 CA ALA A 19 -8.593 0.868 0.809 1.00 0.00 C ATOM 279 C ALA A 19 -8.046 -0.538 1.049 1.00 0.00 C ATOM 280 O ALA A 19 -7.372 -0.797 2.049 1.00 0.00 O ATOM 281 CB ALA A 19 -7.792 1.555 -0.285 1.00 0.00 C ATOM 0 H ALA A 19 -7.936 1.327 2.744 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.633 0.769 0.499 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.815 0.947 -1.189 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.226 2.533 -0.494 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.760 1.679 0.043 1.00 0.00 H new ATOM 287 N GLU A 20 -8.355 -1.442 0.128 1.00 0.00 N ATOM 288 CA GLU A 20 -7.846 -2.809 0.172 1.00 0.00 C ATOM 289 C GLU A 20 -6.806 -3.041 -0.900 1.00 0.00 C ATOM 290 O GLU A 20 -6.976 -2.608 -2.041 1.00 0.00 O ATOM 291 CB GLU A 20 -8.982 -3.804 -0.022 1.00 0.00 C ATOM 292 CG GLU A 20 -9.641 -4.201 1.272 1.00 0.00 C ATOM 293 CD GLU A 20 -9.081 -5.477 1.866 1.00 0.00 C ATOM 294 OE1 GLU A 20 -8.123 -6.043 1.296 1.00 0.00 O ATOM 295 OE2 GLU A 20 -9.605 -5.925 2.909 1.00 0.00 O ATOM 0 H GLU A 20 -8.963 -1.250 -0.668 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.387 -2.955 1.150 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.729 -3.369 -0.686 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.597 -4.696 -0.516 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.525 -3.392 1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.710 -4.327 1.103 1.00 0.00 H new ATOM 302 N PHE A 21 -5.739 -3.736 -0.538 1.00 0.00 N ATOM 303 CA PHE A 21 -4.727 -4.120 -1.518 1.00 0.00 C ATOM 304 C PHE A 21 -5.229 -5.322 -2.293 1.00 0.00 C ATOM 305 O PHE A 21 -5.527 -6.373 -1.720 1.00 0.00 O ATOM 306 CB PHE A 21 -3.346 -4.401 -0.880 1.00 0.00 C ATOM 307 CG PHE A 21 -2.473 -5.325 -1.703 1.00 0.00 C ATOM 308 CD1 PHE A 21 -1.633 -4.834 -2.693 1.00 0.00 C ATOM 309 CD2 PHE A 21 -2.507 -6.694 -1.489 1.00 0.00 C ATOM 310 CE1 PHE A 21 -0.853 -5.687 -3.442 1.00 0.00 C ATOM 311 CE2 PHE A 21 -1.728 -7.550 -2.240 1.00 0.00 C ATOM 312 CZ PHE A 21 -0.901 -7.045 -3.219 1.00 0.00 C ATOM 0 H PHE A 21 -5.549 -4.044 0.416 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.572 -3.279 -2.194 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.823 -3.456 -0.735 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.494 -4.839 0.107 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.591 -3.771 -2.878 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.153 -7.097 -0.723 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.202 -5.290 -4.206 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.767 -8.614 -2.061 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.292 -7.713 -3.810 1.00 0.00 H new ATOM 322 N ILE A 22 -5.346 -5.151 -3.594 1.00 0.00 N ATOM 323 CA ILE A 22 -5.922 -6.172 -4.444 1.00 0.00 C ATOM 324 C ILE A 22 -4.840 -6.878 -5.245 1.00 0.00 C ATOM 325 O ILE A 22 -4.856 -8.103 -5.402 1.00 0.00 O ATOM 326 CB ILE A 22 -6.941 -5.552 -5.423 1.00 0.00 C ATOM 327 CG1 ILE A 22 -7.394 -4.176 -4.933 1.00 0.00 C ATOM 328 CG2 ILE A 22 -8.148 -6.460 -5.574 1.00 0.00 C ATOM 329 CD1 ILE A 22 -8.287 -3.453 -5.916 1.00 0.00 C ATOM 0 H ILE A 22 -5.048 -4.310 -4.088 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.426 -6.893 -3.800 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.453 -5.439 -6.391 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.925 -4.292 -3.988 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.516 -3.563 -4.732 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.858 -6.009 -6.268 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.829 -7.428 -5.960 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.625 -6.595 -4.603 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.571 -2.484 -5.505 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.752 -3.306 -6.854 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.183 -4.047 -6.098 1.00 0.00 H new ATOM 341 N GLY A 23 -3.905 -6.098 -5.751 1.00 0.00 N ATOM 342 CA GLY A 23 -2.841 -6.648 -6.554 1.00 0.00 C ATOM 343 C GLY A 23 -1.700 -5.673 -6.719 1.00 0.00 C ATOM 344 O GLY A 23 -1.920 -4.467 -6.838 1.00 0.00 O ATOM 0 H GLY A 23 -3.864 -5.087 -5.619 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.472 -7.563 -6.091 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.230 -6.921 -7.535 1.00 0.00 H new ATOM 348 N CYS A 24 -0.488 -6.189 -6.704 1.00 0.00 N ATOM 349 CA CYS A 24 0.692 -5.367 -6.876 1.00 0.00 C ATOM 350 C CYS A 24 1.241 -5.580 -8.286 1.00 0.00 C ATOM 351 O CYS A 24 1.489 -6.718 -8.691 1.00 0.00 O ATOM 352 CB CYS A 24 1.733 -5.722 -5.807 1.00 0.00 C ATOM 353 SG CYS A 24 2.430 -7.386 -5.962 1.00 0.00 S ATOM 0 H CYS A 24 -0.294 -7.182 -6.573 1.00 0.00 H new ATOM 0 HA CYS A 24 0.441 -4.313 -6.756 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.545 -4.996 -5.853 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.273 -5.624 -4.824 1.00 0.00 H new ATOM 0 HG CYS A 24 2.277 -7.809 -7.182 1.00 0.00 H new ATOM 359 N ALA A 25 1.418 -4.504 -9.040 1.00 0.00 N ATOM 360 CA ALA A 25 1.776 -4.625 -10.445 1.00 0.00 C ATOM 361 C ALA A 25 3.037 -3.842 -10.757 1.00 0.00 C ATOM 362 O ALA A 25 3.051 -2.614 -10.645 1.00 0.00 O ATOM 363 CB ALA A 25 0.627 -4.154 -11.322 1.00 0.00 C ATOM 0 H ALA A 25 1.320 -3.545 -8.705 1.00 0.00 H new ATOM 0 HA ALA A 25 1.973 -5.676 -10.657 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.907 -4.249 -12.371 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.255 -4.764 -11.125 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.404 -3.111 -11.100 1.00 0.00 H new ATOM 369 N LYS A 26 4.086 -4.570 -11.143 1.00 0.00 N ATOM 370 CA LYS A 26 5.381 -3.989 -11.499 1.00 0.00 C ATOM 371 C LYS A 26 6.041 -3.335 -10.288 1.00 0.00 C ATOM 372 O LYS A 26 6.960 -3.898 -9.697 1.00 0.00 O ATOM 373 CB LYS A 26 5.244 -2.988 -12.659 1.00 0.00 C ATOM 374 CG LYS A 26 5.114 -3.633 -14.040 1.00 0.00 C ATOM 375 CD LYS A 26 3.908 -4.560 -14.140 1.00 0.00 C ATOM 376 CE LYS A 26 3.795 -5.209 -15.513 1.00 0.00 C ATOM 377 NZ LYS A 26 3.419 -4.229 -16.562 1.00 0.00 N ATOM 0 H LYS A 26 4.060 -5.587 -11.218 1.00 0.00 H new ATOM 0 HA LYS A 26 6.026 -4.801 -11.835 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.370 -2.362 -12.481 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.113 -2.330 -12.659 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.032 -2.852 -14.796 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.021 -4.196 -14.261 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.984 -5.336 -13.378 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.999 -3.996 -13.931 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.746 -5.673 -15.774 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.051 -6.005 -15.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.270 -4.726 -17.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.542 -3.744 -16.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.181 -3.530 -16.673 1.00 0.00 H new ATOM 391 N GLY A 27 5.562 -2.162 -9.916 1.00 0.00 N ATOM 392 CA GLY A 27 6.083 -1.488 -8.751 1.00 0.00 C ATOM 393 C GLY A 27 5.020 -0.676 -8.045 1.00 0.00 C ATOM 394 O GLY A 27 5.331 0.220 -7.260 1.00 0.00 O ATOM 0 H GLY A 27 4.818 -1.663 -10.403 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.496 -2.224 -8.061 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.903 -0.833 -9.047 1.00 0.00 H new ATOM 398 N LYS A 28 3.757 -0.976 -8.326 1.00 0.00 N ATOM 399 CA LYS A 28 2.658 -0.240 -7.720 1.00 0.00 C ATOM 400 C LYS A 28 1.683 -1.168 -7.030 1.00 0.00 C ATOM 401 O LYS A 28 1.696 -2.381 -7.235 1.00 0.00 O ATOM 402 CB LYS A 28 1.894 0.576 -8.755 1.00 0.00 C ATOM 403 CG LYS A 28 2.765 1.473 -9.599 1.00 0.00 C ATOM 404 CD LYS A 28 1.928 2.533 -10.287 1.00 0.00 C ATOM 405 CE LYS A 28 2.751 3.366 -11.251 1.00 0.00 C ATOM 406 NZ LYS A 28 1.918 4.343 -11.995 1.00 0.00 N ATOM 0 H LYS A 28 3.472 -1.718 -8.965 1.00 0.00 H new ATOM 0 HA LYS A 28 3.106 0.430 -6.986 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.351 -0.105 -9.410 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.150 1.187 -8.243 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.521 1.948 -8.974 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.294 0.879 -10.344 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.110 2.056 -10.827 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.478 3.184 -9.537 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.527 3.897 -10.700 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.256 2.708 -11.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.520 4.891 -12.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.193 3.836 -12.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.456 4.988 -11.323 1.00 0.00 H new ATOM 420 N ILE A 29 0.824 -0.570 -6.230 1.00 0.00 N ATOM 421 CA ILE A 29 -0.178 -1.289 -5.478 1.00 0.00 C ATOM 422 C ILE A 29 -1.568 -0.857 -5.925 1.00 0.00 C ATOM 423 O ILE A 29 -1.871 0.335 -5.965 1.00 0.00 O ATOM 424 CB ILE A 29 -0.006 -0.999 -3.977 1.00 0.00 C ATOM 425 CG1 ILE A 29 1.376 -1.460 -3.513 1.00 0.00 C ATOM 426 CG2 ILE A 29 -1.097 -1.671 -3.162 1.00 0.00 C ATOM 427 CD1 ILE A 29 1.798 -0.869 -2.192 1.00 0.00 C ATOM 0 H ILE A 29 0.804 0.439 -6.084 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.060 -2.358 -5.656 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.091 0.076 -3.821 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.379 -2.547 -3.433 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.112 -1.194 -4.272 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.951 -1.449 -2.105 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.071 -1.298 -3.480 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.054 -2.749 -3.316 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.788 -1.241 -1.927 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.828 0.218 -2.273 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.084 -1.156 -1.420 1.00 0.00 H new ATOM 439 N HIS A 30 -2.400 -1.815 -6.294 1.00 0.00 N ATOM 440 CA HIS A 30 -3.768 -1.504 -6.668 1.00 0.00 C ATOM 441 C HIS A 30 -4.652 -1.596 -5.444 1.00 0.00 C ATOM 442 O HIS A 30 -4.646 -2.607 -4.738 1.00 0.00 O ATOM 443 CB HIS A 30 -4.292 -2.445 -7.756 1.00 0.00 C ATOM 444 CG HIS A 30 -3.501 -2.393 -9.035 1.00 0.00 C ATOM 445 ND1 HIS A 30 -3.881 -3.044 -10.187 1.00 0.00 N ATOM 446 CD2 HIS A 30 -2.349 -1.749 -9.340 1.00 0.00 C ATOM 447 CE1 HIS A 30 -3.000 -2.804 -11.139 1.00 0.00 C ATOM 448 NE2 HIS A 30 -2.062 -2.019 -10.651 1.00 0.00 N ATOM 0 H HIS A 30 -2.156 -2.804 -6.343 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.786 -0.492 -7.073 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.283 -3.466 -7.375 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -5.331 -2.194 -7.971 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -1.764 -1.135 -8.671 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -3.041 -3.187 -12.148 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -1.254 -1.669 -11.166 1.00 0.00 H new ATOM 457 N LEU A 31 -5.401 -0.542 -5.199 1.00 0.00 N ATOM 458 CA LEU A 31 -6.254 -0.465 -4.025 1.00 0.00 C ATOM 459 C LEU A 31 -7.699 -0.274 -4.432 1.00 0.00 C ATOM 460 O LEU A 31 -8.002 0.459 -5.374 1.00 0.00 O ATOM 461 CB LEU A 31 -5.870 0.702 -3.098 1.00 0.00 C ATOM 462 CG LEU A 31 -4.558 0.592 -2.315 1.00 0.00 C ATOM 463 CD1 LEU A 31 -4.363 -0.802 -1.757 1.00 0.00 C ATOM 464 CD2 LEU A 31 -3.382 1.003 -3.165 1.00 0.00 C ATOM 0 H LEU A 31 -5.438 0.281 -5.800 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.120 -1.405 -3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.824 1.608 -3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.678 0.838 -2.379 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.620 1.280 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.423 -0.846 -1.207 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.187 -1.044 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.338 -1.521 -2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.464 0.915 -2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.321 0.355 -4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.510 2.036 -3.487 1.00 0.00 H new ATOM 476 N HIS A 32 -8.582 -0.938 -3.723 1.00 0.00 N ATOM 477 CA HIS A 32 -10.001 -0.684 -3.851 1.00 0.00 C ATOM 478 C HIS A 32 -10.454 0.117 -2.640 1.00 0.00 C ATOM 479 O HIS A 32 -10.608 -0.431 -1.548 1.00 0.00 O ATOM 480 CB HIS A 32 -10.788 -1.996 -3.982 1.00 0.00 C ATOM 481 CG HIS A 32 -12.278 -1.814 -3.964 1.00 0.00 C ATOM 482 ND1 HIS A 32 -13.113 -2.547 -3.151 1.00 0.00 N ATOM 483 CD2 HIS A 32 -13.082 -0.972 -4.661 1.00 0.00 C ATOM 484 CE1 HIS A 32 -14.361 -2.167 -3.345 1.00 0.00 C ATOM 485 NE2 HIS A 32 -14.371 -1.213 -4.255 1.00 0.00 N ATOM 0 H HIS A 32 -8.342 -1.663 -3.047 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.194 -0.112 -4.759 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.503 -2.488 -4.912 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.503 -2.662 -3.168 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -12.767 -0.248 -5.397 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -15.228 -2.569 -2.843 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -15.201 -0.732 -4.601 1.00 0.00 H new ATOM 494 N LYS A 33 -10.616 1.419 -2.834 1.00 0.00 N ATOM 495 CA LYS A 33 -10.964 2.319 -1.752 1.00 0.00 C ATOM 496 C LYS A 33 -12.375 2.059 -1.255 1.00 0.00 C ATOM 497 O LYS A 33 -13.229 1.562 -1.993 1.00 0.00 O ATOM 498 CB LYS A 33 -10.857 3.759 -2.233 1.00 0.00 C ATOM 499 CG LYS A 33 -9.548 4.063 -2.935 1.00 0.00 C ATOM 500 CD LYS A 33 -9.427 5.535 -3.271 1.00 0.00 C ATOM 501 CE LYS A 33 -9.411 6.377 -2.012 1.00 0.00 C ATOM 502 NZ LYS A 33 -9.185 7.817 -2.304 1.00 0.00 N ATOM 0 H LYS A 33 -10.510 1.875 -3.740 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.271 2.146 -0.929 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -11.683 3.970 -2.913 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.967 4.428 -1.380 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.715 3.764 -2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.479 3.473 -3.849 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.514 5.708 -3.841 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.261 5.837 -3.905 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.358 6.259 -1.486 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.628 6.016 -1.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.182 8.355 -1.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.269 7.935 -2.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.946 8.170 -2.919 1.00 0.00 H new ATOM 516 N ALA A 34 -12.604 2.419 0.002 1.00 0.00 N ATOM 517 CA ALA A 34 -13.903 2.265 0.640 1.00 0.00 C ATOM 518 C ALA A 34 -14.958 3.141 -0.021 1.00 0.00 C ATOM 519 O ALA A 34 -16.154 2.974 0.223 1.00 0.00 O ATOM 520 CB ALA A 34 -13.799 2.610 2.113 1.00 0.00 C ATOM 0 H ALA A 34 -11.892 2.827 0.608 1.00 0.00 H new ATOM 0 HA ALA A 34 -14.210 1.225 0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.775 2.493 2.584 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.082 1.944 2.593 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.465 3.642 2.222 1.00 0.00 H new ATOM 526 N ASN A 35 -14.519 4.091 -0.838 1.00 0.00 N ATOM 527 CA ASN A 35 -15.450 4.944 -1.559 1.00 0.00 C ATOM 528 C ASN A 35 -15.984 4.239 -2.804 1.00 0.00 C ATOM 529 O ASN A 35 -17.027 4.615 -3.334 1.00 0.00 O ATOM 530 CB ASN A 35 -14.824 6.301 -1.927 1.00 0.00 C ATOM 531 CG ASN A 35 -13.587 6.199 -2.800 1.00 0.00 C ATOM 532 OD1 ASN A 35 -13.379 5.217 -3.505 1.00 0.00 O ATOM 533 ND2 ASN A 35 -12.767 7.237 -2.776 1.00 0.00 N ATOM 0 H ASN A 35 -13.534 4.287 -1.015 1.00 0.00 H new ATOM 0 HA ASN A 35 -16.286 5.144 -0.889 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -15.570 6.905 -2.443 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -14.565 6.830 -1.010 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.929 7.238 -3.357 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.973 8.036 -2.177 1.00 0.00 H new ATOM 540 N GLY A 36 -15.283 3.202 -3.254 1.00 0.00 N ATOM 541 CA GLY A 36 -15.759 2.427 -4.384 1.00 0.00 C ATOM 542 C GLY A 36 -14.805 2.429 -5.565 1.00 0.00 C ATOM 543 O GLY A 36 -14.860 1.534 -6.410 1.00 0.00 O ATOM 0 H GLY A 36 -14.398 2.886 -2.858 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.926 1.399 -4.064 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.723 2.822 -4.705 1.00 0.00 H new ATOM 547 N VAL A 37 -13.925 3.415 -5.628 1.00 0.00 N ATOM 548 CA VAL A 37 -13.021 3.542 -6.763 1.00 0.00 C ATOM 549 C VAL A 37 -11.770 2.682 -6.574 1.00 0.00 C ATOM 550 O VAL A 37 -11.342 2.412 -5.448 1.00 0.00 O ATOM 551 CB VAL A 37 -12.623 5.012 -7.016 1.00 0.00 C ATOM 552 CG1 VAL A 37 -11.680 5.512 -5.946 1.00 0.00 C ATOM 553 CG2 VAL A 37 -12.002 5.178 -8.393 1.00 0.00 C ATOM 0 H VAL A 37 -13.816 4.135 -4.913 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.561 3.183 -7.639 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.532 5.613 -6.976 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.416 6.550 -6.149 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.166 5.445 -4.973 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.777 4.902 -5.943 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.731 6.222 -8.546 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.110 4.557 -8.467 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.720 4.874 -9.155 1.00 0.00 H new ATOM 563 N LYS A 38 -11.206 2.238 -7.687 1.00 0.00 N ATOM 564 CA LYS A 38 -9.999 1.431 -7.676 1.00 0.00 C ATOM 565 C LYS A 38 -8.823 2.266 -8.165 1.00 0.00 C ATOM 566 O LYS A 38 -8.871 2.853 -9.247 1.00 0.00 O ATOM 567 CB LYS A 38 -10.203 0.214 -8.570 1.00 0.00 C ATOM 568 CG LYS A 38 -9.084 -0.810 -8.537 1.00 0.00 C ATOM 569 CD LYS A 38 -9.506 -2.060 -9.292 1.00 0.00 C ATOM 570 CE LYS A 38 -8.412 -3.109 -9.323 1.00 0.00 C ATOM 571 NZ LYS A 38 -8.859 -4.346 -10.018 1.00 0.00 N ATOM 0 H LYS A 38 -11.572 2.427 -8.620 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.785 1.093 -6.662 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.132 -0.278 -8.280 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.330 0.556 -9.597 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.182 -0.391 -8.984 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.840 -1.062 -7.505 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.397 -2.481 -8.825 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.778 -1.791 -10.313 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.534 -2.705 -9.827 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.111 -3.352 -8.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.086 -5.042 -10.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.682 -4.745 -9.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.122 -4.118 -10.998 1.00 0.00 H new ATOM 585 N ILE A 39 -7.775 2.317 -7.366 1.00 0.00 N ATOM 586 CA ILE A 39 -6.639 3.187 -7.649 1.00 0.00 C ATOM 587 C ILE A 39 -5.346 2.390 -7.757 1.00 0.00 C ATOM 588 O ILE A 39 -5.302 1.201 -7.429 1.00 0.00 O ATOM 589 CB ILE A 39 -6.463 4.273 -6.556 1.00 0.00 C ATOM 590 CG1 ILE A 39 -6.030 3.643 -5.224 1.00 0.00 C ATOM 591 CG2 ILE A 39 -7.748 5.065 -6.376 1.00 0.00 C ATOM 592 CD1 ILE A 39 -5.923 4.634 -4.082 1.00 0.00 C ATOM 0 H ILE A 39 -7.682 1.766 -6.512 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.851 3.670 -8.603 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.679 4.956 -6.882 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.744 2.866 -4.952 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.065 3.155 -5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.604 5.822 -5.605 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.011 5.550 -7.316 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.552 4.392 -6.078 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.613 4.113 -3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.187 5.398 -4.331 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.892 5.104 -3.916 1.00 0.00 H new ATOM 604 N ALA A 40 -4.300 3.058 -8.213 1.00 0.00 N ATOM 605 CA ALA A 40 -2.978 2.468 -8.274 1.00 0.00 C ATOM 606 C ALA A 40 -1.973 3.405 -7.635 1.00 0.00 C ATOM 607 O ALA A 40 -1.595 4.420 -8.217 1.00 0.00 O ATOM 608 CB ALA A 40 -2.579 2.171 -9.713 1.00 0.00 C ATOM 0 H ALA A 40 -4.345 4.020 -8.549 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.993 1.525 -7.727 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.583 1.729 -9.731 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.293 1.474 -10.152 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.575 3.097 -10.288 1.00 0.00 H new ATOM 614 N VAL A 41 -1.562 3.077 -6.428 1.00 0.00 N ATOM 615 CA VAL A 41 -0.577 3.872 -5.728 1.00 0.00 C ATOM 616 C VAL A 41 0.776 3.190 -5.815 1.00 0.00 C ATOM 617 O VAL A 41 0.916 2.027 -5.440 1.00 0.00 O ATOM 618 CB VAL A 41 -0.963 4.092 -4.249 1.00 0.00 C ATOM 619 CG1 VAL A 41 0.090 4.918 -3.533 1.00 0.00 C ATOM 620 CG2 VAL A 41 -2.321 4.766 -4.147 1.00 0.00 C ATOM 0 H VAL A 41 -1.896 2.264 -5.911 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.532 4.851 -6.204 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.021 3.117 -3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.204 5.060 -2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.048 4.399 -3.572 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.183 5.889 -4.019 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.576 4.913 -3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.287 5.732 -4.651 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.076 4.137 -4.619 1.00 0.00 H new ATOM 630 N ALA A 42 1.755 3.904 -6.348 1.00 0.00 N ATOM 631 CA ALA A 42 3.094 3.364 -6.505 1.00 0.00 C ATOM 632 C ALA A 42 3.674 2.984 -5.144 1.00 0.00 C ATOM 633 O ALA A 42 3.670 3.793 -4.213 1.00 0.00 O ATOM 634 CB ALA A 42 3.984 4.370 -7.213 1.00 0.00 C ATOM 0 H ALA A 42 1.645 4.862 -6.680 1.00 0.00 H new ATOM 0 HA ALA A 42 3.044 2.463 -7.116 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.985 3.954 -7.325 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.571 4.592 -8.197 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.035 5.287 -6.626 1.00 0.00 H new ATOM 640 N ALA A 43 4.186 1.763 -5.043 1.00 0.00 N ATOM 641 CA ALA A 43 4.629 1.205 -3.765 1.00 0.00 C ATOM 642 C ALA A 43 5.919 1.850 -3.283 1.00 0.00 C ATOM 643 O ALA A 43 6.371 1.604 -2.169 1.00 0.00 O ATOM 644 CB ALA A 43 4.825 -0.298 -3.896 1.00 0.00 C ATOM 0 H ALA A 43 4.306 1.134 -5.837 1.00 0.00 H new ATOM 0 HA ALA A 43 3.855 1.414 -3.027 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.155 -0.707 -2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.883 -0.764 -4.184 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.578 -0.502 -4.657 1.00 0.00 H new ATOM 650 N ASP A 44 6.494 2.686 -4.121 1.00 0.00 N ATOM 651 CA ASP A 44 7.805 3.259 -3.850 1.00 0.00 C ATOM 652 C ASP A 44 7.700 4.658 -3.260 1.00 0.00 C ATOM 653 O ASP A 44 8.645 5.154 -2.649 1.00 0.00 O ATOM 654 CB ASP A 44 8.648 3.311 -5.118 1.00 0.00 C ATOM 655 CG ASP A 44 8.087 4.261 -6.155 1.00 0.00 C ATOM 656 OD1 ASP A 44 7.032 3.949 -6.747 1.00 0.00 O ATOM 657 OD2 ASP A 44 8.691 5.327 -6.379 1.00 0.00 O ATOM 0 H ASP A 44 6.076 2.988 -5.001 1.00 0.00 H new ATOM 0 HA ASP A 44 8.287 2.610 -3.119 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.663 3.617 -4.862 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.715 2.311 -5.546 1.00 0.00 H new ATOM 662 N LYS A 45 6.559 5.304 -3.456 1.00 0.00 N ATOM 663 CA LYS A 45 6.335 6.620 -2.875 1.00 0.00 C ATOM 664 C LYS A 45 5.433 6.498 -1.657 1.00 0.00 C ATOM 665 O LYS A 45 5.020 7.490 -1.053 1.00 0.00 O ATOM 666 CB LYS A 45 5.744 7.589 -3.917 1.00 0.00 C ATOM 667 CG LYS A 45 4.474 7.104 -4.615 1.00 0.00 C ATOM 668 CD LYS A 45 3.227 7.295 -3.761 1.00 0.00 C ATOM 669 CE LYS A 45 3.043 8.750 -3.349 1.00 0.00 C ATOM 670 NZ LYS A 45 2.778 9.643 -4.508 1.00 0.00 N ATOM 0 H LYS A 45 5.781 4.943 -4.008 1.00 0.00 H new ATOM 0 HA LYS A 45 7.292 7.033 -2.556 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.529 8.538 -3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.502 7.788 -4.675 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.352 7.642 -5.555 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.581 6.048 -4.864 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.351 6.961 -4.317 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.297 6.671 -2.870 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.216 8.822 -2.643 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.937 9.092 -2.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.627 10.615 -4.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.592 9.624 -5.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.929 9.316 -5.011 1.00 0.00 H new ATOM 684 N LEU A 46 5.149 5.259 -1.306 1.00 0.00 N ATOM 685 CA LEU A 46 4.231 4.951 -0.228 1.00 0.00 C ATOM 686 C LEU A 46 4.989 4.813 1.090 1.00 0.00 C ATOM 687 O LEU A 46 6.221 4.802 1.103 1.00 0.00 O ATOM 688 CB LEU A 46 3.518 3.655 -0.584 1.00 0.00 C ATOM 689 CG LEU A 46 2.177 3.408 0.093 1.00 0.00 C ATOM 690 CD1 LEU A 46 1.207 4.553 -0.177 1.00 0.00 C ATOM 691 CD2 LEU A 46 1.615 2.101 -0.416 1.00 0.00 C ATOM 0 H LEU A 46 5.548 4.438 -1.760 1.00 0.00 H new ATOM 0 HA LEU A 46 3.504 5.753 -0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.364 3.636 -1.663 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.180 2.824 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 46 2.320 3.354 1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.258 4.350 0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.626 5.483 0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.043 4.646 -1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.653 1.909 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.481 2.159 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.305 1.291 -0.179 1.00 0.00 H new ATOM 703 N SER A 47 4.255 4.727 2.190 1.00 0.00 N ATOM 704 CA SER A 47 4.869 4.582 3.500 1.00 0.00 C ATOM 705 C SER A 47 5.375 3.158 3.696 1.00 0.00 C ATOM 706 O SER A 47 4.690 2.178 3.388 1.00 0.00 O ATOM 707 CB SER A 47 3.873 4.950 4.604 1.00 0.00 C ATOM 708 OG SER A 47 4.429 4.749 5.894 1.00 0.00 O ATOM 0 H SER A 47 3.235 4.755 2.201 1.00 0.00 H new ATOM 0 HA SER A 47 5.718 5.263 3.559 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.575 5.993 4.494 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.971 4.347 4.497 1.00 0.00 H new ATOM 0 HG SER A 47 3.770 4.994 6.576 1.00 0.00 H new ATOM 714 N ASN A 48 6.589 3.069 4.224 1.00 0.00 N ATOM 715 CA ASN A 48 7.295 1.802 4.388 1.00 0.00 C ATOM 716 C ASN A 48 6.513 0.857 5.280 1.00 0.00 C ATOM 717 O ASN A 48 6.571 -0.358 5.111 1.00 0.00 O ATOM 718 CB ASN A 48 8.666 2.034 5.013 1.00 0.00 C ATOM 719 CG ASN A 48 9.458 3.140 4.334 1.00 0.00 C ATOM 720 OD1 ASN A 48 9.270 3.425 3.153 1.00 0.00 O ATOM 721 ND2 ASN A 48 10.364 3.756 5.074 1.00 0.00 N ATOM 0 H ASN A 48 7.116 3.878 4.553 1.00 0.00 H new ATOM 0 HA ASN A 48 7.407 1.358 3.399 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.540 2.282 6.067 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.239 1.108 4.970 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.936 4.496 4.668 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.490 3.491 6.051 1.00 0.00 H new ATOM 728 N GLU A 49 5.792 1.429 6.235 1.00 0.00 N ATOM 729 CA GLU A 49 4.963 0.667 7.137 1.00 0.00 C ATOM 730 C GLU A 49 3.869 -0.045 6.356 1.00 0.00 C ATOM 731 O GLU A 49 3.596 -1.236 6.558 1.00 0.00 O ATOM 732 CB GLU A 49 4.370 1.629 8.157 1.00 0.00 C ATOM 733 CG GLU A 49 4.944 1.476 9.554 1.00 0.00 C ATOM 734 CD GLU A 49 4.513 0.190 10.225 1.00 0.00 C ATOM 735 OE1 GLU A 49 5.125 -0.866 9.957 1.00 0.00 O ATOM 736 OE2 GLU A 49 3.560 0.231 11.027 1.00 0.00 O ATOM 0 H GLU A 49 5.771 2.435 6.400 1.00 0.00 H new ATOM 0 HA GLU A 49 5.550 -0.093 7.652 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.536 2.651 7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.291 1.478 8.200 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.032 1.506 9.500 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.631 2.322 10.165 1.00 0.00 H new ATOM 743 N ASP A 50 3.273 0.688 5.431 1.00 0.00 N ATOM 744 CA ASP A 50 2.255 0.173 4.573 1.00 0.00 C ATOM 745 C ASP A 50 2.821 -0.911 3.668 1.00 0.00 C ATOM 746 O ASP A 50 2.163 -1.926 3.424 1.00 0.00 O ATOM 747 CB ASP A 50 1.689 1.328 3.768 1.00 0.00 C ATOM 748 CG ASP A 50 0.911 2.302 4.630 1.00 0.00 C ATOM 749 OD1 ASP A 50 1.542 3.128 5.321 1.00 0.00 O ATOM 750 OD2 ASP A 50 -0.329 2.232 4.637 1.00 0.00 O ATOM 0 H ASP A 50 3.496 1.669 5.264 1.00 0.00 H new ATOM 0 HA ASP A 50 1.458 -0.285 5.159 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.503 1.856 3.272 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.038 0.938 2.986 1.00 0.00 H new ATOM 755 N LEU A 51 4.061 -0.728 3.197 1.00 0.00 N ATOM 756 CA LEU A 51 4.686 -1.749 2.375 1.00 0.00 C ATOM 757 C LEU A 51 4.957 -2.982 3.212 1.00 0.00 C ATOM 758 O LEU A 51 4.737 -4.092 2.755 1.00 0.00 O ATOM 759 CB LEU A 51 5.995 -1.267 1.734 1.00 0.00 C ATOM 760 CG LEU A 51 5.859 -0.273 0.576 1.00 0.00 C ATOM 761 CD1 LEU A 51 4.454 -0.302 -0.002 1.00 0.00 C ATOM 762 CD2 LEU A 51 6.241 1.129 1.014 1.00 0.00 C ATOM 0 H LEU A 51 4.632 0.099 3.370 1.00 0.00 H new ATOM 0 HA LEU A 51 3.993 -1.983 1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.606 -0.806 2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.541 -2.139 1.374 1.00 0.00 H new ATOM 0 HG LEU A 51 6.551 -0.576 -0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.383 0.412 -0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.234 -1.303 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.736 -0.036 0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.135 1.814 0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.587 1.447 1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.275 1.134 1.358 1.00 0.00 H new ATOM 774 N ALA A 52 5.391 -2.772 4.452 1.00 0.00 N ATOM 775 CA ALA A 52 5.696 -3.873 5.358 1.00 0.00 C ATOM 776 C ALA A 52 4.457 -4.716 5.584 1.00 0.00 C ATOM 777 O ALA A 52 4.532 -5.929 5.777 1.00 0.00 O ATOM 778 CB ALA A 52 6.226 -3.343 6.682 1.00 0.00 C ATOM 0 H ALA A 52 5.539 -1.846 4.852 1.00 0.00 H new ATOM 0 HA ALA A 52 6.468 -4.496 4.905 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.448 -4.179 7.346 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.135 -2.768 6.506 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.475 -2.702 7.144 1.00 0.00 H new ATOM 784 N TYR A 53 3.315 -4.052 5.549 1.00 0.00 N ATOM 785 CA TYR A 53 2.040 -4.728 5.679 1.00 0.00 C ATOM 786 C TYR A 53 1.698 -5.536 4.415 1.00 0.00 C ATOM 787 O TYR A 53 1.323 -6.714 4.492 1.00 0.00 O ATOM 788 CB TYR A 53 0.952 -3.701 5.973 1.00 0.00 C ATOM 789 CG TYR A 53 -0.429 -4.291 5.939 1.00 0.00 C ATOM 790 CD1 TYR A 53 -0.916 -5.054 6.990 1.00 0.00 C ATOM 791 CD2 TYR A 53 -1.233 -4.105 4.832 1.00 0.00 C ATOM 792 CE1 TYR A 53 -2.174 -5.620 6.934 1.00 0.00 C ATOM 793 CE2 TYR A 53 -2.488 -4.655 4.768 1.00 0.00 C ATOM 794 CZ TYR A 53 -2.958 -5.417 5.819 1.00 0.00 C ATOM 795 OH TYR A 53 -4.207 -5.989 5.748 1.00 0.00 O ATOM 0 H TYR A 53 3.247 -3.041 5.431 1.00 0.00 H new ATOM 0 HA TYR A 53 2.104 -5.436 6.506 1.00 0.00 H new ATOM 0 HB2 TYR A 53 1.130 -3.260 6.954 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.015 -2.893 5.244 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.302 -5.208 7.865 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.868 -3.517 4.003 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.540 -6.216 7.757 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.107 -4.492 3.898 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.578 -6.077 6.651 1.00 0.00 H new ATOM 805 N VAL A 54 1.827 -4.920 3.249 1.00 0.00 N ATOM 806 CA VAL A 54 1.518 -5.618 2.005 1.00 0.00 C ATOM 807 C VAL A 54 2.543 -6.722 1.718 1.00 0.00 C ATOM 808 O VAL A 54 2.225 -7.722 1.064 1.00 0.00 O ATOM 809 CB VAL A 54 1.343 -4.641 0.817 1.00 0.00 C ATOM 810 CG1 VAL A 54 2.337 -3.523 0.858 1.00 0.00 C ATOM 811 CG2 VAL A 54 1.381 -5.357 -0.528 1.00 0.00 C ATOM 0 H VAL A 54 2.138 -3.955 3.136 1.00 0.00 H new ATOM 0 HA VAL A 54 0.553 -6.108 2.134 1.00 0.00 H new ATOM 0 HB VAL A 54 0.351 -4.203 0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.177 -2.862 0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.213 -2.959 1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.346 -3.932 0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.254 -4.631 -1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.340 -5.862 -0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.576 -6.091 -0.572 1.00 0.00 H new ATOM 821 N GLU A 55 3.760 -6.552 2.230 1.00 0.00 N ATOM 822 CA GLU A 55 4.734 -7.649 2.273 1.00 0.00 C ATOM 823 C GLU A 55 4.096 -8.881 2.909 1.00 0.00 C ATOM 824 O GLU A 55 4.313 -10.006 2.470 1.00 0.00 O ATOM 825 CB GLU A 55 5.978 -7.273 3.091 1.00 0.00 C ATOM 826 CG GLU A 55 6.752 -6.089 2.552 1.00 0.00 C ATOM 827 CD GLU A 55 8.066 -5.868 3.280 1.00 0.00 C ATOM 828 OE1 GLU A 55 8.039 -5.469 4.459 1.00 0.00 O ATOM 829 OE2 GLU A 55 9.136 -6.072 2.672 1.00 0.00 O ATOM 0 H GLU A 55 4.097 -5.672 2.620 1.00 0.00 H new ATOM 0 HA GLU A 55 5.037 -7.856 1.247 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.672 -7.055 4.114 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.643 -8.136 3.134 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.950 -6.242 1.491 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.140 -5.191 2.635 1.00 0.00 H new ATOM 836 N LYS A 56 3.278 -8.651 3.930 1.00 0.00 N ATOM 837 CA LYS A 56 2.604 -9.717 4.633 1.00 0.00 C ATOM 838 C LYS A 56 1.475 -10.280 3.772 1.00 0.00 C ATOM 839 O LYS A 56 1.309 -11.495 3.669 1.00 0.00 O ATOM 840 CB LYS A 56 2.070 -9.179 5.964 1.00 0.00 C ATOM 841 CG LYS A 56 1.119 -10.108 6.689 1.00 0.00 C ATOM 842 CD LYS A 56 1.837 -11.276 7.352 1.00 0.00 C ATOM 843 CE LYS A 56 2.096 -12.421 6.387 1.00 0.00 C ATOM 844 NZ LYS A 56 2.822 -13.537 7.045 1.00 0.00 N ATOM 0 H LYS A 56 3.069 -7.719 4.287 1.00 0.00 H new ATOM 0 HA LYS A 56 3.303 -10.528 4.837 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.915 -8.964 6.618 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.561 -8.233 5.779 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.572 -9.545 7.446 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.382 -10.492 5.983 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.785 -10.930 7.763 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.240 -11.638 8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.148 -12.786 5.992 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.677 -12.058 5.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.982 -14.301 6.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.737 -13.194 7.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.256 -13.899 7.839 1.00 0.00 H new ATOM 858 N ILE A 57 0.710 -9.392 3.140 1.00 0.00 N ATOM 859 CA ILE A 57 -0.382 -9.820 2.257 1.00 0.00 C ATOM 860 C ILE A 57 0.135 -10.723 1.136 1.00 0.00 C ATOM 861 O ILE A 57 -0.510 -11.706 0.763 1.00 0.00 O ATOM 862 CB ILE A 57 -1.108 -8.627 1.602 1.00 0.00 C ATOM 863 CG1 ILE A 57 -1.491 -7.587 2.648 1.00 0.00 C ATOM 864 CG2 ILE A 57 -2.353 -9.106 0.851 1.00 0.00 C ATOM 865 CD1 ILE A 57 -2.144 -6.358 2.055 1.00 0.00 C ATOM 0 H ILE A 57 0.821 -8.381 3.219 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.081 -10.363 2.893 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.426 -8.163 0.889 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.171 -8.040 3.369 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.598 -7.287 3.197 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.854 -8.252 0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.060 -9.812 0.074 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.033 -9.595 1.549 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.392 -5.657 2.852 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.457 -5.883 1.355 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.054 -6.647 1.530 1.00 0.00 H new ATOM 877 N THR A 58 1.312 -10.402 0.626 1.00 0.00 N ATOM 878 CA THR A 58 1.819 -11.057 -0.575 1.00 0.00 C ATOM 879 C THR A 58 2.805 -12.176 -0.265 1.00 0.00 C ATOM 880 O THR A 58 2.696 -13.281 -0.800 1.00 0.00 O ATOM 881 CB THR A 58 2.506 -10.043 -1.509 1.00 0.00 C ATOM 882 OG1 THR A 58 3.489 -9.295 -0.784 1.00 0.00 O ATOM 883 CG2 THR A 58 1.494 -9.095 -2.124 1.00 0.00 C ATOM 0 H THR A 58 1.934 -9.696 1.020 1.00 0.00 H new ATOM 0 HA THR A 58 0.948 -11.492 -1.066 1.00 0.00 H new ATOM 0 HB THR A 58 2.991 -10.598 -2.312 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.043 -8.636 -0.212 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.007 -8.390 -2.779 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.767 -9.665 -2.703 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.980 -8.548 -1.333 1.00 0.00 H new ATOM 891 N GLY A 59 3.752 -11.894 0.608 1.00 0.00 N ATOM 892 CA GLY A 59 4.844 -12.808 0.836 1.00 0.00 C ATOM 893 C GLY A 59 6.115 -12.287 0.200 1.00 0.00 C ATOM 894 O GLY A 59 7.184 -12.884 0.336 1.00 0.00 O ATOM 0 H GLY A 59 3.784 -11.042 1.167 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.995 -12.943 1.907 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.599 -13.787 0.423 1.00 0.00 H new ATOM 898 N PHE A 60 5.988 -11.162 -0.499 1.00 0.00 N ATOM 899 CA PHE A 60 7.124 -10.508 -1.130 1.00 0.00 C ATOM 900 C PHE A 60 7.706 -9.480 -0.176 1.00 0.00 C ATOM 901 O PHE A 60 7.131 -9.218 0.878 1.00 0.00 O ATOM 902 CB PHE A 60 6.702 -9.810 -2.429 1.00 0.00 C ATOM 903 CG PHE A 60 6.114 -10.729 -3.462 1.00 0.00 C ATOM 904 CD1 PHE A 60 6.799 -11.862 -3.871 1.00 0.00 C ATOM 905 CD2 PHE A 60 4.875 -10.456 -4.025 1.00 0.00 C ATOM 906 CE1 PHE A 60 6.259 -12.708 -4.823 1.00 0.00 C ATOM 907 CE2 PHE A 60 4.333 -11.298 -4.976 1.00 0.00 C ATOM 908 CZ PHE A 60 5.025 -12.426 -5.376 1.00 0.00 C ATOM 0 H PHE A 60 5.099 -10.683 -0.642 1.00 0.00 H new ATOM 0 HA PHE A 60 7.871 -11.265 -1.369 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.973 -9.036 -2.191 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.570 -9.309 -2.857 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.764 -12.087 -3.442 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.329 -9.576 -3.716 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.802 -13.588 -5.134 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.368 -11.075 -5.407 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.602 -13.085 -6.119 1.00 0.00 H new ATOM 918 N SER A 61 8.833 -8.899 -0.539 1.00 0.00 N ATOM 919 CA SER A 61 9.418 -7.850 0.268 1.00 0.00 C ATOM 920 C SER A 61 9.478 -6.557 -0.528 1.00 0.00 C ATOM 921 O SER A 61 9.981 -6.523 -1.653 1.00 0.00 O ATOM 922 CB SER A 61 10.812 -8.242 0.761 1.00 0.00 C ATOM 923 OG SER A 61 11.299 -7.293 1.699 1.00 0.00 O ATOM 0 H SER A 61 9.358 -9.134 -1.382 1.00 0.00 H new ATOM 0 HA SER A 61 8.787 -7.700 1.144 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.776 -9.230 1.221 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.497 -8.309 -0.085 1.00 0.00 H new ATOM 0 HG SER A 61 10.570 -7.015 2.292 1.00 0.00 H new ATOM 929 N LEU A 62 8.952 -5.497 0.063 1.00 0.00 N ATOM 930 CA LEU A 62 8.918 -4.202 -0.584 1.00 0.00 C ATOM 931 C LEU A 62 9.946 -3.281 0.047 1.00 0.00 C ATOM 932 O LEU A 62 9.860 -2.064 -0.074 1.00 0.00 O ATOM 933 CB LEU A 62 7.512 -3.580 -0.512 1.00 0.00 C ATOM 934 CG LEU A 62 6.383 -4.485 -1.027 1.00 0.00 C ATOM 935 CD1 LEU A 62 5.069 -3.731 -1.075 1.00 0.00 C ATOM 936 CD2 LEU A 62 6.719 -5.042 -2.405 1.00 0.00 C ATOM 0 H LEU A 62 8.541 -5.512 0.996 1.00 0.00 H new ATOM 0 HA LEU A 62 9.164 -4.337 -1.637 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.301 -3.312 0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.509 -2.655 -1.088 1.00 0.00 H new ATOM 0 HG LEU A 62 6.280 -5.319 -0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.284 -4.391 -1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.812 -3.384 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.165 -2.875 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.904 -5.680 -2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.856 -4.219 -3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.637 -5.626 -2.347 1.00 0.00 H new ATOM 948 N GLU A 63 10.921 -3.880 0.727 1.00 0.00 N ATOM 949 CA GLU A 63 12.034 -3.156 1.308 1.00 0.00 C ATOM 950 C GLU A 63 12.709 -2.292 0.250 1.00 0.00 C ATOM 951 O GLU A 63 13.054 -1.137 0.492 1.00 0.00 O ATOM 952 CB GLU A 63 13.034 -4.161 1.853 1.00 0.00 C ATOM 953 CG GLU A 63 13.554 -3.815 3.228 1.00 0.00 C ATOM 954 CD GLU A 63 12.670 -4.339 4.340 1.00 0.00 C ATOM 955 OE1 GLU A 63 12.782 -5.536 4.679 1.00 0.00 O ATOM 956 OE2 GLU A 63 11.866 -3.559 4.884 1.00 0.00 O ATOM 0 H GLU A 63 10.955 -4.887 0.888 1.00 0.00 H new ATOM 0 HA GLU A 63 11.672 -2.510 2.108 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.565 -5.144 1.888 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.875 -4.234 1.164 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.558 -4.224 3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.638 -2.732 3.317 1.00 0.00 H new ATOM 963 N LYS A 64 12.876 -2.881 -0.928 1.00 0.00 N ATOM 964 CA LYS A 64 13.463 -2.204 -2.080 1.00 0.00 C ATOM 965 C LYS A 64 12.659 -0.961 -2.470 1.00 0.00 C ATOM 966 O LYS A 64 13.186 -0.036 -3.085 1.00 0.00 O ATOM 967 CB LYS A 64 13.521 -3.181 -3.257 1.00 0.00 C ATOM 968 CG LYS A 64 12.152 -3.699 -3.676 1.00 0.00 C ATOM 969 CD LYS A 64 12.256 -4.857 -4.655 1.00 0.00 C ATOM 970 CE LYS A 64 12.811 -6.106 -3.991 1.00 0.00 C ATOM 971 NZ LYS A 64 12.848 -7.255 -4.929 1.00 0.00 N ATOM 0 H LYS A 64 12.607 -3.847 -1.113 1.00 0.00 H new ATOM 0 HA LYS A 64 14.468 -1.876 -1.815 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.991 -2.687 -4.107 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.155 -4.026 -2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.600 -4.020 -2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.582 -2.889 -4.132 1.00 0.00 H new ATOM 0 HD2 LYS A 64 11.271 -5.072 -5.070 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.898 -4.572 -5.489 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.817 -5.905 -3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.198 -6.361 -3.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 13.232 -8.089 -4.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.885 -7.462 -5.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.453 -7.020 -5.742 1.00 0.00 H new ATOM 985 N PHE A 65 11.387 -0.941 -2.098 1.00 0.00 N ATOM 986 CA PHE A 65 10.513 0.181 -2.429 1.00 0.00 C ATOM 987 C PHE A 65 10.418 1.151 -1.260 1.00 0.00 C ATOM 988 O PHE A 65 9.940 2.273 -1.412 1.00 0.00 O ATOM 989 CB PHE A 65 9.110 -0.307 -2.806 1.00 0.00 C ATOM 990 CG PHE A 65 9.048 -1.068 -4.099 1.00 0.00 C ATOM 991 CD1 PHE A 65 9.143 -0.405 -5.313 1.00 0.00 C ATOM 992 CD2 PHE A 65 8.885 -2.442 -4.100 1.00 0.00 C ATOM 993 CE1 PHE A 65 9.080 -1.104 -6.504 1.00 0.00 C ATOM 994 CE2 PHE A 65 8.821 -3.145 -5.288 1.00 0.00 C ATOM 995 CZ PHE A 65 8.920 -2.475 -6.491 1.00 0.00 C ATOM 0 H PHE A 65 10.936 -1.686 -1.568 1.00 0.00 H new ATOM 0 HA PHE A 65 10.947 0.696 -3.286 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.732 -0.942 -2.005 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.444 0.553 -2.872 1.00 0.00 H new ATOM 0 HD1 PHE A 65 9.267 0.668 -5.328 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.807 -2.971 -3.162 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.156 -0.578 -7.444 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.694 -4.217 -5.275 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.872 -3.023 -7.421 1.00 0.00 H new ATOM 1005 N LYS A 66 10.889 0.719 -0.099 1.00 0.00 N ATOM 1006 CA LYS A 66 10.798 1.531 1.104 1.00 0.00 C ATOM 1007 C LYS A 66 11.849 2.631 1.083 1.00 0.00 C ATOM 1008 O LYS A 66 12.984 2.411 0.658 1.00 0.00 O ATOM 1009 CB LYS A 66 10.964 0.662 2.354 1.00 0.00 C ATOM 1010 CG LYS A 66 9.861 -0.369 2.522 1.00 0.00 C ATOM 1011 CD LYS A 66 10.072 -1.214 3.764 1.00 0.00 C ATOM 1012 CE LYS A 66 9.063 -2.347 3.843 1.00 0.00 C ATOM 1013 NZ LYS A 66 9.281 -3.197 5.041 1.00 0.00 N ATOM 0 H LYS A 66 11.337 -0.188 0.035 1.00 0.00 H new ATOM 0 HA LYS A 66 9.811 1.992 1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.925 0.150 2.307 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.988 1.305 3.234 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.897 0.135 2.584 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.828 -1.014 1.644 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.082 -1.624 3.759 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.987 -0.587 4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.054 -1.934 3.869 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.134 -2.960 2.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.595 -3.978 5.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.246 -3.584 5.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.155 -2.625 5.900 1.00 0.00 H new