USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 429 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 42 ASN : amide:sc= -0.309 X(o=0.078,f=-0.066) USER MOD Set 1.2: A 43 ASN : amide:sc= 0.387 X(o=0.078,f=-0.066) USER MOD Set 2.1: A 16 GLN : amide:sc= 0.753 K(o=-1.3,f=-5.5!) USER MOD Set 2.2: A 21 CYS SG : rot -73:sc= 0.271 USER MOD Set 2.3: A 26 CYS SG : rot -152:sc= 0.287 USER MOD Set 2.4: A 28 ASN : amide:sc= -0.241 K(o=-1.3,f=-7.6!) USER MOD Set 2.5: A 31 CYS SG : rot -101:sc= 0.641 USER MOD Set 2.6: A 34 CYS SG : rot -151:sc= -3.41! USER MOD Set 2.7: A 60 CYS SG : rot 66:sc= 0.44 USER MOD Single : A 7 LYS NZ :NH3+ -179:sc= 0.313 (180deg=0.284) USER MOD Single : A 8 HIS : no HE2:sc= 0.182 K(o=0.18,f=-0.89) USER MOD Single : A 13 TYR OH : rot 21:sc= 0.581 USER MOD Single : A 14 TYR OH : rot 180:sc= -1.05 USER MOD Single : A 15 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.01) USER MOD Single : A 18 THR OG1 : rot -77:sc= 0.739 USER MOD Single : A 23 ASN : amide:sc= 0.075 K(o=0.075,f=-5.8!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -30:sc= 0.41 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00187 USER MOD Single : A 40 MET CE :methyl 136:sc= -0.17 (180deg=-0.526) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 110:sc= -1.89! USER MOD Single : A 54 LYS NZ :NH3+ 177:sc= 0.104 (180deg=0.0973) USER MOD Single : A 56 ASN : amide:sc= -1.44 K(o=-1.4,f=-0.0087) USER MOD Single : A 58 LYS NZ :NH3+ 167:sc= 0.288 (180deg=0.218) USER MOD ----------------------------------------------------------------- ATOM 64 N ALA A 4 4.608 8.190 -3.028 1.00 0.00 N ATOM 65 CA ALA A 4 4.261 9.636 -3.065 1.00 0.00 C ATOM 66 C ALA A 4 5.277 10.467 -3.878 1.00 0.00 C ATOM 67 O ALA A 4 4.883 11.358 -4.634 1.00 0.00 O ATOM 68 CB ALA A 4 4.138 10.184 -1.637 1.00 0.00 C ATOM 0 HA ALA A 4 3.301 9.727 -3.573 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.884 11.243 -1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.356 9.642 -1.105 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.087 10.057 -1.115 1.00 0.00 H new ATOM 74 N ALA A 5 6.572 10.144 -3.717 1.00 0.00 N ATOM 75 CA ALA A 5 7.672 10.787 -4.471 1.00 0.00 C ATOM 76 C ALA A 5 7.533 10.526 -5.983 1.00 0.00 C ATOM 77 O ALA A 5 7.608 11.449 -6.793 1.00 0.00 O ATOM 78 CB ALA A 5 9.025 10.264 -3.963 1.00 0.00 C ATOM 0 H ALA A 5 6.890 9.430 -3.061 1.00 0.00 H new ATOM 0 HA ALA A 5 7.618 11.864 -4.310 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.832 10.740 -4.521 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.130 10.496 -2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.074 9.184 -4.104 1.00 0.00 H new ATOM 84 N ALA A 6 7.275 9.247 -6.309 1.00 0.00 N ATOM 85 CA ALA A 6 7.135 8.741 -7.689 1.00 0.00 C ATOM 86 C ALA A 6 5.780 9.150 -8.312 1.00 0.00 C ATOM 87 O ALA A 6 5.659 9.290 -9.529 1.00 0.00 O ATOM 88 CB ALA A 6 7.297 7.213 -7.669 1.00 0.00 C ATOM 0 H ALA A 6 7.155 8.519 -5.605 1.00 0.00 H new ATOM 0 HA ALA A 6 7.910 9.185 -8.314 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.196 6.823 -8.682 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.282 6.957 -7.278 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.528 6.774 -7.033 1.00 0.00 H new ATOM 94 N LYS A 7 4.783 9.373 -7.444 1.00 0.00 N ATOM 95 CA LYS A 7 3.409 9.726 -7.827 1.00 0.00 C ATOM 96 C LYS A 7 3.395 11.177 -8.296 1.00 0.00 C ATOM 97 O LYS A 7 2.959 11.477 -9.398 1.00 0.00 O ATOM 98 CB LYS A 7 2.460 9.528 -6.607 1.00 0.00 C ATOM 99 CG LYS A 7 0.982 9.931 -6.823 1.00 0.00 C ATOM 100 CD LYS A 7 0.290 9.109 -7.938 1.00 0.00 C ATOM 101 CE LYS A 7 -1.185 9.490 -8.143 1.00 0.00 C ATOM 102 NZ LYS A 7 -1.362 10.909 -8.511 1.00 0.00 N ATOM 0 H LYS A 7 4.912 9.312 -6.434 1.00 0.00 H new ATOM 0 HA LYS A 7 3.061 9.084 -8.636 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.490 8.478 -6.315 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.854 10.103 -5.769 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.435 9.800 -5.889 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.933 10.990 -7.076 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.829 9.252 -8.874 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.354 8.049 -7.692 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.613 8.861 -8.923 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.740 9.285 -7.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.375 11.116 -8.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.964 11.514 -7.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.871 11.099 -9.408 1.00 0.00 H new ATOM 116 N HIS A 8 3.939 12.052 -7.436 1.00 0.00 N ATOM 117 CA HIS A 8 4.052 13.489 -7.703 1.00 0.00 C ATOM 118 C HIS A 8 5.092 13.770 -8.790 1.00 0.00 C ATOM 119 O HIS A 8 5.034 14.813 -9.419 1.00 0.00 O ATOM 120 CB HIS A 8 4.345 14.278 -6.404 1.00 0.00 C ATOM 121 CG HIS A 8 3.245 14.168 -5.383 1.00 0.00 C ATOM 122 ND1 HIS A 8 1.913 14.104 -5.729 1.00 0.00 N ATOM 123 CD2 HIS A 8 3.277 14.098 -4.030 1.00 0.00 C ATOM 124 CE1 HIS A 8 1.182 14.002 -4.644 1.00 0.00 C ATOM 125 NE2 HIS A 8 1.983 13.995 -3.602 1.00 0.00 N ATOM 0 H HIS A 8 4.315 11.777 -6.529 1.00 0.00 H new ATOM 0 HA HIS A 8 3.091 13.837 -8.081 1.00 0.00 H new ATOM 0 HB2 HIS A 8 5.275 13.914 -5.967 1.00 0.00 H new ATOM 0 HB3 HIS A 8 4.499 15.328 -6.651 1.00 0.00 H new ATOM 0 HD1 HIS A 8 1.551 14.132 -6.682 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.159 14.120 -3.407 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.105 13.935 -4.613 1.00 0.00 H new ATOM 134 N LEU A 9 6.039 12.824 -8.985 1.00 0.00 N ATOM 135 CA LEU A 9 6.987 12.815 -10.130 1.00 0.00 C ATOM 136 C LEU A 9 6.180 12.758 -11.458 1.00 0.00 C ATOM 137 O LEU A 9 6.485 13.473 -12.421 1.00 0.00 O ATOM 138 CB LEU A 9 7.958 11.585 -10.004 1.00 0.00 C ATOM 139 CG LEU A 9 9.439 11.743 -10.491 1.00 0.00 C ATOM 140 CD1 LEU A 9 9.550 11.926 -12.008 1.00 0.00 C ATOM 141 CD2 LEU A 9 10.158 12.883 -9.739 1.00 0.00 C ATOM 0 H LEU A 9 6.170 12.038 -8.349 1.00 0.00 H new ATOM 0 HA LEU A 9 7.589 13.723 -10.126 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.985 11.291 -8.955 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.515 10.756 -10.556 1.00 0.00 H new ATOM 0 HG LEU A 9 9.942 10.806 -10.253 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.599 12.030 -12.286 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.126 11.057 -12.511 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.005 12.821 -12.307 1.00 0.00 H new ATOM 0 HD21 LEU A 9 11.183 12.967 -10.100 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.633 13.822 -9.915 1.00 0.00 H new ATOM 0 HD23 LEU A 9 10.166 12.666 -8.671 1.00 0.00 H new ATOM 153 N ILE A 10 5.136 11.897 -11.469 1.00 0.00 N ATOM 154 CA ILE A 10 4.183 11.786 -12.602 1.00 0.00 C ATOM 155 C ILE A 10 3.344 13.079 -12.731 1.00 0.00 C ATOM 156 O ILE A 10 3.007 13.475 -13.843 1.00 0.00 O ATOM 157 CB ILE A 10 3.232 10.529 -12.448 1.00 0.00 C ATOM 158 CG1 ILE A 10 4.084 9.230 -12.319 1.00 0.00 C ATOM 159 CG2 ILE A 10 2.225 10.410 -13.627 1.00 0.00 C ATOM 160 CD1 ILE A 10 3.317 7.959 -11.998 1.00 0.00 C ATOM 0 H ILE A 10 4.930 11.262 -10.698 1.00 0.00 H new ATOM 0 HA ILE A 10 4.769 11.649 -13.511 1.00 0.00 H new ATOM 0 HB ILE A 10 2.645 10.666 -11.540 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.623 9.079 -13.254 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.832 9.386 -11.541 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.593 9.534 -13.479 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.602 11.304 -13.665 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.772 10.309 -14.564 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.012 7.122 -11.933 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.800 8.077 -11.046 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.588 7.765 -12.785 1.00 0.00 H new ATOM 172 N GLU A 11 3.004 13.718 -11.582 1.00 0.00 N ATOM 173 CA GLU A 11 2.336 15.047 -11.573 1.00 0.00 C ATOM 174 C GLU A 11 3.277 16.160 -12.079 1.00 0.00 C ATOM 175 O GLU A 11 2.796 17.174 -12.566 1.00 0.00 O ATOM 176 CB GLU A 11 1.778 15.434 -10.161 1.00 0.00 C ATOM 177 CG GLU A 11 0.400 14.838 -9.786 1.00 0.00 C ATOM 178 CD GLU A 11 0.442 13.347 -9.441 1.00 0.00 C ATOM 179 OE1 GLU A 11 0.314 12.497 -10.357 1.00 0.00 O ATOM 180 OE2 GLU A 11 0.602 13.013 -8.246 1.00 0.00 O ATOM 0 H GLU A 11 3.180 13.336 -10.653 1.00 0.00 H new ATOM 0 HA GLU A 11 1.491 14.957 -12.255 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.503 15.122 -9.409 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.708 16.520 -10.106 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.003 15.387 -8.935 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.289 14.989 -10.617 1.00 0.00 H new ATOM 187 N ARG A 12 4.604 15.977 -11.942 1.00 0.00 N ATOM 188 CA ARG A 12 5.596 16.952 -12.444 1.00 0.00 C ATOM 189 C ARG A 12 5.628 16.904 -13.972 1.00 0.00 C ATOM 190 O ARG A 12 5.673 17.941 -14.637 1.00 0.00 O ATOM 191 CB ARG A 12 7.012 16.693 -11.860 1.00 0.00 C ATOM 192 CG ARG A 12 7.171 16.819 -10.322 1.00 0.00 C ATOM 193 CD ARG A 12 6.593 18.123 -9.724 1.00 0.00 C ATOM 194 NE ARG A 12 5.120 18.085 -9.548 1.00 0.00 N ATOM 195 CZ ARG A 12 4.283 19.120 -9.754 1.00 0.00 C ATOM 196 NH1 ARG A 12 4.724 20.260 -10.286 1.00 0.00 N ATOM 197 NH2 ARG A 12 2.993 18.991 -9.467 1.00 0.00 N ATOM 0 H ARG A 12 5.016 15.162 -11.487 1.00 0.00 H new ATOM 0 HA ARG A 12 5.293 17.946 -12.115 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.321 15.689 -12.152 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.706 17.389 -12.331 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.682 15.968 -9.848 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.230 16.758 -10.072 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.063 18.311 -8.759 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.853 18.959 -10.373 1.00 0.00 H new ATOM 0 HE ARG A 12 4.707 17.202 -9.246 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.706 20.357 -10.543 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.079 21.036 -10.436 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.639 18.111 -9.092 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.356 19.772 -9.621 1.00 0.00 H new ATOM 211 N TYR A 13 5.598 15.671 -14.509 1.00 0.00 N ATOM 212 CA TYR A 13 5.471 15.430 -15.949 1.00 0.00 C ATOM 213 C TYR A 13 4.125 15.943 -16.461 1.00 0.00 C ATOM 214 O TYR A 13 4.085 16.688 -17.416 1.00 0.00 O ATOM 215 CB TYR A 13 5.645 13.929 -16.279 1.00 0.00 C ATOM 216 CG TYR A 13 7.095 13.443 -16.246 1.00 0.00 C ATOM 217 CD1 TYR A 13 8.037 13.937 -17.162 1.00 0.00 C ATOM 218 CD2 TYR A 13 7.521 12.490 -15.330 1.00 0.00 C ATOM 219 CE1 TYR A 13 9.339 13.478 -17.160 1.00 0.00 C ATOM 220 CE2 TYR A 13 8.819 12.046 -15.330 1.00 0.00 C ATOM 221 CZ TYR A 13 9.719 12.540 -16.237 1.00 0.00 C ATOM 222 OH TYR A 13 10.998 12.059 -16.239 1.00 0.00 O ATOM 0 H TYR A 13 5.661 14.818 -13.954 1.00 0.00 H new ATOM 0 HA TYR A 13 6.265 15.978 -16.455 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.061 13.343 -15.570 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.231 13.736 -17.269 1.00 0.00 H new ATOM 0 HD1 TYR A 13 7.739 14.687 -17.879 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.822 12.094 -14.609 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.051 13.855 -17.879 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.133 11.303 -14.611 1.00 0.00 H new ATOM 0 HH TYR A 13 11.585 12.693 -16.702 1.00 0.00 H new ATOM 232 N TYR A 14 3.038 15.572 -15.772 1.00 0.00 N ATOM 233 CA TYR A 14 1.662 15.966 -16.137 1.00 0.00 C ATOM 234 C TYR A 14 1.541 17.500 -16.179 1.00 0.00 C ATOM 235 O TYR A 14 0.894 18.052 -17.065 1.00 0.00 O ATOM 236 CB TYR A 14 0.649 15.360 -15.131 1.00 0.00 C ATOM 237 CG TYR A 14 -0.826 15.653 -15.457 1.00 0.00 C ATOM 238 CD1 TYR A 14 -1.531 14.867 -16.365 1.00 0.00 C ATOM 239 CD2 TYR A 14 -1.502 16.727 -14.870 1.00 0.00 C ATOM 240 CE1 TYR A 14 -2.850 15.135 -16.665 1.00 0.00 C ATOM 241 CE2 TYR A 14 -2.817 16.996 -15.166 1.00 0.00 C ATOM 242 CZ TYR A 14 -3.486 16.202 -16.067 1.00 0.00 C ATOM 243 OH TYR A 14 -4.798 16.469 -16.371 1.00 0.00 O ATOM 0 H TYR A 14 3.084 14.986 -14.939 1.00 0.00 H new ATOM 0 HA TYR A 14 1.434 15.578 -17.130 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.793 14.280 -15.096 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.871 15.744 -14.135 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.037 14.034 -16.842 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.979 17.360 -14.168 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.383 14.511 -17.367 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.322 17.826 -14.694 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.098 17.253 -15.865 1.00 0.00 H new ATOM 253 N HIS A 15 2.211 18.154 -15.212 1.00 0.00 N ATOM 254 CA HIS A 15 2.330 19.613 -15.145 1.00 0.00 C ATOM 255 C HIS A 15 3.106 20.131 -16.363 1.00 0.00 C ATOM 256 O HIS A 15 2.724 21.129 -16.955 1.00 0.00 O ATOM 257 CB HIS A 15 3.037 20.053 -13.833 1.00 0.00 C ATOM 258 CG HIS A 15 3.407 21.516 -13.794 1.00 0.00 C ATOM 259 ND1 HIS A 15 4.705 21.963 -13.884 1.00 0.00 N ATOM 260 CD2 HIS A 15 2.641 22.630 -13.694 1.00 0.00 C ATOM 261 CE1 HIS A 15 4.719 23.273 -13.843 1.00 0.00 C ATOM 262 NE2 HIS A 15 3.484 23.702 -13.725 1.00 0.00 N ATOM 0 H HIS A 15 2.688 17.674 -14.449 1.00 0.00 H new ATOM 0 HA HIS A 15 1.327 20.040 -15.150 1.00 0.00 H new ATOM 0 HB2 HIS A 15 2.384 19.832 -12.989 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.940 19.457 -13.702 1.00 0.00 H new ATOM 0 HD2 HIS A 15 1.565 22.663 -13.606 1.00 0.00 H new ATOM 0 HE1 HIS A 15 5.600 23.896 -13.897 1.00 0.00 H new ATOM 0 HE2 HIS A 15 3.200 24.680 -13.666 1.00 0.00 H new ATOM 271 N GLN A 16 4.193 19.426 -16.714 1.00 0.00 N ATOM 272 CA GLN A 16 5.065 19.796 -17.840 1.00 0.00 C ATOM 273 C GLN A 16 4.354 19.594 -19.203 1.00 0.00 C ATOM 274 O GLN A 16 4.674 20.274 -20.172 1.00 0.00 O ATOM 275 CB GLN A 16 6.405 19.009 -17.777 1.00 0.00 C ATOM 276 CG GLN A 16 7.432 19.421 -18.850 1.00 0.00 C ATOM 277 CD GLN A 16 8.756 18.662 -18.769 1.00 0.00 C ATOM 278 OE1 GLN A 16 9.687 19.098 -18.103 1.00 0.00 O ATOM 279 NE2 GLN A 16 8.846 17.530 -19.451 1.00 0.00 N ATOM 0 H GLN A 16 4.492 18.583 -16.225 1.00 0.00 H new ATOM 0 HA GLN A 16 5.292 20.858 -17.752 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.850 19.150 -16.792 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.194 17.945 -17.882 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.995 19.263 -19.836 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.631 20.489 -18.757 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.050 17.198 -19.995 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.712 16.991 -19.432 1.00 0.00 H new ATOM 288 N LEU A 17 3.370 18.680 -19.262 1.00 0.00 N ATOM 289 CA LEU A 17 2.594 18.422 -20.498 1.00 0.00 C ATOM 290 C LEU A 17 1.377 19.369 -20.623 1.00 0.00 C ATOM 291 O LEU A 17 0.972 19.701 -21.739 1.00 0.00 O ATOM 292 CB LEU A 17 2.138 16.927 -20.590 1.00 0.00 C ATOM 293 CG LEU A 17 3.175 15.876 -21.138 1.00 0.00 C ATOM 294 CD1 LEU A 17 3.883 16.374 -22.410 1.00 0.00 C ATOM 295 CD2 LEU A 17 4.196 15.420 -20.084 1.00 0.00 C ATOM 0 H LEU A 17 3.089 18.104 -18.469 1.00 0.00 H new ATOM 0 HA LEU A 17 3.262 18.625 -21.335 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.832 16.608 -19.594 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.252 16.885 -21.224 1.00 0.00 H new ATOM 0 HG LEU A 17 2.585 14.998 -21.400 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.589 15.618 -22.753 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.144 16.560 -23.189 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.419 17.298 -22.190 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.880 14.697 -20.529 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.761 16.282 -19.728 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.673 14.958 -19.247 1.00 0.00 H new ATOM 307 N THR A 18 0.784 19.789 -19.485 1.00 0.00 N ATOM 308 CA THR A 18 -0.424 20.651 -19.493 1.00 0.00 C ATOM 309 C THR A 18 -0.052 22.148 -19.544 1.00 0.00 C ATOM 310 O THR A 18 -0.551 22.891 -20.393 1.00 0.00 O ATOM 311 CB THR A 18 -1.341 20.370 -18.254 1.00 0.00 C ATOM 312 OG1 THR A 18 -0.589 20.528 -17.030 1.00 0.00 O ATOM 313 CG2 THR A 18 -1.964 18.957 -18.309 1.00 0.00 C ATOM 0 H THR A 18 1.118 19.548 -18.552 1.00 0.00 H new ATOM 0 HA THR A 18 -0.980 20.403 -20.397 1.00 0.00 H new ATOM 0 HB THR A 18 -2.155 21.095 -18.278 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.018 19.743 -16.893 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.593 18.802 -17.432 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.569 18.861 -19.211 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.171 18.210 -18.323 1.00 0.00 H new ATOM 321 N GLU A 19 0.820 22.582 -18.616 1.00 0.00 N ATOM 322 CA GLU A 19 1.235 24.001 -18.475 1.00 0.00 C ATOM 323 C GLU A 19 2.695 24.232 -18.907 1.00 0.00 C ATOM 324 O GLU A 19 3.039 25.306 -19.418 1.00 0.00 O ATOM 325 CB GLU A 19 1.076 24.448 -17.001 1.00 0.00 C ATOM 326 CG GLU A 19 -0.359 24.407 -16.458 1.00 0.00 C ATOM 327 CD GLU A 19 -0.449 24.914 -15.009 1.00 0.00 C ATOM 328 OE1 GLU A 19 -0.538 26.147 -14.803 1.00 0.00 O ATOM 329 OE2 GLU A 19 -0.411 24.090 -14.074 1.00 0.00 O ATOM 0 H GLU A 19 1.261 21.961 -17.938 1.00 0.00 H new ATOM 0 HA GLU A 19 0.592 24.588 -19.130 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.703 23.812 -16.375 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.456 25.465 -16.903 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.003 25.014 -17.094 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.735 23.385 -16.507 1.00 0.00 H new ATOM 336 N GLY A 20 3.543 23.214 -18.701 1.00 0.00 N ATOM 337 CA GLY A 20 4.982 23.339 -18.891 1.00 0.00 C ATOM 338 C GLY A 20 5.683 23.671 -17.589 1.00 0.00 C ATOM 339 O GLY A 20 5.813 22.816 -16.713 1.00 0.00 O ATOM 0 H GLY A 20 3.245 22.287 -18.399 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.380 22.407 -19.293 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.188 24.117 -19.626 1.00 0.00 H new ATOM 343 N CYS A 21 6.152 24.909 -17.486 1.00 0.00 N ATOM 344 CA CYS A 21 6.784 25.453 -16.273 1.00 0.00 C ATOM 345 C CYS A 21 6.547 26.974 -16.177 1.00 0.00 C ATOM 346 O CYS A 21 7.125 27.639 -15.313 1.00 0.00 O ATOM 347 CB CYS A 21 8.293 25.125 -16.275 1.00 0.00 C ATOM 348 SG CYS A 21 9.176 25.681 -17.764 1.00 0.00 S ATOM 0 H CYS A 21 6.107 25.581 -18.252 1.00 0.00 H new ATOM 0 HA CYS A 21 6.331 24.989 -15.397 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.754 25.584 -15.400 1.00 0.00 H new ATOM 0 HB3 CYS A 21 8.419 24.047 -16.173 1.00 0.00 H new ATOM 0 HG CYS A 21 8.855 24.921 -18.768 1.00 0.00 H new ATOM 353 N GLY A 22 5.659 27.507 -17.050 1.00 0.00 N ATOM 354 CA GLY A 22 5.356 28.940 -17.101 1.00 0.00 C ATOM 355 C GLY A 22 6.184 29.680 -18.148 1.00 0.00 C ATOM 356 O GLY A 22 5.639 30.441 -18.955 1.00 0.00 O ATOM 0 H GLY A 22 5.141 26.952 -17.731 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.297 29.076 -17.319 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.539 29.381 -16.121 1.00 0.00 H new ATOM 360 N ASN A 23 7.513 29.449 -18.121 1.00 0.00 N ATOM 361 CA ASN A 23 8.469 30.088 -19.049 1.00 0.00 C ATOM 362 C ASN A 23 8.232 29.615 -20.504 1.00 0.00 C ATOM 363 O ASN A 23 8.399 28.432 -20.815 1.00 0.00 O ATOM 364 CB ASN A 23 9.929 29.771 -18.612 1.00 0.00 C ATOM 365 CG ASN A 23 11.017 30.592 -19.340 1.00 0.00 C ATOM 366 OD1 ASN A 23 10.813 31.134 -20.420 1.00 0.00 O ATOM 367 ND2 ASN A 23 12.200 30.655 -18.764 1.00 0.00 N ATOM 0 H ASN A 23 7.954 28.814 -17.455 1.00 0.00 H new ATOM 0 HA ASN A 23 8.311 31.166 -19.013 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.018 29.946 -17.540 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.121 28.711 -18.779 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.962 31.160 -19.217 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.354 30.199 -17.865 1.00 0.00 H new ATOM 374 N GLU A 24 7.855 30.558 -21.379 1.00 0.00 N ATOM 375 CA GLU A 24 7.615 30.291 -22.816 1.00 0.00 C ATOM 376 C GLU A 24 8.941 30.039 -23.567 1.00 0.00 C ATOM 377 O GLU A 24 9.000 29.212 -24.486 1.00 0.00 O ATOM 378 CB GLU A 24 6.825 31.458 -23.489 1.00 0.00 C ATOM 379 CG GLU A 24 7.577 32.801 -23.625 1.00 0.00 C ATOM 380 CD GLU A 24 7.904 33.477 -22.286 1.00 0.00 C ATOM 381 OE1 GLU A 24 7.016 34.128 -21.711 1.00 0.00 O ATOM 382 OE2 GLU A 24 9.041 33.342 -21.788 1.00 0.00 O ATOM 0 H GLU A 24 7.706 31.532 -21.116 1.00 0.00 H new ATOM 0 HA GLU A 24 7.007 29.388 -22.879 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.518 31.135 -24.484 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.915 31.631 -22.915 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.506 32.631 -24.170 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.975 33.483 -24.226 1.00 0.00 H new ATOM 389 N ALA A 25 10.008 30.738 -23.127 1.00 0.00 N ATOM 390 CA ALA A 25 11.368 30.640 -23.701 1.00 0.00 C ATOM 391 C ALA A 25 12.159 29.490 -23.024 1.00 0.00 C ATOM 392 O ALA A 25 13.326 29.642 -22.628 1.00 0.00 O ATOM 393 CB ALA A 25 12.084 31.996 -23.550 1.00 0.00 C ATOM 0 H ALA A 25 9.949 31.397 -22.351 1.00 0.00 H new ATOM 0 HA ALA A 25 11.304 30.404 -24.763 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.087 31.927 -23.972 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.520 32.766 -24.077 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.152 32.256 -22.494 1.00 0.00 H new ATOM 399 N CYS A 26 11.505 28.329 -22.949 1.00 0.00 N ATOM 400 CA CYS A 26 12.052 27.095 -22.374 1.00 0.00 C ATOM 401 C CYS A 26 12.483 26.134 -23.497 1.00 0.00 C ATOM 402 O CYS A 26 11.657 25.759 -24.335 1.00 0.00 O ATOM 403 CB CYS A 26 10.967 26.441 -21.504 1.00 0.00 C ATOM 404 SG CYS A 26 11.428 24.841 -20.764 1.00 0.00 S ATOM 0 H CYS A 26 10.553 28.217 -23.296 1.00 0.00 H new ATOM 0 HA CYS A 26 12.927 27.324 -21.766 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.701 27.131 -20.703 1.00 0.00 H new ATOM 0 HB3 CYS A 26 10.073 26.298 -22.112 1.00 0.00 H new ATOM 0 HG CYS A 26 10.359 24.126 -20.576 1.00 0.00 H new ATOM 409 N THR A 27 13.758 25.703 -23.480 1.00 0.00 N ATOM 410 CA THR A 27 14.375 24.880 -24.552 1.00 0.00 C ATOM 411 C THR A 27 14.064 23.358 -24.403 1.00 0.00 C ATOM 412 O THR A 27 14.859 22.502 -24.816 1.00 0.00 O ATOM 413 CB THR A 27 15.921 25.117 -24.564 1.00 0.00 C ATOM 414 OG1 THR A 27 16.476 24.779 -23.281 1.00 0.00 O ATOM 415 CG2 THR A 27 16.285 26.573 -24.916 1.00 0.00 C ATOM 0 H THR A 27 14.400 25.915 -22.717 1.00 0.00 H new ATOM 0 HA THR A 27 13.938 25.196 -25.499 1.00 0.00 H new ATOM 0 HB THR A 27 16.343 24.475 -25.337 1.00 0.00 H new ATOM 0 HG1 THR A 27 17.445 24.927 -23.294 1.00 0.00 H new ATOM 0 HG21 THR A 27 17.369 26.688 -24.912 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.898 26.816 -25.906 1.00 0.00 H new ATOM 0 HG23 THR A 27 15.846 27.246 -24.180 1.00 0.00 H new ATOM 423 N ASN A 28 12.886 23.035 -23.847 1.00 0.00 N ATOM 424 CA ASN A 28 12.420 21.658 -23.621 1.00 0.00 C ATOM 425 C ASN A 28 11.214 21.397 -24.555 1.00 0.00 C ATOM 426 O ASN A 28 10.160 22.020 -24.402 1.00 0.00 O ATOM 427 CB ASN A 28 12.039 21.495 -22.117 1.00 0.00 C ATOM 428 CG ASN A 28 11.684 20.058 -21.677 1.00 0.00 C ATOM 429 OD1 ASN A 28 11.220 19.236 -22.457 1.00 0.00 O ATOM 430 ND2 ASN A 28 11.910 19.743 -20.410 1.00 0.00 N ATOM 0 H ASN A 28 12.217 23.739 -23.535 1.00 0.00 H new ATOM 0 HA ASN A 28 13.198 20.929 -23.849 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.871 21.848 -21.508 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.189 22.143 -21.902 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.697 18.804 -20.072 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.297 20.439 -19.773 1.00 0.00 H new ATOM 437 N GLU A 29 11.400 20.495 -25.527 1.00 0.00 N ATOM 438 CA GLU A 29 10.368 20.121 -26.528 1.00 0.00 C ATOM 439 C GLU A 29 9.195 19.335 -25.901 1.00 0.00 C ATOM 440 O GLU A 29 8.098 19.328 -26.455 1.00 0.00 O ATOM 441 CB GLU A 29 10.983 19.308 -27.711 1.00 0.00 C ATOM 442 CG GLU A 29 11.651 17.955 -27.346 1.00 0.00 C ATOM 443 CD GLU A 29 13.036 18.087 -26.686 1.00 0.00 C ATOM 444 OE1 GLU A 29 14.047 18.164 -27.410 1.00 0.00 O ATOM 445 OE2 GLU A 29 13.117 18.131 -25.447 1.00 0.00 O ATOM 0 H GLU A 29 12.279 19.993 -25.650 1.00 0.00 H new ATOM 0 HA GLU A 29 9.971 21.059 -26.916 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.195 19.114 -28.439 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.726 19.934 -28.205 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.991 17.408 -26.672 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.749 17.356 -28.251 1.00 0.00 H new ATOM 452 N PHE A 30 9.443 18.680 -24.747 1.00 0.00 N ATOM 453 CA PHE A 30 8.413 17.926 -23.981 1.00 0.00 C ATOM 454 C PHE A 30 7.702 18.831 -22.942 1.00 0.00 C ATOM 455 O PHE A 30 7.109 18.332 -21.976 1.00 0.00 O ATOM 456 CB PHE A 30 9.073 16.710 -23.264 1.00 0.00 C ATOM 457 CG PHE A 30 9.558 15.619 -24.216 1.00 0.00 C ATOM 458 CD1 PHE A 30 8.647 14.728 -24.789 1.00 0.00 C ATOM 459 CD2 PHE A 30 10.907 15.477 -24.535 1.00 0.00 C ATOM 460 CE1 PHE A 30 9.070 13.733 -25.648 1.00 0.00 C ATOM 461 CE2 PHE A 30 11.327 14.478 -25.398 1.00 0.00 C ATOM 462 CZ PHE A 30 10.410 13.608 -25.951 1.00 0.00 C ATOM 0 H PHE A 30 10.366 18.656 -24.314 1.00 0.00 H new ATOM 0 HA PHE A 30 7.661 17.571 -24.686 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.917 17.064 -22.672 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.355 16.278 -22.567 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.596 14.819 -24.557 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.632 16.152 -24.105 1.00 0.00 H new ATOM 0 HE1 PHE A 30 8.352 13.053 -26.082 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.375 14.380 -25.639 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.741 12.829 -26.621 1.00 0.00 H new ATOM 472 N CYS A 31 7.723 20.154 -23.176 1.00 0.00 N ATOM 473 CA CYS A 31 7.238 21.157 -22.211 1.00 0.00 C ATOM 474 C CYS A 31 6.217 22.083 -22.864 1.00 0.00 C ATOM 475 O CYS A 31 6.517 22.700 -23.883 1.00 0.00 O ATOM 476 CB CYS A 31 8.416 21.993 -21.705 1.00 0.00 C ATOM 477 SG CYS A 31 7.997 23.252 -20.468 1.00 0.00 S ATOM 0 H CYS A 31 8.078 20.560 -24.042 1.00 0.00 H new ATOM 0 HA CYS A 31 6.764 20.635 -21.380 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.160 21.321 -21.278 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.883 22.486 -22.557 1.00 0.00 H new ATOM 0 HG CYS A 31 7.922 24.416 -21.042 1.00 0.00 H new ATOM 482 N ALA A 32 5.034 22.200 -22.252 1.00 0.00 N ATOM 483 CA ALA A 32 3.962 23.083 -22.724 1.00 0.00 C ATOM 484 C ALA A 32 4.343 24.551 -22.494 1.00 0.00 C ATOM 485 O ALA A 32 5.289 24.838 -21.752 1.00 0.00 O ATOM 486 CB ALA A 32 2.630 22.696 -22.057 1.00 0.00 C ATOM 0 H ALA A 32 4.792 21.680 -21.408 1.00 0.00 H new ATOM 0 HA ALA A 32 3.827 22.960 -23.799 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.839 23.357 -22.413 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.383 21.665 -22.310 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.723 22.792 -20.975 1.00 0.00 H new ATOM 492 N SER A 33 3.644 25.455 -23.204 1.00 0.00 N ATOM 493 CA SER A 33 3.953 26.902 -23.274 1.00 0.00 C ATOM 494 C SER A 33 5.245 27.166 -24.104 1.00 0.00 C ATOM 495 O SER A 33 5.622 28.320 -24.296 1.00 0.00 O ATOM 496 CB SER A 33 4.028 27.547 -21.846 1.00 0.00 C ATOM 497 OG SER A 33 4.214 28.954 -21.894 1.00 0.00 O ATOM 0 H SER A 33 2.828 25.197 -23.760 1.00 0.00 H new ATOM 0 HA SER A 33 3.130 27.390 -23.797 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.111 27.323 -21.301 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.848 27.094 -21.289 1.00 0.00 H new ATOM 0 HG SER A 33 4.719 29.190 -22.700 1.00 0.00 H new ATOM 503 N CYS A 34 5.880 26.103 -24.651 1.00 0.00 N ATOM 504 CA CYS A 34 7.066 26.236 -25.524 1.00 0.00 C ATOM 505 C CYS A 34 6.639 26.121 -27.008 1.00 0.00 C ATOM 506 O CYS A 34 5.726 25.343 -27.324 1.00 0.00 O ATOM 507 CB CYS A 34 8.096 25.143 -25.160 1.00 0.00 C ATOM 508 SG CYS A 34 8.487 25.083 -23.399 1.00 0.00 S ATOM 0 H CYS A 34 5.586 25.138 -24.500 1.00 0.00 H new ATOM 0 HA CYS A 34 7.527 27.213 -25.376 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.710 24.172 -25.472 1.00 0.00 H new ATOM 0 HB3 CYS A 34 9.013 25.317 -25.722 1.00 0.00 H new ATOM 0 HG CYS A 34 9.700 24.644 -23.239 1.00 0.00 H new ATOM 514 N PRO A 35 7.295 26.879 -27.950 1.00 0.00 N ATOM 515 CA PRO A 35 6.954 26.839 -29.400 1.00 0.00 C ATOM 516 C PRO A 35 7.454 25.545 -30.084 1.00 0.00 C ATOM 517 O PRO A 35 7.174 25.307 -31.260 1.00 0.00 O ATOM 518 CB PRO A 35 7.668 28.097 -29.956 1.00 0.00 C ATOM 519 CG PRO A 35 8.868 28.261 -29.070 1.00 0.00 C ATOM 520 CD PRO A 35 8.425 27.822 -27.685 1.00 0.00 C ATOM 0 HA PRO A 35 5.879 26.837 -29.583 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.958 27.962 -30.998 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.021 28.973 -29.916 1.00 0.00 H new ATOM 0 HG2 PRO A 35 9.701 27.654 -29.424 1.00 0.00 H new ATOM 0 HG3 PRO A 35 9.209 29.296 -29.061 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.235 27.333 -27.143 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.104 28.670 -27.081 1.00 0.00 H new ATOM 528 N THR A 36 8.205 24.730 -29.322 1.00 0.00 N ATOM 529 CA THR A 36 8.748 23.441 -29.764 1.00 0.00 C ATOM 530 C THR A 36 7.909 22.261 -29.231 1.00 0.00 C ATOM 531 O THR A 36 8.331 21.100 -29.316 1.00 0.00 O ATOM 532 CB THR A 36 10.232 23.322 -29.289 1.00 0.00 C ATOM 533 OG1 THR A 36 10.308 23.547 -27.863 1.00 0.00 O ATOM 534 CG2 THR A 36 11.138 24.332 -30.019 1.00 0.00 C ATOM 0 H THR A 36 8.455 24.958 -28.360 1.00 0.00 H new ATOM 0 HA THR A 36 8.707 23.398 -30.852 1.00 0.00 H new ATOM 0 HB THR A 36 10.582 22.317 -29.525 1.00 0.00 H new ATOM 0 HG1 THR A 36 11.240 23.470 -27.569 1.00 0.00 H new ATOM 0 HG21 THR A 36 12.163 24.223 -29.665 1.00 0.00 H new ATOM 0 HG22 THR A 36 11.102 24.144 -31.092 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.790 25.345 -29.817 1.00 0.00 H new ATOM 542 N PHE A 37 6.709 22.569 -28.697 1.00 0.00 N ATOM 543 CA PHE A 37 5.767 21.562 -28.162 1.00 0.00 C ATOM 544 C PHE A 37 4.431 21.634 -28.920 1.00 0.00 C ATOM 545 O PHE A 37 4.087 22.673 -29.493 1.00 0.00 O ATOM 546 CB PHE A 37 5.547 21.798 -26.649 1.00 0.00 C ATOM 547 CG PHE A 37 4.613 20.790 -25.953 1.00 0.00 C ATOM 548 CD1 PHE A 37 5.014 19.472 -25.752 1.00 0.00 C ATOM 549 CD2 PHE A 37 3.344 21.161 -25.506 1.00 0.00 C ATOM 550 CE1 PHE A 37 4.188 18.566 -25.125 1.00 0.00 C ATOM 551 CE2 PHE A 37 2.520 20.252 -24.872 1.00 0.00 C ATOM 552 CZ PHE A 37 2.938 18.955 -24.684 1.00 0.00 C ATOM 0 H PHE A 37 6.364 23.526 -28.624 1.00 0.00 H new ATOM 0 HA PHE A 37 6.190 20.567 -28.301 1.00 0.00 H new ATOM 0 HB2 PHE A 37 6.516 21.775 -26.150 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.141 22.800 -26.510 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.988 19.155 -26.093 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.001 22.174 -25.658 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.518 17.548 -24.978 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.545 20.560 -24.523 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.291 18.243 -24.193 1.00 0.00 H new ATOM 562 N LEU A 38 3.694 20.512 -28.905 1.00 0.00 N ATOM 563 CA LEU A 38 2.332 20.402 -29.445 1.00 0.00 C ATOM 564 C LEU A 38 1.372 20.106 -28.279 1.00 0.00 C ATOM 565 O LEU A 38 1.463 19.027 -27.671 1.00 0.00 O ATOM 566 CB LEU A 38 2.296 19.265 -30.503 1.00 0.00 C ATOM 567 CG LEU A 38 0.894 18.885 -31.075 1.00 0.00 C ATOM 568 CD1 LEU A 38 0.208 20.093 -31.758 1.00 0.00 C ATOM 569 CD2 LEU A 38 1.009 17.673 -32.035 1.00 0.00 C ATOM 0 H LEU A 38 4.037 19.637 -28.508 1.00 0.00 H new ATOM 0 HA LEU A 38 2.026 21.329 -29.930 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.936 19.555 -31.336 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.736 18.372 -30.058 1.00 0.00 H new ATOM 0 HG LEU A 38 0.257 18.594 -30.240 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.765 19.789 -32.143 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.076 20.895 -31.032 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.829 20.447 -32.581 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.022 17.422 -32.424 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.672 17.926 -32.863 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.414 16.818 -31.494 1.00 0.00 H new ATOM 581 N ARG A 39 0.490 21.087 -27.949 1.00 0.00 N ATOM 582 CA ARG A 39 -0.493 20.965 -26.844 1.00 0.00 C ATOM 583 C ARG A 39 -1.386 19.720 -27.026 1.00 0.00 C ATOM 584 O ARG A 39 -1.823 19.407 -28.143 1.00 0.00 O ATOM 585 CB ARG A 39 -1.384 22.234 -26.731 1.00 0.00 C ATOM 586 CG ARG A 39 -0.662 23.528 -26.300 1.00 0.00 C ATOM 587 CD ARG A 39 -0.114 23.494 -24.860 1.00 0.00 C ATOM 588 NE ARG A 39 0.399 24.821 -24.455 1.00 0.00 N ATOM 589 CZ ARG A 39 0.184 25.419 -23.266 1.00 0.00 C ATOM 590 NH1 ARG A 39 -0.472 24.804 -22.296 1.00 0.00 N ATOM 591 NH2 ARG A 39 0.622 26.644 -23.060 1.00 0.00 N ATOM 0 H ARG A 39 0.442 21.980 -28.440 1.00 0.00 H new ATOM 0 HA ARG A 39 0.078 20.858 -25.922 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.857 22.409 -27.697 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.182 22.031 -26.017 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.163 23.717 -26.987 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.353 24.365 -26.394 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.902 23.180 -24.175 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.684 22.755 -24.788 1.00 0.00 H new ATOM 0 HE ARG A 39 0.965 25.328 -25.135 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.826 23.858 -22.440 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.623 25.275 -21.404 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.122 27.138 -23.799 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.461 27.099 -22.161 1.00 0.00 H new ATOM 605 N MET A 40 -1.649 19.033 -25.912 1.00 0.00 N ATOM 606 CA MET A 40 -2.418 17.781 -25.882 1.00 0.00 C ATOM 607 C MET A 40 -3.507 17.855 -24.802 1.00 0.00 C ATOM 608 O MET A 40 -3.488 18.746 -23.938 1.00 0.00 O ATOM 609 CB MET A 40 -1.457 16.579 -25.636 1.00 0.00 C ATOM 610 CG MET A 40 -0.588 16.680 -24.364 1.00 0.00 C ATOM 611 SD MET A 40 0.542 15.278 -24.160 1.00 0.00 S ATOM 612 CE MET A 40 1.566 15.402 -25.630 1.00 0.00 C ATOM 0 H MET A 40 -1.330 19.333 -24.991 1.00 0.00 H new ATOM 0 HA MET A 40 -2.910 17.634 -26.843 1.00 0.00 H new ATOM 0 HB2 MET A 40 -2.050 15.666 -25.580 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.799 16.479 -26.499 1.00 0.00 H new ATOM 0 HG2 MET A 40 -0.009 17.603 -24.399 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.238 16.745 -23.492 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.611 15.251 -25.359 1.00 0.00 H new ATOM 0 HE2 MET A 40 1.264 14.641 -26.349 1.00 0.00 H new ATOM 0 HE3 MET A 40 1.446 16.390 -26.075 1.00 0.00 H new ATOM 622 N ASP A 41 -4.458 16.909 -24.877 1.00 0.00 N ATOM 623 CA ASP A 41 -5.569 16.771 -23.906 1.00 0.00 C ATOM 624 C ASP A 41 -5.029 16.314 -22.533 1.00 0.00 C ATOM 625 O ASP A 41 -3.914 15.823 -22.455 1.00 0.00 O ATOM 626 CB ASP A 41 -6.610 15.761 -24.472 1.00 0.00 C ATOM 627 CG ASP A 41 -7.785 15.465 -23.520 1.00 0.00 C ATOM 628 OD1 ASP A 41 -8.627 16.353 -23.310 1.00 0.00 O ATOM 629 OD2 ASP A 41 -7.850 14.356 -22.964 1.00 0.00 O ATOM 0 H ASP A 41 -4.482 16.209 -25.619 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.057 17.735 -23.759 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.006 16.152 -25.409 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.102 14.825 -24.706 1.00 0.00 H new ATOM 634 N ASN A 42 -5.837 16.492 -21.466 1.00 0.00 N ATOM 635 CA ASN A 42 -5.471 16.112 -20.080 1.00 0.00 C ATOM 636 C ASN A 42 -5.199 14.589 -19.954 1.00 0.00 C ATOM 637 O ASN A 42 -4.241 14.184 -19.301 1.00 0.00 O ATOM 638 CB ASN A 42 -6.575 16.576 -19.085 1.00 0.00 C ATOM 639 CG ASN A 42 -7.928 15.889 -19.294 1.00 0.00 C ATOM 640 OD1 ASN A 42 -8.236 14.886 -18.657 1.00 0.00 O ATOM 641 ND2 ASN A 42 -8.724 16.400 -20.216 1.00 0.00 N ATOM 0 H ASN A 42 -6.767 16.905 -21.540 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.541 16.620 -19.825 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.236 16.386 -18.067 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.707 17.654 -19.181 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.622 15.960 -20.415 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.440 17.235 -20.729 1.00 0.00 H new ATOM 648 N ASN A 43 -6.028 13.762 -20.624 1.00 0.00 N ATOM 649 CA ASN A 43 -5.865 12.291 -20.628 1.00 0.00 C ATOM 650 C ASN A 43 -4.622 11.898 -21.447 1.00 0.00 C ATOM 651 O ASN A 43 -3.874 11.004 -21.052 1.00 0.00 O ATOM 652 CB ASN A 43 -7.131 11.586 -21.184 1.00 0.00 C ATOM 653 CG ASN A 43 -8.378 11.830 -20.327 1.00 0.00 C ATOM 654 OD1 ASN A 43 -8.644 11.102 -19.372 1.00 0.00 O ATOM 655 ND2 ASN A 43 -9.137 12.869 -20.640 1.00 0.00 N ATOM 0 H ASN A 43 -6.823 14.090 -21.173 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.728 11.961 -19.598 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.320 11.937 -22.198 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -6.945 10.514 -21.247 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.965 13.082 -20.084 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.894 13.457 -21.437 1.00 0.00 H new ATOM 662 N ALA A 44 -4.410 12.610 -22.576 1.00 0.00 N ATOM 663 CA ALA A 44 -3.222 12.426 -23.447 1.00 0.00 C ATOM 664 C ALA A 44 -1.933 12.862 -22.718 1.00 0.00 C ATOM 665 O ALA A 44 -0.863 12.292 -22.931 1.00 0.00 O ATOM 666 CB ALA A 44 -3.399 13.210 -24.761 1.00 0.00 C ATOM 0 H ALA A 44 -5.054 13.327 -22.911 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.129 11.366 -23.685 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.521 13.067 -25.391 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.284 12.848 -25.284 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.517 14.271 -24.539 1.00 0.00 H new ATOM 672 N ALA A 45 -2.081 13.860 -21.830 1.00 0.00 N ATOM 673 CA ALA A 45 -0.988 14.408 -21.011 1.00 0.00 C ATOM 674 C ALA A 45 -0.636 13.445 -19.877 1.00 0.00 C ATOM 675 O ALA A 45 0.496 13.423 -19.424 1.00 0.00 O ATOM 676 CB ALA A 45 -1.380 15.785 -20.453 1.00 0.00 C ATOM 0 H ALA A 45 -2.978 14.315 -21.659 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.107 14.530 -21.641 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.563 16.179 -19.849 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.583 16.468 -21.278 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.273 15.687 -19.835 1.00 0.00 H new ATOM 682 N ALA A 46 -1.640 12.664 -19.429 1.00 0.00 N ATOM 683 CA ALA A 46 -1.470 11.613 -18.407 1.00 0.00 C ATOM 684 C ALA A 46 -0.756 10.379 -18.995 1.00 0.00 C ATOM 685 O ALA A 46 0.053 9.731 -18.316 1.00 0.00 O ATOM 686 CB ALA A 46 -2.838 11.228 -17.816 1.00 0.00 C ATOM 0 H ALA A 46 -2.598 12.746 -19.769 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.842 12.005 -17.607 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.703 10.452 -17.063 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.295 12.104 -17.357 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.485 10.855 -18.610 1.00 0.00 H new ATOM 692 N ILE A 47 -1.078 10.067 -20.270 1.00 0.00 N ATOM 693 CA ILE A 47 -0.420 8.989 -21.039 1.00 0.00 C ATOM 694 C ILE A 47 1.059 9.344 -21.275 1.00 0.00 C ATOM 695 O ILE A 47 1.954 8.535 -21.006 1.00 0.00 O ATOM 696 CB ILE A 47 -1.143 8.741 -22.430 1.00 0.00 C ATOM 697 CG1 ILE A 47 -2.619 8.257 -22.217 1.00 0.00 C ATOM 698 CG2 ILE A 47 -0.349 7.752 -23.333 1.00 0.00 C ATOM 699 CD1 ILE A 47 -2.769 6.922 -21.494 1.00 0.00 C ATOM 0 H ILE A 47 -1.803 10.557 -20.795 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.489 8.070 -20.456 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.172 9.696 -22.954 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.156 9.019 -21.653 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.103 8.181 -23.191 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.881 7.612 -24.274 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.643 8.158 -23.533 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.252 6.793 -22.825 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.827 6.678 -21.397 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.267 6.141 -22.065 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.321 6.993 -20.503 1.00 0.00 H new ATOM 711 N LYS A 48 1.286 10.580 -21.753 1.00 0.00 N ATOM 712 CA LYS A 48 2.632 11.095 -22.058 1.00 0.00 C ATOM 713 C LYS A 48 3.451 11.270 -20.767 1.00 0.00 C ATOM 714 O LYS A 48 4.654 11.047 -20.769 1.00 0.00 O ATOM 715 CB LYS A 48 2.537 12.439 -22.825 1.00 0.00 C ATOM 716 CG LYS A 48 3.852 12.893 -23.507 1.00 0.00 C ATOM 717 CD LYS A 48 4.279 11.954 -24.652 1.00 0.00 C ATOM 718 CE LYS A 48 5.490 12.480 -25.445 1.00 0.00 C ATOM 719 NZ LYS A 48 5.772 11.634 -26.636 1.00 0.00 N ATOM 0 H LYS A 48 0.540 11.251 -21.939 1.00 0.00 H new ATOM 0 HA LYS A 48 3.141 10.369 -22.692 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.761 12.353 -23.585 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.218 13.216 -22.130 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.725 13.902 -23.898 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.647 12.937 -22.762 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.520 10.974 -24.240 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.439 11.815 -25.333 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.301 13.505 -25.763 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.367 12.503 -24.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.593 12.016 -27.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.977 10.661 -26.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.943 11.632 -27.265 1.00 0.00 H new ATOM 733 N ALA A 49 2.769 11.647 -19.668 1.00 0.00 N ATOM 734 CA ALA A 49 3.383 11.766 -18.329 1.00 0.00 C ATOM 735 C ALA A 49 3.952 10.421 -17.876 1.00 0.00 C ATOM 736 O ALA A 49 5.048 10.367 -17.327 1.00 0.00 O ATOM 737 CB ALA A 49 2.371 12.277 -17.288 1.00 0.00 C ATOM 0 H ALA A 49 1.776 11.878 -19.683 1.00 0.00 H new ATOM 0 HA ALA A 49 4.193 12.492 -18.406 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.857 12.352 -16.315 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.005 13.259 -17.588 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.534 11.582 -17.223 1.00 0.00 H new ATOM 743 N LEU A 50 3.185 9.347 -18.147 1.00 0.00 N ATOM 744 CA LEU A 50 3.553 7.970 -17.766 1.00 0.00 C ATOM 745 C LEU A 50 4.698 7.440 -18.665 1.00 0.00 C ATOM 746 O LEU A 50 5.565 6.705 -18.187 1.00 0.00 O ATOM 747 CB LEU A 50 2.298 7.030 -17.819 1.00 0.00 C ATOM 748 CG LEU A 50 2.023 6.166 -16.547 1.00 0.00 C ATOM 749 CD1 LEU A 50 3.201 5.221 -16.221 1.00 0.00 C ATOM 750 CD2 LEU A 50 1.671 7.065 -15.345 1.00 0.00 C ATOM 0 H LEU A 50 2.292 9.410 -18.637 1.00 0.00 H new ATOM 0 HA LEU A 50 3.918 7.979 -16.739 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.419 7.645 -18.011 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.410 6.359 -18.670 1.00 0.00 H new ATOM 0 HG LEU A 50 1.163 5.531 -16.761 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.965 4.640 -15.329 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.369 4.546 -17.060 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.101 5.809 -16.043 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.483 6.444 -14.469 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.502 7.740 -15.140 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.779 7.647 -15.575 1.00 0.00 H new ATOM 762 N GLU A 51 4.670 7.815 -19.961 1.00 0.00 N ATOM 763 CA GLU A 51 5.738 7.486 -20.930 1.00 0.00 C ATOM 764 C GLU A 51 7.076 8.077 -20.463 1.00 0.00 C ATOM 765 O GLU A 51 8.061 7.358 -20.271 1.00 0.00 O ATOM 766 CB GLU A 51 5.384 8.036 -22.343 1.00 0.00 C ATOM 767 CG GLU A 51 4.235 7.314 -23.076 1.00 0.00 C ATOM 768 CD GLU A 51 4.575 5.872 -23.495 1.00 0.00 C ATOM 769 OE1 GLU A 51 5.591 5.667 -24.190 1.00 0.00 O ATOM 770 OE2 GLU A 51 3.837 4.932 -23.135 1.00 0.00 O ATOM 0 H GLU A 51 3.905 8.355 -20.366 1.00 0.00 H new ATOM 0 HA GLU A 51 5.826 6.401 -20.988 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.123 9.090 -22.247 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.277 7.984 -22.966 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.358 7.297 -22.429 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.966 7.887 -23.964 1.00 0.00 H new ATOM 777 N LEU A 52 7.056 9.394 -20.237 1.00 0.00 N ATOM 778 CA LEU A 52 8.227 10.165 -19.822 1.00 0.00 C ATOM 779 C LEU A 52 8.676 9.771 -18.400 1.00 0.00 C ATOM 780 O LEU A 52 9.854 9.894 -18.067 1.00 0.00 O ATOM 781 CB LEU A 52 7.931 11.683 -19.922 1.00 0.00 C ATOM 782 CG LEU A 52 7.525 12.226 -21.335 1.00 0.00 C ATOM 783 CD1 LEU A 52 7.337 13.760 -21.309 1.00 0.00 C ATOM 784 CD2 LEU A 52 8.525 11.791 -22.435 1.00 0.00 C ATOM 0 H LEU A 52 6.214 9.960 -20.339 1.00 0.00 H new ATOM 0 HA LEU A 52 9.051 9.934 -20.497 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.130 11.921 -19.222 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.816 12.226 -19.590 1.00 0.00 H new ATOM 0 HG LEU A 52 6.565 11.778 -21.590 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.056 14.109 -22.303 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.552 14.018 -20.598 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.270 14.236 -21.008 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.204 12.190 -23.397 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.517 12.174 -22.197 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.559 10.703 -22.486 1.00 0.00 H new ATOM 796 N TYR A 53 7.727 9.277 -17.585 1.00 0.00 N ATOM 797 CA TYR A 53 8.004 8.794 -16.220 1.00 0.00 C ATOM 798 C TYR A 53 8.893 7.552 -16.247 1.00 0.00 C ATOM 799 O TYR A 53 9.956 7.533 -15.624 1.00 0.00 O ATOM 800 CB TYR A 53 6.678 8.501 -15.469 1.00 0.00 C ATOM 801 CG TYR A 53 6.831 7.767 -14.122 1.00 0.00 C ATOM 802 CD1 TYR A 53 7.455 8.374 -13.026 1.00 0.00 C ATOM 803 CD2 TYR A 53 6.331 6.470 -13.951 1.00 0.00 C ATOM 804 CE1 TYR A 53 7.582 7.706 -11.825 1.00 0.00 C ATOM 805 CE2 TYR A 53 6.456 5.809 -12.749 1.00 0.00 C ATOM 806 CZ TYR A 53 7.070 6.429 -11.693 1.00 0.00 C ATOM 807 OH TYR A 53 7.174 5.773 -10.490 1.00 0.00 O ATOM 0 H TYR A 53 6.746 9.201 -17.854 1.00 0.00 H new ATOM 0 HA TYR A 53 8.540 9.578 -15.685 1.00 0.00 H new ATOM 0 HB2 TYR A 53 6.163 9.446 -15.293 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.036 7.905 -16.118 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.842 9.378 -13.121 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.838 5.979 -14.777 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.080 8.179 -10.991 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.071 4.806 -12.640 1.00 0.00 H new ATOM 0 HH TYR A 53 6.287 5.699 -10.080 1.00 0.00 H new ATOM 817 N LYS A 54 8.451 6.533 -16.996 1.00 0.00 N ATOM 818 CA LYS A 54 9.095 5.212 -16.983 1.00 0.00 C ATOM 819 C LYS A 54 10.471 5.240 -17.677 1.00 0.00 C ATOM 820 O LYS A 54 11.359 4.465 -17.319 1.00 0.00 O ATOM 821 CB LYS A 54 8.156 4.137 -17.596 1.00 0.00 C ATOM 822 CG LYS A 54 7.666 4.415 -19.032 1.00 0.00 C ATOM 823 CD LYS A 54 6.686 3.327 -19.542 1.00 0.00 C ATOM 824 CE LYS A 54 6.025 3.699 -20.879 1.00 0.00 C ATOM 825 NZ LYS A 54 7.019 4.044 -21.932 1.00 0.00 N ATOM 0 H LYS A 54 7.647 6.598 -17.621 1.00 0.00 H new ATOM 0 HA LYS A 54 9.278 4.938 -15.944 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.677 3.180 -17.589 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.285 4.031 -16.949 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.174 5.387 -19.064 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.524 4.470 -19.702 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.224 2.386 -19.657 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.912 3.162 -18.793 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.413 2.865 -21.222 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.355 4.545 -20.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.524 4.237 -22.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.553 4.888 -21.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.675 3.248 -22.064 1.00 0.00 H new ATOM 839 N ILE A 55 10.650 6.159 -18.645 1.00 0.00 N ATOM 840 CA ILE A 55 11.947 6.342 -19.347 1.00 0.00 C ATOM 841 C ILE A 55 12.854 7.368 -18.613 1.00 0.00 C ATOM 842 O ILE A 55 14.057 7.439 -18.890 1.00 0.00 O ATOM 843 CB ILE A 55 11.730 6.793 -20.844 1.00 0.00 C ATOM 844 CG1 ILE A 55 11.136 8.241 -20.928 1.00 0.00 C ATOM 845 CG2 ILE A 55 10.825 5.768 -21.587 1.00 0.00 C ATOM 846 CD1 ILE A 55 10.889 8.762 -22.336 1.00 0.00 C ATOM 0 H ILE A 55 9.915 6.790 -18.963 1.00 0.00 H new ATOM 0 HA ILE A 55 12.449 5.374 -19.343 1.00 0.00 H new ATOM 0 HB ILE A 55 12.702 6.817 -21.337 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.194 8.262 -20.380 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.816 8.925 -20.419 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.682 6.089 -22.619 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.300 4.787 -21.575 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.858 5.708 -21.088 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.478 9.770 -22.284 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.829 8.781 -22.887 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.182 8.108 -22.847 1.00 0.00 H new ATOM 858 N ASN A 56 12.248 8.141 -17.678 1.00 0.00 N ATOM 859 CA ASN A 56 12.909 9.240 -16.931 1.00 0.00 C ATOM 860 C ASN A 56 13.459 10.316 -17.900 1.00 0.00 C ATOM 861 O ASN A 56 14.674 10.454 -18.082 1.00 0.00 O ATOM 862 CB ASN A 56 14.016 8.739 -15.946 1.00 0.00 C ATOM 863 CG ASN A 56 13.496 7.929 -14.742 1.00 0.00 C ATOM 864 OD1 ASN A 56 13.962 8.110 -13.618 1.00 0.00 O ATOM 865 ND2 ASN A 56 12.594 6.986 -14.968 1.00 0.00 N ATOM 0 H ASN A 56 11.270 8.016 -17.418 1.00 0.00 H new ATOM 0 HA ASN A 56 12.139 9.696 -16.309 1.00 0.00 H new ATOM 0 HB2 ASN A 56 14.724 8.123 -16.501 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.568 9.602 -15.574 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.273 6.393 -14.202 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.220 6.852 -15.908 1.00 0.00 H new ATOM 872 N ALA A 57 12.532 11.030 -18.553 1.00 0.00 N ATOM 873 CA ALA A 57 12.849 12.140 -19.464 1.00 0.00 C ATOM 874 C ALA A 57 13.218 13.430 -18.693 1.00 0.00 C ATOM 875 O ALA A 57 13.251 13.454 -17.453 1.00 0.00 O ATOM 876 CB ALA A 57 11.659 12.379 -20.412 1.00 0.00 C ATOM 0 H ALA A 57 11.532 10.852 -18.463 1.00 0.00 H new ATOM 0 HA ALA A 57 13.726 11.866 -20.051 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.892 13.202 -21.088 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.468 11.476 -20.992 1.00 0.00 H new ATOM 0 HB3 ALA A 57 10.773 12.629 -19.828 1.00 0.00 H new ATOM 882 N LYS A 58 13.518 14.485 -19.459 1.00 0.00 N ATOM 883 CA LYS A 58 13.918 15.802 -18.936 1.00 0.00 C ATOM 884 C LYS A 58 12.730 16.540 -18.268 1.00 0.00 C ATOM 885 O LYS A 58 11.712 16.829 -18.915 1.00 0.00 O ATOM 886 CB LYS A 58 14.539 16.634 -20.095 1.00 0.00 C ATOM 887 CG LYS A 58 13.647 16.726 -21.358 1.00 0.00 C ATOM 888 CD LYS A 58 14.409 17.175 -22.623 1.00 0.00 C ATOM 889 CE LYS A 58 14.996 18.590 -22.514 1.00 0.00 C ATOM 890 NZ LYS A 58 15.567 19.051 -23.809 1.00 0.00 N ATOM 0 H LYS A 58 13.490 14.450 -20.478 1.00 0.00 H new ATOM 0 HA LYS A 58 14.665 15.666 -18.154 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.744 17.642 -19.734 1.00 0.00 H new ATOM 0 HB3 LYS A 58 15.497 16.193 -20.371 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.194 15.752 -21.544 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.833 17.425 -21.167 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.216 16.470 -22.821 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.734 17.135 -23.478 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.218 19.283 -22.192 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.772 18.604 -21.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.752 20.073 -23.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.457 18.546 -23.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 14.892 18.856 -24.575 1.00 0.00 H new ATOM 904 N LEU A 59 12.863 16.794 -16.954 1.00 0.00 N ATOM 905 CA LEU A 59 11.903 17.599 -16.179 1.00 0.00 C ATOM 906 C LEU A 59 12.414 19.034 -16.014 1.00 0.00 C ATOM 907 O LEU A 59 13.623 19.278 -15.905 1.00 0.00 O ATOM 908 CB LEU A 59 11.618 16.975 -14.768 1.00 0.00 C ATOM 909 CG LEU A 59 10.379 16.039 -14.663 1.00 0.00 C ATOM 910 CD1 LEU A 59 10.238 15.443 -13.239 1.00 0.00 C ATOM 911 CD2 LEU A 59 9.086 16.782 -15.093 1.00 0.00 C ATOM 0 H LEU A 59 13.643 16.445 -16.398 1.00 0.00 H new ATOM 0 HA LEU A 59 10.968 17.608 -16.739 1.00 0.00 H new ATOM 0 HB2 LEU A 59 12.499 16.412 -14.459 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.493 17.789 -14.053 1.00 0.00 H new ATOM 0 HG LEU A 59 10.532 15.207 -15.350 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.363 14.794 -13.201 1.00 0.00 H new ATOM 0 HD12 LEU A 59 11.129 14.864 -12.997 1.00 0.00 H new ATOM 0 HD13 LEU A 59 10.123 16.251 -12.516 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.234 16.107 -15.011 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.929 17.644 -14.445 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.185 17.117 -16.125 1.00 0.00 H new ATOM 923 N CYS A 60 11.460 19.967 -16.013 1.00 0.00 N ATOM 924 CA CYS A 60 11.676 21.357 -15.597 1.00 0.00 C ATOM 925 C CYS A 60 11.495 21.476 -14.081 1.00 0.00 C ATOM 926 O CYS A 60 12.129 22.307 -13.420 1.00 0.00 O ATOM 927 CB CYS A 60 10.670 22.273 -16.306 1.00 0.00 C ATOM 928 SG CYS A 60 10.724 22.171 -18.115 1.00 0.00 S ATOM 0 H CYS A 60 10.501 19.777 -16.305 1.00 0.00 H new ATOM 0 HA CYS A 60 12.689 21.657 -15.866 1.00 0.00 H new ATOM 0 HB2 CYS A 60 9.665 22.021 -15.968 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.858 23.304 -16.005 1.00 0.00 H new ATOM 0 HG CYS A 60 10.345 20.987 -18.494 1.00 0.00 H new