USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 700 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 30 LYS NZ :NH3+ 147:sc= -0.289 (180deg=-1.76!) USER MOD Set 1.2: A 63 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0318) USER MOD Set 1.3: A 89 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0173) USER MOD Set 2.1: A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 66 HIS : no HD1:sc= -6.18! C(o=-6.2!,f=-8.1!) USER MOD Set 3.1: A 52 ASN : amide:sc= -0.0434 K(o=-3,f=-6.2) USER MOD Set 3.2: A 68 LYS NZ :NH3+ -165:sc= -1.54! (180deg=-2.68!) USER MOD Set 3.3: A 83 THR OG1 : rot 180:sc= -1.43 USER MOD Set 4.1: A 31 THR OG1 : rot 7:sc= -1.96! USER MOD Set 4.2: A 62 ASN :FLIP amide:sc= 0.378 F(o=-3.9,f=-1.6) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -68:sc= -1.13 USER MOD Single : A 17 GLN : amide:sc= -7.55! C(o=-7.5!,f=-7.1!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 160:sc= -0.0184 (180deg=-0.291) USER MOD Single : A 26 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.6!) USER MOD Single : A 32 ASN : amide:sc= -4.69! C(o=-4.7!,f=-5.9!) USER MOD Single : A 34 THR OG1 : rot -50:sc= 0.985 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 160:sc= 0.235 (180deg=0.077) USER MOD Single : A 42 GLN :FLIP amide:sc= -4.76! C(o=-7.8!,f=-4.8!) USER MOD Single : A 43 TYR OH : rot 180:sc= -2.5! USER MOD Single : A 44 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0193) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.0769 K(o=-0.077,f=-2.2!) USER MOD Single : A 51 THR OG1 : rot 104:sc= 0.402 USER MOD Single : A 53 TYR OH : rot 180:sc= -2.5 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= -1.17! USER MOD Single : A 71 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0412) USER MOD Single : A 72 SER OG : rot 161:sc= -2.37! USER MOD Single : A 76 GLN : amide:sc= -0.0184 K(o=-0.018,f=-1.8!) USER MOD Single : A 77 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.17) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN :FLIP amide:sc= 0.0904 F(o=-1.1,f=0.09) USER MOD Single : A 90 ASN :FLIP amide:sc= -4.43! C(o=-5.8!,f=-4.4!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 86 N SER A 7 -14.794 -5.987 -9.503 1.00 0.00 N ATOM 87 CA SER A 7 -15.901 -6.745 -8.859 1.00 0.00 C ATOM 88 C SER A 7 -15.613 -6.879 -7.363 1.00 0.00 C ATOM 89 O SER A 7 -15.995 -6.041 -6.570 1.00 0.00 O ATOM 90 CB SER A 7 -15.998 -8.136 -9.485 1.00 0.00 C ATOM 91 OG SER A 7 -16.883 -8.091 -10.597 1.00 0.00 O ATOM 0 HA SER A 7 -16.842 -6.216 -9.006 1.00 0.00 H new ATOM 0 HB2 SER A 7 -15.012 -8.473 -9.804 1.00 0.00 H new ATOM 0 HB3 SER A 7 -16.358 -8.854 -8.748 1.00 0.00 H new ATOM 0 HG SER A 7 -16.946 -8.981 -11.001 1.00 0.00 H new ATOM 97 N GLU A 8 -14.939 -7.927 -6.969 1.00 0.00 N ATOM 98 CA GLU A 8 -14.628 -8.107 -5.528 1.00 0.00 C ATOM 99 C GLU A 8 -13.298 -7.437 -5.204 1.00 0.00 C ATOM 100 O GLU A 8 -12.260 -8.062 -5.239 1.00 0.00 O ATOM 101 CB GLU A 8 -14.540 -9.600 -5.189 1.00 0.00 C ATOM 102 CG GLU A 8 -15.680 -10.350 -5.882 1.00 0.00 C ATOM 103 CD GLU A 8 -17.023 -9.805 -5.392 1.00 0.00 C ATOM 104 OE1 GLU A 8 -17.411 -10.145 -4.286 1.00 0.00 O ATOM 105 OE2 GLU A 8 -17.640 -9.056 -6.132 1.00 0.00 O ATOM 0 H GLU A 8 -14.593 -8.663 -7.584 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.422 -7.652 -4.936 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.579 -10.001 -5.511 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.600 -9.743 -4.110 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.601 -10.234 -6.963 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -15.609 -11.417 -5.670 1.00 0.00 H new ATOM 112 N ALA A 9 -13.323 -6.171 -4.887 1.00 0.00 N ATOM 113 CA ALA A 9 -12.062 -5.464 -4.557 1.00 0.00 C ATOM 114 C ALA A 9 -12.384 -4.103 -3.934 1.00 0.00 C ATOM 115 O ALA A 9 -13.204 -3.359 -4.432 1.00 0.00 O ATOM 116 CB ALA A 9 -11.249 -5.274 -5.833 1.00 0.00 C ATOM 0 H ALA A 9 -14.166 -5.598 -4.843 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.485 -6.051 -3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.320 -4.755 -5.598 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.021 -6.247 -6.267 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.824 -4.684 -6.547 1.00 0.00 H new ATOM 122 N LYS A 10 -11.745 -3.777 -2.841 1.00 0.00 N ATOM 123 CA LYS A 10 -12.017 -2.468 -2.177 1.00 0.00 C ATOM 124 C LYS A 10 -10.886 -1.483 -2.486 1.00 0.00 C ATOM 125 O LYS A 10 -9.823 -1.878 -2.923 1.00 0.00 O ATOM 126 CB LYS A 10 -12.113 -2.677 -0.663 1.00 0.00 C ATOM 127 CG LYS A 10 -13.586 -2.710 -0.246 1.00 0.00 C ATOM 128 CD LYS A 10 -13.991 -4.147 0.085 1.00 0.00 C ATOM 129 CE LYS A 10 -14.220 -4.926 -1.212 1.00 0.00 C ATOM 130 NZ LYS A 10 -15.671 -4.904 -1.554 1.00 0.00 N ATOM 0 H LYS A 10 -11.047 -4.360 -2.380 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.957 -2.063 -2.552 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.623 -3.609 -0.382 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.594 -1.874 -0.140 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.744 -2.068 0.620 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.211 -2.321 -1.050 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -13.213 -4.628 0.678 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -14.899 -4.150 0.688 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.638 -4.485 -2.021 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.878 -5.954 -1.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -15.828 -5.433 -2.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -16.216 -5.343 -0.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -15.983 -3.920 -1.681 1.00 0.00 H new ATOM 144 N PRO A 11 -11.157 -0.222 -2.253 1.00 0.00 N ATOM 145 CA PRO A 11 -10.188 0.862 -2.502 1.00 0.00 C ATOM 146 C PRO A 11 -9.153 0.947 -1.373 1.00 0.00 C ATOM 147 O PRO A 11 -9.463 1.333 -0.264 1.00 0.00 O ATOM 148 CB PRO A 11 -11.058 2.120 -2.531 1.00 0.00 C ATOM 149 CG PRO A 11 -12.346 1.777 -1.745 1.00 0.00 C ATOM 150 CD PRO A 11 -12.457 0.241 -1.727 1.00 0.00 C ATOM 0 HA PRO A 11 -9.618 0.714 -3.419 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.538 2.963 -2.076 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.293 2.406 -3.556 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.298 2.174 -0.731 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.220 2.223 -2.220 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.635 -0.134 -0.719 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.284 -0.106 -2.347 1.00 0.00 H new ATOM 158 N ALA A 12 -7.927 0.602 -1.670 1.00 0.00 N ATOM 159 CA ALA A 12 -6.827 0.655 -0.657 1.00 0.00 C ATOM 160 C ALA A 12 -7.359 0.398 0.760 1.00 0.00 C ATOM 161 O ALA A 12 -7.862 1.294 1.411 1.00 0.00 O ATOM 162 CB ALA A 12 -6.174 2.035 -0.694 1.00 0.00 C ATOM 0 H ALA A 12 -7.635 0.279 -2.592 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.102 -0.121 -0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.372 2.078 0.043 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.764 2.217 -1.688 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.919 2.796 -0.464 1.00 0.00 H new ATOM 168 N THR A 13 -7.231 -0.802 1.258 1.00 0.00 N ATOM 169 CA THR A 13 -7.712 -1.086 2.644 1.00 0.00 C ATOM 170 C THR A 13 -6.725 -0.468 3.634 1.00 0.00 C ATOM 171 O THR A 13 -5.663 -0.026 3.244 1.00 0.00 O ATOM 172 CB THR A 13 -7.777 -2.599 2.866 1.00 0.00 C ATOM 173 OG1 THR A 13 -7.317 -3.274 1.707 1.00 0.00 O ATOM 174 CG2 THR A 13 -9.222 -3.006 3.168 1.00 0.00 C ATOM 0 H THR A 13 -6.817 -1.596 0.769 1.00 0.00 H new ATOM 0 HA THR A 13 -8.706 -0.663 2.789 1.00 0.00 H new ATOM 0 HB THR A 13 -7.142 -2.871 3.709 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.950 -3.132 0.973 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.271 -4.083 3.327 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.565 -2.491 4.065 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.860 -2.734 2.327 1.00 0.00 H new ATOM 182 N PRO A 14 -7.084 -0.478 4.893 1.00 0.00 N ATOM 183 CA PRO A 14 -6.214 0.053 5.952 1.00 0.00 C ATOM 184 C PRO A 14 -5.095 -0.960 6.189 1.00 0.00 C ATOM 185 O PRO A 14 -4.156 -0.727 6.923 1.00 0.00 O ATOM 186 CB PRO A 14 -7.142 0.174 7.163 1.00 0.00 C ATOM 187 CG PRO A 14 -8.321 -0.791 6.902 1.00 0.00 C ATOM 188 CD PRO A 14 -8.363 -1.030 5.378 1.00 0.00 C ATOM 0 HA PRO A 14 -5.743 1.009 5.724 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.619 -0.090 8.082 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.496 1.198 7.281 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.180 -1.730 7.438 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.259 -0.361 7.253 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.454 -2.090 5.143 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -9.214 -0.527 4.919 1.00 0.00 H new ATOM 196 N GLU A 15 -5.209 -2.084 5.537 1.00 0.00 N ATOM 197 CA GLU A 15 -4.200 -3.156 5.644 1.00 0.00 C ATOM 198 C GLU A 15 -3.279 -3.059 4.433 1.00 0.00 C ATOM 199 O GLU A 15 -2.094 -2.819 4.544 1.00 0.00 O ATOM 200 CB GLU A 15 -4.944 -4.488 5.603 1.00 0.00 C ATOM 201 CG GLU A 15 -3.972 -5.623 5.278 1.00 0.00 C ATOM 202 CD GLU A 15 -4.733 -6.949 5.224 1.00 0.00 C ATOM 203 OE1 GLU A 15 -5.632 -7.127 6.030 1.00 0.00 O ATOM 204 OE2 GLU A 15 -4.404 -7.764 4.378 1.00 0.00 O ATOM 0 H GLU A 15 -5.988 -2.303 4.916 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.618 -3.071 6.562 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.425 -4.674 6.563 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.734 -4.449 4.853 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.482 -5.434 4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.188 -5.672 6.034 1.00 0.00 H new ATOM 211 N ILE A 16 -3.839 -3.242 3.272 1.00 0.00 N ATOM 212 CA ILE A 16 -3.033 -3.162 2.023 1.00 0.00 C ATOM 213 C ILE A 16 -2.248 -1.855 2.007 1.00 0.00 C ATOM 214 O ILE A 16 -1.057 -1.841 1.788 1.00 0.00 O ATOM 215 CB ILE A 16 -3.961 -3.206 0.807 1.00 0.00 C ATOM 216 CG1 ILE A 16 -4.814 -4.476 0.862 1.00 0.00 C ATOM 217 CG2 ILE A 16 -3.117 -3.221 -0.467 1.00 0.00 C ATOM 218 CD1 ILE A 16 -3.916 -5.702 0.674 1.00 0.00 C ATOM 0 H ILE A 16 -4.829 -3.445 3.133 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.344 -4.006 1.986 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.610 -2.331 0.810 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.335 -4.536 1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.577 -4.448 0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.772 -3.252 -1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.503 -2.321 -0.507 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.473 -4.100 -0.466 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.523 -6.607 0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.416 -5.642 -0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.169 -5.731 1.468 1.00 0.00 H new ATOM 230 N GLN A 17 -2.905 -0.753 2.230 1.00 0.00 N ATOM 231 CA GLN A 17 -2.184 0.547 2.216 1.00 0.00 C ATOM 232 C GLN A 17 -1.072 0.523 3.266 1.00 0.00 C ATOM 233 O GLN A 17 -0.046 1.153 3.108 1.00 0.00 O ATOM 234 CB GLN A 17 -3.172 1.682 2.500 1.00 0.00 C ATOM 235 CG GLN A 17 -3.435 1.797 4.003 1.00 0.00 C ATOM 236 CD GLN A 17 -4.471 2.897 4.248 1.00 0.00 C ATOM 237 OE1 GLN A 17 -5.097 2.939 5.289 1.00 0.00 O ATOM 238 NE2 GLN A 17 -4.676 3.799 3.326 1.00 0.00 N ATOM 0 H GLN A 17 -3.905 -0.696 2.420 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.736 0.713 1.236 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.773 2.623 2.121 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.108 1.498 1.974 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.796 0.846 4.395 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.509 2.028 4.530 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.151 3.764 2.452 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.361 4.539 3.480 1.00 0.00 H new ATOM 247 N GLU A 18 -1.251 -0.212 4.330 1.00 0.00 N ATOM 248 CA GLU A 18 -0.180 -0.279 5.361 1.00 0.00 C ATOM 249 C GLU A 18 1.053 -0.926 4.728 1.00 0.00 C ATOM 250 O GLU A 18 2.178 -0.582 5.029 1.00 0.00 O ATOM 251 CB GLU A 18 -0.656 -1.120 6.547 1.00 0.00 C ATOM 252 CG GLU A 18 -0.450 -0.337 7.845 1.00 0.00 C ATOM 253 CD GLU A 18 -0.351 -1.313 9.018 1.00 0.00 C ATOM 254 OE1 GLU A 18 0.690 -1.935 9.159 1.00 0.00 O ATOM 255 OE2 GLU A 18 -1.318 -1.424 9.753 1.00 0.00 O ATOM 0 H GLU A 18 -2.086 -0.764 4.528 1.00 0.00 H new ATOM 0 HA GLU A 18 0.062 0.722 5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.709 -1.374 6.427 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.104 -2.059 6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.457 0.264 7.780 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.279 0.353 8.001 1.00 0.00 H new ATOM 262 N ILE A 19 0.836 -1.854 3.836 1.00 0.00 N ATOM 263 CA ILE A 19 1.975 -2.526 3.150 1.00 0.00 C ATOM 264 C ILE A 19 2.799 -1.466 2.423 1.00 0.00 C ATOM 265 O ILE A 19 4.004 -1.565 2.289 1.00 0.00 O ATOM 266 CB ILE A 19 1.417 -3.538 2.135 1.00 0.00 C ATOM 267 CG1 ILE A 19 2.417 -4.683 1.956 1.00 0.00 C ATOM 268 CG2 ILE A 19 1.169 -2.859 0.775 1.00 0.00 C ATOM 269 CD1 ILE A 19 3.749 -4.124 1.458 1.00 0.00 C ATOM 0 H ILE A 19 -0.089 -2.177 3.551 1.00 0.00 H new ATOM 0 HA ILE A 19 2.603 -3.047 3.872 1.00 0.00 H new ATOM 0 HB ILE A 19 0.471 -3.926 2.511 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.561 -5.205 2.902 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.028 -5.412 1.245 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.774 -3.590 0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.450 -2.049 0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.107 -2.456 0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.461 -4.939 1.331 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.598 -3.621 0.503 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.139 -3.412 2.185 1.00 0.00 H new ATOM 281 N VAL A 20 2.132 -0.462 1.936 1.00 0.00 N ATOM 282 CA VAL A 20 2.817 0.625 1.191 1.00 0.00 C ATOM 283 C VAL A 20 3.754 1.381 2.138 1.00 0.00 C ATOM 284 O VAL A 20 4.764 1.909 1.732 1.00 0.00 O ATOM 285 CB VAL A 20 1.745 1.561 0.623 1.00 0.00 C ATOM 286 CG1 VAL A 20 2.347 2.924 0.261 1.00 0.00 C ATOM 287 CG2 VAL A 20 1.142 0.930 -0.629 1.00 0.00 C ATOM 0 H VAL A 20 1.122 -0.347 2.025 1.00 0.00 H new ATOM 0 HA VAL A 20 3.415 0.219 0.375 1.00 0.00 H new ATOM 0 HB VAL A 20 0.975 1.711 1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.567 3.571 -0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.775 3.381 1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.128 2.790 -0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.378 1.591 -1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.925 0.776 -1.372 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.692 -0.029 -0.372 1.00 0.00 H new ATOM 297 N ASP A 21 3.433 1.426 3.400 1.00 0.00 N ATOM 298 CA ASP A 21 4.318 2.141 4.366 1.00 0.00 C ATOM 299 C ASP A 21 5.318 1.154 4.975 1.00 0.00 C ATOM 300 O ASP A 21 6.057 1.484 5.882 1.00 0.00 O ATOM 301 CB ASP A 21 3.467 2.756 5.479 1.00 0.00 C ATOM 302 CG ASP A 21 4.367 3.522 6.447 1.00 0.00 C ATOM 303 OD1 ASP A 21 4.904 4.541 6.045 1.00 0.00 O ATOM 304 OD2 ASP A 21 4.506 3.076 7.574 1.00 0.00 O ATOM 0 H ASP A 21 2.599 1.001 3.806 1.00 0.00 H new ATOM 0 HA ASP A 21 4.860 2.929 3.844 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.721 3.426 5.052 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.926 1.974 6.011 1.00 0.00 H new ATOM 309 N LYS A 22 5.352 -0.054 4.482 1.00 0.00 N ATOM 310 CA LYS A 22 6.305 -1.059 5.031 1.00 0.00 C ATOM 311 C LYS A 22 7.242 -1.536 3.917 1.00 0.00 C ATOM 312 O LYS A 22 8.421 -1.247 3.919 1.00 0.00 O ATOM 313 CB LYS A 22 5.523 -2.250 5.587 1.00 0.00 C ATOM 314 CG LYS A 22 5.930 -2.497 7.040 1.00 0.00 C ATOM 315 CD LYS A 22 4.810 -2.033 7.974 1.00 0.00 C ATOM 316 CE LYS A 22 5.411 -1.562 9.302 1.00 0.00 C ATOM 317 NZ LYS A 22 4.379 -0.826 10.084 1.00 0.00 N ATOM 0 H LYS A 22 4.760 -0.388 3.722 1.00 0.00 H new ATOM 0 HA LYS A 22 6.893 -0.606 5.829 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.452 -2.055 5.527 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.719 -3.139 4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.132 -3.557 7.196 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.851 -1.960 7.266 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.248 -1.223 7.510 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.108 -2.848 8.150 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.773 -2.417 9.873 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.270 -0.917 9.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.788 -0.507 10.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.054 -0.001 9.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.573 -1.455 10.274 1.00 0.00 H new ATOM 331 N VAL A 23 6.724 -2.268 2.967 1.00 0.00 N ATOM 332 CA VAL A 23 7.577 -2.766 1.856 1.00 0.00 C ATOM 333 C VAL A 23 7.692 -1.694 0.777 1.00 0.00 C ATOM 334 O VAL A 23 8.490 -1.796 -0.133 1.00 0.00 O ATOM 335 CB VAL A 23 6.930 -4.008 1.255 1.00 0.00 C ATOM 336 CG1 VAL A 23 7.869 -4.619 0.223 1.00 0.00 C ATOM 337 CG2 VAL A 23 6.662 -5.021 2.363 1.00 0.00 C ATOM 0 H VAL A 23 5.743 -2.542 2.915 1.00 0.00 H new ATOM 0 HA VAL A 23 8.570 -3.006 2.237 1.00 0.00 H new ATOM 0 HB VAL A 23 5.991 -3.736 0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.408 -5.508 -0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.065 -3.893 -0.566 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.808 -4.894 0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.199 -5.911 1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.602 -5.294 2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.993 -4.582 3.103 1.00 0.00 H new ATOM 347 N LYS A 24 6.899 -0.666 0.872 1.00 0.00 N ATOM 348 CA LYS A 24 6.960 0.415 -0.149 1.00 0.00 C ATOM 349 C LYS A 24 7.102 1.772 0.549 1.00 0.00 C ATOM 350 O LYS A 24 6.350 2.685 0.276 1.00 0.00 O ATOM 351 CB LYS A 24 5.667 0.402 -0.973 1.00 0.00 C ATOM 352 CG LYS A 24 5.104 -1.021 -1.039 1.00 0.00 C ATOM 353 CD LYS A 24 4.119 -1.125 -2.205 1.00 0.00 C ATOM 354 CE LYS A 24 3.471 -2.511 -2.206 1.00 0.00 C ATOM 355 NZ LYS A 24 3.539 -3.089 -3.578 1.00 0.00 N ATOM 0 H LYS A 24 6.211 -0.527 1.612 1.00 0.00 H new ATOM 0 HA LYS A 24 7.817 0.252 -0.803 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.933 1.072 -0.525 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.863 0.772 -1.979 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.914 -1.739 -1.168 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.604 -1.270 -0.103 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.353 -0.354 -2.117 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.637 -0.954 -3.149 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.982 -3.164 -1.499 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.433 -2.439 -1.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.423 -4.121 -3.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.781 -2.684 -4.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.461 -2.866 -4.004 1.00 0.00 H new ATOM 369 N PRO A 25 8.075 1.873 1.427 1.00 0.00 N ATOM 370 CA PRO A 25 8.335 3.115 2.176 1.00 0.00 C ATOM 371 C PRO A 25 8.950 4.176 1.266 1.00 0.00 C ATOM 372 O PRO A 25 9.239 5.278 1.689 1.00 0.00 O ATOM 373 CB PRO A 25 9.312 2.686 3.270 1.00 0.00 C ATOM 374 CG PRO A 25 9.983 1.390 2.762 1.00 0.00 C ATOM 375 CD PRO A 25 9.008 0.770 1.743 1.00 0.00 C ATOM 0 HA PRO A 25 7.429 3.564 2.583 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.054 3.462 3.456 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.791 2.512 4.211 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.945 1.606 2.298 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.174 0.702 3.586 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.530 0.421 0.852 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.484 -0.089 2.163 1.00 0.00 H new ATOM 383 N GLN A 26 9.107 3.878 0.008 1.00 0.00 N ATOM 384 CA GLN A 26 9.645 4.888 -0.926 1.00 0.00 C ATOM 385 C GLN A 26 8.519 5.155 -1.891 1.00 0.00 C ATOM 386 O GLN A 26 8.138 6.268 -2.140 1.00 0.00 O ATOM 387 CB GLN A 26 10.864 4.339 -1.670 1.00 0.00 C ATOM 388 CG GLN A 26 12.063 4.291 -0.720 1.00 0.00 C ATOM 389 CD GLN A 26 12.160 2.900 -0.092 1.00 0.00 C ATOM 390 OE1 GLN A 26 11.738 1.924 -0.680 1.00 0.00 O ATOM 391 NE2 GLN A 26 12.705 2.766 1.086 1.00 0.00 N ATOM 0 H GLN A 26 8.884 2.975 -0.409 1.00 0.00 H new ATOM 0 HA GLN A 26 9.973 5.790 -0.410 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.650 3.341 -2.054 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.093 4.969 -2.530 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.980 4.522 -1.262 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.954 5.046 0.058 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.059 3.585 1.580 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.777 1.842 1.513 1.00 0.00 H new ATOM 400 N LEU A 27 7.937 4.104 -2.368 1.00 0.00 N ATOM 401 CA LEU A 27 6.783 4.224 -3.274 1.00 0.00 C ATOM 402 C LEU A 27 5.608 4.844 -2.497 1.00 0.00 C ATOM 403 O LEU A 27 4.581 5.180 -3.055 1.00 0.00 O ATOM 404 CB LEU A 27 6.426 2.813 -3.733 1.00 0.00 C ATOM 405 CG LEU A 27 7.705 2.063 -4.146 1.00 0.00 C ATOM 406 CD1 LEU A 27 7.572 0.574 -3.826 1.00 0.00 C ATOM 407 CD2 LEU A 27 7.929 2.252 -5.647 1.00 0.00 C ATOM 0 H LEU A 27 8.221 3.146 -2.162 1.00 0.00 H new ATOM 0 HA LEU A 27 7.007 4.856 -4.133 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.921 2.276 -2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.732 2.858 -4.572 1.00 0.00 H new ATOM 0 HG LEU A 27 8.554 2.463 -3.592 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.483 0.055 -4.123 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.413 0.445 -2.755 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.724 0.159 -4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.833 1.724 -5.949 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.076 1.853 -6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.038 3.314 -5.868 1.00 0.00 H new ATOM 419 N GLU A 28 5.763 4.981 -1.203 1.00 0.00 N ATOM 420 CA GLU A 28 4.686 5.556 -0.343 1.00 0.00 C ATOM 421 C GLU A 28 4.863 7.069 -0.161 1.00 0.00 C ATOM 422 O GLU A 28 3.966 7.743 0.307 1.00 0.00 O ATOM 423 CB GLU A 28 4.749 4.896 1.034 1.00 0.00 C ATOM 424 CG GLU A 28 3.563 5.366 1.878 1.00 0.00 C ATOM 425 CD GLU A 28 3.954 6.631 2.645 1.00 0.00 C ATOM 426 OE1 GLU A 28 5.126 6.971 2.629 1.00 0.00 O ATOM 427 OE2 GLU A 28 3.075 7.238 3.237 1.00 0.00 O ATOM 0 H GLU A 28 6.608 4.713 -0.698 1.00 0.00 H new ATOM 0 HA GLU A 28 3.727 5.371 -0.828 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.729 3.811 0.931 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.686 5.151 1.529 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.704 5.567 1.238 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.265 4.582 2.575 1.00 0.00 H new ATOM 434 N GLU A 29 6.000 7.622 -0.497 1.00 0.00 N ATOM 435 CA GLU A 29 6.174 9.092 -0.297 1.00 0.00 C ATOM 436 C GLU A 29 7.071 9.629 -1.399 1.00 0.00 C ATOM 437 O GLU A 29 7.630 10.704 -1.308 1.00 0.00 O ATOM 438 CB GLU A 29 6.823 9.354 1.063 1.00 0.00 C ATOM 439 CG GLU A 29 8.090 8.506 1.196 1.00 0.00 C ATOM 440 CD GLU A 29 8.722 8.739 2.570 1.00 0.00 C ATOM 441 OE1 GLU A 29 9.095 9.868 2.846 1.00 0.00 O ATOM 442 OE2 GLU A 29 8.826 7.785 3.322 1.00 0.00 O ATOM 0 H GLU A 29 6.801 7.131 -0.894 1.00 0.00 H new ATOM 0 HA GLU A 29 5.204 9.588 -0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.068 10.411 1.163 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.125 9.111 1.864 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.848 7.451 1.070 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.798 8.767 0.410 1.00 0.00 H new ATOM 449 N LYS A 30 7.206 8.872 -2.438 1.00 0.00 N ATOM 450 CA LYS A 30 8.052 9.283 -3.572 1.00 0.00 C ATOM 451 C LYS A 30 7.188 10.044 -4.548 1.00 0.00 C ATOM 452 O LYS A 30 7.408 11.208 -4.820 1.00 0.00 O ATOM 453 CB LYS A 30 8.582 8.014 -4.211 1.00 0.00 C ATOM 454 CG LYS A 30 9.904 8.298 -4.931 1.00 0.00 C ATOM 455 CD LYS A 30 10.545 6.979 -5.366 1.00 0.00 C ATOM 456 CE LYS A 30 10.979 7.079 -6.831 1.00 0.00 C ATOM 457 NZ LYS A 30 11.659 8.385 -7.062 1.00 0.00 N ATOM 0 H LYS A 30 6.754 7.964 -2.550 1.00 0.00 H new ATOM 0 HA LYS A 30 8.881 9.919 -3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.731 7.249 -3.449 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.851 7.621 -4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.728 8.932 -5.800 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.580 8.842 -4.271 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.406 6.756 -4.735 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.837 6.160 -5.241 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.652 6.258 -7.078 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.112 6.988 -7.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.401 8.268 -7.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.964 9.085 -7.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.087 8.715 -6.174 1.00 0.00 H new ATOM 471 N THR A 31 6.182 9.403 -5.052 1.00 0.00 N ATOM 472 CA THR A 31 5.261 10.094 -5.980 1.00 0.00 C ATOM 473 C THR A 31 4.927 11.447 -5.357 1.00 0.00 C ATOM 474 O THR A 31 4.682 12.422 -6.041 1.00 0.00 O ATOM 475 CB THR A 31 4.006 9.234 -6.136 1.00 0.00 C ATOM 476 OG1 THR A 31 3.474 9.402 -7.442 1.00 0.00 O ATOM 477 CG2 THR A 31 2.943 9.613 -5.095 1.00 0.00 C ATOM 0 H THR A 31 5.957 8.427 -4.861 1.00 0.00 H new ATOM 0 HA THR A 31 5.701 10.245 -6.966 1.00 0.00 H new ATOM 0 HB THR A 31 4.283 8.191 -5.979 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.090 9.943 -7.979 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.062 8.986 -5.230 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.345 9.463 -4.093 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.666 10.660 -5.222 1.00 0.00 H new ATOM 485 N ASN A 32 4.942 11.490 -4.047 1.00 0.00 N ATOM 486 CA ASN A 32 4.655 12.752 -3.318 1.00 0.00 C ATOM 487 C ASN A 32 3.577 13.535 -4.067 1.00 0.00 C ATOM 488 O ASN A 32 3.706 14.720 -4.309 1.00 0.00 O ATOM 489 CB ASN A 32 5.953 13.563 -3.217 1.00 0.00 C ATOM 490 CG ASN A 32 6.223 14.290 -4.538 1.00 0.00 C ATOM 491 OD1 ASN A 32 6.579 13.675 -5.523 1.00 0.00 O ATOM 492 ND2 ASN A 32 6.069 15.584 -4.598 1.00 0.00 N ATOM 0 H ASN A 32 5.145 10.689 -3.449 1.00 0.00 H new ATOM 0 HA ASN A 32 4.288 12.542 -2.313 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.877 14.285 -2.404 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.787 12.902 -2.980 1.00 0.00 H new ATOM 0 HD21 ASN A 32 6.248 16.079 -5.472 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.770 16.101 -3.771 1.00 0.00 H new ATOM 499 N GLU A 33 2.513 12.876 -4.447 1.00 0.00 N ATOM 500 CA GLU A 33 1.435 13.583 -5.193 1.00 0.00 C ATOM 501 C GLU A 33 0.611 14.434 -4.229 1.00 0.00 C ATOM 502 O GLU A 33 0.563 14.178 -3.041 1.00 0.00 O ATOM 503 CB GLU A 33 0.528 12.555 -5.872 1.00 0.00 C ATOM 504 CG GLU A 33 1.190 12.068 -7.163 1.00 0.00 C ATOM 505 CD GLU A 33 0.799 12.990 -8.318 1.00 0.00 C ATOM 506 OE1 GLU A 33 0.500 14.144 -8.054 1.00 0.00 O ATOM 507 OE2 GLU A 33 0.807 12.530 -9.449 1.00 0.00 O ATOM 0 H GLU A 33 2.346 11.885 -4.273 1.00 0.00 H new ATOM 0 HA GLU A 33 1.883 14.229 -5.948 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.348 11.714 -5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.442 12.999 -6.093 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.274 12.055 -7.046 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.880 11.046 -7.379 1.00 0.00 H new ATOM 514 N THR A 34 -0.044 15.448 -4.729 1.00 0.00 N ATOM 515 CA THR A 34 -0.865 16.314 -3.838 1.00 0.00 C ATOM 516 C THR A 34 -2.278 15.742 -3.737 1.00 0.00 C ATOM 517 O THR A 34 -3.253 16.466 -3.680 1.00 0.00 O ATOM 518 CB THR A 34 -0.922 17.732 -4.413 1.00 0.00 C ATOM 519 OG1 THR A 34 -1.695 18.557 -3.552 1.00 0.00 O ATOM 520 CG2 THR A 34 -1.560 17.699 -5.800 1.00 0.00 C ATOM 0 H THR A 34 -0.045 15.712 -5.714 1.00 0.00 H new ATOM 0 HA THR A 34 -0.416 16.347 -2.845 1.00 0.00 H new ATOM 0 HB THR A 34 0.088 18.133 -4.493 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.548 18.116 -3.355 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.599 18.710 -6.207 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.966 17.066 -6.459 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.571 17.298 -5.726 1.00 0.00 H new ATOM 528 N TYR A 35 -2.391 14.445 -3.703 1.00 0.00 N ATOM 529 CA TYR A 35 -3.732 13.808 -3.597 1.00 0.00 C ATOM 530 C TYR A 35 -3.641 12.610 -2.663 1.00 0.00 C ATOM 531 O TYR A 35 -2.766 12.521 -1.823 1.00 0.00 O ATOM 532 CB TYR A 35 -4.188 13.313 -4.971 1.00 0.00 C ATOM 533 CG TYR A 35 -3.721 14.272 -6.042 1.00 0.00 C ATOM 534 CD1 TYR A 35 -4.305 15.539 -6.148 1.00 0.00 C ATOM 535 CD2 TYR A 35 -2.707 13.891 -6.932 1.00 0.00 C ATOM 536 CE1 TYR A 35 -3.878 16.428 -7.143 1.00 0.00 C ATOM 537 CE2 TYR A 35 -2.280 14.781 -7.927 1.00 0.00 C ATOM 538 CZ TYR A 35 -2.865 16.048 -8.033 1.00 0.00 C ATOM 539 OH TYR A 35 -2.446 16.923 -9.012 1.00 0.00 O ATOM 0 H TYR A 35 -1.607 13.794 -3.744 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.443 14.541 -3.216 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.786 12.318 -5.161 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.274 13.228 -4.995 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.086 15.832 -5.462 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.256 12.913 -6.851 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.330 17.406 -7.224 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.499 14.489 -8.613 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.737 16.504 -9.543 1.00 0.00 H new ATOM 549 N GLY A 36 -4.526 11.674 -2.828 1.00 0.00 N ATOM 550 CA GLY A 36 -4.493 10.457 -1.982 1.00 0.00 C ATOM 551 C GLY A 36 -4.153 9.273 -2.879 1.00 0.00 C ATOM 552 O GLY A 36 -4.991 8.441 -3.165 1.00 0.00 O ATOM 0 H GLY A 36 -5.277 11.700 -3.518 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.751 10.562 -1.191 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.457 10.304 -1.496 1.00 0.00 H new ATOM 556 N LYS A 37 -2.928 9.180 -3.324 1.00 0.00 N ATOM 557 CA LYS A 37 -2.546 8.053 -4.193 1.00 0.00 C ATOM 558 C LYS A 37 -1.189 7.574 -3.709 1.00 0.00 C ATOM 559 O LYS A 37 -0.380 7.074 -4.438 1.00 0.00 O ATOM 560 CB LYS A 37 -2.458 8.519 -5.647 1.00 0.00 C ATOM 561 CG LYS A 37 -3.860 8.552 -6.259 1.00 0.00 C ATOM 562 CD LYS A 37 -3.788 9.138 -7.671 1.00 0.00 C ATOM 563 CE LYS A 37 -3.753 10.666 -7.585 1.00 0.00 C ATOM 564 NZ LYS A 37 -4.393 11.245 -8.800 1.00 0.00 N ATOM 0 H LYS A 37 -2.181 9.843 -3.117 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.282 7.251 -4.148 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.005 9.509 -5.696 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.817 7.847 -6.217 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.277 7.546 -6.293 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.525 9.152 -5.638 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.899 8.771 -8.184 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.650 8.815 -8.255 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.276 11.003 -6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.723 11.013 -7.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.677 12.227 -8.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.717 11.229 -9.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.232 10.684 -9.051 1.00 0.00 H new ATOM 578 N LEU A 38 -0.936 7.771 -2.467 1.00 0.00 N ATOM 579 CA LEU A 38 0.350 7.397 -1.884 1.00 0.00 C ATOM 580 C LEU A 38 0.122 6.220 -0.947 1.00 0.00 C ATOM 581 O LEU A 38 0.362 6.307 0.241 1.00 0.00 O ATOM 582 CB LEU A 38 0.807 8.586 -1.074 1.00 0.00 C ATOM 583 CG LEU A 38 0.501 9.911 -1.809 1.00 0.00 C ATOM 584 CD1 LEU A 38 0.524 9.747 -3.336 1.00 0.00 C ATOM 585 CD2 LEU A 38 -0.852 10.462 -1.362 1.00 0.00 C ATOM 0 H LEU A 38 -1.593 8.191 -1.810 1.00 0.00 H new ATOM 0 HA LEU A 38 1.083 7.125 -2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.310 8.582 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.878 8.511 -0.884 1.00 0.00 H new ATOM 0 HG LEU A 38 1.288 10.617 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.303 10.704 -3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.510 9.406 -3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.225 9.014 -3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.056 11.395 -1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.634 9.738 -1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.833 10.646 -0.288 1.00 0.00 H new ATOM 597 N GLU A 39 -0.388 5.141 -1.452 1.00 0.00 N ATOM 598 CA GLU A 39 -0.681 3.995 -0.562 1.00 0.00 C ATOM 599 C GLU A 39 -1.276 2.858 -1.383 1.00 0.00 C ATOM 600 O GLU A 39 -1.006 2.725 -2.560 1.00 0.00 O ATOM 601 CB GLU A 39 -1.673 4.476 0.492 1.00 0.00 C ATOM 602 CG GLU A 39 -1.095 4.229 1.887 1.00 0.00 C ATOM 603 CD GLU A 39 -2.017 4.849 2.940 1.00 0.00 C ATOM 604 OE1 GLU A 39 -2.470 5.960 2.720 1.00 0.00 O ATOM 605 OE2 GLU A 39 -2.254 4.202 3.947 1.00 0.00 O ATOM 0 H GLU A 39 -0.614 5.002 -2.437 1.00 0.00 H new ATOM 0 HA GLU A 39 0.224 3.626 -0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.879 5.537 0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.621 3.950 0.381 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.991 3.159 2.065 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.098 4.663 1.961 1.00 0.00 H new ATOM 612 N ALA A 40 -2.083 2.038 -0.784 1.00 0.00 N ATOM 613 CA ALA A 40 -2.684 0.918 -1.555 1.00 0.00 C ATOM 614 C ALA A 40 -3.706 1.461 -2.547 1.00 0.00 C ATOM 615 O ALA A 40 -4.290 2.506 -2.354 1.00 0.00 O ATOM 616 CB ALA A 40 -3.374 -0.059 -0.603 1.00 0.00 C ATOM 0 H ALA A 40 -2.353 2.091 0.198 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.893 0.399 -2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.812 -0.877 -1.175 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.644 -0.459 0.100 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.159 0.461 -0.054 1.00 0.00 H new ATOM 622 N VAL A 41 -3.924 0.742 -3.607 1.00 0.00 N ATOM 623 CA VAL A 41 -4.907 1.178 -4.632 1.00 0.00 C ATOM 624 C VAL A 41 -6.201 0.404 -4.413 1.00 0.00 C ATOM 625 O VAL A 41 -7.292 0.928 -4.529 1.00 0.00 O ATOM 626 CB VAL A 41 -4.319 0.879 -6.028 1.00 0.00 C ATOM 627 CG1 VAL A 41 -5.195 -0.102 -6.788 1.00 0.00 C ATOM 628 CG2 VAL A 41 -4.231 2.169 -6.833 1.00 0.00 C ATOM 0 H VAL A 41 -3.457 -0.142 -3.810 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.114 2.245 -4.556 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.329 0.445 -5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.759 -0.296 -7.768 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.264 -1.036 -6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.192 0.321 -6.912 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.816 1.956 -7.818 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.227 2.597 -6.944 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.587 2.879 -6.314 1.00 0.00 H new ATOM 638 N GLN A 42 -6.072 -0.853 -4.118 1.00 0.00 N ATOM 639 CA GLN A 42 -7.262 -1.702 -3.907 1.00 0.00 C ATOM 640 C GLN A 42 -6.797 -3.151 -3.861 1.00 0.00 C ATOM 641 O GLN A 42 -5.699 -3.475 -4.265 1.00 0.00 O ATOM 642 CB GLN A 42 -8.261 -1.460 -5.064 1.00 0.00 C ATOM 643 CG GLN A 42 -8.811 -2.787 -5.632 1.00 0.00 C ATOM 644 CD GLN A 42 -7.720 -3.472 -6.460 1.00 0.00 C ATOM 645 OE1 GLN A 42 -7.425 -4.715 -6.211 1.00 0.00 O flip ATOM 646 NE2 GLN A 42 -7.138 -2.870 -7.342 1.00 0.00 N flip ATOM 0 H GLN A 42 -5.178 -1.333 -4.013 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.768 -1.462 -2.972 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.088 -0.846 -4.708 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.768 -0.900 -5.859 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.131 -3.439 -4.819 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.688 -2.596 -6.251 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.372 -1.896 -7.535 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.416 -3.339 -7.889 1.00 0.00 H new ATOM 655 N TYR A 43 -7.619 -4.022 -3.378 1.00 0.00 N ATOM 656 CA TYR A 43 -7.223 -5.442 -3.311 1.00 0.00 C ATOM 657 C TYR A 43 -8.453 -6.305 -3.556 1.00 0.00 C ATOM 658 O TYR A 43 -9.419 -6.252 -2.821 1.00 0.00 O ATOM 659 CB TYR A 43 -6.646 -5.740 -1.937 1.00 0.00 C ATOM 660 CG TYR A 43 -7.711 -5.502 -0.893 1.00 0.00 C ATOM 661 CD1 TYR A 43 -8.269 -4.224 -0.724 1.00 0.00 C ATOM 662 CD2 TYR A 43 -8.150 -6.565 -0.102 1.00 0.00 C ATOM 663 CE1 TYR A 43 -9.265 -4.022 0.238 1.00 0.00 C ATOM 664 CE2 TYR A 43 -9.146 -6.362 0.858 1.00 0.00 C ATOM 665 CZ TYR A 43 -9.704 -5.091 1.029 1.00 0.00 C ATOM 666 OH TYR A 43 -10.688 -4.892 1.976 1.00 0.00 O ATOM 0 H TYR A 43 -8.553 -3.812 -3.025 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.468 -5.658 -4.067 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.298 -6.772 -1.891 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -5.782 -5.103 -1.745 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -7.930 -3.400 -1.335 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -7.719 -7.547 -0.232 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.696 -3.040 0.371 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -9.485 -7.187 1.468 1.00 0.00 H new ATOM 0 HH TYR A 43 -10.875 -5.737 2.436 1.00 0.00 H new ATOM 676 N LYS A 44 -8.437 -7.085 -4.596 1.00 0.00 N ATOM 677 CA LYS A 44 -9.616 -7.929 -4.889 1.00 0.00 C ATOM 678 C LYS A 44 -9.433 -9.290 -4.213 1.00 0.00 C ATOM 679 O LYS A 44 -8.328 -9.742 -4.002 1.00 0.00 O ATOM 680 CB LYS A 44 -9.787 -8.054 -6.422 1.00 0.00 C ATOM 681 CG LYS A 44 -9.703 -9.511 -6.912 1.00 0.00 C ATOM 682 CD LYS A 44 -11.084 -10.174 -6.828 1.00 0.00 C ATOM 683 CE LYS A 44 -12.096 -9.369 -7.646 1.00 0.00 C ATOM 684 NZ LYS A 44 -12.659 -10.229 -8.725 1.00 0.00 N ATOM 0 H LYS A 44 -7.661 -7.173 -5.252 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.526 -7.478 -4.493 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.750 -7.632 -6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.018 -7.463 -6.919 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.340 -9.537 -7.939 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.987 -10.066 -6.306 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.030 -11.196 -7.203 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.407 -10.232 -5.789 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.896 -9.007 -7.000 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.615 -8.492 -8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.242 -9.649 -9.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.882 -10.663 -9.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.246 -10.976 -8.303 1.00 0.00 H new ATOM 698 N THR A 45 -10.501 -9.946 -3.870 1.00 0.00 N ATOM 699 CA THR A 45 -10.368 -11.270 -3.212 1.00 0.00 C ATOM 700 C THR A 45 -11.100 -12.329 -4.034 1.00 0.00 C ATOM 701 O THR A 45 -12.124 -12.070 -4.636 1.00 0.00 O ATOM 702 CB THR A 45 -10.983 -11.209 -1.813 1.00 0.00 C ATOM 703 OG1 THR A 45 -11.749 -10.019 -1.687 1.00 0.00 O ATOM 704 CG2 THR A 45 -9.877 -11.220 -0.760 1.00 0.00 C ATOM 0 H THR A 45 -11.458 -9.624 -4.016 1.00 0.00 H new ATOM 0 HA THR A 45 -9.312 -11.529 -3.139 1.00 0.00 H new ATOM 0 HB THR A 45 -11.627 -12.076 -1.663 1.00 0.00 H new ATOM 0 HG1 THR A 45 -12.146 -9.979 -0.792 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.321 -11.176 0.235 1.00 0.00 H new ATOM 0 HG22 THR A 45 -9.292 -12.135 -0.856 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.227 -10.357 -0.906 1.00 0.00 H new ATOM 712 N GLN A 46 -10.582 -13.522 -4.053 1.00 0.00 N ATOM 713 CA GLN A 46 -11.237 -14.614 -4.821 1.00 0.00 C ATOM 714 C GLN A 46 -10.628 -15.946 -4.388 1.00 0.00 C ATOM 715 O GLN A 46 -9.613 -15.985 -3.726 1.00 0.00 O ATOM 716 CB GLN A 46 -11.008 -14.410 -6.321 1.00 0.00 C ATOM 717 CG GLN A 46 -9.668 -13.706 -6.548 1.00 0.00 C ATOM 718 CD GLN A 46 -9.276 -13.825 -8.022 1.00 0.00 C ATOM 719 OE1 GLN A 46 -9.715 -14.726 -8.709 1.00 0.00 O ATOM 720 NE2 GLN A 46 -8.464 -12.947 -8.542 1.00 0.00 N ATOM 0 H GLN A 46 -9.727 -13.790 -3.566 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.309 -14.609 -4.626 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.016 -15.372 -6.834 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -11.818 -13.816 -6.745 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.743 -12.656 -6.264 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -8.899 -14.153 -5.918 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.095 -12.190 -7.966 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.198 -13.017 -9.524 1.00 0.00 H new ATOM 729 N VAL A 47 -11.241 -17.034 -4.749 1.00 0.00 N ATOM 730 CA VAL A 47 -10.692 -18.362 -4.354 1.00 0.00 C ATOM 731 C VAL A 47 -9.741 -18.857 -5.427 1.00 0.00 C ATOM 732 O VAL A 47 -9.182 -18.082 -6.177 1.00 0.00 O ATOM 733 CB VAL A 47 -11.830 -19.375 -4.173 1.00 0.00 C ATOM 734 CG1 VAL A 47 -11.549 -20.246 -2.947 1.00 0.00 C ATOM 735 CG2 VAL A 47 -13.159 -18.639 -3.969 1.00 0.00 C ATOM 0 H VAL A 47 -12.099 -17.064 -5.300 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.158 -18.256 -3.410 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.894 -19.999 -5.065 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.358 -20.965 -2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.608 -20.779 -3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.481 -19.615 -2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -13.961 -19.366 -3.841 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -13.094 -18.010 -3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -13.368 -18.017 -4.839 1.00 0.00 H new ATOM 745 N VAL A 48 -9.546 -20.144 -5.471 1.00 0.00 N ATOM 746 CA VAL A 48 -8.615 -20.760 -6.454 1.00 0.00 C ATOM 747 C VAL A 48 -8.356 -22.184 -5.983 1.00 0.00 C ATOM 748 O VAL A 48 -8.418 -23.148 -6.719 1.00 0.00 O ATOM 749 CB VAL A 48 -7.294 -19.953 -6.460 1.00 0.00 C ATOM 750 CG1 VAL A 48 -6.200 -20.625 -5.617 1.00 0.00 C ATOM 751 CG2 VAL A 48 -6.802 -19.792 -7.899 1.00 0.00 C ATOM 0 H VAL A 48 -10.005 -20.811 -4.851 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.030 -20.760 -7.462 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.500 -18.979 -6.017 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.292 -20.022 -5.652 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.538 -20.712 -4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.992 -21.618 -6.016 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.872 -19.224 -7.904 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.629 -20.775 -8.337 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.554 -19.262 -8.484 1.00 0.00 H new ATOM 761 N ALA A 49 -8.040 -22.261 -4.733 1.00 0.00 N ATOM 762 CA ALA A 49 -7.714 -23.543 -4.054 1.00 0.00 C ATOM 763 C ALA A 49 -6.740 -23.178 -2.938 1.00 0.00 C ATOM 764 O ALA A 49 -5.697 -23.773 -2.765 1.00 0.00 O ATOM 765 CB ALA A 49 -7.057 -24.516 -5.036 1.00 0.00 C ATOM 0 H ALA A 49 -7.991 -21.448 -4.119 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.608 -24.033 -3.668 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.825 -25.449 -4.523 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.740 -24.716 -5.862 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.138 -24.077 -5.424 1.00 0.00 H new ATOM 771 N GLY A 50 -7.088 -22.152 -2.212 1.00 0.00 N ATOM 772 CA GLY A 50 -6.233 -21.633 -1.112 1.00 0.00 C ATOM 773 C GLY A 50 -6.668 -20.187 -0.855 1.00 0.00 C ATOM 774 O GLY A 50 -6.556 -19.680 0.243 1.00 0.00 O ATOM 0 H GLY A 50 -7.959 -21.637 -2.342 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.351 -22.238 -0.213 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.180 -21.676 -1.389 1.00 0.00 H new ATOM 778 N THR A 51 -7.185 -19.552 -1.894 1.00 0.00 N ATOM 779 CA THR A 51 -7.697 -18.145 -1.827 1.00 0.00 C ATOM 780 C THR A 51 -6.725 -17.181 -2.509 1.00 0.00 C ATOM 781 O THR A 51 -5.701 -16.820 -1.960 1.00 0.00 O ATOM 782 CB THR A 51 -7.898 -17.710 -0.386 1.00 0.00 C ATOM 783 OG1 THR A 51 -8.647 -18.698 0.308 1.00 0.00 O ATOM 784 CG2 THR A 51 -8.653 -16.380 -0.361 1.00 0.00 C ATOM 0 H THR A 51 -7.273 -19.975 -2.818 1.00 0.00 H new ATOM 0 HA THR A 51 -8.655 -18.120 -2.347 1.00 0.00 H new ATOM 0 HB THR A 51 -6.929 -17.588 0.098 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.049 -19.214 0.888 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.799 -16.064 0.672 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.076 -15.624 -0.893 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.623 -16.503 -0.844 1.00 0.00 H new ATOM 792 N ASN A 52 -7.045 -16.750 -3.703 1.00 0.00 N ATOM 793 CA ASN A 52 -6.149 -15.799 -4.422 1.00 0.00 C ATOM 794 C ASN A 52 -6.373 -14.371 -3.903 1.00 0.00 C ATOM 795 O ASN A 52 -7.465 -14.006 -3.512 1.00 0.00 O ATOM 796 CB ASN A 52 -6.477 -15.830 -5.913 1.00 0.00 C ATOM 797 CG ASN A 52 -5.180 -15.779 -6.724 1.00 0.00 C ATOM 798 OD1 ASN A 52 -4.891 -14.790 -7.366 1.00 0.00 O ATOM 799 ND2 ASN A 52 -4.380 -16.812 -6.720 1.00 0.00 N ATOM 0 H ASN A 52 -7.889 -17.017 -4.210 1.00 0.00 H new ATOM 0 HA ASN A 52 -5.113 -16.092 -4.253 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -7.034 -16.735 -6.155 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.114 -14.985 -6.173 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.513 -16.787 -7.256 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.623 -17.643 -6.181 1.00 0.00 H new ATOM 806 N TYR A 53 -5.350 -13.555 -3.924 1.00 0.00 N ATOM 807 CA TYR A 53 -5.504 -12.141 -3.465 1.00 0.00 C ATOM 808 C TYR A 53 -4.793 -11.220 -4.453 1.00 0.00 C ATOM 809 O TYR A 53 -3.621 -11.373 -4.734 1.00 0.00 O ATOM 810 CB TYR A 53 -4.890 -11.946 -2.074 1.00 0.00 C ATOM 811 CG TYR A 53 -5.371 -13.020 -1.128 1.00 0.00 C ATOM 812 CD1 TYR A 53 -6.717 -13.071 -0.753 1.00 0.00 C ATOM 813 CD2 TYR A 53 -4.466 -13.957 -0.613 1.00 0.00 C ATOM 814 CE1 TYR A 53 -7.161 -14.057 0.136 1.00 0.00 C ATOM 815 CE2 TYR A 53 -4.909 -14.942 0.278 1.00 0.00 C ATOM 816 CZ TYR A 53 -6.256 -14.992 0.653 1.00 0.00 C ATOM 817 OH TYR A 53 -6.691 -15.961 1.534 1.00 0.00 O ATOM 0 H TYR A 53 -4.413 -13.807 -4.240 1.00 0.00 H new ATOM 0 HA TYR A 53 -6.567 -11.905 -3.413 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.803 -11.974 -2.143 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.159 -10.964 -1.686 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.415 -12.349 -1.150 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.426 -13.920 -0.903 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -8.201 -14.097 0.423 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.211 -15.663 0.676 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.936 -16.529 1.795 1.00 0.00 H new ATOM 827 N TYR A 54 -5.500 -10.267 -4.985 1.00 0.00 N ATOM 828 CA TYR A 54 -4.888 -9.329 -5.965 1.00 0.00 C ATOM 829 C TYR A 54 -4.646 -7.976 -5.295 1.00 0.00 C ATOM 830 O TYR A 54 -5.572 -7.243 -5.024 1.00 0.00 O ATOM 831 CB TYR A 54 -5.855 -9.144 -7.132 1.00 0.00 C ATOM 832 CG TYR A 54 -5.090 -9.194 -8.431 1.00 0.00 C ATOM 833 CD1 TYR A 54 -4.320 -10.319 -8.744 1.00 0.00 C ATOM 834 CD2 TYR A 54 -5.150 -8.114 -9.323 1.00 0.00 C ATOM 835 CE1 TYR A 54 -3.608 -10.366 -9.947 1.00 0.00 C ATOM 836 CE2 TYR A 54 -4.438 -8.163 -10.526 1.00 0.00 C ATOM 837 CZ TYR A 54 -3.666 -9.289 -10.838 1.00 0.00 C ATOM 838 OH TYR A 54 -2.963 -9.337 -12.025 1.00 0.00 O ATOM 0 H TYR A 54 -6.485 -10.095 -4.782 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.939 -9.731 -6.321 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.616 -9.924 -7.115 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.375 -8.190 -7.040 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.275 -11.151 -8.057 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.745 -7.246 -9.082 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -3.013 -11.234 -10.188 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.484 -7.332 -11.214 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.113 -8.509 -12.528 1.00 0.00 H new ATOM 848 N ILE A 55 -3.416 -7.635 -5.010 1.00 0.00 N ATOM 849 CA ILE A 55 -3.159 -6.332 -4.349 1.00 0.00 C ATOM 850 C ILE A 55 -2.542 -5.340 -5.330 1.00 0.00 C ATOM 851 O ILE A 55 -1.339 -5.238 -5.456 1.00 0.00 O ATOM 852 CB ILE A 55 -2.207 -6.547 -3.175 1.00 0.00 C ATOM 853 CG1 ILE A 55 -2.623 -7.804 -2.405 1.00 0.00 C ATOM 854 CG2 ILE A 55 -2.261 -5.334 -2.249 1.00 0.00 C ATOM 855 CD1 ILE A 55 -4.096 -7.700 -2.003 1.00 0.00 C ATOM 0 H ILE A 55 -2.589 -8.199 -5.206 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.106 -5.924 -3.995 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.190 -6.672 -3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.466 -8.689 -3.022 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.001 -7.921 -1.517 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.582 -5.486 -1.410 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.963 -4.442 -2.800 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.277 -5.207 -1.875 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.388 -8.596 -1.456 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.239 -6.825 -1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.711 -7.605 -2.898 1.00 0.00 H new ATOM 867 N LYS A 56 -3.361 -4.571 -5.987 1.00 0.00 N ATOM 868 CA LYS A 56 -2.842 -3.545 -6.915 1.00 0.00 C ATOM 869 C LYS A 56 -2.528 -2.329 -6.052 1.00 0.00 C ATOM 870 O LYS A 56 -3.405 -1.795 -5.403 1.00 0.00 O ATOM 871 CB LYS A 56 -3.932 -3.206 -7.927 1.00 0.00 C ATOM 872 CG LYS A 56 -3.344 -2.366 -9.061 1.00 0.00 C ATOM 873 CD LYS A 56 -4.474 -1.664 -9.816 1.00 0.00 C ATOM 874 CE LYS A 56 -4.425 -2.064 -11.291 1.00 0.00 C ATOM 875 NZ LYS A 56 -5.354 -3.206 -11.527 1.00 0.00 N ATOM 0 H LYS A 56 -4.378 -4.614 -5.917 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.959 -3.880 -7.460 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.366 -4.122 -8.328 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.738 -2.659 -7.438 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.649 -1.629 -8.659 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.777 -3.001 -9.742 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.438 -1.937 -9.386 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.375 -0.583 -9.718 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.705 -1.218 -11.918 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.409 -2.344 -11.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.321 -3.479 -12.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.067 -4.014 -10.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.323 -2.923 -11.277 1.00 0.00 H new ATOM 889 N VAL A 57 -1.301 -1.908 -5.971 1.00 0.00 N ATOM 890 CA VAL A 57 -1.018 -0.763 -5.066 1.00 0.00 C ATOM 891 C VAL A 57 -0.996 0.568 -5.805 1.00 0.00 C ATOM 892 O VAL A 57 -0.671 0.662 -6.974 1.00 0.00 O ATOM 893 CB VAL A 57 0.322 -0.959 -4.361 1.00 0.00 C ATOM 894 CG1 VAL A 57 1.449 -0.530 -5.275 1.00 0.00 C ATOM 895 CG2 VAL A 57 0.355 -0.081 -3.116 1.00 0.00 C ATOM 0 H VAL A 57 -0.502 -2.292 -6.475 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.827 -0.735 -4.337 1.00 0.00 H new ATOM 0 HB VAL A 57 0.440 -2.010 -4.096 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.403 -0.672 -4.767 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.429 -1.131 -6.184 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.328 0.522 -5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.308 -0.212 -2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.239 0.964 -3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.458 -0.366 -2.448 1.00 0.00 H new ATOM 905 N ARG A 58 -1.322 1.599 -5.086 1.00 0.00 N ATOM 906 CA ARG A 58 -1.322 2.965 -5.655 1.00 0.00 C ATOM 907 C ARG A 58 -0.004 3.650 -5.301 1.00 0.00 C ATOM 908 O ARG A 58 0.424 3.631 -4.164 1.00 0.00 O ATOM 909 CB ARG A 58 -2.523 3.724 -5.042 1.00 0.00 C ATOM 910 CG ARG A 58 -2.126 5.065 -4.382 1.00 0.00 C ATOM 911 CD ARG A 58 -2.856 5.215 -3.047 1.00 0.00 C ATOM 912 NE ARG A 58 -4.259 4.766 -3.210 1.00 0.00 N ATOM 913 CZ ARG A 58 -5.222 5.370 -2.570 1.00 0.00 C ATOM 914 NH1 ARG A 58 -5.065 5.696 -1.316 1.00 0.00 N ATOM 915 NH2 ARG A 58 -6.340 5.651 -3.183 1.00 0.00 N ATOM 0 H ARG A 58 -1.595 1.549 -4.104 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.415 2.948 -6.741 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.260 3.915 -5.822 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.004 3.089 -4.298 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.048 5.099 -4.224 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.378 5.895 -5.041 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.359 4.624 -2.278 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.829 6.254 -2.718 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.473 3.981 -3.825 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.191 5.478 -0.838 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.817 6.168 -0.814 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.461 5.398 -4.164 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.092 6.123 -2.681 1.00 0.00 H new ATOM 929 N ALA A 59 0.620 4.299 -6.237 1.00 0.00 N ATOM 930 CA ALA A 59 1.865 5.015 -5.897 1.00 0.00 C ATOM 931 C ALA A 59 1.731 6.445 -6.398 1.00 0.00 C ATOM 932 O ALA A 59 2.698 7.117 -6.647 1.00 0.00 O ATOM 933 CB ALA A 59 3.067 4.334 -6.548 1.00 0.00 C ATOM 0 H ALA A 59 0.324 4.363 -7.211 1.00 0.00 H new ATOM 0 HA ALA A 59 2.023 5.005 -4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.977 4.875 -6.287 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.140 3.307 -6.191 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.943 4.334 -7.631 1.00 0.00 H new ATOM 939 N GLY A 60 0.525 6.926 -6.530 1.00 0.00 N ATOM 940 CA GLY A 60 0.349 8.328 -7.001 1.00 0.00 C ATOM 941 C GLY A 60 -0.296 8.324 -8.388 1.00 0.00 C ATOM 942 O GLY A 60 -1.045 7.432 -8.732 1.00 0.00 O ATOM 0 H GLY A 60 -0.336 6.416 -6.335 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.275 8.883 -6.300 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.314 8.834 -7.039 1.00 0.00 H new ATOM 946 N ASP A 61 -0.013 9.316 -9.189 1.00 0.00 N ATOM 947 CA ASP A 61 -0.612 9.369 -10.551 1.00 0.00 C ATOM 948 C ASP A 61 0.409 8.891 -11.590 1.00 0.00 C ATOM 949 O ASP A 61 0.054 8.506 -12.687 1.00 0.00 O ATOM 950 CB ASP A 61 -1.026 10.808 -10.867 1.00 0.00 C ATOM 951 CG ASP A 61 -2.305 10.797 -11.702 1.00 0.00 C ATOM 952 OD1 ASP A 61 -2.466 9.879 -12.491 1.00 0.00 O ATOM 953 OD2 ASP A 61 -3.105 11.704 -11.542 1.00 0.00 O ATOM 0 H ASP A 61 0.608 10.092 -8.958 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.486 8.719 -10.585 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.187 11.363 -9.943 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.229 11.316 -11.409 1.00 0.00 H new ATOM 958 N ASN A 62 1.673 8.920 -11.260 1.00 0.00 N ATOM 959 CA ASN A 62 2.707 8.477 -12.233 1.00 0.00 C ATOM 960 C ASN A 62 3.337 7.162 -11.765 1.00 0.00 C ATOM 961 O ASN A 62 3.842 6.391 -12.556 1.00 0.00 O ATOM 962 CB ASN A 62 3.801 9.547 -12.365 1.00 0.00 C ATOM 963 CG ASN A 62 3.813 10.445 -11.123 1.00 0.00 C ATOM 964 OD1 ASN A 62 4.051 9.919 -9.953 1.00 0.00 O flip ATOM 965 ND2 ASN A 62 3.605 11.637 -11.223 1.00 0.00 N flip ATOM 0 H ASN A 62 2.032 9.232 -10.358 1.00 0.00 H new ATOM 0 HA ASN A 62 2.232 8.326 -13.202 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.774 9.070 -12.488 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.626 10.149 -13.257 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.419 12.047 -12.138 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.616 12.228 -10.392 1.00 0.00 H new ATOM 972 N LYS A 63 3.313 6.898 -10.487 1.00 0.00 N ATOM 973 CA LYS A 63 3.913 5.632 -9.979 1.00 0.00 C ATOM 974 C LYS A 63 2.801 4.607 -9.728 1.00 0.00 C ATOM 975 O LYS A 63 1.690 4.949 -9.358 1.00 0.00 O ATOM 976 CB LYS A 63 4.651 5.908 -8.675 1.00 0.00 C ATOM 977 CG LYS A 63 5.834 6.838 -8.927 1.00 0.00 C ATOM 978 CD LYS A 63 5.993 7.761 -7.722 1.00 0.00 C ATOM 979 CE LYS A 63 7.474 8.081 -7.509 1.00 0.00 C ATOM 980 NZ LYS A 63 7.978 8.900 -8.648 1.00 0.00 N ATOM 0 H LYS A 63 2.905 7.503 -9.774 1.00 0.00 H new ATOM 0 HA LYS A 63 4.612 5.239 -10.717 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.971 6.360 -7.952 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.001 4.971 -8.241 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.744 6.259 -9.083 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.670 7.423 -9.832 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.431 8.682 -7.880 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.582 7.286 -6.831 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.608 8.621 -6.572 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.048 7.158 -7.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.942 9.230 -8.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.990 8.322 -9.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.354 9.720 -8.789 1.00 0.00 H new ATOM 994 N TYR A 64 3.092 3.352 -9.923 1.00 0.00 N ATOM 995 CA TYR A 64 2.063 2.299 -9.711 1.00 0.00 C ATOM 996 C TYR A 64 2.779 0.965 -9.534 1.00 0.00 C ATOM 997 O TYR A 64 3.642 0.611 -10.310 1.00 0.00 O ATOM 998 CB TYR A 64 1.167 2.223 -10.952 1.00 0.00 C ATOM 999 CG TYR A 64 -0.291 2.406 -10.585 1.00 0.00 C ATOM 1000 CD1 TYR A 64 -0.662 3.225 -9.509 1.00 0.00 C ATOM 1001 CD2 TYR A 64 -1.277 1.758 -11.340 1.00 0.00 C ATOM 1002 CE1 TYR A 64 -2.016 3.395 -9.193 1.00 0.00 C ATOM 1003 CE2 TYR A 64 -2.629 1.927 -11.023 1.00 0.00 C ATOM 1004 CZ TYR A 64 -2.998 2.744 -9.951 1.00 0.00 C ATOM 1005 OH TYR A 64 -4.331 2.914 -9.641 1.00 0.00 O ATOM 0 H TYR A 64 4.005 3.009 -10.222 1.00 0.00 H new ATOM 0 HA TYR A 64 1.458 2.527 -8.834 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.464 2.991 -11.666 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.303 1.260 -11.444 1.00 0.00 H new ATOM 0 HD1 TYR A 64 0.096 3.725 -8.924 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -0.993 1.126 -12.169 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.303 4.027 -8.366 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.387 1.426 -11.607 1.00 0.00 H new ATOM 0 HH TYR A 64 -4.881 2.395 -10.264 1.00 0.00 H new ATOM 1015 N LEU A 65 2.426 0.214 -8.535 1.00 0.00 N ATOM 1016 CA LEU A 65 3.098 -1.096 -8.342 1.00 0.00 C ATOM 1017 C LEU A 65 2.038 -2.177 -8.271 1.00 0.00 C ATOM 1018 O LEU A 65 0.883 -1.939 -8.572 1.00 0.00 O ATOM 1019 CB LEU A 65 3.939 -1.101 -7.067 1.00 0.00 C ATOM 1020 CG LEU A 65 4.672 0.247 -6.927 1.00 0.00 C ATOM 1021 CD1 LEU A 65 3.696 1.340 -6.495 1.00 0.00 C ATOM 1022 CD2 LEU A 65 5.783 0.147 -5.875 1.00 0.00 C ATOM 0 H LEU A 65 1.708 0.446 -7.849 1.00 0.00 H new ATOM 0 HA LEU A 65 3.769 -1.281 -9.181 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.302 -1.272 -6.199 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.661 -1.917 -7.098 1.00 0.00 H new ATOM 0 HG LEU A 65 5.103 0.495 -7.897 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.228 2.286 -6.400 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.908 1.440 -7.241 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.254 1.074 -5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.290 1.108 -5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.349 -0.122 -4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.501 -0.617 -6.175 1.00 0.00 H new ATOM 1034 N HIS A 66 2.395 -3.373 -7.914 1.00 0.00 N ATOM 1035 CA HIS A 66 1.356 -4.414 -7.897 1.00 0.00 C ATOM 1036 C HIS A 66 1.846 -5.695 -7.216 1.00 0.00 C ATOM 1037 O HIS A 66 3.024 -5.990 -7.165 1.00 0.00 O ATOM 1038 CB HIS A 66 1.000 -4.696 -9.346 1.00 0.00 C ATOM 1039 CG HIS A 66 -0.386 -5.239 -9.426 1.00 0.00 C ATOM 1040 ND1 HIS A 66 -1.378 -4.607 -10.144 1.00 0.00 N ATOM 1041 CD2 HIS A 66 -0.963 -6.345 -8.874 1.00 0.00 C ATOM 1042 CE1 HIS A 66 -2.495 -5.332 -10.006 1.00 0.00 C ATOM 1043 NE2 HIS A 66 -2.300 -6.408 -9.239 1.00 0.00 N ATOM 0 H HIS A 66 3.334 -3.664 -7.642 1.00 0.00 H new ATOM 0 HA HIS A 66 0.492 -4.071 -7.328 1.00 0.00 H new ATOM 0 HB2 HIS A 66 1.077 -3.782 -9.934 1.00 0.00 H new ATOM 0 HB3 HIS A 66 1.706 -5.409 -9.772 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -0.455 -7.063 -8.247 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.441 -5.077 -10.461 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -2.983 -7.119 -8.979 1.00 0.00 H new ATOM 1051 N LEU A 67 0.922 -6.447 -6.692 1.00 0.00 N ATOM 1052 CA LEU A 67 1.248 -7.719 -5.992 1.00 0.00 C ATOM 1053 C LEU A 67 0.059 -8.654 -6.108 1.00 0.00 C ATOM 1054 O LEU A 67 -1.040 -8.251 -6.418 1.00 0.00 O ATOM 1055 CB LEU A 67 1.441 -7.424 -4.511 1.00 0.00 C ATOM 1056 CG LEU A 67 1.475 -8.731 -3.704 1.00 0.00 C ATOM 1057 CD1 LEU A 67 2.733 -9.528 -4.031 1.00 0.00 C ATOM 1058 CD2 LEU A 67 1.484 -8.380 -2.220 1.00 0.00 C ATOM 0 H LEU A 67 -0.074 -6.227 -6.721 1.00 0.00 H new ATOM 0 HA LEU A 67 2.144 -8.161 -6.428 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.369 -6.873 -4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.632 -6.788 -4.152 1.00 0.00 H new ATOM 0 HG LEU A 67 0.602 -9.333 -3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.740 -10.450 -3.450 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.745 -9.768 -5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.614 -8.936 -3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.508 -9.296 -1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.365 -7.779 -1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.586 -7.814 -1.975 1.00 0.00 H new ATOM 1070 N LYS A 68 0.273 -9.887 -5.809 1.00 0.00 N ATOM 1071 CA LYS A 68 -0.798 -10.870 -5.814 1.00 0.00 C ATOM 1072 C LYS A 68 -0.556 -11.733 -4.620 1.00 0.00 C ATOM 1073 O LYS A 68 0.288 -12.612 -4.676 1.00 0.00 O ATOM 1074 CB LYS A 68 -0.644 -11.741 -7.012 1.00 0.00 C ATOM 1075 CG LYS A 68 -1.909 -12.553 -7.247 1.00 0.00 C ATOM 1076 CD LYS A 68 -1.830 -13.833 -6.409 1.00 0.00 C ATOM 1077 CE LYS A 68 -1.287 -15.006 -7.238 1.00 0.00 C ATOM 1078 NZ LYS A 68 -1.741 -14.888 -8.653 1.00 0.00 N ATOM 0 H LYS A 68 1.187 -10.260 -5.552 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.778 -10.394 -5.813 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.429 -11.129 -7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.205 -12.411 -6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.789 -11.972 -6.969 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.010 -12.798 -8.304 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.187 -13.666 -5.545 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.820 -14.082 -6.026 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.198 -15.017 -7.197 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.631 -15.950 -6.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.592 -15.794 -9.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.752 -14.645 -8.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.196 -14.142 -9.131 1.00 0.00 H new ATOM 1092 N VAL A 69 -1.232 -11.519 -3.543 1.00 0.00 N ATOM 1093 CA VAL A 69 -0.949 -12.385 -2.395 1.00 0.00 C ATOM 1094 C VAL A 69 -1.744 -13.677 -2.565 1.00 0.00 C ATOM 1095 O VAL A 69 -2.912 -13.655 -2.895 1.00 0.00 O ATOM 1096 CB VAL A 69 -1.327 -11.686 -1.089 1.00 0.00 C ATOM 1097 CG1 VAL A 69 -0.793 -12.490 0.097 1.00 0.00 C ATOM 1098 CG2 VAL A 69 -0.717 -10.282 -1.071 1.00 0.00 C ATOM 0 H VAL A 69 -1.947 -10.804 -3.410 1.00 0.00 H new ATOM 0 HA VAL A 69 0.117 -12.609 -2.350 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.412 -11.614 -1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.064 -11.990 1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.226 -13.490 0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.292 -12.564 0.027 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.985 -9.781 -0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.368 -10.356 -1.144 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.099 -9.708 -1.915 1.00 0.00 H new ATOM 1108 N PHE A 70 -1.128 -14.809 -2.391 1.00 0.00 N ATOM 1109 CA PHE A 70 -1.884 -16.071 -2.597 1.00 0.00 C ATOM 1110 C PHE A 70 -1.535 -17.099 -1.522 1.00 0.00 C ATOM 1111 O PHE A 70 -0.396 -17.473 -1.354 1.00 0.00 O ATOM 1112 CB PHE A 70 -1.519 -16.618 -3.971 1.00 0.00 C ATOM 1113 CG PHE A 70 -2.131 -17.984 -4.151 1.00 0.00 C ATOM 1114 CD1 PHE A 70 -3.383 -18.266 -3.593 1.00 0.00 C ATOM 1115 CD2 PHE A 70 -1.450 -18.964 -4.880 1.00 0.00 C ATOM 1116 CE1 PHE A 70 -3.955 -19.534 -3.766 1.00 0.00 C ATOM 1117 CE2 PHE A 70 -2.021 -20.229 -5.052 1.00 0.00 C ATOM 1118 CZ PHE A 70 -3.273 -20.514 -4.496 1.00 0.00 C ATOM 0 H PHE A 70 -0.151 -14.916 -2.120 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.954 -15.871 -2.532 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.876 -15.943 -4.749 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.435 -16.678 -4.074 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.908 -17.508 -3.030 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.484 -18.744 -5.310 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.921 -19.754 -3.336 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.495 -20.986 -5.614 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.713 -21.491 -4.630 1.00 0.00 H new ATOM 1128 N LYS A 71 -2.517 -17.579 -0.808 1.00 0.00 N ATOM 1129 CA LYS A 71 -2.245 -18.603 0.237 1.00 0.00 C ATOM 1130 C LYS A 71 -2.450 -19.987 -0.380 1.00 0.00 C ATOM 1131 O LYS A 71 -3.430 -20.656 -0.121 1.00 0.00 O ATOM 1132 CB LYS A 71 -3.209 -18.417 1.410 1.00 0.00 C ATOM 1133 CG LYS A 71 -2.414 -18.105 2.680 1.00 0.00 C ATOM 1134 CD LYS A 71 -2.864 -19.040 3.804 1.00 0.00 C ATOM 1135 CE LYS A 71 -3.893 -18.323 4.680 1.00 0.00 C ATOM 1136 NZ LYS A 71 -3.195 -17.374 5.592 1.00 0.00 N ATOM 0 H LYS A 71 -3.495 -17.306 -0.904 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.223 -18.500 0.603 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.906 -17.607 1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.803 -19.320 1.553 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.347 -18.229 2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.568 -17.066 2.973 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.297 -19.948 3.385 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.007 -19.343 4.405 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.606 -17.785 4.055 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.462 -19.050 5.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.844 -17.079 6.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.365 -17.841 6.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.887 -16.539 5.054 1.00 0.00 H new ATOM 1150 N SER A 72 -1.542 -20.405 -1.214 1.00 0.00 N ATOM 1151 CA SER A 72 -1.689 -21.734 -1.873 1.00 0.00 C ATOM 1152 C SER A 72 -2.100 -22.794 -0.853 1.00 0.00 C ATOM 1153 O SER A 72 -1.338 -23.178 0.012 1.00 0.00 O ATOM 1154 CB SER A 72 -0.363 -22.142 -2.523 1.00 0.00 C ATOM 1155 OG SER A 72 0.585 -21.095 -2.370 1.00 0.00 O ATOM 0 H SER A 72 -0.703 -19.885 -1.469 1.00 0.00 H new ATOM 0 HA SER A 72 -2.463 -21.657 -2.637 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.013 -23.056 -2.064 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.516 -22.356 -3.581 1.00 0.00 H new ATOM 0 HG SER A 72 1.489 -21.451 -2.500 1.00 0.00 H new ATOM 1161 N LEU A 73 -3.302 -23.279 -0.971 1.00 0.00 N ATOM 1162 CA LEU A 73 -3.795 -24.333 -0.046 1.00 0.00 C ATOM 1163 C LEU A 73 -4.845 -25.165 -0.792 1.00 0.00 C ATOM 1164 O LEU A 73 -5.989 -25.224 -0.396 1.00 0.00 O ATOM 1165 CB LEU A 73 -4.404 -23.674 1.196 1.00 0.00 C ATOM 1166 CG LEU A 73 -5.223 -24.697 1.979 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -4.800 -24.680 3.449 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -6.703 -24.335 1.870 1.00 0.00 C ATOM 0 H LEU A 73 -3.974 -22.985 -1.680 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.980 -24.981 0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.614 -23.268 1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.037 -22.837 0.901 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.054 -25.693 1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.387 -25.411 4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.742 -24.930 3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.970 -23.687 3.865 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.297 -25.060 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.865 -23.340 2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.004 -24.347 0.823 1.00 0.00 H new ATOM 1180 N PRO A 74 -4.421 -25.767 -1.881 1.00 0.00 N ATOM 1181 CA PRO A 74 -5.303 -26.586 -2.730 1.00 0.00 C ATOM 1182 C PRO A 74 -5.456 -27.995 -2.148 1.00 0.00 C ATOM 1183 O PRO A 74 -5.318 -28.983 -2.845 1.00 0.00 O ATOM 1184 CB PRO A 74 -4.559 -26.636 -4.068 1.00 0.00 C ATOM 1185 CG PRO A 74 -3.068 -26.372 -3.747 1.00 0.00 C ATOM 1186 CD PRO A 74 -3.027 -25.680 -2.372 1.00 0.00 C ATOM 0 HA PRO A 74 -6.311 -26.180 -2.815 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.687 -27.606 -4.548 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.947 -25.886 -4.757 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.505 -27.305 -3.727 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.613 -25.742 -4.511 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.334 -26.180 -1.695 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.698 -24.644 -2.457 1.00 0.00 H new ATOM 1194 N GLY A 75 -5.737 -28.101 -0.879 1.00 0.00 N ATOM 1195 CA GLY A 75 -5.898 -29.448 -0.261 1.00 0.00 C ATOM 1196 C GLY A 75 -4.536 -29.970 0.205 1.00 0.00 C ATOM 1197 O GLY A 75 -4.449 -30.850 1.038 1.00 0.00 O ATOM 0 H GLY A 75 -5.862 -27.314 -0.243 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.585 -29.391 0.584 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.336 -30.139 -0.981 1.00 0.00 H new ATOM 1201 N GLN A 76 -3.468 -29.435 -0.326 1.00 0.00 N ATOM 1202 CA GLN A 76 -2.116 -29.907 0.090 1.00 0.00 C ATOM 1203 C GLN A 76 -1.568 -28.988 1.182 1.00 0.00 C ATOM 1204 O GLN A 76 -0.783 -29.399 2.014 1.00 0.00 O ATOM 1205 CB GLN A 76 -1.175 -29.882 -1.116 1.00 0.00 C ATOM 1206 CG GLN A 76 -0.051 -30.897 -0.904 1.00 0.00 C ATOM 1207 CD GLN A 76 0.983 -30.753 -2.023 1.00 0.00 C ATOM 1208 OE1 GLN A 76 2.152 -30.555 -1.763 1.00 0.00 O ATOM 1209 NE2 GLN A 76 0.596 -30.846 -3.265 1.00 0.00 N ATOM 0 H GLN A 76 -3.474 -28.694 -1.027 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.189 -30.924 0.474 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.726 -30.118 -2.026 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.758 -28.883 -1.246 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.421 -30.736 0.065 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.457 -31.909 -0.897 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -0.387 -31.012 -3.482 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.276 -30.752 -4.019 1.00 0.00 H new ATOM 1218 N ASN A 77 -1.970 -27.749 1.185 1.00 0.00 N ATOM 1219 CA ASN A 77 -1.470 -26.804 2.222 1.00 0.00 C ATOM 1220 C ASN A 77 0.054 -26.918 2.321 1.00 0.00 C ATOM 1221 O ASN A 77 0.579 -27.686 3.102 1.00 0.00 O ATOM 1222 CB ASN A 77 -2.098 -27.155 3.573 1.00 0.00 C ATOM 1223 CG ASN A 77 -1.390 -26.376 4.683 1.00 0.00 C ATOM 1224 OD1 ASN A 77 -1.033 -26.935 5.701 1.00 0.00 O ATOM 1225 ND2 ASN A 77 -1.171 -25.100 4.528 1.00 0.00 N ATOM 0 H ASN A 77 -2.625 -27.349 0.513 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.741 -25.784 1.949 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.161 -26.913 3.566 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -2.016 -28.226 3.757 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.700 -24.571 5.262 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -1.471 -24.631 3.673 1.00 0.00 H new ATOM 1232 N GLU A 78 0.765 -26.161 1.533 1.00 0.00 N ATOM 1233 CA GLU A 78 2.253 -26.228 1.580 1.00 0.00 C ATOM 1234 C GLU A 78 2.837 -24.844 1.285 1.00 0.00 C ATOM 1235 O GLU A 78 3.186 -24.535 0.163 1.00 0.00 O ATOM 1236 CB GLU A 78 2.752 -27.225 0.531 1.00 0.00 C ATOM 1237 CG GLU A 78 2.775 -28.632 1.131 1.00 0.00 C ATOM 1238 CD GLU A 78 4.220 -29.038 1.423 1.00 0.00 C ATOM 1239 OE1 GLU A 78 4.932 -28.239 2.010 1.00 0.00 O ATOM 1240 OE2 GLU A 78 4.591 -30.140 1.053 1.00 0.00 O ATOM 0 H GLU A 78 0.381 -25.499 0.859 1.00 0.00 H new ATOM 0 HA GLU A 78 2.570 -26.552 2.571 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.103 -27.203 -0.344 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.751 -26.946 0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.186 -28.658 2.048 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.319 -29.341 0.440 1.00 0.00 H new ATOM 1247 N ASP A 79 2.950 -24.012 2.283 1.00 0.00 N ATOM 1248 CA ASP A 79 3.513 -22.649 2.058 1.00 0.00 C ATOM 1249 C ASP A 79 2.565 -21.846 1.163 1.00 0.00 C ATOM 1250 O ASP A 79 1.672 -22.393 0.545 1.00 0.00 O ATOM 1251 CB ASP A 79 4.880 -22.767 1.382 1.00 0.00 C ATOM 1252 CG ASP A 79 5.875 -21.835 2.077 1.00 0.00 C ATOM 1253 OD1 ASP A 79 5.598 -21.431 3.194 1.00 0.00 O ATOM 1254 OD2 ASP A 79 6.898 -21.542 1.479 1.00 0.00 O ATOM 0 H ASP A 79 2.677 -24.216 3.244 1.00 0.00 H new ATOM 0 HA ASP A 79 3.625 -22.139 3.015 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.234 -23.797 1.431 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.799 -22.508 0.326 1.00 0.00 H new ATOM 1259 N LEU A 80 2.747 -20.556 1.088 1.00 0.00 N ATOM 1260 CA LEU A 80 1.850 -19.730 0.233 1.00 0.00 C ATOM 1261 C LEU A 80 2.502 -19.465 -1.114 1.00 0.00 C ATOM 1262 O LEU A 80 3.208 -20.295 -1.654 1.00 0.00 O ATOM 1263 CB LEU A 80 1.526 -18.412 0.935 1.00 0.00 C ATOM 1264 CG LEU A 80 2.759 -17.519 0.964 1.00 0.00 C ATOM 1265 CD1 LEU A 80 2.327 -16.059 0.824 1.00 0.00 C ATOM 1266 CD2 LEU A 80 3.478 -17.725 2.292 1.00 0.00 C ATOM 0 H LEU A 80 3.476 -20.040 1.581 1.00 0.00 H new ATOM 0 HA LEU A 80 0.922 -20.276 0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.712 -17.905 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.184 -18.607 1.952 1.00 0.00 H new ATOM 0 HG LEU A 80 3.429 -17.771 0.142 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.207 -15.416 0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.801 -15.924 -0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.665 -15.795 1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.364 -17.092 2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.810 -17.461 3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.775 -18.770 2.387 1.00 0.00 H new ATOM 1278 N VAL A 81 2.231 -18.332 -1.679 1.00 0.00 N ATOM 1279 CA VAL A 81 2.785 -18.018 -3.014 1.00 0.00 C ATOM 1280 C VAL A 81 2.366 -16.600 -3.402 1.00 0.00 C ATOM 1281 O VAL A 81 1.333 -16.115 -2.986 1.00 0.00 O ATOM 1282 CB VAL A 81 2.213 -19.058 -3.988 1.00 0.00 C ATOM 1283 CG1 VAL A 81 1.847 -18.420 -5.335 1.00 0.00 C ATOM 1284 CG2 VAL A 81 3.249 -20.160 -4.220 1.00 0.00 C ATOM 0 H VAL A 81 1.645 -17.604 -1.271 1.00 0.00 H new ATOM 0 HA VAL A 81 3.874 -18.058 -3.029 1.00 0.00 H new ATOM 0 HB VAL A 81 1.307 -19.474 -3.547 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.445 -19.183 -6.002 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.098 -17.644 -5.178 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.738 -17.980 -5.783 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.845 -20.900 -4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.155 -19.725 -4.643 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.486 -20.642 -3.271 1.00 0.00 H new ATOM 1294 N LEU A 82 3.147 -15.934 -4.203 1.00 0.00 N ATOM 1295 CA LEU A 82 2.776 -14.566 -4.613 1.00 0.00 C ATOM 1296 C LEU A 82 3.103 -14.372 -6.074 1.00 0.00 C ATOM 1297 O LEU A 82 4.057 -13.711 -6.432 1.00 0.00 O ATOM 1298 CB LEU A 82 3.537 -13.535 -3.794 1.00 0.00 C ATOM 1299 CG LEU A 82 2.607 -12.994 -2.727 1.00 0.00 C ATOM 1300 CD1 LEU A 82 2.510 -13.996 -1.573 1.00 0.00 C ATOM 1301 CD2 LEU A 82 3.141 -11.659 -2.207 1.00 0.00 C ATOM 0 H LEU A 82 4.025 -16.283 -4.588 1.00 0.00 H new ATOM 0 HA LEU A 82 1.707 -14.433 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.417 -13.988 -3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.891 -12.727 -4.435 1.00 0.00 H new ATOM 0 HG LEU A 82 1.617 -12.842 -3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.841 -13.605 -0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.121 -14.943 -1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.500 -14.154 -1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.470 -11.273 -1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.133 -11.805 -1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.201 -10.946 -3.029 1.00 0.00 H new ATOM 1313 N THR A 83 2.297 -14.913 -6.927 1.00 0.00 N ATOM 1314 CA THR A 83 2.536 -14.730 -8.371 1.00 0.00 C ATOM 1315 C THR A 83 2.527 -13.230 -8.680 1.00 0.00 C ATOM 1316 O THR A 83 2.868 -12.817 -9.769 1.00 0.00 O ATOM 1317 CB THR A 83 1.437 -15.425 -9.162 1.00 0.00 C ATOM 1318 OG1 THR A 83 0.885 -16.476 -8.382 1.00 0.00 O ATOM 1319 CG2 THR A 83 2.018 -15.995 -10.457 1.00 0.00 C ATOM 0 H THR A 83 1.481 -15.475 -6.686 1.00 0.00 H new ATOM 0 HA THR A 83 3.498 -15.161 -8.649 1.00 0.00 H new ATOM 0 HB THR A 83 0.655 -14.706 -9.406 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.176 -16.923 -8.890 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.229 -16.492 -11.022 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.437 -15.186 -11.055 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.802 -16.714 -10.219 1.00 0.00 H new ATOM 1327 N GLY A 84 2.143 -12.398 -7.731 1.00 0.00 N ATOM 1328 CA GLY A 84 2.133 -10.939 -8.012 1.00 0.00 C ATOM 1329 C GLY A 84 3.258 -10.268 -7.241 1.00 0.00 C ATOM 1330 O GLY A 84 3.604 -10.671 -6.151 1.00 0.00 O ATOM 0 H GLY A 84 1.843 -12.670 -6.795 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.254 -10.763 -9.081 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.174 -10.509 -7.725 1.00 0.00 H new ATOM 1334 N TYR A 85 3.824 -9.243 -7.802 1.00 0.00 N ATOM 1335 CA TYR A 85 4.926 -8.523 -7.116 1.00 0.00 C ATOM 1336 C TYR A 85 5.541 -7.533 -8.101 1.00 0.00 C ATOM 1337 O TYR A 85 6.029 -7.913 -9.144 1.00 0.00 O ATOM 1338 CB TYR A 85 5.994 -9.519 -6.661 1.00 0.00 C ATOM 1339 CG TYR A 85 6.383 -10.409 -7.819 1.00 0.00 C ATOM 1340 CD1 TYR A 85 7.417 -10.024 -8.682 1.00 0.00 C ATOM 1341 CD2 TYR A 85 5.709 -11.618 -8.031 1.00 0.00 C ATOM 1342 CE1 TYR A 85 7.777 -10.849 -9.756 1.00 0.00 C ATOM 1343 CE2 TYR A 85 6.068 -12.442 -9.105 1.00 0.00 C ATOM 1344 CZ TYR A 85 7.102 -12.056 -9.967 1.00 0.00 C ATOM 1345 OH TYR A 85 7.455 -12.869 -11.025 1.00 0.00 O ATOM 0 H TYR A 85 3.568 -8.869 -8.716 1.00 0.00 H new ATOM 0 HA TYR A 85 4.539 -7.998 -6.243 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.869 -8.985 -6.290 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.615 -10.123 -5.836 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.937 -9.091 -8.520 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.912 -11.915 -7.366 1.00 0.00 H new ATOM 0 HE1 TYR A 85 8.575 -10.553 -10.421 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.548 -13.374 -9.268 1.00 0.00 H new ATOM 0 HH TYR A 85 6.888 -13.668 -11.027 1.00 0.00 H new ATOM 1355 N GLN A 86 5.516 -6.267 -7.794 1.00 0.00 N ATOM 1356 CA GLN A 86 6.102 -5.283 -8.755 1.00 0.00 C ATOM 1357 C GLN A 86 6.370 -3.941 -8.071 1.00 0.00 C ATOM 1358 O GLN A 86 5.797 -3.627 -7.046 1.00 0.00 O ATOM 1359 CB GLN A 86 5.132 -5.075 -9.919 1.00 0.00 C ATOM 1360 CG GLN A 86 5.758 -5.621 -11.204 1.00 0.00 C ATOM 1361 CD GLN A 86 6.775 -4.613 -11.742 1.00 0.00 C ATOM 1362 OE1 GLN A 86 8.008 -4.659 -11.316 1.00 0.00 O flip ATOM 1363 NE2 GLN A 86 6.444 -3.774 -12.556 1.00 0.00 N flip ATOM 0 H GLN A 86 5.125 -5.873 -6.938 1.00 0.00 H new ATOM 0 HA GLN A 86 7.050 -5.678 -9.121 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.189 -5.583 -9.716 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.905 -4.015 -10.033 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.245 -6.576 -11.007 1.00 0.00 H new ATOM 0 HG3 GLN A 86 4.984 -5.806 -11.949 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.480 -3.738 -12.889 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.130 -3.105 -12.907 1.00 0.00 H new ATOM 1372 N VAL A 87 7.239 -3.147 -8.650 1.00 0.00 N ATOM 1373 CA VAL A 87 7.564 -1.816 -8.062 1.00 0.00 C ATOM 1374 C VAL A 87 6.788 -0.726 -8.815 1.00 0.00 C ATOM 1375 O VAL A 87 5.807 -1.002 -9.477 1.00 0.00 O ATOM 1376 CB VAL A 87 9.074 -1.569 -8.173 1.00 0.00 C ATOM 1377 CG1 VAL A 87 9.436 -1.116 -9.592 1.00 0.00 C ATOM 1378 CG2 VAL A 87 9.492 -0.494 -7.169 1.00 0.00 C ATOM 0 H VAL A 87 7.739 -3.369 -9.511 1.00 0.00 H new ATOM 0 HA VAL A 87 7.277 -1.792 -7.011 1.00 0.00 H new ATOM 0 HB VAL A 87 9.601 -2.498 -7.955 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.510 -0.944 -9.656 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.149 -1.889 -10.305 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.907 -0.192 -9.825 1.00 0.00 H new ATOM 0 HG21 VAL A 87 10.565 -0.319 -7.249 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.957 0.431 -7.383 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.253 -0.827 -6.159 1.00 0.00 H new ATOM 1388 N ASP A 88 7.201 0.512 -8.710 1.00 0.00 N ATOM 1389 CA ASP A 88 6.468 1.596 -9.407 1.00 0.00 C ATOM 1390 C ASP A 88 7.326 2.211 -10.518 1.00 0.00 C ATOM 1391 O ASP A 88 8.084 1.528 -11.173 1.00 0.00 O ATOM 1392 CB ASP A 88 6.082 2.681 -8.397 1.00 0.00 C ATOM 1393 CG ASP A 88 7.307 3.532 -8.055 1.00 0.00 C ATOM 1394 OD1 ASP A 88 8.410 3.075 -8.302 1.00 0.00 O ATOM 1395 OD2 ASP A 88 7.121 4.628 -7.551 1.00 0.00 O ATOM 0 H ASP A 88 8.013 0.812 -8.171 1.00 0.00 H new ATOM 0 HA ASP A 88 5.571 1.173 -9.859 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.294 3.311 -8.810 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.682 2.223 -7.492 1.00 0.00 H new ATOM 1400 N LYS A 89 7.188 3.501 -10.735 1.00 0.00 N ATOM 1401 CA LYS A 89 7.967 4.199 -11.801 1.00 0.00 C ATOM 1402 C LYS A 89 7.212 4.097 -13.128 1.00 0.00 C ATOM 1403 O LYS A 89 7.740 3.655 -14.128 1.00 0.00 O ATOM 1404 CB LYS A 89 9.363 3.583 -11.938 1.00 0.00 C ATOM 1405 CG LYS A 89 10.407 4.699 -12.010 1.00 0.00 C ATOM 1406 CD LYS A 89 10.697 5.217 -10.599 1.00 0.00 C ATOM 1407 CE LYS A 89 11.804 6.272 -10.655 1.00 0.00 C ATOM 1408 NZ LYS A 89 11.223 7.617 -10.375 1.00 0.00 N ATOM 0 H LYS A 89 6.557 4.105 -10.208 1.00 0.00 H new ATOM 0 HA LYS A 89 8.083 5.248 -11.529 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.570 2.931 -11.089 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.413 2.965 -12.834 1.00 0.00 H new ATOM 0 HG2 LYS A 89 11.323 4.326 -12.468 1.00 0.00 H new ATOM 0 HG3 LYS A 89 10.044 5.511 -12.640 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.794 5.646 -10.166 1.00 0.00 H new ATOM 0 HD3 LYS A 89 10.999 4.392 -9.953 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.580 6.040 -9.925 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.278 6.266 -11.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 11.986 8.322 -10.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.560 7.874 -11.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.717 7.594 -9.466 1.00 0.00 H new ATOM 1422 N ASN A 90 5.974 4.515 -13.133 1.00 0.00 N ATOM 1423 CA ASN A 90 5.152 4.465 -14.375 1.00 0.00 C ATOM 1424 C ASN A 90 5.433 3.181 -15.151 1.00 0.00 C ATOM 1425 O ASN A 90 5.350 3.144 -16.363 1.00 0.00 O ATOM 1426 CB ASN A 90 5.466 5.676 -15.253 1.00 0.00 C ATOM 1427 CG ASN A 90 6.866 5.520 -15.843 1.00 0.00 C ATOM 1428 OD1 ASN A 90 7.902 5.836 -15.118 1.00 0.00 O flip ATOM 1429 ND2 ASN A 90 7.020 5.109 -16.976 1.00 0.00 N flip ATOM 0 H ASN A 90 5.492 4.894 -12.318 1.00 0.00 H new ATOM 0 HA ASN A 90 4.099 4.482 -14.096 1.00 0.00 H new ATOM 0 HB2 ASN A 90 4.729 5.762 -16.052 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.406 6.592 -14.665 1.00 0.00 H new ATOM 0 HD21 ASN A 90 6.209 4.862 -17.543 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.960 5.011 -17.360 1.00 0.00 H new ATOM 1436 N LYS A 91 5.741 2.125 -14.460 1.00 0.00 N ATOM 1437 CA LYS A 91 6.003 0.833 -15.157 1.00 0.00 C ATOM 1438 C LYS A 91 4.766 -0.045 -15.029 1.00 0.00 C ATOM 1439 O LYS A 91 4.235 -0.539 -16.005 1.00 0.00 O ATOM 1440 CB LYS A 91 7.192 0.111 -14.518 1.00 0.00 C ATOM 1441 CG LYS A 91 8.158 1.130 -13.919 1.00 0.00 C ATOM 1442 CD LYS A 91 9.257 0.392 -13.154 1.00 0.00 C ATOM 1443 CE LYS A 91 10.343 -0.067 -14.129 1.00 0.00 C ATOM 1444 NZ LYS A 91 11.685 0.205 -13.540 1.00 0.00 N ATOM 0 H LYS A 91 5.824 2.096 -13.444 1.00 0.00 H new ATOM 0 HA LYS A 91 6.232 1.030 -16.204 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.841 -0.570 -13.743 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.705 -0.494 -15.265 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.596 1.742 -14.708 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.624 1.806 -13.251 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.688 1.046 -12.396 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.836 -0.467 -12.632 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.234 -1.131 -14.337 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.238 0.456 -15.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.424 -0.107 -14.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.786 1.225 -13.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.782 -0.313 -12.644 1.00 0.00 H new ATOM 1458 N ASP A 92 4.296 -0.231 -13.830 1.00 0.00 N ATOM 1459 CA ASP A 92 3.081 -1.062 -13.629 1.00 0.00 C ATOM 1460 C ASP A 92 1.843 -0.240 -14.000 1.00 0.00 C ATOM 1461 O ASP A 92 0.725 -0.677 -13.819 1.00 0.00 O ATOM 1462 CB ASP A 92 2.991 -1.491 -12.164 1.00 0.00 C ATOM 1463 CG ASP A 92 2.474 -2.930 -12.086 1.00 0.00 C ATOM 1464 OD1 ASP A 92 1.632 -3.280 -12.894 1.00 0.00 O ATOM 1465 OD2 ASP A 92 2.933 -3.656 -11.218 1.00 0.00 O ATOM 0 H ASP A 92 4.702 0.158 -12.979 1.00 0.00 H new ATOM 0 HA ASP A 92 3.135 -1.949 -14.260 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.971 -1.419 -11.692 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.324 -0.823 -11.618 1.00 0.00 H new ATOM 1470 N ASP A 93 2.032 0.949 -14.518 1.00 0.00 N ATOM 1471 CA ASP A 93 0.860 1.790 -14.895 1.00 0.00 C ATOM 1472 C ASP A 93 -0.181 0.922 -15.609 1.00 0.00 C ATOM 1473 O ASP A 93 0.127 0.221 -16.550 1.00 0.00 O ATOM 1474 CB ASP A 93 1.315 2.910 -15.832 1.00 0.00 C ATOM 1475 CG ASP A 93 0.089 3.631 -16.398 1.00 0.00 C ATOM 1476 OD1 ASP A 93 -0.951 3.574 -15.763 1.00 0.00 O ATOM 1477 OD2 ASP A 93 0.211 4.226 -17.455 1.00 0.00 O ATOM 0 H ASP A 93 2.944 1.370 -14.694 1.00 0.00 H new ATOM 0 HA ASP A 93 0.420 2.223 -13.997 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.948 3.615 -15.293 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.915 2.499 -16.644 1.00 0.00 H new