USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 963 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 95 MET CE :methyl -114:sc= -0.592 (180deg=-1.62) USER MOD Set 1.2: A 97 TYR OH : rot 180:sc= -0.0348 USER MOD Set 2.1: A 78 TYR OH : rot 130:sc= 0.766 USER MOD Set 2.2: A 130 LYS NZ :NH3+ -143:sc= 0.818 (180deg=0) USER MOD Set 3.1: A 24 SER OG : rot 180:sc= 0.392 USER MOD Set 3.2: A 40 THR OG1 : rot -80:sc= 0.409 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= -1.16 K(o=-1.2,f=-1.8) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -6.86! C(o=-6.9!,f=-12!) USER MOD Single : A 28 ASN : amide:sc= -0.523 K(o=-0.52,f=-4.7!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 30:sc= -0.0156 USER MOD Single : A 36 THR OG1 : rot 58:sc= 1.23 USER MOD Single : A 38 MET CE :methyl -138:sc= -3.18 (180deg=-8.21!) USER MOD Single : A 41 TYR OH : rot -174:sc= -0.0128 USER MOD Single : A 43 SER OG : rot 137:sc= -0.791 USER MOD Single : A 44 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.17) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.109 K(o=-0.11,f=-4.9!) USER MOD Single : A 50 GLN : amide:sc=-0.00665 K(o=-0.0067,f=-1) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.554 F(o=-2.9!,f=-0.55) USER MOD Single : A 53 MET CE :methyl -144:sc= -1.09 (180deg=-5.45!) USER MOD Single : A 54 SER OG : rot 101:sc= -1.6! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc=-0.000447 USER MOD Single : A 61 HIS :FLIP no HE2:sc=-0.000527 F(o=-1,f=-0.00053) USER MOD Single : A 62 GLN : amide:sc=-0.000187 X(o=-0.00019,f=-0.021) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -1.43 F(o=-2.1,f=-1.4) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -140:sc= -0.515 USER MOD Single : A 72 GLN : amide:sc= -1.69 K(o=-1.7,f=-2.2) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 160:sc= -0.463 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.557 X(o=-0.56,f=-0.084) USER MOD Single : A 83 LYS NZ :NH3+ -158:sc= -2.34 (180deg=-4.21!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -170:sc= -1.79 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= -0.0106 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot -45:sc= 1.12 USER MOD Single : A 124 HIS : no HD1:sc= 0.123 K(o=0.12,f=-1.3) USER MOD Single : A 134 SER OG : rot 39:sc= -1.72! USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 154:sc= -0.107 (180deg=-0.609) USER MOD ----------------------------------------------------------------- ATOM 106 N PRO A 9 4.370 -3.747 7.220 1.00 0.00 N ATOM 107 CA PRO A 9 3.225 -4.163 6.341 1.00 0.00 C ATOM 108 C PRO A 9 2.533 -5.410 6.878 1.00 0.00 C ATOM 109 O PRO A 9 3.184 -6.303 7.431 1.00 0.00 O ATOM 110 CB PRO A 9 3.887 -4.453 4.983 1.00 0.00 C ATOM 111 CG PRO A 9 5.178 -3.709 5.018 1.00 0.00 C ATOM 112 CD PRO A 9 5.651 -3.783 6.459 1.00 0.00 C ATOM 0 HA PRO A 9 2.451 -3.398 6.284 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.051 -5.522 4.844 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.259 -4.116 4.158 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.907 -4.156 4.342 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.043 -2.675 4.702 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.214 -4.695 6.655 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.300 -2.946 6.717 1.00 0.00 H new ATOM 120 N THR A 10 1.216 -5.470 6.692 1.00 0.00 N ATOM 121 CA THR A 10 0.422 -6.611 7.131 1.00 0.00 C ATOM 122 C THR A 10 -0.194 -7.300 5.913 1.00 0.00 C ATOM 123 O THR A 10 -0.847 -6.650 5.090 1.00 0.00 O ATOM 124 CB THR A 10 -0.679 -6.129 8.102 1.00 0.00 C ATOM 125 OG1 THR A 10 -0.071 -5.486 9.214 1.00 0.00 O ATOM 126 CG2 THR A 10 -1.518 -7.317 8.604 1.00 0.00 C ATOM 0 H THR A 10 0.675 -4.735 6.237 1.00 0.00 H new ATOM 0 HA THR A 10 1.057 -7.327 7.653 1.00 0.00 H new ATOM 0 HB THR A 10 -1.333 -5.435 7.574 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.765 -5.177 9.833 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.288 -6.956 9.286 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.989 -7.814 7.756 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.873 -8.024 9.126 1.00 0.00 H new ATOM 134 N THR A 11 0.024 -8.616 5.804 1.00 0.00 N ATOM 135 CA THR A 11 -0.506 -9.390 4.681 1.00 0.00 C ATOM 136 C THR A 11 -1.609 -10.308 5.122 1.00 0.00 C ATOM 137 O THR A 11 -1.478 -11.028 6.118 1.00 0.00 O ATOM 138 CB THR A 11 0.605 -10.203 4.006 1.00 0.00 C ATOM 139 OG1 THR A 11 1.369 -10.879 4.995 1.00 0.00 O ATOM 140 CG2 THR A 11 1.516 -9.289 3.174 1.00 0.00 C ATOM 0 H THR A 11 0.561 -9.163 6.477 1.00 0.00 H new ATOM 0 HA THR A 11 -0.914 -8.680 3.962 1.00 0.00 H new ATOM 0 HB THR A 11 0.148 -10.933 3.338 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.077 -11.399 4.562 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.298 -9.885 2.703 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.927 -8.791 2.404 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.971 -8.541 3.823 1.00 0.00 H new ATOM 148 N VAL A 12 -2.708 -10.272 4.374 1.00 0.00 N ATOM 149 CA VAL A 12 -3.868 -11.100 4.673 1.00 0.00 C ATOM 150 C VAL A 12 -4.431 -11.746 3.419 1.00 0.00 C ATOM 151 O VAL A 12 -4.151 -11.307 2.305 1.00 0.00 O ATOM 152 CB VAL A 12 -4.950 -10.283 5.388 1.00 0.00 C ATOM 153 CG1 VAL A 12 -4.423 -9.800 6.735 1.00 0.00 C ATOM 154 CG2 VAL A 12 -5.368 -9.072 4.536 1.00 0.00 C ATOM 0 H VAL A 12 -2.818 -9.675 3.554 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.538 -11.897 5.339 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.821 -10.920 5.541 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.195 -9.220 7.241 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.154 -10.659 7.350 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.543 -9.176 6.579 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.137 -8.505 5.061 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.502 -8.433 4.362 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.762 -9.418 3.580 1.00 0.00 H new ATOM 164 N ALA A 13 -5.227 -12.798 3.614 1.00 0.00 N ATOM 165 CA ALA A 13 -5.849 -13.516 2.506 1.00 0.00 C ATOM 166 C ALA A 13 -7.364 -13.498 2.645 1.00 0.00 C ATOM 167 O ALA A 13 -7.889 -13.575 3.762 1.00 0.00 O ATOM 168 CB ALA A 13 -5.355 -14.964 2.467 1.00 0.00 C ATOM 0 H ALA A 13 -5.456 -13.172 4.535 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.571 -13.018 1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.827 -15.487 1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.273 -14.976 2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.612 -15.462 3.402 1.00 0.00 H new ATOM 174 N PHE A 14 -8.068 -13.417 1.505 1.00 0.00 N ATOM 175 CA PHE A 14 -9.533 -13.416 1.515 1.00 0.00 C ATOM 176 C PHE A 14 -10.088 -14.237 0.350 1.00 0.00 C ATOM 177 O PHE A 14 -9.391 -14.463 -0.646 1.00 0.00 O ATOM 178 CB PHE A 14 -10.084 -11.960 1.505 1.00 0.00 C ATOM 179 CG PHE A 14 -9.808 -11.256 0.178 1.00 0.00 C ATOM 180 CD1 PHE A 14 -10.796 -11.233 -0.816 1.00 0.00 C ATOM 181 CD2 PHE A 14 -8.578 -10.625 -0.047 1.00 0.00 C ATOM 182 CE1 PHE A 14 -10.555 -10.576 -2.032 1.00 0.00 C ATOM 183 CE2 PHE A 14 -8.338 -9.971 -1.267 1.00 0.00 C ATOM 184 CZ PHE A 14 -9.326 -9.946 -2.256 1.00 0.00 C ATOM 0 H PHE A 14 -7.650 -13.352 0.577 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.870 -13.889 2.437 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -11.158 -11.977 1.691 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.629 -11.394 2.318 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.744 -11.722 -0.646 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.815 -10.641 0.717 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.319 -10.557 -2.796 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.389 -9.487 -1.441 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.141 -9.441 -3.192 1.00 0.00 H new ATOM 194 N ASP A 15 -11.331 -14.709 0.502 1.00 0.00 N ATOM 195 CA ASP A 15 -11.964 -15.542 -0.518 1.00 0.00 C ATOM 196 C ASP A 15 -12.957 -14.747 -1.342 1.00 0.00 C ATOM 197 O ASP A 15 -13.902 -14.166 -0.794 1.00 0.00 O ATOM 198 CB ASP A 15 -12.685 -16.730 0.134 1.00 0.00 C ATOM 199 CG ASP A 15 -11.711 -17.537 0.987 1.00 0.00 C ATOM 200 OD1 ASP A 15 -11.601 -17.245 2.166 1.00 0.00 O ATOM 201 OD2 ASP A 15 -11.087 -18.437 0.446 1.00 0.00 O ATOM 0 H ASP A 15 -11.914 -14.527 1.319 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.177 -15.907 -1.177 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.508 -16.370 0.752 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.119 -17.368 -0.636 1.00 0.00 H new ATOM 206 N VAL A 16 -12.790 -14.794 -2.672 1.00 0.00 N ATOM 207 CA VAL A 16 -13.732 -14.147 -3.575 1.00 0.00 C ATOM 208 C VAL A 16 -14.768 -15.165 -4.022 1.00 0.00 C ATOM 209 O VAL A 16 -14.448 -16.104 -4.741 1.00 0.00 O ATOM 210 CB VAL A 16 -13.008 -13.513 -4.791 1.00 0.00 C ATOM 211 CG1 VAL A 16 -12.033 -12.436 -4.307 1.00 0.00 C ATOM 212 CG2 VAL A 16 -12.232 -14.583 -5.585 1.00 0.00 C ATOM 0 H VAL A 16 -12.016 -15.271 -3.136 1.00 0.00 H new ATOM 0 HA VAL A 16 -14.230 -13.334 -3.047 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.759 -13.068 -5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.526 -11.993 -5.164 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.582 -11.663 -3.770 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.296 -12.885 -3.642 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.732 -14.115 -6.433 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -11.489 -15.049 -4.938 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -12.926 -15.342 -5.946 1.00 0.00 H new ATOM 222 N ARG A 17 -15.992 -15.019 -3.515 1.00 0.00 N ATOM 223 CA ARG A 17 -17.063 -15.981 -3.790 1.00 0.00 C ATOM 224 C ARG A 17 -18.085 -15.424 -4.816 1.00 0.00 C ATOM 225 O ARG A 17 -18.830 -14.494 -4.497 1.00 0.00 O ATOM 226 CB ARG A 17 -17.757 -16.361 -2.477 1.00 0.00 C ATOM 227 CG ARG A 17 -16.746 -17.094 -1.574 1.00 0.00 C ATOM 228 CD ARG A 17 -17.305 -17.235 -0.159 1.00 0.00 C ATOM 229 NE ARG A 17 -18.543 -18.035 -0.165 1.00 0.00 N ATOM 230 CZ ARG A 17 -19.350 -18.159 0.922 1.00 0.00 C ATOM 231 NH1 ARG A 17 -19.066 -17.556 2.060 1.00 0.00 N ATOM 232 NH2 ARG A 17 -20.427 -18.888 0.836 1.00 0.00 N ATOM 0 H ARG A 17 -16.268 -14.244 -2.912 1.00 0.00 H new ATOM 0 HA ARG A 17 -16.621 -16.873 -4.235 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -18.132 -15.468 -1.976 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -18.617 -17.000 -2.676 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -16.527 -18.079 -1.986 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.806 -16.544 -1.548 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.564 -17.708 0.485 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -17.506 -16.248 0.258 1.00 0.00 H new ATOM 0 HE ARG A 17 -18.806 -18.518 -1.024 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -18.226 -16.982 2.137 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -19.686 -17.663 2.863 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -20.656 -19.358 -0.040 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -21.041 -18.989 1.645 1.00 0.00 H new ATOM 246 N PRO A 18 -18.123 -15.963 -6.067 1.00 0.00 N ATOM 247 CA PRO A 18 -19.058 -15.469 -7.128 1.00 0.00 C ATOM 248 C PRO A 18 -20.484 -15.977 -6.938 1.00 0.00 C ATOM 249 O PRO A 18 -20.742 -16.833 -6.087 1.00 0.00 O ATOM 250 CB PRO A 18 -18.458 -16.031 -8.405 1.00 0.00 C ATOM 251 CG PRO A 18 -17.857 -17.326 -7.994 1.00 0.00 C ATOM 252 CD PRO A 18 -17.290 -17.093 -6.597 1.00 0.00 C ATOM 0 HA PRO A 18 -19.147 -14.383 -7.120 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -19.219 -16.172 -9.173 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -17.707 -15.359 -8.820 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.604 -18.119 -7.986 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.074 -17.632 -8.688 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -17.378 -17.983 -5.974 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.233 -16.831 -6.631 1.00 0.00 H new ATOM 260 N GLY A 19 -21.404 -15.450 -7.756 1.00 0.00 N ATOM 261 CA GLY A 19 -22.816 -15.853 -7.699 1.00 0.00 C ATOM 262 C GLY A 19 -23.774 -14.670 -7.918 1.00 0.00 C ATOM 263 O GLY A 19 -24.947 -14.743 -7.534 1.00 0.00 O ATOM 0 H GLY A 19 -21.197 -14.745 -8.464 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -23.004 -16.614 -8.456 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -23.022 -16.309 -6.731 1.00 0.00 H new ATOM 267 N GLY A 20 -23.273 -13.582 -8.529 1.00 0.00 N ATOM 268 CA GLY A 20 -24.095 -12.394 -8.787 1.00 0.00 C ATOM 269 C GLY A 20 -24.442 -11.660 -7.486 1.00 0.00 C ATOM 270 O GLY A 20 -25.473 -10.983 -7.403 1.00 0.00 O ATOM 0 H GLY A 20 -22.308 -13.504 -8.850 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -23.561 -11.719 -9.456 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -25.013 -12.688 -9.296 1.00 0.00 H new ATOM 274 N VAL A 21 -23.581 -11.811 -6.472 1.00 0.00 N ATOM 275 CA VAL A 21 -23.791 -11.183 -5.169 1.00 0.00 C ATOM 276 C VAL A 21 -22.650 -10.213 -4.883 1.00 0.00 C ATOM 277 O VAL A 21 -21.473 -10.573 -5.005 1.00 0.00 O ATOM 278 CB VAL A 21 -23.871 -12.262 -4.055 1.00 0.00 C ATOM 279 CG1 VAL A 21 -24.112 -11.608 -2.683 1.00 0.00 C ATOM 280 CG2 VAL A 21 -25.019 -13.240 -4.355 1.00 0.00 C ATOM 0 H VAL A 21 -22.728 -12.367 -6.534 1.00 0.00 H new ATOM 0 HA VAL A 21 -24.733 -10.636 -5.184 1.00 0.00 H new ATOM 0 HB VAL A 21 -22.923 -12.800 -4.032 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -24.165 -12.381 -1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -23.292 -10.927 -2.456 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -25.050 -11.053 -2.704 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -25.069 -13.994 -3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -25.961 -12.694 -4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -24.841 -13.726 -5.314 1.00 0.00 H new ATOM 290 N VAL A 22 -23.007 -8.986 -4.502 1.00 0.00 N ATOM 291 CA VAL A 22 -22.013 -7.964 -4.194 1.00 0.00 C ATOM 292 C VAL A 22 -21.388 -8.271 -2.840 1.00 0.00 C ATOM 293 O VAL A 22 -22.083 -8.324 -1.819 1.00 0.00 O ATOM 294 CB VAL A 22 -22.666 -6.553 -4.191 1.00 0.00 C ATOM 295 CG1 VAL A 22 -21.617 -5.474 -3.873 1.00 0.00 C ATOM 296 CG2 VAL A 22 -23.279 -6.264 -5.569 1.00 0.00 C ATOM 0 H VAL A 22 -23.974 -8.679 -4.400 1.00 0.00 H new ATOM 0 HA VAL A 22 -21.236 -7.970 -4.959 1.00 0.00 H new ATOM 0 HB VAL A 22 -23.442 -6.533 -3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -22.092 -4.493 -3.875 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -21.184 -5.665 -2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -20.830 -5.498 -4.627 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -23.736 -5.274 -5.564 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -22.499 -6.299 -6.329 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -24.038 -7.013 -5.794 1.00 0.00 H new ATOM 306 N HIS A 23 -20.074 -8.484 -2.848 1.00 0.00 N ATOM 307 CA HIS A 23 -19.335 -8.807 -1.630 1.00 0.00 C ATOM 308 C HIS A 23 -18.373 -7.693 -1.277 1.00 0.00 C ATOM 309 O HIS A 23 -17.691 -7.145 -2.151 1.00 0.00 O ATOM 310 CB HIS A 23 -18.552 -10.114 -1.799 1.00 0.00 C ATOM 311 CG HIS A 23 -19.497 -11.259 -2.055 1.00 0.00 C ATOM 312 ND1 HIS A 23 -20.339 -11.761 -1.074 1.00 0.00 N ATOM 313 CD2 HIS A 23 -19.737 -12.015 -3.174 1.00 0.00 C ATOM 314 CE1 HIS A 23 -21.037 -12.775 -1.619 1.00 0.00 C ATOM 315 NE2 HIS A 23 -20.708 -12.971 -2.898 1.00 0.00 N ATOM 0 H HIS A 23 -19.497 -8.438 -3.688 1.00 0.00 H new ATOM 0 HA HIS A 23 -20.060 -8.925 -0.825 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -17.850 -10.021 -2.627 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -17.964 -10.312 -0.903 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -20.415 -11.423 -0.115 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -19.245 -11.887 -4.127 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -21.773 -13.359 -1.087 1.00 0.00 H new ATOM 323 N SER A 24 -18.308 -7.377 0.013 1.00 0.00 N ATOM 324 CA SER A 24 -17.412 -6.339 0.509 1.00 0.00 C ATOM 325 C SER A 24 -16.438 -6.908 1.531 1.00 0.00 C ATOM 326 O SER A 24 -16.845 -7.540 2.511 1.00 0.00 O ATOM 327 CB SER A 24 -18.216 -5.203 1.142 1.00 0.00 C ATOM 328 OG SER A 24 -19.040 -4.600 0.151 1.00 0.00 O ATOM 0 H SER A 24 -18.868 -7.828 0.736 1.00 0.00 H new ATOM 0 HA SER A 24 -16.844 -5.950 -0.336 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.830 -5.587 1.957 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.543 -4.461 1.572 1.00 0.00 H new ATOM 0 HG SER A 24 -19.558 -3.872 0.555 1.00 0.00 H new ATOM 334 N PHE A 25 -15.155 -6.643 1.310 1.00 0.00 N ATOM 335 CA PHE A 25 -14.093 -7.081 2.219 1.00 0.00 C ATOM 336 C PHE A 25 -13.237 -5.895 2.622 1.00 0.00 C ATOM 337 O PHE A 25 -13.098 -4.941 1.853 1.00 0.00 O ATOM 338 CB PHE A 25 -13.229 -8.160 1.561 1.00 0.00 C ATOM 339 CG PHE A 25 -14.061 -9.398 1.327 1.00 0.00 C ATOM 340 CD1 PHE A 25 -14.768 -9.554 0.132 1.00 0.00 C ATOM 341 CD2 PHE A 25 -14.123 -10.393 2.312 1.00 0.00 C ATOM 342 CE1 PHE A 25 -15.537 -10.704 -0.080 1.00 0.00 C ATOM 343 CE2 PHE A 25 -14.892 -11.543 2.098 1.00 0.00 C ATOM 344 CZ PHE A 25 -15.600 -11.698 0.902 1.00 0.00 C ATOM 0 H PHE A 25 -14.819 -6.121 0.501 1.00 0.00 H new ATOM 0 HA PHE A 25 -14.552 -7.508 3.111 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -12.829 -7.794 0.616 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -12.377 -8.397 2.198 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -14.721 -8.788 -0.628 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -13.577 -10.273 3.236 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -16.083 -10.824 -1.004 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -14.939 -12.310 2.856 1.00 0.00 H new ATOM 0 HZ PHE A 25 -16.195 -12.584 0.737 1.00 0.00 H new ATOM 354 N SER A 26 -12.703 -5.931 3.849 1.00 0.00 N ATOM 355 CA SER A 26 -11.907 -4.817 4.360 1.00 0.00 C ATOM 356 C SER A 26 -10.847 -5.289 5.347 1.00 0.00 C ATOM 357 O SER A 26 -10.888 -6.426 5.826 1.00 0.00 O ATOM 358 CB SER A 26 -12.817 -3.800 5.029 1.00 0.00 C ATOM 359 OG SER A 26 -13.336 -4.352 6.233 1.00 0.00 O ATOM 0 H SER A 26 -12.808 -6.712 4.497 1.00 0.00 H new ATOM 0 HA SER A 26 -11.395 -4.356 3.515 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.264 -2.886 5.244 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.633 -3.529 4.359 1.00 0.00 H new ATOM 0 HG SER A 26 -13.922 -3.697 6.667 1.00 0.00 H new ATOM 365 N HIS A 27 -9.890 -4.401 5.635 1.00 0.00 N ATOM 366 CA HIS A 27 -8.794 -4.706 6.557 1.00 0.00 C ATOM 367 C HIS A 27 -8.317 -3.439 7.267 1.00 0.00 C ATOM 368 O HIS A 27 -8.373 -2.341 6.702 1.00 0.00 O ATOM 369 CB HIS A 27 -7.631 -5.358 5.797 1.00 0.00 C ATOM 370 CG HIS A 27 -6.627 -5.911 6.776 1.00 0.00 C ATOM 371 ND1 HIS A 27 -5.611 -5.136 7.312 1.00 0.00 N ATOM 372 CD2 HIS A 27 -6.475 -7.158 7.322 1.00 0.00 C ATOM 373 CE1 HIS A 27 -4.899 -5.920 8.143 1.00 0.00 C ATOM 374 NE2 HIS A 27 -5.385 -7.162 8.185 1.00 0.00 N ATOM 0 H HIS A 27 -9.854 -3.461 5.240 1.00 0.00 H new ATOM 0 HA HIS A 27 -9.160 -5.404 7.310 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.005 -6.156 5.156 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.153 -4.625 5.147 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.106 -8.009 7.114 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.040 -5.585 8.706 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.032 -7.947 8.733 1.00 0.00 H new ATOM 382 N ASN A 28 -7.872 -3.604 8.517 1.00 0.00 N ATOM 383 CA ASN A 28 -7.411 -2.479 9.330 1.00 0.00 C ATOM 384 C ASN A 28 -6.356 -2.926 10.338 1.00 0.00 C ATOM 385 O ASN A 28 -6.162 -4.125 10.560 1.00 0.00 O ATOM 386 CB ASN A 28 -8.594 -1.834 10.062 1.00 0.00 C ATOM 387 CG ASN A 28 -9.235 -2.834 11.028 1.00 0.00 C ATOM 388 OD1 ASN A 28 -9.277 -4.035 10.749 1.00 0.00 O ATOM 389 ND2 ASN A 28 -9.734 -2.406 12.155 1.00 0.00 N ATOM 0 H ASN A 28 -7.822 -4.508 8.986 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.958 -1.745 8.664 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -8.255 -0.955 10.611 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.334 -1.492 9.339 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.160 -3.065 12.807 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.698 -1.413 12.384 1.00 0.00 H new ATOM 396 N VAL A 29 -5.677 -1.948 10.942 1.00 0.00 N ATOM 397 CA VAL A 29 -4.629 -2.220 11.934 1.00 0.00 C ATOM 398 C VAL A 29 -4.928 -1.488 13.240 1.00 0.00 C ATOM 399 O VAL A 29 -5.706 -0.528 13.257 1.00 0.00 O ATOM 400 CB VAL A 29 -3.244 -1.811 11.390 1.00 0.00 C ATOM 401 CG1 VAL A 29 -2.903 -2.674 10.173 1.00 0.00 C ATOM 402 CG2 VAL A 29 -3.249 -0.320 10.975 1.00 0.00 C ATOM 0 H VAL A 29 -5.834 -0.956 10.762 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.615 -3.292 12.133 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.499 -1.959 12.172 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.925 -2.387 9.786 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.884 -3.724 10.465 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.657 -2.526 9.399 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.266 -0.045 10.593 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.997 -0.161 10.198 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.488 0.298 11.841 1.00 0.00 H new ATOM 412 N GLY A 30 -4.352 -1.988 14.344 1.00 0.00 N ATOM 413 CA GLY A 30 -4.613 -1.421 15.671 1.00 0.00 C ATOM 414 C GLY A 30 -4.206 0.066 15.765 1.00 0.00 C ATOM 415 O GLY A 30 -5.019 0.890 16.198 1.00 0.00 O ATOM 0 H GLY A 30 -3.707 -2.778 14.342 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.673 -1.520 15.904 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.067 -1.993 16.421 1.00 0.00 H new ATOM 419 N PRO A 31 -2.976 0.451 15.347 1.00 0.00 N ATOM 420 CA PRO A 31 -2.543 1.892 15.388 1.00 0.00 C ATOM 421 C PRO A 31 -3.483 2.762 14.556 1.00 0.00 C ATOM 422 O PRO A 31 -3.925 3.827 14.996 1.00 0.00 O ATOM 423 CB PRO A 31 -1.142 1.860 14.759 1.00 0.00 C ATOM 424 CG PRO A 31 -0.663 0.464 14.972 1.00 0.00 C ATOM 425 CD PRO A 31 -1.893 -0.415 14.810 1.00 0.00 C ATOM 0 HA PRO A 31 -2.552 2.311 16.394 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.178 2.109 13.698 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.478 2.583 15.233 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.108 0.198 14.248 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.224 0.346 15.963 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.066 -0.683 13.768 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.803 -1.347 15.368 1.00 0.00 H new ATOM 433 N GLY A 32 -3.812 2.260 13.369 1.00 0.00 N ATOM 434 CA GLY A 32 -4.739 2.928 12.457 1.00 0.00 C ATOM 435 C GLY A 32 -6.164 2.421 12.659 1.00 0.00 C ATOM 436 O GLY A 32 -6.818 2.001 11.698 1.00 0.00 O ATOM 0 H GLY A 32 -3.444 1.379 13.011 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.705 4.005 12.623 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.430 2.754 11.426 1.00 0.00 H new ATOM 440 N ASP A 33 -6.633 2.436 13.913 1.00 0.00 N ATOM 441 CA ASP A 33 -7.978 1.943 14.231 1.00 0.00 C ATOM 442 C ASP A 33 -9.057 2.734 13.486 1.00 0.00 C ATOM 443 O ASP A 33 -10.092 2.174 13.109 1.00 0.00 O ATOM 444 CB ASP A 33 -8.222 1.971 15.742 1.00 0.00 C ATOM 445 CG ASP A 33 -7.921 3.349 16.313 1.00 0.00 C ATOM 446 OD1 ASP A 33 -8.833 4.150 16.382 1.00 0.00 O ATOM 447 OD2 ASP A 33 -6.779 3.583 16.675 1.00 0.00 O ATOM 0 H ASP A 33 -6.107 2.780 14.716 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.040 0.908 13.894 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.257 1.703 15.953 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.594 1.225 16.230 1.00 0.00 H new ATOM 452 N LYS A 34 -8.778 4.018 13.213 1.00 0.00 N ATOM 453 CA LYS A 34 -9.702 4.860 12.434 1.00 0.00 C ATOM 454 C LYS A 34 -9.422 4.761 10.919 1.00 0.00 C ATOM 455 O LYS A 34 -10.157 5.339 10.115 1.00 0.00 O ATOM 456 CB LYS A 34 -9.597 6.337 12.870 1.00 0.00 C ATOM 457 CG LYS A 34 -9.952 6.502 14.363 1.00 0.00 C ATOM 458 CD LYS A 34 -11.440 6.186 14.605 1.00 0.00 C ATOM 459 CE LYS A 34 -11.789 6.460 16.070 1.00 0.00 C ATOM 460 NZ LYS A 34 -13.228 6.147 16.307 1.00 0.00 N ATOM 0 H LYS A 34 -7.928 4.494 13.517 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.709 4.491 12.629 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.585 6.701 12.691 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.267 6.947 12.264 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.331 5.839 14.965 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.734 7.521 14.684 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.063 6.796 13.951 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.646 5.144 14.360 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.162 5.854 16.724 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.588 7.503 16.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.464 6.333 17.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.819 6.744 15.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.406 5.145 16.091 1.00 0.00 H new ATOM 474 N TYR A 35 -8.348 4.036 10.541 1.00 0.00 N ATOM 475 CA TYR A 35 -7.975 3.889 9.129 1.00 0.00 C ATOM 476 C TYR A 35 -8.206 2.463 8.647 1.00 0.00 C ATOM 477 O TYR A 35 -7.793 1.503 9.305 1.00 0.00 O ATOM 478 CB TYR A 35 -6.502 4.264 8.926 1.00 0.00 C ATOM 479 CG TYR A 35 -6.300 5.726 9.241 1.00 0.00 C ATOM 480 CD1 TYR A 35 -5.919 6.118 10.530 1.00 0.00 C ATOM 481 CD2 TYR A 35 -6.494 6.689 8.246 1.00 0.00 C ATOM 482 CE1 TYR A 35 -5.731 7.474 10.822 1.00 0.00 C ATOM 483 CE2 TYR A 35 -6.305 8.044 8.539 1.00 0.00 C ATOM 484 CZ TYR A 35 -5.924 8.437 9.827 1.00 0.00 C ATOM 485 OH TYR A 35 -5.740 9.774 10.114 1.00 0.00 O ATOM 0 H TYR A 35 -7.732 3.549 11.192 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.605 4.561 8.546 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.869 3.653 9.570 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.203 4.059 7.898 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.770 5.374 11.299 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.790 6.387 7.252 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.437 7.776 11.816 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.453 8.788 7.770 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.063 9.868 10.817 1.00 0.00 H new ATOM 495 N THR A 36 -8.864 2.335 7.489 1.00 0.00 N ATOM 496 CA THR A 36 -9.148 1.024 6.904 1.00 0.00 C ATOM 497 C THR A 36 -9.372 1.123 5.391 1.00 0.00 C ATOM 498 O THR A 36 -9.766 2.176 4.880 1.00 0.00 O ATOM 499 CB THR A 36 -10.375 0.384 7.589 1.00 0.00 C ATOM 500 OG1 THR A 36 -10.613 -0.901 7.029 1.00 0.00 O ATOM 501 CG2 THR A 36 -11.618 1.270 7.405 1.00 0.00 C ATOM 0 H THR A 36 -9.208 3.123 6.941 1.00 0.00 H new ATOM 0 HA THR A 36 -8.279 0.388 7.071 1.00 0.00 H new ATOM 0 HB THR A 36 -10.173 0.287 8.656 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.814 -1.458 7.136 1.00 0.00 H new ATOM 0 HG21 THR A 36 -12.473 0.803 7.894 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.436 2.249 7.848 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.827 1.387 6.342 1.00 0.00 H new ATOM 509 N CYS A 37 -9.158 0.000 4.693 1.00 0.00 N ATOM 510 CA CYS A 37 -9.380 -0.068 3.245 1.00 0.00 C ATOM 511 C CYS A 37 -10.503 -1.052 2.939 1.00 0.00 C ATOM 512 O CYS A 37 -10.692 -2.035 3.665 1.00 0.00 O ATOM 513 CB CYS A 37 -8.095 -0.491 2.516 1.00 0.00 C ATOM 514 SG CYS A 37 -6.809 0.761 2.769 1.00 0.00 S ATOM 0 H CYS A 37 -8.832 -0.873 5.108 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.664 0.923 2.891 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.754 -1.457 2.890 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.293 -0.613 1.451 1.00 0.00 H new ATOM 519 N MET A 38 -11.273 -0.758 1.888 1.00 0.00 N ATOM 520 CA MET A 38 -12.420 -1.594 1.509 1.00 0.00 C ATOM 521 C MET A 38 -12.376 -1.981 0.047 1.00 0.00 C ATOM 522 O MET A 38 -11.855 -1.240 -0.792 1.00 0.00 O ATOM 523 CB MET A 38 -13.731 -0.866 1.790 1.00 0.00 C ATOM 524 CG MET A 38 -13.877 -0.650 3.289 1.00 0.00 C ATOM 525 SD MET A 38 -15.534 -0.017 3.659 1.00 0.00 S ATOM 526 CE MET A 38 -15.329 1.629 2.934 1.00 0.00 C ATOM 0 H MET A 38 -11.125 0.051 1.284 1.00 0.00 H new ATOM 0 HA MET A 38 -12.363 -2.501 2.111 1.00 0.00 H new ATOM 0 HB2 MET A 38 -13.747 0.092 1.270 1.00 0.00 H new ATOM 0 HB3 MET A 38 -14.571 -1.448 1.412 1.00 0.00 H new ATOM 0 HG2 MET A 38 -13.709 -1.588 3.819 1.00 0.00 H new ATOM 0 HG3 MET A 38 -13.122 0.054 3.640 1.00 0.00 H new ATOM 0 HE1 MET A 38 -15.778 2.374 3.591 1.00 0.00 H new ATOM 0 HE2 MET A 38 -14.267 1.844 2.814 1.00 0.00 H new ATOM 0 HE3 MET A 38 -15.818 1.661 1.961 1.00 0.00 H new ATOM 536 N PHE A 39 -12.952 -3.142 -0.249 1.00 0.00 N ATOM 537 CA PHE A 39 -13.019 -3.649 -1.613 1.00 0.00 C ATOM 538 C PHE A 39 -14.396 -4.273 -1.884 1.00 0.00 C ATOM 539 O PHE A 39 -14.750 -5.300 -1.298 1.00 0.00 O ATOM 540 CB PHE A 39 -11.907 -4.685 -1.835 1.00 0.00 C ATOM 541 CG PHE A 39 -11.822 -5.055 -3.304 1.00 0.00 C ATOM 542 CD1 PHE A 39 -11.290 -4.141 -4.224 1.00 0.00 C ATOM 543 CD2 PHE A 39 -12.263 -6.311 -3.742 1.00 0.00 C ATOM 544 CE1 PHE A 39 -11.201 -4.483 -5.579 1.00 0.00 C ATOM 545 CE2 PHE A 39 -12.175 -6.651 -5.097 1.00 0.00 C ATOM 546 CZ PHE A 39 -11.644 -5.738 -6.015 1.00 0.00 C ATOM 0 H PHE A 39 -13.382 -3.753 0.445 1.00 0.00 H new ATOM 0 HA PHE A 39 -12.876 -2.822 -2.308 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.952 -4.282 -1.498 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -12.105 -5.576 -1.239 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -10.949 -3.173 -3.888 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.671 -7.017 -3.034 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -10.791 -3.779 -6.288 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -12.517 -7.618 -5.434 1.00 0.00 H new ATOM 0 HZ PHE A 39 -11.576 -6.001 -7.060 1.00 0.00 H new ATOM 556 N THR A 40 -15.162 -3.637 -2.778 1.00 0.00 N ATOM 557 CA THR A 40 -16.507 -4.116 -3.143 1.00 0.00 C ATOM 558 C THR A 40 -16.522 -4.553 -4.619 1.00 0.00 C ATOM 559 O THR A 40 -16.013 -3.837 -5.485 1.00 0.00 O ATOM 560 CB THR A 40 -17.546 -2.998 -2.896 1.00 0.00 C ATOM 561 OG1 THR A 40 -17.498 -2.613 -1.530 1.00 0.00 O ATOM 562 CG2 THR A 40 -18.961 -3.502 -3.223 1.00 0.00 C ATOM 0 H THR A 40 -14.876 -2.788 -3.265 1.00 0.00 H new ATOM 0 HA THR A 40 -16.766 -4.975 -2.524 1.00 0.00 H new ATOM 0 HB THR A 40 -17.312 -2.149 -3.538 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.000 -3.259 -0.990 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.682 -2.704 -3.044 1.00 0.00 H new ATOM 0 HG22 THR A 40 -19.007 -3.805 -4.269 1.00 0.00 H new ATOM 0 HG23 THR A 40 -19.199 -4.355 -2.588 1.00 0.00 H new ATOM 570 N TYR A 41 -17.055 -5.759 -4.881 1.00 0.00 N ATOM 571 CA TYR A 41 -17.061 -6.315 -6.249 1.00 0.00 C ATOM 572 C TYR A 41 -18.225 -7.295 -6.493 1.00 0.00 C ATOM 573 O TYR A 41 -18.797 -7.852 -5.553 1.00 0.00 O ATOM 574 CB TYR A 41 -15.714 -7.016 -6.528 1.00 0.00 C ATOM 575 CG TYR A 41 -15.509 -8.155 -5.542 1.00 0.00 C ATOM 576 CD1 TYR A 41 -15.902 -9.458 -5.875 1.00 0.00 C ATOM 577 CD2 TYR A 41 -14.944 -7.894 -4.291 1.00 0.00 C ATOM 578 CE1 TYR A 41 -15.724 -10.494 -4.953 1.00 0.00 C ATOM 579 CE2 TYR A 41 -14.765 -8.928 -3.374 1.00 0.00 C ATOM 580 CZ TYR A 41 -15.155 -10.228 -3.703 1.00 0.00 C ATOM 581 OH TYR A 41 -14.980 -11.244 -2.796 1.00 0.00 O ATOM 0 H TYR A 41 -17.482 -6.361 -4.177 1.00 0.00 H new ATOM 0 HA TYR A 41 -17.203 -5.481 -6.936 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -15.698 -7.399 -7.548 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -14.897 -6.299 -6.444 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -16.341 -9.661 -6.841 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -14.645 -6.888 -4.034 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -16.026 -11.500 -5.206 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -14.325 -8.724 -2.409 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.661 -10.873 -1.947 1.00 0.00 H new ATOM 591 N ALA A 42 -18.513 -7.534 -7.780 1.00 0.00 N ATOM 592 CA ALA A 42 -19.545 -8.489 -8.199 1.00 0.00 C ATOM 593 C ALA A 42 -19.000 -9.375 -9.323 1.00 0.00 C ATOM 594 O ALA A 42 -18.292 -8.883 -10.216 1.00 0.00 O ATOM 595 CB ALA A 42 -20.791 -7.743 -8.684 1.00 0.00 C ATOM 0 H ALA A 42 -18.039 -7.072 -8.556 1.00 0.00 H new ATOM 0 HA ALA A 42 -19.818 -9.112 -7.347 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -21.549 -8.463 -8.992 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -21.183 -7.126 -7.876 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -20.529 -7.108 -9.530 1.00 0.00 H new ATOM 601 N SER A 43 -19.294 -10.689 -9.258 1.00 0.00 N ATOM 602 CA SER A 43 -18.778 -11.640 -10.259 1.00 0.00 C ATOM 603 C SER A 43 -19.670 -12.855 -10.416 1.00 0.00 C ATOM 604 O SER A 43 -20.484 -13.169 -9.541 1.00 0.00 O ATOM 605 CB SER A 43 -17.386 -12.100 -9.878 1.00 0.00 C ATOM 606 OG SER A 43 -16.865 -12.932 -10.908 1.00 0.00 O ATOM 0 H SER A 43 -19.877 -11.110 -8.534 1.00 0.00 H new ATOM 0 HA SER A 43 -18.755 -11.110 -11.211 1.00 0.00 H new ATOM 0 HB2 SER A 43 -16.735 -11.239 -9.727 1.00 0.00 H new ATOM 0 HB3 SER A 43 -17.417 -12.646 -8.935 1.00 0.00 H new ATOM 0 HG SER A 43 -15.929 -12.696 -11.077 1.00 0.00 H new ATOM 612 N GLN A 44 -19.477 -13.557 -11.534 1.00 0.00 N ATOM 613 CA GLN A 44 -20.216 -14.774 -11.834 1.00 0.00 C ATOM 614 C GLN A 44 -19.250 -15.944 -12.037 1.00 0.00 C ATOM 615 O GLN A 44 -18.291 -15.847 -12.810 1.00 0.00 O ATOM 616 CB GLN A 44 -21.060 -14.576 -13.099 1.00 0.00 C ATOM 617 CG GLN A 44 -21.999 -15.779 -13.314 1.00 0.00 C ATOM 618 CD GLN A 44 -23.008 -15.887 -12.168 1.00 0.00 C ATOM 619 OE1 GLN A 44 -23.726 -14.929 -11.880 1.00 0.00 O ATOM 620 NE2 GLN A 44 -23.104 -17.002 -11.498 1.00 0.00 N ATOM 0 H GLN A 44 -18.803 -13.294 -12.253 1.00 0.00 H new ATOM 0 HA GLN A 44 -20.874 -14.999 -10.994 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -21.646 -13.661 -13.013 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -20.407 -14.457 -13.964 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -22.527 -15.670 -14.261 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -21.414 -16.697 -13.378 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -22.508 -17.794 -11.738 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.775 -17.082 -10.734 1.00 0.00 H new ATOM 629 N GLY A 45 -19.516 -17.040 -11.334 1.00 0.00 N ATOM 630 CA GLY A 45 -18.690 -18.240 -11.407 1.00 0.00 C ATOM 631 C GLY A 45 -19.127 -19.244 -10.348 1.00 0.00 C ATOM 632 O GLY A 45 -20.044 -18.966 -9.567 1.00 0.00 O ATOM 0 H GLY A 45 -20.309 -17.121 -10.698 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.771 -18.687 -12.398 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.642 -17.979 -11.260 1.00 0.00 H new ATOM 636 N GLY A 46 -18.480 -20.416 -10.332 1.00 0.00 N ATOM 637 CA GLY A 46 -18.827 -21.471 -9.365 1.00 0.00 C ATOM 638 C GLY A 46 -17.665 -21.827 -8.419 1.00 0.00 C ATOM 639 O GLY A 46 -17.827 -22.678 -7.537 1.00 0.00 O ATOM 0 H GLY A 46 -17.721 -20.659 -10.969 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -19.683 -21.147 -8.774 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -19.134 -22.366 -9.907 1.00 0.00 H new ATOM 643 N THR A 47 -16.498 -21.185 -8.607 1.00 0.00 N ATOM 644 CA THR A 47 -15.327 -21.461 -7.762 1.00 0.00 C ATOM 645 C THR A 47 -14.722 -20.158 -7.240 1.00 0.00 C ATOM 646 O THR A 47 -14.485 -19.226 -8.011 1.00 0.00 O ATOM 647 CB THR A 47 -14.278 -22.264 -8.560 1.00 0.00 C ATOM 648 OG1 THR A 47 -14.882 -23.450 -9.062 1.00 0.00 O ATOM 649 CG2 THR A 47 -13.099 -22.653 -7.649 1.00 0.00 C ATOM 0 H THR A 47 -16.343 -20.480 -9.328 1.00 0.00 H new ATOM 0 HA THR A 47 -15.646 -22.055 -6.905 1.00 0.00 H new ATOM 0 HB THR A 47 -13.910 -21.649 -9.381 1.00 0.00 H new ATOM 0 HG1 THR A 47 -14.221 -23.963 -9.571 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.366 -23.219 -8.224 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.632 -21.751 -7.254 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.463 -23.265 -6.824 1.00 0.00 H new ATOM 657 N ASN A 48 -14.463 -20.110 -5.927 1.00 0.00 N ATOM 658 CA ASN A 48 -13.873 -18.929 -5.312 1.00 0.00 C ATOM 659 C ASN A 48 -12.356 -18.926 -5.489 1.00 0.00 C ATOM 660 O ASN A 48 -11.792 -19.868 -6.057 1.00 0.00 O ATOM 661 CB ASN A 48 -14.233 -18.865 -3.826 1.00 0.00 C ATOM 662 CG ASN A 48 -13.663 -20.081 -3.098 1.00 0.00 C ATOM 663 OD1 ASN A 48 -13.836 -21.212 -3.550 1.00 0.00 O ATOM 664 ND2 ASN A 48 -12.987 -19.913 -1.996 1.00 0.00 N ATOM 0 H ASN A 48 -14.654 -20.874 -5.279 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.278 -18.048 -5.809 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.837 -17.949 -3.387 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.316 -18.834 -3.707 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.600 -20.720 -1.507 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.845 -18.974 -1.623 1.00 0.00 H new ATOM 671 N GLU A 49 -11.700 -17.854 -5.010 1.00 0.00 N ATOM 672 CA GLU A 49 -10.254 -17.729 -5.134 1.00 0.00 C ATOM 673 C GLU A 49 -9.651 -16.988 -3.949 1.00 0.00 C ATOM 674 O GLU A 49 -10.306 -16.149 -3.324 1.00 0.00 O ATOM 675 CB GLU A 49 -9.895 -17.013 -6.443 1.00 0.00 C ATOM 676 CG GLU A 49 -8.388 -17.128 -6.720 1.00 0.00 C ATOM 677 CD GLU A 49 -7.973 -18.597 -6.876 1.00 0.00 C ATOM 678 OE1 GLU A 49 -8.476 -19.242 -7.783 1.00 0.00 O ATOM 679 OE2 GLU A 49 -7.173 -19.054 -6.076 1.00 0.00 O ATOM 0 H GLU A 49 -12.153 -17.071 -4.538 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.834 -18.735 -5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.457 -17.448 -7.269 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.181 -15.963 -6.381 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.137 -16.576 -7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.828 -16.672 -5.904 1.00 0.00 H new ATOM 686 N GLN A 50 -8.388 -17.311 -3.652 1.00 0.00 N ATOM 687 CA GLN A 50 -7.670 -16.686 -2.554 1.00 0.00 C ATOM 688 C GLN A 50 -6.736 -15.593 -3.071 1.00 0.00 C ATOM 689 O GLN A 50 -5.842 -15.854 -3.880 1.00 0.00 O ATOM 690 CB GLN A 50 -6.861 -17.732 -1.793 1.00 0.00 C ATOM 691 CG GLN A 50 -7.815 -18.703 -1.093 1.00 0.00 C ATOM 692 CD GLN A 50 -7.032 -19.858 -0.459 1.00 0.00 C ATOM 693 OE1 GLN A 50 -6.004 -20.286 -0.990 1.00 0.00 O ATOM 694 NE2 GLN A 50 -7.460 -20.388 0.652 1.00 0.00 N ATOM 0 H GLN A 50 -7.846 -18.007 -4.164 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.400 -16.234 -1.883 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.211 -18.275 -2.479 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.216 -17.247 -1.060 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.382 -18.176 -0.326 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.536 -19.095 -1.810 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.310 -20.034 1.091 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.945 -21.156 1.082 1.00 0.00 H new ATOM 703 N TRP A 51 -6.950 -14.376 -2.581 1.00 0.00 N ATOM 704 CA TRP A 51 -6.138 -13.216 -2.955 1.00 0.00 C ATOM 705 C TRP A 51 -5.434 -12.644 -1.734 1.00 0.00 C ATOM 706 O TRP A 51 -5.966 -12.708 -0.626 1.00 0.00 O ATOM 707 CB TRP A 51 -7.021 -12.135 -3.583 1.00 0.00 C ATOM 708 CG TRP A 51 -7.462 -12.542 -4.959 1.00 0.00 C ATOM 709 CD1 TRP A 51 -8.238 -13.615 -5.250 1.00 0.00 C ATOM 710 CD2 TRP A 51 -7.185 -11.879 -6.228 1.00 0.00 C ATOM 711 NE1 TRP A 51 -8.439 -13.659 -6.623 1.00 0.00 N ATOM 712 CE2 TRP A 51 -7.809 -12.605 -7.267 1.00 0.00 C ATOM 713 CE3 TRP A 51 -6.450 -10.727 -6.572 1.00 0.00 C ATOM 714 CZ2 TRP A 51 -7.710 -12.205 -8.605 1.00 0.00 C ATOM 715 CZ3 TRP A 51 -6.348 -10.318 -7.916 1.00 0.00 C ATOM 716 CH2 TRP A 51 -6.975 -11.053 -8.931 1.00 0.00 C ATOM 0 H TRP A 51 -7.691 -14.163 -1.913 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.391 -13.540 -3.679 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -7.893 -11.960 -2.953 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.472 -11.195 -3.635 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -8.634 -14.319 -4.533 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -8.983 -14.378 -7.099 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -5.961 -10.153 -5.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -8.195 -12.778 -9.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.783 -9.432 -8.166 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.894 -10.735 -9.960 1.00 0.00 H new ATOM 727 N GLN A 52 -4.240 -12.074 -1.945 1.00 0.00 N ATOM 728 CA GLN A 52 -3.462 -11.481 -0.847 1.00 0.00 C ATOM 729 C GLN A 52 -3.631 -9.972 -0.835 1.00 0.00 C ATOM 730 O GLN A 52 -3.683 -9.335 -1.893 1.00 0.00 O ATOM 731 CB GLN A 52 -1.964 -11.811 -0.998 1.00 0.00 C ATOM 732 CG GLN A 52 -1.742 -13.335 -0.999 1.00 0.00 C ATOM 733 CD GLN A 52 -2.186 -13.951 0.332 1.00 0.00 C ATOM 734 OE1 GLN A 52 -2.986 -14.984 0.333 1.00 0.00 O flip ATOM 735 NE2 GLN A 52 -1.787 -13.481 1.397 1.00 0.00 N flip ATOM 0 H GLN A 52 -3.793 -12.011 -2.860 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.832 -11.902 0.088 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.583 -11.382 -1.925 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.402 -11.357 -0.182 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.300 -13.788 -1.818 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.688 -13.553 -1.172 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.162 -12.675 1.396 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.081 -13.898 2.280 1.00 0.00 H new ATOM 744 N MET A 53 -3.693 -9.405 0.370 1.00 0.00 N ATOM 745 CA MET A 53 -3.826 -7.961 0.537 1.00 0.00 C ATOM 746 C MET A 53 -2.728 -7.460 1.438 1.00 0.00 C ATOM 747 O MET A 53 -2.544 -7.982 2.539 1.00 0.00 O ATOM 748 CB MET A 53 -5.182 -7.604 1.156 1.00 0.00 C ATOM 749 CG MET A 53 -6.318 -8.112 0.269 1.00 0.00 C ATOM 750 SD MET A 53 -7.897 -7.472 0.880 1.00 0.00 S ATOM 751 CE MET A 53 -7.985 -8.476 2.385 1.00 0.00 C ATOM 0 H MET A 53 -3.653 -9.927 1.246 1.00 0.00 H new ATOM 0 HA MET A 53 -3.755 -7.492 -0.445 1.00 0.00 H new ATOM 0 HB2 MET A 53 -5.263 -8.043 2.150 1.00 0.00 H new ATOM 0 HB3 MET A 53 -5.261 -6.524 1.278 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.159 -7.793 -0.761 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.332 -9.202 0.267 1.00 0.00 H new ATOM 0 HE1 MET A 53 -9.021 -8.754 2.577 1.00 0.00 H new ATOM 0 HE2 MET A 53 -7.385 -9.377 2.257 1.00 0.00 H new ATOM 0 HE3 MET A 53 -7.601 -7.902 3.228 1.00 0.00 H new ATOM 761 N SER A 54 -2.005 -6.442 0.978 1.00 0.00 N ATOM 762 CA SER A 54 -0.918 -5.870 1.758 1.00 0.00 C ATOM 763 C SER A 54 -1.189 -4.419 2.072 1.00 0.00 C ATOM 764 O SER A 54 -1.487 -3.622 1.177 1.00 0.00 O ATOM 765 CB SER A 54 0.395 -6.000 1.000 1.00 0.00 C ATOM 766 OG SER A 54 0.710 -7.376 0.850 1.00 0.00 O ATOM 0 H SER A 54 -2.154 -5.999 0.071 1.00 0.00 H new ATOM 0 HA SER A 54 -0.846 -6.419 2.697 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.314 -5.524 0.023 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.192 -5.488 1.539 1.00 0.00 H new ATOM 0 HG SER A 54 0.467 -7.671 -0.053 1.00 0.00 H new ATOM 772 N LEU A 55 -1.067 -4.079 3.351 1.00 0.00 N ATOM 773 CA LEU A 55 -1.282 -2.705 3.806 1.00 0.00 C ATOM 774 C LEU A 55 -0.148 -2.253 4.707 1.00 0.00 C ATOM 775 O LEU A 55 0.339 -3.018 5.545 1.00 0.00 O ATOM 776 CB LEU A 55 -2.638 -2.565 4.536 1.00 0.00 C ATOM 777 CG LEU A 55 -2.735 -3.568 5.731 1.00 0.00 C ATOM 778 CD1 LEU A 55 -3.584 -2.963 6.858 1.00 0.00 C ATOM 779 CD2 LEU A 55 -3.394 -4.884 5.268 1.00 0.00 C ATOM 0 H LEU A 55 -0.820 -4.734 4.093 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.302 -2.063 2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.755 -1.545 4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.453 -2.748 3.836 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.727 -3.769 6.094 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.646 -3.669 7.686 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.123 -2.038 7.204 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.586 -2.752 6.485 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.456 -5.575 6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.396 -4.677 4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.795 -5.331 4.474 1.00 0.00 H new ATOM 791 N GLY A 56 0.280 -1.006 4.512 1.00 0.00 N ATOM 792 CA GLY A 56 1.371 -0.434 5.287 1.00 0.00 C ATOM 793 C GLY A 56 1.119 1.036 5.561 1.00 0.00 C ATOM 794 O GLY A 56 0.373 1.699 4.825 1.00 0.00 O ATOM 0 H GLY A 56 -0.118 -0.372 3.819 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.476 -0.972 6.229 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.310 -0.553 4.746 1.00 0.00 H new ATOM 798 N THR A 57 1.732 1.537 6.631 1.00 0.00 N ATOM 799 CA THR A 57 1.572 2.934 7.027 1.00 0.00 C ATOM 800 C THR A 57 2.922 3.578 7.303 1.00 0.00 C ATOM 801 O THR A 57 3.902 2.890 7.610 1.00 0.00 O ATOM 802 CB THR A 57 0.688 3.035 8.281 1.00 0.00 C ATOM 803 OG1 THR A 57 1.301 2.326 9.351 1.00 0.00 O ATOM 804 CG2 THR A 57 -0.700 2.445 7.997 1.00 0.00 C ATOM 0 H THR A 57 2.345 0.995 7.240 1.00 0.00 H new ATOM 0 HA THR A 57 1.093 3.464 6.204 1.00 0.00 H new ATOM 0 HB THR A 57 0.576 4.084 8.556 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.739 2.391 10.151 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.318 2.522 8.892 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.170 2.997 7.183 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.599 1.397 7.714 1.00 0.00 H new ATOM 812 N SER A 58 2.954 4.908 7.222 1.00 0.00 N ATOM 813 CA SER A 58 4.162 5.676 7.492 1.00 0.00 C ATOM 814 C SER A 58 4.516 5.591 8.971 1.00 0.00 C ATOM 815 O SER A 58 3.635 5.383 9.810 1.00 0.00 O ATOM 816 CB SER A 58 3.961 7.135 7.087 1.00 0.00 C ATOM 817 OG SER A 58 5.132 7.878 7.402 1.00 0.00 O ATOM 0 H SER A 58 2.147 5.478 6.969 1.00 0.00 H new ATOM 0 HA SER A 58 4.981 5.258 6.907 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.751 7.202 6.020 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.100 7.553 7.608 1.00 0.00 H new ATOM 0 HG SER A 58 5.005 8.814 7.141 1.00 0.00 H new ATOM 823 N GLU A 59 5.807 5.736 9.285 1.00 0.00 N ATOM 824 CA GLU A 59 6.267 5.678 10.682 1.00 0.00 C ATOM 825 C GLU A 59 5.552 6.736 11.549 1.00 0.00 C ATOM 826 O GLU A 59 5.387 6.549 12.758 1.00 0.00 O ATOM 827 CB GLU A 59 7.798 5.859 10.754 1.00 0.00 C ATOM 828 CG GLU A 59 8.203 7.224 10.170 1.00 0.00 C ATOM 829 CD GLU A 59 9.721 7.347 10.131 1.00 0.00 C ATOM 830 OE1 GLU A 59 10.346 6.527 9.477 1.00 0.00 O ATOM 831 OE2 GLU A 59 10.239 8.260 10.752 1.00 0.00 O ATOM 0 H GLU A 59 6.548 5.893 8.601 1.00 0.00 H new ATOM 0 HA GLU A 59 6.015 4.695 11.080 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.131 5.785 11.789 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.292 5.059 10.203 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.796 7.334 9.165 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.781 8.027 10.775 1.00 0.00 H new ATOM 838 N ASP A 60 5.091 7.821 10.904 1.00 0.00 N ATOM 839 CA ASP A 60 4.343 8.882 11.593 1.00 0.00 C ATOM 840 C ASP A 60 2.808 8.683 11.456 1.00 0.00 C ATOM 841 O ASP A 60 2.026 9.481 11.977 1.00 0.00 O ATOM 842 CB ASP A 60 4.735 10.251 11.030 1.00 0.00 C ATOM 843 CG ASP A 60 6.228 10.494 11.228 1.00 0.00 C ATOM 844 OD1 ASP A 60 6.707 10.257 12.325 1.00 0.00 O ATOM 845 OD2 ASP A 60 6.871 10.915 10.280 1.00 0.00 O ATOM 0 H ASP A 60 5.224 7.985 9.906 1.00 0.00 H new ATOM 0 HA ASP A 60 4.598 8.832 12.652 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.489 10.300 9.969 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.163 11.034 11.527 1.00 0.00 H new ATOM 850 N HIS A 61 2.393 7.616 10.740 1.00 0.00 N ATOM 851 CA HIS A 61 0.963 7.312 10.519 1.00 0.00 C ATOM 852 C HIS A 61 0.259 8.440 9.743 1.00 0.00 C ATOM 853 O HIS A 61 -0.963 8.602 9.835 1.00 0.00 O ATOM 854 CB HIS A 61 0.258 7.071 11.865 1.00 0.00 C ATOM 855 CG HIS A 61 0.851 5.857 12.530 1.00 0.00 C ATOM 856 ND1 HIS A 61 2.055 5.651 13.156 1.00 0.00 N flip ATOM 857 CD2 HIS A 61 0.184 4.643 12.583 1.00 0.00 C flip ATOM 858 CE1 HIS A 61 2.136 4.333 13.594 1.00 0.00 C flip ATOM 859 NE2 HIS A 61 0.984 3.769 13.224 1.00 0.00 N flip ATOM 0 H HIS A 61 3.030 6.949 10.304 1.00 0.00 H new ATOM 0 HA HIS A 61 0.903 6.406 9.916 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.371 7.943 12.509 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.811 6.927 11.708 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.780 6.357 13.281 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.798 4.436 12.183 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.955 3.866 14.121 1.00 0.00 H new ATOM 867 N GLN A 62 1.041 9.187 8.957 1.00 0.00 N ATOM 868 CA GLN A 62 0.510 10.278 8.127 1.00 0.00 C ATOM 869 C GLN A 62 0.039 9.777 6.748 1.00 0.00 C ATOM 870 O GLN A 62 -0.869 10.360 6.148 1.00 0.00 O ATOM 871 CB GLN A 62 1.557 11.394 7.966 1.00 0.00 C ATOM 872 CG GLN A 62 2.836 10.826 7.347 1.00 0.00 C ATOM 873 CD GLN A 62 3.801 11.956 7.003 1.00 0.00 C ATOM 874 OE1 GLN A 62 3.463 12.845 6.221 1.00 0.00 O ATOM 875 NE2 GLN A 62 4.988 11.978 7.546 1.00 0.00 N ATOM 0 H GLN A 62 2.049 9.056 8.877 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.361 10.683 8.642 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.159 12.189 7.335 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.779 11.839 8.936 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.309 10.133 8.043 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.593 10.259 6.448 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.266 11.241 8.194 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.637 12.732 7.323 1.00 0.00 H new ATOM 884 N HIS A 63 0.662 8.690 6.257 1.00 0.00 N ATOM 885 CA HIS A 63 0.303 8.108 4.953 1.00 0.00 C ATOM 886 C HIS A 63 -0.210 6.677 5.109 1.00 0.00 C ATOM 887 O HIS A 63 0.325 5.898 5.904 1.00 0.00 O ATOM 888 CB HIS A 63 1.510 8.114 3.997 1.00 0.00 C ATOM 889 CG HIS A 63 1.865 9.523 3.602 1.00 0.00 C ATOM 890 ND1 HIS A 63 2.925 10.330 3.926 1.00 0.00 N flip ATOM 891 CD2 HIS A 63 1.085 10.260 2.728 1.00 0.00 C flip ATOM 892 CE1 HIS A 63 2.810 11.547 3.265 1.00 0.00 C flip ATOM 893 NE2 HIS A 63 1.683 11.452 2.557 1.00 0.00 N flip ATOM 0 H HIS A 63 1.413 8.199 6.742 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.491 8.725 4.532 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.365 7.639 4.479 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.279 7.528 3.107 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.163 9.936 2.267 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.486 12.388 3.314 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.319 12.194 1.959 1.00 0.00 H new ATOM 901 N PHE A 64 -1.235 6.334 4.319 1.00 0.00 N ATOM 902 CA PHE A 64 -1.815 4.987 4.332 1.00 0.00 C ATOM 903 C PHE A 64 -1.881 4.426 2.916 1.00 0.00 C ATOM 904 O PHE A 64 -2.256 5.136 1.986 1.00 0.00 O ATOM 905 CB PHE A 64 -3.228 5.017 4.934 1.00 0.00 C ATOM 906 CG PHE A 64 -3.171 5.469 6.376 1.00 0.00 C ATOM 907 CD1 PHE A 64 -3.315 6.824 6.694 1.00 0.00 C ATOM 908 CD2 PHE A 64 -2.981 4.528 7.395 1.00 0.00 C ATOM 909 CE1 PHE A 64 -3.268 7.238 8.031 1.00 0.00 C ATOM 910 CE2 PHE A 64 -2.933 4.942 8.731 1.00 0.00 C ATOM 911 CZ PHE A 64 -3.076 6.296 9.049 1.00 0.00 C ATOM 0 H PHE A 64 -1.680 6.974 3.661 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.179 4.348 4.944 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.862 5.691 4.359 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.678 4.026 4.873 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.462 7.550 5.909 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.871 3.482 7.150 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.380 8.284 8.277 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.785 4.216 9.516 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.038 6.615 10.080 1.00 0.00 H new ATOM 921 N THR A 65 -1.520 3.143 2.759 1.00 0.00 N ATOM 922 CA THR A 65 -1.555 2.492 1.442 1.00 0.00 C ATOM 923 C THR A 65 -2.068 1.051 1.529 1.00 0.00 C ATOM 924 O THR A 65 -1.669 0.291 2.414 1.00 0.00 O ATOM 925 CB THR A 65 -0.160 2.520 0.788 1.00 0.00 C ATOM 926 OG1 THR A 65 -0.222 1.896 -0.485 1.00 0.00 O ATOM 927 CG2 THR A 65 0.865 1.790 1.672 1.00 0.00 C ATOM 0 H THR A 65 -1.204 2.542 3.520 1.00 0.00 H new ATOM 0 HA THR A 65 -2.253 3.055 0.822 1.00 0.00 H new ATOM 0 HB THR A 65 0.154 3.558 0.674 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.665 1.915 -0.902 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.844 1.820 1.194 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.921 2.279 2.644 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.558 0.753 1.805 1.00 0.00 H new ATOM 935 N CYS A 66 -2.917 0.678 0.563 1.00 0.00 N ATOM 936 CA CYS A 66 -3.451 -0.688 0.478 1.00 0.00 C ATOM 937 C CYS A 66 -3.302 -1.239 -0.940 1.00 0.00 C ATOM 938 O CYS A 66 -3.597 -0.544 -1.914 1.00 0.00 O ATOM 939 CB CYS A 66 -4.925 -0.719 0.897 1.00 0.00 C ATOM 940 SG CYS A 66 -5.070 -0.265 2.647 1.00 0.00 S ATOM 0 H CYS A 66 -3.249 1.303 -0.171 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.878 -1.316 1.160 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.503 -0.028 0.283 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.339 -1.714 0.733 1.00 0.00 H new ATOM 945 N THR A 67 -2.844 -2.495 -1.047 1.00 0.00 N ATOM 946 CA THR A 67 -2.658 -3.141 -2.356 1.00 0.00 C ATOM 947 C THR A 67 -3.289 -4.541 -2.361 1.00 0.00 C ATOM 948 O THR A 67 -3.072 -5.331 -1.437 1.00 0.00 O ATOM 949 CB THR A 67 -1.156 -3.226 -2.686 1.00 0.00 C ATOM 950 OG1 THR A 67 -0.594 -1.922 -2.623 1.00 0.00 O ATOM 951 CG2 THR A 67 -0.947 -3.789 -4.104 1.00 0.00 C ATOM 0 H THR A 67 -2.597 -3.081 -0.249 1.00 0.00 H new ATOM 0 HA THR A 67 -3.155 -2.542 -3.119 1.00 0.00 H new ATOM 0 HB THR A 67 -0.673 -3.886 -1.966 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.048 -1.807 -3.354 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.120 -3.842 -4.321 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.380 -4.787 -4.167 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.433 -3.137 -4.830 1.00 0.00 H new ATOM 959 N ILE A 68 -4.082 -4.833 -3.405 1.00 0.00 N ATOM 960 CA ILE A 68 -4.761 -6.140 -3.520 1.00 0.00 C ATOM 961 C ILE A 68 -4.388 -6.818 -4.857 1.00 0.00 C ATOM 962 O ILE A 68 -4.584 -6.232 -5.926 1.00 0.00 O ATOM 963 CB ILE A 68 -6.306 -5.946 -3.440 1.00 0.00 C ATOM 964 CG1 ILE A 68 -6.671 -5.215 -2.122 1.00 0.00 C ATOM 965 CG2 ILE A 68 -7.002 -7.326 -3.465 1.00 0.00 C ATOM 966 CD1 ILE A 68 -8.133 -4.741 -2.162 1.00 0.00 C ATOM 0 H ILE A 68 -4.269 -4.191 -4.175 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.437 -6.777 -2.697 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.638 -5.352 -4.291 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.521 -5.883 -1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.009 -4.362 -1.976 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.082 -7.190 -3.409 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.749 -7.844 -4.390 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.666 -7.918 -2.614 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.375 -4.230 -1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.271 -4.056 -2.998 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.791 -5.601 -2.286 1.00 0.00 H new ATOM 978 N TRP A 69 -3.881 -8.070 -4.787 1.00 0.00 N ATOM 979 CA TRP A 69 -3.529 -8.816 -6.013 1.00 0.00 C ATOM 980 C TRP A 69 -3.527 -10.342 -5.785 1.00 0.00 C ATOM 981 O TRP A 69 -3.477 -10.814 -4.644 1.00 0.00 O ATOM 982 CB TRP A 69 -2.155 -8.344 -6.570 1.00 0.00 C ATOM 983 CG TRP A 69 -1.020 -8.800 -5.693 1.00 0.00 C ATOM 984 CD1 TRP A 69 -0.253 -9.888 -5.928 1.00 0.00 C ATOM 985 CD2 TRP A 69 -0.535 -8.215 -4.461 1.00 0.00 C ATOM 986 NE1 TRP A 69 0.683 -9.999 -4.920 1.00 0.00 N ATOM 987 CE2 TRP A 69 0.548 -8.991 -3.989 1.00 0.00 C ATOM 988 CE3 TRP A 69 -0.924 -7.095 -3.715 1.00 0.00 C ATOM 989 CZ2 TRP A 69 1.223 -8.667 -2.819 1.00 0.00 C ATOM 990 CZ3 TRP A 69 -0.246 -6.763 -2.531 1.00 0.00 C ATOM 991 CH2 TRP A 69 0.826 -7.551 -2.085 1.00 0.00 C ATOM 0 H TRP A 69 -3.710 -8.574 -3.917 1.00 0.00 H new ATOM 0 HA TRP A 69 -4.300 -8.600 -6.752 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -2.016 -8.734 -7.579 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -2.145 -7.257 -6.644 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -0.356 -10.560 -6.767 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.387 -10.735 -4.870 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.749 -6.484 -4.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.049 -9.275 -2.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.551 -5.898 -1.961 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.343 -7.293 -1.173 1.00 0.00 H new ATOM 1002 N ARG A 70 -3.520 -11.088 -6.893 1.00 0.00 N ATOM 1003 CA ARG A 70 -3.453 -12.548 -6.857 1.00 0.00 C ATOM 1004 C ARG A 70 -1.967 -13.001 -6.695 1.00 0.00 C ATOM 1005 O ARG A 70 -1.125 -12.600 -7.504 1.00 0.00 O ATOM 1006 CB ARG A 70 -4.036 -13.121 -8.166 1.00 0.00 C ATOM 1007 CG ARG A 70 -4.018 -14.657 -8.139 1.00 0.00 C ATOM 1008 CD ARG A 70 -5.133 -15.183 -7.236 1.00 0.00 C ATOM 1009 NE ARG A 70 -5.011 -16.647 -7.088 1.00 0.00 N ATOM 1010 CZ ARG A 70 -5.375 -17.525 -8.061 1.00 0.00 C ATOM 1011 NH1 ARG A 70 -5.854 -17.109 -9.210 1.00 0.00 N ATOM 1012 NH2 ARG A 70 -5.243 -18.804 -7.852 1.00 0.00 N ATOM 0 H ARG A 70 -3.560 -10.698 -7.835 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.033 -12.919 -6.012 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.058 -12.766 -8.301 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.458 -12.760 -9.017 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.144 -15.047 -9.149 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.052 -15.010 -7.779 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.078 -14.704 -6.258 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.105 -14.931 -7.660 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.636 -17.017 -6.215 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.959 -16.110 -9.387 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.121 -17.785 -9.926 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.869 -19.140 -6.964 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.513 -19.470 -8.576 1.00 0.00 H new ATOM 1026 N PRO A 71 -1.614 -13.804 -5.656 1.00 0.00 N ATOM 1027 CA PRO A 71 -0.193 -14.243 -5.443 1.00 0.00 C ATOM 1028 C PRO A 71 0.266 -15.236 -6.510 1.00 0.00 C ATOM 1029 O PRO A 71 1.429 -15.223 -6.925 1.00 0.00 O ATOM 1030 CB PRO A 71 -0.227 -14.908 -4.069 1.00 0.00 C ATOM 1031 CG PRO A 71 -1.620 -15.414 -3.928 1.00 0.00 C ATOM 1032 CD PRO A 71 -2.506 -14.378 -4.610 1.00 0.00 C ATOM 0 HA PRO A 71 0.508 -13.411 -5.506 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.498 -15.720 -4.004 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.018 -14.198 -3.279 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.730 -16.392 -4.396 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.890 -15.530 -2.878 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.396 -14.833 -5.045 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.847 -13.616 -3.909 1.00 0.00 H new ATOM 1040 N GLN A 72 -0.666 -16.081 -6.959 1.00 0.00 N ATOM 1041 CA GLN A 72 -0.385 -17.071 -7.995 1.00 0.00 C ATOM 1042 C GLN A 72 -0.129 -16.404 -9.339 1.00 0.00 C ATOM 1043 O GLN A 72 0.745 -16.831 -10.100 1.00 0.00 O ATOM 1044 CB GLN A 72 -1.535 -18.074 -8.096 1.00 0.00 C ATOM 1045 CG GLN A 72 -1.540 -18.964 -6.846 1.00 0.00 C ATOM 1046 CD GLN A 72 -2.653 -20.003 -6.932 1.00 0.00 C ATOM 1047 OE1 GLN A 72 -2.922 -20.539 -8.007 1.00 0.00 O ATOM 1048 NE2 GLN A 72 -3.311 -20.328 -5.852 1.00 0.00 N ATOM 0 H GLN A 72 -1.627 -16.097 -6.617 1.00 0.00 H new ATOM 0 HA GLN A 72 0.521 -17.608 -7.715 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.485 -17.548 -8.186 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.423 -18.685 -8.992 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.576 -19.463 -6.744 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.676 -18.350 -5.956 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.085 -19.881 -4.963 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.051 -21.028 -5.897 1.00 0.00 H new ATOM 1057 N GLY A 73 -0.899 -15.351 -9.620 1.00 0.00 N ATOM 1058 CA GLY A 73 -0.768 -14.606 -10.864 1.00 0.00 C ATOM 1059 C GLY A 73 -2.129 -14.154 -11.388 1.00 0.00 C ATOM 1060 O GLY A 73 -2.410 -12.952 -11.445 1.00 0.00 O ATOM 0 H GLY A 73 -1.623 -14.997 -8.995 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.131 -13.736 -10.704 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.276 -15.228 -11.612 1.00 0.00 H new ATOM 1064 N LYS A 74 -2.957 -15.124 -11.799 1.00 0.00 N ATOM 1065 CA LYS A 74 -4.283 -14.820 -12.356 1.00 0.00 C ATOM 1066 C LYS A 74 -5.336 -15.831 -11.931 1.00 0.00 C ATOM 1067 O LYS A 74 -5.036 -17.004 -11.705 1.00 0.00 O ATOM 1068 CB LYS A 74 -4.216 -14.751 -13.889 1.00 0.00 C ATOM 1069 CG LYS A 74 -3.676 -16.077 -14.465 1.00 0.00 C ATOM 1070 CD LYS A 74 -3.573 -15.979 -15.996 1.00 0.00 C ATOM 1071 CE LYS A 74 -2.373 -15.106 -16.386 1.00 0.00 C ATOM 1072 NZ LYS A 74 -2.268 -15.041 -17.871 1.00 0.00 N ATOM 0 H LYS A 74 -2.735 -16.119 -11.757 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.580 -13.850 -11.958 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.208 -14.549 -14.294 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.573 -13.926 -14.194 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.697 -16.297 -14.039 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.336 -16.899 -14.188 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.464 -16.975 -16.426 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.490 -15.554 -16.404 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.490 -14.103 -15.975 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.457 -15.519 -15.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.455 -14.449 -18.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.137 -16.000 -18.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.139 -14.628 -18.263 1.00 0.00 H new ATOM 1086 N SER A 75 -6.584 -15.362 -11.884 1.00 0.00 N ATOM 1087 CA SER A 75 -7.726 -16.197 -11.540 1.00 0.00 C ATOM 1088 C SER A 75 -8.686 -16.273 -12.721 1.00 0.00 C ATOM 1089 O SER A 75 -8.838 -15.292 -13.459 1.00 0.00 O ATOM 1090 CB SER A 75 -8.450 -15.609 -10.334 1.00 0.00 C ATOM 1091 OG SER A 75 -8.967 -14.327 -10.676 1.00 0.00 O ATOM 0 H SER A 75 -6.827 -14.392 -12.084 1.00 0.00 H new ATOM 0 HA SER A 75 -7.373 -17.199 -11.297 1.00 0.00 H new ATOM 0 HB2 SER A 75 -9.260 -16.270 -10.023 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.766 -15.525 -9.490 1.00 0.00 H new ATOM 0 HG SER A 75 -9.683 -14.086 -10.052 1.00 0.00 H new ATOM 1097 N TYR A 76 -9.334 -17.438 -12.906 1.00 0.00 N ATOM 1098 CA TYR A 76 -10.274 -17.610 -14.018 1.00 0.00 C ATOM 1099 C TYR A 76 -11.731 -17.488 -13.537 1.00 0.00 C ATOM 1100 O TYR A 76 -12.398 -18.489 -13.249 1.00 0.00 O ATOM 1101 CB TYR A 76 -10.044 -18.973 -14.695 1.00 0.00 C ATOM 1102 CG TYR A 76 -10.831 -19.042 -15.987 1.00 0.00 C ATOM 1103 CD1 TYR A 76 -10.305 -18.482 -17.155 1.00 0.00 C ATOM 1104 CD2 TYR A 76 -12.085 -19.662 -16.011 1.00 0.00 C ATOM 1105 CE1 TYR A 76 -11.032 -18.542 -18.348 1.00 0.00 C ATOM 1106 CE2 TYR A 76 -12.813 -19.722 -17.204 1.00 0.00 C ATOM 1107 CZ TYR A 76 -12.287 -19.162 -18.373 1.00 0.00 C ATOM 1108 OH TYR A 76 -13.004 -19.222 -19.549 1.00 0.00 O ATOM 0 H TYR A 76 -9.224 -18.258 -12.309 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.094 -16.817 -14.744 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.982 -19.115 -14.897 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.352 -19.778 -14.027 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.337 -18.003 -17.136 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.491 -20.094 -15.108 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.625 -18.110 -19.250 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.781 -20.201 -17.223 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.852 -19.687 -19.392 1.00 0.00 H new ATOM 1118 N LEU A 77 -12.221 -16.249 -13.515 1.00 0.00 N ATOM 1119 CA LEU A 77 -13.607 -15.953 -13.149 1.00 0.00 C ATOM 1120 C LEU A 77 -14.157 -14.830 -14.018 1.00 0.00 C ATOM 1121 O LEU A 77 -13.402 -13.942 -14.434 1.00 0.00 O ATOM 1122 CB LEU A 77 -13.721 -15.589 -11.657 1.00 0.00 C ATOM 1123 CG LEU A 77 -13.530 -16.844 -10.784 1.00 0.00 C ATOM 1124 CD1 LEU A 77 -13.359 -16.420 -9.324 1.00 0.00 C ATOM 1125 CD2 LEU A 77 -14.771 -17.751 -10.897 1.00 0.00 C ATOM 0 H LEU A 77 -11.670 -15.423 -13.750 1.00 0.00 H new ATOM 0 HA LEU A 77 -14.202 -16.850 -13.321 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.971 -14.841 -11.400 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.696 -15.144 -11.458 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.648 -17.387 -11.123 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.223 -17.305 -8.702 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.485 -15.775 -9.232 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -14.246 -15.878 -8.996 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -14.631 -18.637 -10.278 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.652 -17.206 -10.557 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.908 -18.052 -11.936 1.00 0.00 H new ATOM 1137 N TYR A 78 -15.477 -14.847 -14.266 1.00 0.00 N ATOM 1138 CA TYR A 78 -16.108 -13.797 -15.062 1.00 0.00 C ATOM 1139 C TYR A 78 -16.633 -12.717 -14.133 1.00 0.00 C ATOM 1140 O TYR A 78 -17.715 -12.847 -13.570 1.00 0.00 O ATOM 1141 CB TYR A 78 -17.248 -14.390 -15.898 1.00 0.00 C ATOM 1142 CG TYR A 78 -17.686 -13.398 -16.958 1.00 0.00 C ATOM 1143 CD1 TYR A 78 -16.851 -13.127 -18.049 1.00 0.00 C ATOM 1144 CD2 TYR A 78 -18.927 -12.758 -16.854 1.00 0.00 C ATOM 1145 CE1 TYR A 78 -17.257 -12.217 -19.034 1.00 0.00 C ATOM 1146 CE2 TYR A 78 -19.333 -11.848 -17.839 1.00 0.00 C ATOM 1147 CZ TYR A 78 -18.496 -11.578 -18.928 1.00 0.00 C ATOM 1148 OH TYR A 78 -18.895 -10.682 -19.900 1.00 0.00 O ATOM 0 H TYR A 78 -16.115 -15.568 -13.929 1.00 0.00 H new ATOM 0 HA TYR A 78 -15.377 -13.359 -15.742 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -16.920 -15.317 -16.369 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -18.090 -14.641 -15.253 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -15.893 -13.620 -18.131 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -19.572 -12.966 -16.013 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -16.613 -12.009 -19.875 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -20.291 -11.355 -17.758 1.00 0.00 H new ATOM 0 HH TYR A 78 -19.801 -10.907 -20.200 1.00 0.00 H new ATOM 1158 N PHE A 79 -15.823 -11.673 -13.940 1.00 0.00 N ATOM 1159 CA PHE A 79 -16.161 -10.586 -13.019 1.00 0.00 C ATOM 1160 C PHE A 79 -17.095 -9.588 -13.674 1.00 0.00 C ATOM 1161 O PHE A 79 -16.860 -9.166 -14.807 1.00 0.00 O ATOM 1162 CB PHE A 79 -14.886 -9.857 -12.575 1.00 0.00 C ATOM 1163 CG PHE A 79 -14.020 -10.778 -11.750 1.00 0.00 C ATOM 1164 CD1 PHE A 79 -13.004 -11.522 -12.365 1.00 0.00 C ATOM 1165 CD2 PHE A 79 -14.226 -10.885 -10.370 1.00 0.00 C ATOM 1166 CE1 PHE A 79 -12.197 -12.372 -11.599 1.00 0.00 C ATOM 1167 CE2 PHE A 79 -13.419 -11.735 -9.605 1.00 0.00 C ATOM 1168 CZ PHE A 79 -12.405 -12.479 -10.220 1.00 0.00 C ATOM 0 H PHE A 79 -14.926 -11.558 -14.411 1.00 0.00 H new ATOM 0 HA PHE A 79 -16.660 -11.024 -12.155 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -14.333 -9.511 -13.448 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -15.147 -8.973 -11.993 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.843 -11.440 -13.430 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -15.008 -10.311 -9.895 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -11.414 -12.945 -12.073 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -13.579 -11.817 -8.540 1.00 0.00 H new ATOM 0 HZ PHE A 79 -11.783 -13.136 -9.630 1.00 0.00 H new ATOM 1178 N THR A 80 -18.120 -9.159 -12.924 1.00 0.00 N ATOM 1179 CA THR A 80 -19.043 -8.137 -13.421 1.00 0.00 C ATOM 1180 C THR A 80 -18.329 -6.784 -13.411 1.00 0.00 C ATOM 1181 O THR A 80 -18.401 -6.021 -14.375 1.00 0.00 O ATOM 1182 CB THR A 80 -20.310 -8.085 -12.533 1.00 0.00 C ATOM 1183 OG1 THR A 80 -20.936 -9.359 -12.532 1.00 0.00 O ATOM 1184 CG2 THR A 80 -21.302 -7.041 -13.076 1.00 0.00 C ATOM 0 H THR A 80 -18.327 -9.500 -11.985 1.00 0.00 H new ATOM 0 HA THR A 80 -19.351 -8.380 -14.438 1.00 0.00 H new ATOM 0 HB THR A 80 -20.018 -7.808 -11.520 1.00 0.00 H new ATOM 0 HG1 THR A 80 -21.738 -9.329 -11.969 1.00 0.00 H new ATOM 0 HG21 THR A 80 -22.188 -7.016 -12.441 1.00 0.00 H new ATOM 0 HG22 THR A 80 -20.830 -6.058 -13.080 1.00 0.00 H new ATOM 0 HG23 THR A 80 -21.591 -7.308 -14.092 1.00 0.00 H new ATOM 1192 N GLN A 81 -17.603 -6.530 -12.317 1.00 0.00 N ATOM 1193 CA GLN A 81 -16.813 -5.310 -12.139 1.00 0.00 C ATOM 1194 C GLN A 81 -16.182 -5.312 -10.752 1.00 0.00 C ATOM 1195 O GLN A 81 -16.550 -6.132 -9.903 1.00 0.00 O ATOM 1196 CB GLN A 81 -17.672 -4.037 -12.341 1.00 0.00 C ATOM 1197 CG GLN A 81 -18.859 -4.030 -11.368 1.00 0.00 C ATOM 1198 CD GLN A 81 -19.723 -2.797 -11.612 1.00 0.00 C ATOM 1199 OE1 GLN A 81 -20.278 -2.632 -12.698 1.00 0.00 O ATOM 1200 NE2 GLN A 81 -19.870 -1.917 -10.660 1.00 0.00 N ATOM 0 H GLN A 81 -17.548 -7.171 -11.525 1.00 0.00 H new ATOM 0 HA GLN A 81 -16.030 -5.295 -12.897 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.060 -3.149 -12.183 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.035 -3.995 -13.368 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -19.454 -4.934 -11.500 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -18.498 -4.034 -10.340 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -19.409 -2.056 -9.761 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -20.446 -1.090 -10.815 1.00 0.00 H new ATOM 1209 N PHE A 82 -15.247 -4.392 -10.519 1.00 0.00 N ATOM 1210 CA PHE A 82 -14.583 -4.290 -9.215 1.00 0.00 C ATOM 1211 C PHE A 82 -14.374 -2.836 -8.817 1.00 0.00 C ATOM 1212 O PHE A 82 -14.194 -1.971 -9.676 1.00 0.00 O ATOM 1213 CB PHE A 82 -13.238 -5.051 -9.224 1.00 0.00 C ATOM 1214 CG PHE A 82 -12.333 -4.516 -10.322 1.00 0.00 C ATOM 1215 CD1 PHE A 82 -11.468 -3.448 -10.066 1.00 0.00 C ATOM 1216 CD2 PHE A 82 -12.367 -5.097 -11.596 1.00 0.00 C ATOM 1217 CE1 PHE A 82 -10.638 -2.961 -11.084 1.00 0.00 C ATOM 1218 CE2 PHE A 82 -11.539 -4.609 -12.611 1.00 0.00 C ATOM 1219 CZ PHE A 82 -10.676 -3.542 -12.356 1.00 0.00 C ATOM 0 H PHE A 82 -14.932 -3.710 -11.209 1.00 0.00 H new ATOM 0 HA PHE A 82 -15.234 -4.751 -8.472 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -12.747 -4.946 -8.256 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.416 -6.115 -9.377 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -11.440 -2.999 -9.084 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -13.034 -5.923 -11.794 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -9.969 -2.137 -10.887 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.567 -5.058 -13.593 1.00 0.00 H new ATOM 0 HZ PHE A 82 -10.037 -3.165 -13.141 1.00 0.00 H new ATOM 1229 N LYS A 83 -14.443 -2.574 -7.505 1.00 0.00 N ATOM 1230 CA LYS A 83 -14.314 -1.206 -6.973 1.00 0.00 C ATOM 1231 C LYS A 83 -13.526 -1.239 -5.659 1.00 0.00 C ATOM 1232 O LYS A 83 -13.541 -2.254 -4.949 1.00 0.00 O ATOM 1233 CB LYS A 83 -15.720 -0.581 -6.719 1.00 0.00 C ATOM 1234 CG LYS A 83 -16.637 -0.767 -7.952 1.00 0.00 C ATOM 1235 CD LYS A 83 -16.183 0.118 -9.119 1.00 0.00 C ATOM 1236 CE LYS A 83 -16.870 -0.378 -10.399 1.00 0.00 C ATOM 1237 NZ LYS A 83 -16.546 0.520 -11.541 1.00 0.00 N ATOM 0 H LYS A 83 -14.587 -3.288 -6.791 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.786 -0.596 -7.706 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -16.178 -1.047 -5.847 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -15.616 0.481 -6.495 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -16.629 -1.812 -8.260 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -17.665 -0.522 -7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -16.442 1.159 -8.928 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -15.099 0.074 -9.229 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -16.546 -1.394 -10.623 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -17.949 -0.413 -10.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -17.272 0.419 -12.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -16.523 1.506 -11.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.617 0.263 -11.932 1.00 0.00 H new ATOM 1251 N ALA A 84 -12.859 -0.127 -5.333 1.00 0.00 N ATOM 1252 CA ALA A 84 -12.079 -0.034 -4.094 1.00 0.00 C ATOM 1253 C ALA A 84 -12.197 1.358 -3.495 1.00 0.00 C ATOM 1254 O ALA A 84 -12.311 2.345 -4.225 1.00 0.00 O ATOM 1255 CB ALA A 84 -10.609 -0.361 -4.368 1.00 0.00 C ATOM 0 H ALA A 84 -12.843 0.717 -5.906 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.476 -0.757 -3.382 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.041 -0.288 -3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.529 -1.373 -4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -10.208 0.346 -5.095 1.00 0.00 H new ATOM 1261 N GLU A 85 -12.194 1.428 -2.160 1.00 0.00 N ATOM 1262 CA GLU A 85 -12.332 2.706 -1.457 1.00 0.00 C ATOM 1263 C GLU A 85 -11.682 2.628 -0.073 1.00 0.00 C ATOM 1264 O GLU A 85 -11.413 1.539 0.415 1.00 0.00 O ATOM 1265 CB GLU A 85 -13.827 3.081 -1.343 1.00 0.00 C ATOM 1266 CG GLU A 85 -14.588 1.998 -0.553 1.00 0.00 C ATOM 1267 CD GLU A 85 -16.064 2.353 -0.457 1.00 0.00 C ATOM 1268 OE1 GLU A 85 -16.368 3.370 0.146 1.00 0.00 O ATOM 1269 OE2 GLU A 85 -16.869 1.602 -0.982 1.00 0.00 O ATOM 0 H GLU A 85 -12.098 0.618 -1.547 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.820 3.483 -2.025 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -13.931 4.045 -0.845 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.260 3.188 -2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.471 1.031 -1.043 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.164 1.902 0.447 1.00 0.00 H new ATOM 1276 N VAL A 86 -11.431 3.790 0.547 1.00 0.00 N ATOM 1277 CA VAL A 86 -10.809 3.829 1.885 1.00 0.00 C ATOM 1278 C VAL A 86 -11.590 4.727 2.837 1.00 0.00 C ATOM 1279 O VAL A 86 -12.328 5.618 2.402 1.00 0.00 O ATOM 1280 CB VAL A 86 -9.345 4.306 1.800 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -8.531 3.319 0.956 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -9.274 5.709 1.163 1.00 0.00 C ATOM 0 H VAL A 86 -11.645 4.706 0.152 1.00 0.00 H new ATOM 0 HA VAL A 86 -10.827 2.812 2.278 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.932 4.354 2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.497 3.658 0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.564 2.332 1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.953 3.264 -0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.234 6.032 1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.695 5.674 0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -9.842 6.413 1.770 1.00 0.00 H new ATOM 1292 N ARG A 87 -11.411 4.489 4.142 1.00 0.00 N ATOM 1293 CA ARG A 87 -12.087 5.283 5.173 1.00 0.00 C ATOM 1294 C ARG A 87 -11.102 5.791 6.218 1.00 0.00 C ATOM 1295 O ARG A 87 -10.096 5.135 6.513 1.00 0.00 O ATOM 1296 CB ARG A 87 -13.188 4.456 5.856 1.00 0.00 C ATOM 1297 CG ARG A 87 -14.260 4.029 4.831 1.00 0.00 C ATOM 1298 CD ARG A 87 -15.091 5.244 4.378 1.00 0.00 C ATOM 1299 NE ARG A 87 -15.782 5.852 5.534 1.00 0.00 N ATOM 1300 CZ ARG A 87 -16.960 5.387 6.021 1.00 0.00 C ATOM 1301 NH1 ARG A 87 -17.563 4.349 5.477 1.00 0.00 N ATOM 1302 NH2 ARG A 87 -17.506 5.975 7.051 1.00 0.00 N ATOM 0 H ARG A 87 -10.805 3.755 4.508 1.00 0.00 H new ATOM 0 HA ARG A 87 -12.539 6.144 4.680 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.751 3.573 6.323 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.650 5.041 6.651 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.782 3.566 3.968 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.915 3.278 5.273 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.442 5.981 3.905 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -15.821 4.935 3.630 1.00 0.00 H new ATOM 0 HE ARG A 87 -15.353 6.659 5.987 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -17.145 3.879 4.674 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -18.448 4.016 5.859 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -17.047 6.777 7.483 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -18.391 5.632 7.424 1.00 0.00 H new ATOM 1316 N GLY A 88 -11.403 6.971 6.772 1.00 0.00 N ATOM 1317 CA GLY A 88 -10.549 7.596 7.791 1.00 0.00 C ATOM 1318 C GLY A 88 -9.474 8.512 7.167 1.00 0.00 C ATOM 1319 O GLY A 88 -8.781 9.239 7.887 1.00 0.00 O ATOM 0 H GLY A 88 -12.233 7.514 6.532 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.168 8.178 8.474 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.064 6.820 8.382 1.00 0.00 H new ATOM 1323 N ALA A 89 -9.344 8.466 5.832 1.00 0.00 N ATOM 1324 CA ALA A 89 -8.360 9.270 5.115 1.00 0.00 C ATOM 1325 C ALA A 89 -8.847 9.560 3.701 1.00 0.00 C ATOM 1326 O ALA A 89 -9.801 8.934 3.226 1.00 0.00 O ATOM 1327 CB ALA A 89 -7.011 8.536 5.070 1.00 0.00 C ATOM 0 H ALA A 89 -9.916 7.874 5.230 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.229 10.216 5.641 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.283 9.144 4.533 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.658 8.361 6.086 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.133 7.581 4.559 1.00 0.00 H new ATOM 1333 N GLU A 90 -8.179 10.501 3.029 1.00 0.00 N ATOM 1334 CA GLU A 90 -8.536 10.867 1.654 1.00 0.00 C ATOM 1335 C GLU A 90 -7.535 10.269 0.672 1.00 0.00 C ATOM 1336 O GLU A 90 -6.336 10.212 0.954 1.00 0.00 O ATOM 1337 CB GLU A 90 -8.592 12.401 1.494 1.00 0.00 C ATOM 1338 CG GLU A 90 -7.230 13.033 1.867 1.00 0.00 C ATOM 1339 CD GLU A 90 -7.270 14.567 1.723 1.00 0.00 C ATOM 1340 OE1 GLU A 90 -8.352 15.139 1.811 1.00 0.00 O ATOM 1341 OE2 GLU A 90 -6.215 15.146 1.528 1.00 0.00 O ATOM 0 H GLU A 90 -7.390 11.022 3.412 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.525 10.464 1.437 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.849 12.656 0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.377 12.811 2.130 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.972 12.768 2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.449 12.625 1.226 1.00 0.00 H new ATOM 1348 N ILE A 91 -8.046 9.787 -0.464 1.00 0.00 N ATOM 1349 CA ILE A 91 -7.206 9.136 -1.475 1.00 0.00 C ATOM 1350 C ILE A 91 -6.447 10.177 -2.291 1.00 0.00 C ATOM 1351 O ILE A 91 -7.052 11.030 -2.948 1.00 0.00 O ATOM 1352 CB ILE A 91 -8.080 8.244 -2.409 1.00 0.00 C ATOM 1353 CG1 ILE A 91 -8.801 7.179 -1.556 1.00 0.00 C ATOM 1354 CG2 ILE A 91 -7.181 7.532 -3.453 1.00 0.00 C ATOM 1355 CD1 ILE A 91 -9.897 6.481 -2.380 1.00 0.00 C ATOM 0 H ILE A 91 -9.035 9.835 -0.707 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.480 8.502 -0.967 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.808 8.869 -2.927 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.081 6.442 -1.199 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -9.242 7.647 -0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.799 6.911 -4.102 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -6.660 8.278 -4.053 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.452 6.906 -2.939 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.395 5.733 -1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -10.626 7.219 -2.715 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -9.447 5.996 -3.246 1.00 0.00 H new ATOM 1367 N GLU A 92 -5.117 10.062 -2.277 1.00 0.00 N ATOM 1368 CA GLU A 92 -4.261 10.953 -3.051 1.00 0.00 C ATOM 1369 C GLU A 92 -4.162 10.467 -4.492 1.00 0.00 C ATOM 1370 O GLU A 92 -4.171 11.272 -5.429 1.00 0.00 O ATOM 1371 CB GLU A 92 -2.859 11.018 -2.438 1.00 0.00 C ATOM 1372 CG GLU A 92 -2.927 11.599 -1.022 1.00 0.00 C ATOM 1373 CD GLU A 92 -1.525 11.678 -0.430 1.00 0.00 C ATOM 1374 OE1 GLU A 92 -0.867 10.652 -0.378 1.00 0.00 O ATOM 1375 OE2 GLU A 92 -1.126 12.763 -0.044 1.00 0.00 O ATOM 0 H GLU A 92 -4.613 9.359 -1.737 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.703 11.949 -3.035 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.420 10.021 -2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.210 11.634 -3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.378 12.591 -1.047 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.563 10.976 -0.393 1.00 0.00 H new ATOM 1382 N TYR A 93 -4.082 9.135 -4.662 1.00 0.00 N ATOM 1383 CA TYR A 93 -3.998 8.538 -5.989 1.00 0.00 C ATOM 1384 C TYR A 93 -4.343 7.052 -5.935 1.00 0.00 C ATOM 1385 O TYR A 93 -3.814 6.314 -5.098 1.00 0.00 O ATOM 1386 CB TYR A 93 -2.586 8.717 -6.554 1.00 0.00 C ATOM 1387 CG TYR A 93 -2.612 8.631 -8.068 1.00 0.00 C ATOM 1388 CD1 TYR A 93 -2.958 9.759 -8.820 1.00 0.00 C ATOM 1389 CD2 TYR A 93 -2.293 7.431 -8.713 1.00 0.00 C ATOM 1390 CE1 TYR A 93 -2.986 9.691 -10.217 1.00 0.00 C ATOM 1391 CE2 TYR A 93 -2.320 7.361 -10.114 1.00 0.00 C ATOM 1392 CZ TYR A 93 -2.667 8.493 -10.866 1.00 0.00 C ATOM 1393 OH TYR A 93 -2.694 8.426 -12.246 1.00 0.00 O ATOM 0 H TYR A 93 -4.074 8.462 -3.895 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.716 9.040 -6.637 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.182 9.681 -6.244 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.925 7.950 -6.150 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.204 10.685 -8.321 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.026 6.560 -8.133 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.254 10.563 -10.795 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.074 6.436 -10.613 1.00 0.00 H new ATOM 0 HH TYR A 93 -2.446 7.523 -12.535 1.00 0.00 H new ATOM 1403 N ALA A 94 -5.206 6.622 -6.852 1.00 0.00 N ATOM 1404 CA ALA A 94 -5.605 5.218 -6.946 1.00 0.00 C ATOM 1405 C ALA A 94 -5.464 4.730 -8.380 1.00 0.00 C ATOM 1406 O ALA A 94 -5.858 5.425 -9.323 1.00 0.00 O ATOM 1407 CB ALA A 94 -7.052 5.043 -6.480 1.00 0.00 C ATOM 0 H ALA A 94 -5.645 7.229 -7.545 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.953 4.628 -6.301 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.334 3.993 -6.556 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -7.143 5.369 -5.444 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.711 5.642 -7.108 1.00 0.00 H new ATOM 1413 N MET A 95 -4.886 3.541 -8.537 1.00 0.00 N ATOM 1414 CA MET A 95 -4.669 2.955 -9.856 1.00 0.00 C ATOM 1415 C MET A 95 -4.525 1.444 -9.756 1.00 0.00 C ATOM 1416 O MET A 95 -4.479 0.892 -8.652 1.00 0.00 O ATOM 1417 CB MET A 95 -3.423 3.581 -10.523 1.00 0.00 C ATOM 1418 CG MET A 95 -2.136 3.244 -9.731 1.00 0.00 C ATOM 1419 SD MET A 95 -1.259 1.888 -10.547 1.00 0.00 S ATOM 1420 CE MET A 95 -0.689 2.823 -11.989 1.00 0.00 C ATOM 0 H MET A 95 -4.559 2.963 -7.763 1.00 0.00 H new ATOM 0 HA MET A 95 -5.538 3.171 -10.478 1.00 0.00 H new ATOM 0 HB2 MET A 95 -3.331 3.214 -11.545 1.00 0.00 H new ATOM 0 HB3 MET A 95 -3.544 4.663 -10.583 1.00 0.00 H new ATOM 0 HG2 MET A 95 -1.493 4.122 -9.671 1.00 0.00 H new ATOM 0 HG3 MET A 95 -2.389 2.964 -8.708 1.00 0.00 H new ATOM 0 HE1 MET A 95 -1.172 2.437 -12.887 1.00 0.00 H new ATOM 0 HE2 MET A 95 -0.943 3.876 -11.864 1.00 0.00 H new ATOM 0 HE3 MET A 95 0.392 2.720 -12.086 1.00 0.00 H new ATOM 1430 N ALA A 96 -4.464 0.782 -10.911 1.00 0.00 N ATOM 1431 CA ALA A 96 -4.329 -0.667 -10.952 1.00 0.00 C ATOM 1432 C ALA A 96 -3.462 -1.100 -12.131 1.00 0.00 C ATOM 1433 O ALA A 96 -3.296 -0.347 -13.092 1.00 0.00 O ATOM 1434 CB ALA A 96 -5.706 -1.317 -11.050 1.00 0.00 C ATOM 0 H ALA A 96 -4.506 1.228 -11.827 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.843 -0.992 -10.032 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.595 -2.401 -11.080 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.303 -1.037 -10.182 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.205 -0.978 -11.958 1.00 0.00 H new ATOM 1440 N TYR A 97 -2.899 -2.315 -12.043 1.00 0.00 N ATOM 1441 CA TYR A 97 -2.038 -2.845 -13.118 1.00 0.00 C ATOM 1442 C TYR A 97 -2.660 -4.070 -13.785 1.00 0.00 C ATOM 1443 O TYR A 97 -2.673 -5.159 -13.204 1.00 0.00 O ATOM 1444 CB TYR A 97 -0.666 -3.220 -12.563 1.00 0.00 C ATOM 1445 CG TYR A 97 0.062 -1.983 -12.086 1.00 0.00 C ATOM 1446 CD1 TYR A 97 0.110 -1.677 -10.719 1.00 0.00 C ATOM 1447 CD2 TYR A 97 0.698 -1.146 -13.012 1.00 0.00 C ATOM 1448 CE1 TYR A 97 0.792 -0.536 -10.281 1.00 0.00 C ATOM 1449 CE2 TYR A 97 1.379 -0.005 -12.573 1.00 0.00 C ATOM 1450 CZ TYR A 97 1.427 0.300 -11.208 1.00 0.00 C ATOM 1451 OH TYR A 97 2.100 1.424 -10.775 1.00 0.00 O ATOM 0 H TYR A 97 -3.021 -2.944 -11.250 1.00 0.00 H new ATOM 0 HA TYR A 97 -1.933 -2.059 -13.866 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.779 -3.924 -11.739 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.079 -3.722 -13.333 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.379 -2.322 -10.004 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.663 -1.381 -14.065 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.829 -0.300 -9.228 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.868 0.640 -13.288 1.00 0.00 H new ATOM 0 HH TYR A 97 2.484 1.892 -11.545 1.00 0.00 H new ATOM 1461 N SER A 98 -3.136 -3.895 -15.028 1.00 0.00 N ATOM 1462 CA SER A 98 -3.716 -5.007 -15.798 1.00 0.00 C ATOM 1463 C SER A 98 -2.661 -6.064 -16.089 1.00 0.00 C ATOM 1464 O SER A 98 -2.929 -7.266 -16.010 1.00 0.00 O ATOM 1465 CB SER A 98 -4.279 -4.496 -17.124 1.00 0.00 C ATOM 1466 OG SER A 98 -5.370 -3.634 -16.872 1.00 0.00 O ATOM 0 H SER A 98 -3.131 -3.001 -15.519 1.00 0.00 H new ATOM 0 HA SER A 98 -4.516 -5.447 -15.202 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.505 -3.967 -17.680 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.600 -5.334 -17.742 1.00 0.00 H new ATOM 0 HG SER A 98 -5.829 -3.432 -17.714 1.00 0.00 H new ATOM 1472 N LYS A 99 -1.465 -5.595 -16.450 1.00 0.00 N ATOM 1473 CA LYS A 99 -0.354 -6.477 -16.789 1.00 0.00 C ATOM 1474 C LYS A 99 0.966 -5.863 -16.332 1.00 0.00 C ATOM 1475 O LYS A 99 1.217 -4.675 -16.557 1.00 0.00 O ATOM 1476 CB LYS A 99 -0.327 -6.724 -18.318 1.00 0.00 C ATOM 1477 CG LYS A 99 0.806 -7.708 -18.709 1.00 0.00 C ATOM 1478 CD LYS A 99 0.491 -9.120 -18.191 1.00 0.00 C ATOM 1479 CE LYS A 99 1.569 -10.095 -18.670 1.00 0.00 C ATOM 1480 NZ LYS A 99 1.258 -11.467 -18.176 1.00 0.00 N ATOM 0 H LYS A 99 -1.243 -4.601 -16.514 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.490 -7.430 -16.277 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.288 -7.125 -18.641 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.185 -5.777 -18.839 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.921 -7.728 -19.793 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.754 -7.365 -18.295 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.447 -9.117 -17.102 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.488 -9.440 -18.549 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.618 -10.092 -19.759 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.547 -9.779 -18.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.992 -12.128 -18.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.232 -11.464 -17.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 0.333 -11.767 -18.544 1.00 0.00 H new ATOM 1494 N ALA A 100 1.809 -6.691 -15.719 1.00 0.00 N ATOM 1495 CA ALA A 100 3.120 -6.251 -15.257 1.00 0.00 C ATOM 1496 C ALA A 100 4.109 -6.277 -16.409 1.00 0.00 C ATOM 1497 O ALA A 100 3.984 -7.104 -17.322 1.00 0.00 O ATOM 1498 CB ALA A 100 3.616 -7.155 -14.127 1.00 0.00 C ATOM 0 H ALA A 100 1.605 -7.673 -15.531 1.00 0.00 H new ATOM 0 HA ALA A 100 3.034 -5.232 -14.880 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.596 -6.815 -13.792 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.914 -7.115 -13.294 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.692 -8.181 -14.488 1.00 0.00 H new ATOM 1599 N ASP A 107 4.508 -2.439 -19.023 1.00 0.00 N ATOM 1600 CA ASP A 107 3.574 -2.360 -17.896 1.00 0.00 C ATOM 1601 C ASP A 107 2.314 -1.599 -18.313 1.00 0.00 C ATOM 1602 O ASP A 107 2.385 -0.414 -18.653 1.00 0.00 O ATOM 1603 CB ASP A 107 4.240 -1.656 -16.703 1.00 0.00 C ATOM 1604 CG ASP A 107 3.313 -1.633 -15.463 1.00 0.00 C ATOM 1605 OD1 ASP A 107 2.129 -1.928 -15.599 1.00 0.00 O ATOM 1606 OD2 ASP A 107 3.810 -1.319 -14.394 1.00 0.00 O ATOM 0 HA ASP A 107 3.297 -3.371 -17.598 1.00 0.00 H new ATOM 0 HB2 ASP A 107 5.171 -2.165 -16.453 1.00 0.00 H new ATOM 0 HB3 ASP A 107 4.501 -0.635 -16.982 1.00 0.00 H new ATOM 1611 N VAL A 108 1.169 -2.300 -18.327 1.00 0.00 N ATOM 1612 CA VAL A 108 -0.105 -1.686 -18.758 1.00 0.00 C ATOM 1613 C VAL A 108 -1.049 -1.422 -17.533 1.00 0.00 C ATOM 1614 O VAL A 108 -1.621 -2.371 -16.990 1.00 0.00 O ATOM 1615 CB VAL A 108 -0.815 -2.619 -19.783 1.00 0.00 C ATOM 1616 CG1 VAL A 108 -2.132 -1.985 -20.267 1.00 0.00 C ATOM 1617 CG2 VAL A 108 0.100 -2.846 -20.997 1.00 0.00 C ATOM 0 H VAL A 108 1.095 -3.279 -18.050 1.00 0.00 H new ATOM 0 HA VAL A 108 0.117 -0.727 -19.227 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.030 -3.568 -19.293 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.615 -2.651 -20.983 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.794 -1.826 -19.416 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.921 -1.029 -20.746 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.400 -3.499 -21.712 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.319 -1.889 -21.471 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.030 -3.311 -20.670 1.00 0.00 H new ATOM 1627 N PRO A 109 -1.261 -0.142 -17.118 1.00 0.00 N ATOM 1628 CA PRO A 109 -2.193 0.196 -15.991 1.00 0.00 C ATOM 1629 C PRO A 109 -3.655 0.320 -16.453 1.00 0.00 C ATOM 1630 O PRO A 109 -3.917 0.673 -17.607 1.00 0.00 O ATOM 1631 CB PRO A 109 -1.667 1.545 -15.521 1.00 0.00 C ATOM 1632 CG PRO A 109 -1.204 2.214 -16.772 1.00 0.00 C ATOM 1633 CD PRO A 109 -0.636 1.105 -17.666 1.00 0.00 C ATOM 0 HA PRO A 109 -2.210 -0.574 -15.220 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.445 2.125 -15.024 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -0.852 1.428 -14.807 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.028 2.728 -17.266 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -0.445 2.965 -16.554 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -0.899 1.259 -18.712 1.00 0.00 H new ATOM 0 HD3 PRO A 109 0.452 1.065 -17.613 1.00 0.00 H new ATOM 1641 N LEU A 110 -4.600 0.098 -15.520 1.00 0.00 N ATOM 1642 CA LEU A 110 -6.036 0.264 -15.817 1.00 0.00 C ATOM 1643 C LEU A 110 -6.413 1.739 -15.907 1.00 0.00 C ATOM 1644 O LEU A 110 -5.775 2.594 -15.285 1.00 0.00 O ATOM 1645 CB LEU A 110 -6.922 -0.434 -14.761 1.00 0.00 C ATOM 1646 CG LEU A 110 -6.934 -1.959 -14.984 1.00 0.00 C ATOM 1647 CD1 LEU A 110 -7.577 -2.651 -13.774 1.00 0.00 C ATOM 1648 CD2 LEU A 110 -7.759 -2.290 -16.248 1.00 0.00 C ATOM 0 H LEU A 110 -4.399 -0.194 -14.564 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.214 -0.208 -16.783 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.550 -0.210 -13.761 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -7.939 -0.045 -14.817 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.910 -2.311 -15.109 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.585 -3.729 -13.933 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.004 -2.421 -12.876 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.600 -2.295 -13.652 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.767 -3.369 -16.405 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -8.781 -1.934 -16.119 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.311 -1.801 -17.113 1.00 0.00 H new ATOM 1660 N LYS A 111 -7.454 2.026 -16.696 1.00 0.00 N ATOM 1661 CA LYS A 111 -7.932 3.386 -16.893 1.00 0.00 C ATOM 1662 C LYS A 111 -8.470 3.959 -15.587 1.00 0.00 C ATOM 1663 O LYS A 111 -9.253 3.309 -14.887 1.00 0.00 O ATOM 1664 CB LYS A 111 -9.027 3.392 -17.971 1.00 0.00 C ATOM 1665 CG LYS A 111 -9.358 4.826 -18.386 1.00 0.00 C ATOM 1666 CD LYS A 111 -10.253 4.789 -19.633 1.00 0.00 C ATOM 1667 CE LYS A 111 -10.439 6.204 -20.191 1.00 0.00 C ATOM 1668 NZ LYS A 111 -11.263 6.138 -21.434 1.00 0.00 N ATOM 0 H LYS A 111 -7.982 1.321 -17.211 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.101 4.011 -17.221 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -8.695 2.823 -18.839 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.923 2.900 -17.591 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -9.865 5.346 -17.573 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.442 5.379 -18.596 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.806 4.147 -20.392 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -11.222 4.359 -19.382 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -10.926 6.838 -19.451 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -9.469 6.653 -20.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -11.392 7.097 -21.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -10.780 5.546 -22.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -12.192 5.726 -21.213 1.00 0.00 H new ATOM 1682 N THR A 112 -8.053 5.186 -15.278 1.00 0.00 N ATOM 1683 CA THR A 112 -8.493 5.877 -14.064 1.00 0.00 C ATOM 1684 C THR A 112 -10.021 6.053 -14.084 1.00 0.00 C ATOM 1685 O THR A 112 -10.684 5.926 -13.053 1.00 0.00 O ATOM 1686 CB THR A 112 -7.781 7.246 -13.955 1.00 0.00 C ATOM 1687 OG1 THR A 112 -6.375 7.034 -13.920 1.00 0.00 O ATOM 1688 CG2 THR A 112 -8.205 7.973 -12.670 1.00 0.00 C ATOM 0 H THR A 112 -7.407 5.726 -15.854 1.00 0.00 H new ATOM 0 HA THR A 112 -8.230 5.280 -13.191 1.00 0.00 H new ATOM 0 HB THR A 112 -8.055 7.856 -14.815 1.00 0.00 H new ATOM 0 HG1 THR A 112 -5.916 7.897 -13.853 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.694 8.934 -12.610 1.00 0.00 H new ATOM 0 HG22 THR A 112 -9.283 8.135 -12.682 1.00 0.00 H new ATOM 0 HG23 THR A 112 -7.939 7.366 -11.804 1.00 0.00 H new ATOM 1696 N GLU A 113 -10.557 6.343 -15.269 1.00 0.00 N ATOM 1697 CA GLU A 113 -12.005 6.543 -15.457 1.00 0.00 C ATOM 1698 C GLU A 113 -12.809 5.231 -15.378 1.00 0.00 C ATOM 1699 O GLU A 113 -14.016 5.238 -15.607 1.00 0.00 O ATOM 1700 CB GLU A 113 -12.275 7.210 -16.793 1.00 0.00 C ATOM 1701 CG GLU A 113 -11.788 8.667 -16.753 1.00 0.00 C ATOM 1702 CD GLU A 113 -12.036 9.389 -18.100 1.00 0.00 C ATOM 1703 OE1 GLU A 113 -12.476 8.743 -19.050 1.00 0.00 O ATOM 1704 OE2 GLU A 113 -11.777 10.580 -18.157 1.00 0.00 O ATOM 0 H GLU A 113 -10.010 6.447 -16.124 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.335 7.182 -14.638 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.766 6.668 -17.590 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -13.341 7.179 -17.017 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.302 9.201 -15.954 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.724 8.689 -16.518 1.00 0.00 H new ATOM 1711 N GLU A 114 -12.137 4.123 -15.064 1.00 0.00 N ATOM 1712 CA GLU A 114 -12.795 2.816 -14.956 1.00 0.00 C ATOM 1713 C GLU A 114 -13.840 2.832 -13.824 1.00 0.00 C ATOM 1714 O GLU A 114 -14.894 2.197 -13.932 1.00 0.00 O ATOM 1715 CB GLU A 114 -11.742 1.718 -14.693 1.00 0.00 C ATOM 1716 CG GLU A 114 -12.413 0.322 -14.683 1.00 0.00 C ATOM 1717 CD GLU A 114 -11.379 -0.808 -14.464 1.00 0.00 C ATOM 1718 OE1 GLU A 114 -10.195 -0.515 -14.325 1.00 0.00 O ATOM 1719 OE2 GLU A 114 -11.795 -1.955 -14.436 1.00 0.00 O ATOM 0 H GLU A 114 -11.134 4.103 -14.879 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.306 2.602 -15.895 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -10.970 1.753 -15.462 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -11.249 1.899 -13.738 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -13.165 0.285 -13.895 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -12.933 0.161 -15.627 1.00 0.00 H new ATOM 1726 N PHE A 115 -13.524 3.547 -12.740 1.00 0.00 N ATOM 1727 CA PHE A 115 -14.423 3.644 -11.576 1.00 0.00 C ATOM 1728 C PHE A 115 -14.244 4.974 -10.836 1.00 0.00 C ATOM 1729 O PHE A 115 -13.259 5.687 -11.053 1.00 0.00 O ATOM 1730 CB PHE A 115 -14.212 2.453 -10.614 1.00 0.00 C ATOM 1731 CG PHE A 115 -12.786 2.453 -10.084 1.00 0.00 C ATOM 1732 CD1 PHE A 115 -12.484 3.127 -8.899 1.00 0.00 C ATOM 1733 CD2 PHE A 115 -11.777 1.781 -10.787 1.00 0.00 C ATOM 1734 CE1 PHE A 115 -11.171 3.131 -8.411 1.00 0.00 C ATOM 1735 CE2 PHE A 115 -10.465 1.784 -10.298 1.00 0.00 C ATOM 1736 CZ PHE A 115 -10.162 2.460 -9.110 1.00 0.00 C ATOM 0 H PHE A 115 -12.653 4.069 -12.640 1.00 0.00 H new ATOM 0 HA PHE A 115 -15.446 3.607 -11.950 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -14.916 2.517 -9.784 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -14.415 1.516 -11.133 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -13.263 3.645 -8.359 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -12.011 1.262 -11.705 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -10.937 3.652 -7.495 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -9.687 1.265 -10.837 1.00 0.00 H new ATOM 0 HZ PHE A 115 -9.150 2.463 -8.733 1.00 0.00 H new ATOM 1746 N GLU A 116 -15.224 5.308 -9.991 1.00 0.00 N ATOM 1747 CA GLU A 116 -15.211 6.564 -9.239 1.00 0.00 C ATOM 1748 C GLU A 116 -15.182 6.304 -7.725 1.00 0.00 C ATOM 1749 O GLU A 116 -16.013 5.560 -7.196 1.00 0.00 O ATOM 1750 CB GLU A 116 -16.455 7.395 -9.612 1.00 0.00 C ATOM 1751 CG GLU A 116 -16.467 8.744 -8.850 1.00 0.00 C ATOM 1752 CD GLU A 116 -15.250 9.617 -9.231 1.00 0.00 C ATOM 1753 OE1 GLU A 116 -14.662 9.385 -10.282 1.00 0.00 O ATOM 1754 OE2 GLU A 116 -14.930 10.505 -8.459 1.00 0.00 O ATOM 0 H GLU A 116 -16.039 4.722 -9.811 1.00 0.00 H new ATOM 0 HA GLU A 116 -14.308 7.117 -9.499 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -16.466 7.579 -10.686 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -17.358 6.832 -9.376 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -17.388 9.282 -9.075 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -16.461 8.557 -7.776 1.00 0.00 H new ATOM 1761 N VAL A 117 -14.251 6.972 -7.041 1.00 0.00 N ATOM 1762 CA VAL A 117 -14.136 6.879 -5.583 1.00 0.00 C ATOM 1763 C VAL A 117 -14.090 8.273 -4.963 1.00 0.00 C ATOM 1764 O VAL A 117 -13.536 9.206 -5.556 1.00 0.00 O ATOM 1765 CB VAL A 117 -12.879 6.077 -5.180 1.00 0.00 C ATOM 1766 CG1 VAL A 117 -12.996 4.648 -5.705 1.00 0.00 C ATOM 1767 CG2 VAL A 117 -11.612 6.734 -5.768 1.00 0.00 C ATOM 0 H VAL A 117 -13.562 7.586 -7.475 1.00 0.00 H new ATOM 0 HA VAL A 117 -15.014 6.354 -5.207 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.802 6.067 -4.093 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -12.109 4.082 -5.421 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -13.880 4.175 -5.278 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -13.082 4.665 -6.791 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -10.734 6.158 -5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.685 6.757 -6.855 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -11.521 7.752 -5.389 1.00 0.00 H new ATOM 1777 N THR A 118 -14.663 8.399 -3.769 1.00 0.00 N ATOM 1778 CA THR A 118 -14.684 9.670 -3.051 1.00 0.00 C ATOM 1779 C THR A 118 -14.495 9.436 -1.560 1.00 0.00 C ATOM 1780 O THR A 118 -14.788 8.346 -1.053 1.00 0.00 O ATOM 1781 CB THR A 118 -16.005 10.404 -3.311 1.00 0.00 C ATOM 1782 OG1 THR A 118 -16.266 10.419 -4.708 1.00 0.00 O ATOM 1783 CG2 THR A 118 -15.907 11.846 -2.804 1.00 0.00 C ATOM 0 H THR A 118 -15.121 7.632 -3.276 1.00 0.00 H new ATOM 0 HA THR A 118 -13.863 10.290 -3.413 1.00 0.00 H new ATOM 0 HB THR A 118 -16.811 9.890 -2.787 1.00 0.00 H new ATOM 0 HG1 THR A 118 -17.111 10.886 -4.878 1.00 0.00 H new ATOM 0 HG21 THR A 118 -16.848 12.362 -2.992 1.00 0.00 H new ATOM 0 HG22 THR A 118 -15.702 11.842 -1.733 1.00 0.00 H new ATOM 0 HG23 THR A 118 -15.100 12.361 -3.326 1.00 0.00 H new ATOM 1791 N LYS A 119 -14.023 10.467 -0.856 1.00 0.00 N ATOM 1792 CA LYS A 119 -13.815 10.383 0.591 1.00 0.00 C ATOM 1793 C LYS A 119 -15.123 10.050 1.334 1.00 0.00 C ATOM 1794 O LYS A 119 -15.091 9.567 2.471 1.00 0.00 O ATOM 1795 CB LYS A 119 -13.210 11.698 1.117 1.00 0.00 C ATOM 1796 CG LYS A 119 -14.184 12.868 0.892 1.00 0.00 C ATOM 1797 CD LYS A 119 -13.550 14.163 1.406 1.00 0.00 C ATOM 1798 CE LYS A 119 -14.511 15.331 1.176 1.00 0.00 C ATOM 1799 NZ LYS A 119 -13.893 16.589 1.685 1.00 0.00 N ATOM 0 H LYS A 119 -13.778 11.369 -1.264 1.00 0.00 H new ATOM 0 HA LYS A 119 -13.115 9.570 0.783 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.986 11.603 2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -12.267 11.900 0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.419 12.961 -0.168 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.123 12.679 1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -13.321 14.071 2.468 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -12.607 14.348 0.891 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -14.736 15.427 0.114 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -15.456 15.145 1.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -14.545 17.384 1.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -13.700 16.494 2.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -13.002 16.768 1.179 1.00 0.00 H new ATOM 1813 N THR A 120 -16.265 10.326 0.685 1.00 0.00 N ATOM 1814 CA THR A 120 -17.572 10.074 1.286 1.00 0.00 C ATOM 1815 C THR A 120 -18.611 9.597 0.244 1.00 0.00 C ATOM 1816 O THR A 120 -19.819 9.681 0.487 1.00 0.00 O ATOM 1817 CB THR A 120 -18.065 11.342 2.008 1.00 0.00 C ATOM 1818 OG1 THR A 120 -19.301 11.074 2.653 1.00 0.00 O ATOM 1819 CG2 THR A 120 -18.241 12.498 1.007 1.00 0.00 C ATOM 0 H THR A 120 -16.304 10.723 -0.254 1.00 0.00 H new ATOM 0 HA THR A 120 -17.458 9.267 2.010 1.00 0.00 H new ATOM 0 HB THR A 120 -17.322 11.634 2.751 1.00 0.00 H new ATOM 0 HG1 THR A 120 -19.890 10.584 2.042 1.00 0.00 H new ATOM 0 HG21 THR A 120 -18.590 13.386 1.534 1.00 0.00 H new ATOM 0 HG22 THR A 120 -17.286 12.713 0.527 1.00 0.00 H new ATOM 0 HG23 THR A 120 -18.972 12.215 0.250 1.00 0.00 H new ATOM 1827 N ALA A 121 -18.129 9.092 -0.909 1.00 0.00 N ATOM 1828 CA ALA A 121 -19.018 8.600 -1.971 1.00 0.00 C ATOM 1829 C ALA A 121 -18.344 7.507 -2.797 1.00 0.00 C ATOM 1830 O ALA A 121 -17.126 7.498 -2.959 1.00 0.00 O ATOM 1831 CB ALA A 121 -19.446 9.754 -2.881 1.00 0.00 C ATOM 0 H ALA A 121 -17.135 9.016 -1.124 1.00 0.00 H new ATOM 0 HA ALA A 121 -19.900 8.171 -1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -20.104 9.376 -3.663 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -19.975 10.504 -2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -18.564 10.205 -3.336 1.00 0.00 H new ATOM 1837 N VAL A 122 -19.160 6.583 -3.304 1.00 0.00 N ATOM 1838 CA VAL A 122 -18.675 5.460 -4.115 1.00 0.00 C ATOM 1839 C VAL A 122 -19.514 5.345 -5.390 1.00 0.00 C ATOM 1840 O VAL A 122 -20.751 5.337 -5.319 1.00 0.00 O ATOM 1841 CB VAL A 122 -18.761 4.143 -3.298 1.00 0.00 C ATOM 1842 CG1 VAL A 122 -18.244 2.957 -4.127 1.00 0.00 C ATOM 1843 CG2 VAL A 122 -17.916 4.272 -2.030 1.00 0.00 C ATOM 0 H VAL A 122 -20.171 6.589 -3.167 1.00 0.00 H new ATOM 0 HA VAL A 122 -17.635 5.636 -4.389 1.00 0.00 H new ATOM 0 HB VAL A 122 -19.804 3.965 -3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -18.313 2.043 -3.537 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -18.848 2.853 -5.029 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -17.205 3.133 -4.404 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -17.977 3.347 -1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -16.878 4.463 -2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -18.290 5.099 -1.426 1.00 0.00 H new ATOM 1853 N ALA A 123 -18.844 5.244 -6.549 1.00 0.00 N ATOM 1854 CA ALA A 123 -19.555 5.121 -7.815 1.00 0.00 C ATOM 1855 C ALA A 123 -18.756 4.321 -8.843 1.00 0.00 C ATOM 1856 O ALA A 123 -17.528 4.232 -8.763 1.00 0.00 O ATOM 1857 CB ALA A 123 -19.895 6.504 -8.372 1.00 0.00 C ATOM 0 H ALA A 123 -17.827 5.246 -6.628 1.00 0.00 H new ATOM 0 HA ALA A 123 -20.478 4.576 -7.618 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -20.426 6.395 -9.318 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -20.526 7.037 -7.661 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -18.976 7.067 -8.535 1.00 0.00 H new ATOM 1863 N HIS A 124 -19.475 3.758 -9.816 1.00 0.00 N ATOM 1864 CA HIS A 124 -18.876 2.979 -10.891 1.00 0.00 C ATOM 1865 C HIS A 124 -19.068 3.707 -12.224 1.00 0.00 C ATOM 1866 O HIS A 124 -20.150 4.241 -12.495 1.00 0.00 O ATOM 1867 CB HIS A 124 -19.509 1.564 -10.938 1.00 0.00 C ATOM 1868 CG HIS A 124 -20.999 1.647 -11.207 1.00 0.00 C ATOM 1869 ND1 HIS A 124 -21.908 2.022 -10.230 1.00 0.00 N ATOM 1870 CD2 HIS A 124 -21.741 1.398 -12.333 1.00 0.00 C ATOM 1871 CE1 HIS A 124 -23.134 1.988 -10.783 1.00 0.00 C ATOM 1872 NE2 HIS A 124 -23.088 1.613 -12.065 1.00 0.00 N ATOM 0 H HIS A 124 -20.490 3.832 -9.877 1.00 0.00 H new ATOM 0 HA HIS A 124 -17.807 2.868 -10.707 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -19.027 0.971 -11.716 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -19.334 1.051 -9.992 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -21.339 1.082 -13.285 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -24.044 2.234 -10.256 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -23.872 1.507 -12.708 1.00 0.00 H new ATOM 1880 N ARG A 125 -18.005 3.761 -13.023 1.00 0.00 N ATOM 1881 CA ARG A 125 -18.039 4.470 -14.299 1.00 0.00 C ATOM 1882 C ARG A 125 -18.594 3.583 -15.442 1.00 0.00 C ATOM 1883 O ARG A 125 -18.329 2.378 -15.462 1.00 0.00 O ATOM 1884 CB ARG A 125 -16.634 4.958 -14.654 1.00 0.00 C ATOM 1885 CG ARG A 125 -16.169 6.023 -13.641 1.00 0.00 C ATOM 1886 CD ARG A 125 -16.903 7.351 -13.900 1.00 0.00 C ATOM 1887 NE ARG A 125 -16.372 8.416 -13.027 1.00 0.00 N ATOM 1888 CZ ARG A 125 -16.857 9.689 -13.029 1.00 0.00 C ATOM 1889 NH1 ARG A 125 -17.849 10.043 -13.822 1.00 0.00 N ATOM 1890 NH2 ARG A 125 -16.326 10.580 -12.234 1.00 0.00 N ATOM 0 H ARG A 125 -17.109 3.322 -12.809 1.00 0.00 H new ATOM 0 HA ARG A 125 -18.711 5.321 -14.189 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -15.939 4.118 -14.655 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -16.630 5.376 -15.660 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -16.366 5.681 -12.625 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -15.092 6.171 -13.724 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -16.788 7.639 -14.945 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -17.971 7.224 -13.720 1.00 0.00 H new ATOM 0 HE ARG A 125 -15.606 8.188 -12.393 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -18.269 9.358 -14.450 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -18.197 11.002 -13.807 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -15.555 10.320 -11.619 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -16.683 11.536 -12.229 1.00 0.00 H new ATOM 1904 N PRO A 126 -19.324 4.165 -16.432 1.00 0.00 N ATOM 1905 CA PRO A 126 -19.848 3.384 -17.603 1.00 0.00 C ATOM 1906 C PRO A 126 -18.714 2.745 -18.391 1.00 0.00 C ATOM 1907 O PRO A 126 -17.619 3.313 -18.485 1.00 0.00 O ATOM 1908 CB PRO A 126 -20.567 4.441 -18.461 1.00 0.00 C ATOM 1909 CG PRO A 126 -20.886 5.546 -17.518 1.00 0.00 C ATOM 1910 CD PRO A 126 -19.728 5.598 -16.537 1.00 0.00 C ATOM 0 HA PRO A 126 -20.500 2.566 -17.296 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -19.931 4.788 -19.276 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -21.471 4.034 -18.914 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -20.994 6.493 -18.047 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -21.828 5.360 -17.002 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -18.914 6.223 -16.904 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -20.032 6.005 -15.573 1.00 0.00 H new ATOM 1918 N GLY A 127 -18.979 1.565 -18.955 1.00 0.00 N ATOM 1919 CA GLY A 127 -17.970 0.849 -19.740 1.00 0.00 C ATOM 1920 C GLY A 127 -16.941 0.132 -18.846 1.00 0.00 C ATOM 1921 O GLY A 127 -15.881 -0.282 -19.328 1.00 0.00 O ATOM 0 H GLY A 127 -19.877 1.087 -18.884 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -18.462 0.119 -20.382 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -17.454 1.552 -20.394 1.00 0.00 H new ATOM 1925 N ALA A 128 -17.259 -0.006 -17.544 1.00 0.00 N ATOM 1926 CA ALA A 128 -16.360 -0.661 -16.598 1.00 0.00 C ATOM 1927 C ALA A 128 -16.007 -2.062 -17.081 1.00 0.00 C ATOM 1928 O ALA A 128 -16.813 -2.722 -17.744 1.00 0.00 O ATOM 1929 CB ALA A 128 -17.006 -0.734 -15.214 1.00 0.00 C ATOM 0 H ALA A 128 -18.130 0.329 -17.133 1.00 0.00 H new ATOM 0 HA ALA A 128 -15.445 -0.072 -16.530 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -16.324 -1.225 -14.520 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -17.222 0.274 -14.859 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -17.934 -1.303 -15.275 1.00 0.00 H new ATOM 1935 N PHE A 129 -14.780 -2.485 -16.781 1.00 0.00 N ATOM 1936 CA PHE A 129 -14.278 -3.787 -17.218 1.00 0.00 C ATOM 1937 C PHE A 129 -14.949 -4.927 -16.461 1.00 0.00 C ATOM 1938 O PHE A 129 -15.284 -4.793 -15.281 1.00 0.00 O ATOM 1939 CB PHE A 129 -12.763 -3.859 -17.023 1.00 0.00 C ATOM 1940 CG PHE A 129 -12.078 -2.940 -18.011 1.00 0.00 C ATOM 1941 CD1 PHE A 129 -11.818 -1.610 -17.664 1.00 0.00 C ATOM 1942 CD2 PHE A 129 -11.705 -3.421 -19.271 1.00 0.00 C ATOM 1943 CE1 PHE A 129 -11.184 -0.759 -18.579 1.00 0.00 C ATOM 1944 CE2 PHE A 129 -11.072 -2.572 -20.185 1.00 0.00 C ATOM 1945 CZ PHE A 129 -10.811 -1.240 -19.839 1.00 0.00 C ATOM 0 H PHE A 129 -14.112 -1.942 -16.234 1.00 0.00 H new ATOM 0 HA PHE A 129 -14.515 -3.896 -18.276 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -12.504 -3.572 -16.004 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -12.417 -4.883 -17.163 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -12.106 -1.239 -16.691 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -11.906 -4.448 -19.538 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -10.983 0.268 -18.312 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -10.785 -2.944 -21.157 1.00 0.00 H new ATOM 0 HZ PHE A 129 -10.322 -0.584 -20.544 1.00 0.00 H new ATOM 1955 N LYS A 130 -15.143 -6.051 -17.161 1.00 0.00 N ATOM 1956 CA LYS A 130 -15.778 -7.239 -16.572 1.00 0.00 C ATOM 1957 C LYS A 130 -14.908 -8.482 -16.779 1.00 0.00 C ATOM 1958 O LYS A 130 -14.554 -9.167 -15.816 1.00 0.00 O ATOM 1959 CB LYS A 130 -17.204 -7.468 -17.167 1.00 0.00 C ATOM 1960 CG LYS A 130 -17.208 -7.361 -18.733 1.00 0.00 C ATOM 1961 CD LYS A 130 -18.408 -6.509 -19.215 1.00 0.00 C ATOM 1962 CE LYS A 130 -19.713 -7.326 -19.159 1.00 0.00 C ATOM 1963 NZ LYS A 130 -19.924 -8.017 -20.464 1.00 0.00 N ATOM 0 H LYS A 130 -14.869 -6.164 -18.137 1.00 0.00 H new ATOM 0 HA LYS A 130 -15.880 -7.063 -15.501 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -17.568 -8.451 -16.869 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -17.893 -6.733 -16.751 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -16.275 -6.913 -19.075 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -17.262 -8.357 -19.171 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -18.503 -5.620 -18.592 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -18.231 -6.166 -20.234 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -19.662 -8.057 -18.352 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -20.556 -6.670 -18.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -20.938 -8.023 -20.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -19.403 -7.515 -21.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -19.578 -8.996 -20.398 1.00 0.00 H new ATOM 1977 N ALA A 131 -14.558 -8.754 -18.040 1.00 0.00 N ATOM 1978 CA ALA A 131 -13.711 -9.910 -18.385 1.00 0.00 C ATOM 1979 C ALA A 131 -12.228 -9.671 -18.031 1.00 0.00 C ATOM 1980 O ALA A 131 -11.438 -10.618 -17.986 1.00 0.00 O ATOM 1981 CB ALA A 131 -13.838 -10.222 -19.878 1.00 0.00 C ATOM 0 H ALA A 131 -14.846 -8.192 -18.841 1.00 0.00 H new ATOM 0 HA ALA A 131 -14.061 -10.757 -17.795 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -13.209 -11.077 -20.126 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -14.876 -10.454 -20.114 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -13.519 -9.357 -20.459 1.00 0.00 H new ATOM 1987 N GLU A 132 -11.855 -8.397 -17.825 1.00 0.00 N ATOM 1988 CA GLU A 132 -10.467 -8.029 -17.528 1.00 0.00 C ATOM 1989 C GLU A 132 -10.116 -8.320 -16.066 1.00 0.00 C ATOM 1990 O GLU A 132 -10.896 -8.020 -15.158 1.00 0.00 O ATOM 1991 CB GLU A 132 -10.252 -6.539 -17.831 1.00 0.00 C ATOM 1992 CG GLU A 132 -8.746 -6.221 -17.950 1.00 0.00 C ATOM 1993 CD GLU A 132 -8.110 -5.988 -16.568 1.00 0.00 C ATOM 1994 OE1 GLU A 132 -8.827 -5.617 -15.644 1.00 0.00 O ATOM 1995 OE2 GLU A 132 -6.911 -6.170 -16.462 1.00 0.00 O ATOM 0 H GLU A 132 -12.499 -7.606 -17.859 1.00 0.00 H new ATOM 0 HA GLU A 132 -9.811 -8.630 -18.158 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -10.760 -6.274 -18.758 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -10.696 -5.934 -17.041 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -8.237 -7.044 -18.452 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.608 -5.335 -18.570 1.00 0.00 H new ATOM 2002 N LEU A 133 -8.924 -8.888 -15.854 1.00 0.00 N ATOM 2003 CA LEU A 133 -8.432 -9.210 -14.505 1.00 0.00 C ATOM 2004 C LEU A 133 -7.194 -8.374 -14.192 1.00 0.00 C ATOM 2005 O LEU A 133 -6.351 -8.161 -15.070 1.00 0.00 O ATOM 2006 CB LEU A 133 -8.096 -10.719 -14.386 1.00 0.00 C ATOM 2007 CG LEU A 133 -7.098 -11.158 -15.516 1.00 0.00 C ATOM 2008 CD1 LEU A 133 -6.163 -12.256 -15.000 1.00 0.00 C ATOM 2009 CD2 LEU A 133 -7.875 -11.698 -16.730 1.00 0.00 C ATOM 0 H LEU A 133 -8.277 -9.136 -16.602 1.00 0.00 H new ATOM 0 HA LEU A 133 -9.217 -8.976 -13.786 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -7.659 -10.923 -13.409 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -9.011 -11.307 -14.454 1.00 0.00 H new ATOM 0 HG LEU A 133 -6.513 -10.287 -15.812 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -5.476 -12.551 -15.793 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -5.595 -11.880 -14.149 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -6.752 -13.119 -14.690 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -7.172 -11.999 -17.507 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -8.472 -12.558 -16.427 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -8.532 -10.919 -17.117 1.00 0.00 H new ATOM 2021 N SER A 134 -7.114 -7.843 -12.956 1.00 0.00 N ATOM 2022 CA SER A 134 -6.007 -6.962 -12.589 1.00 0.00 C ATOM 2023 C SER A 134 -5.835 -6.831 -11.073 1.00 0.00 C ATOM 2024 O SER A 134 -6.638 -7.347 -10.293 1.00 0.00 O ATOM 2025 CB SER A 134 -6.244 -5.580 -13.201 1.00 0.00 C ATOM 2026 OG SER A 134 -5.142 -4.736 -12.915 1.00 0.00 O ATOM 0 H SER A 134 -7.793 -8.009 -12.213 1.00 0.00 H new ATOM 0 HA SER A 134 -5.090 -7.405 -12.978 1.00 0.00 H new ATOM 0 HB2 SER A 134 -6.378 -5.667 -14.279 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.160 -5.146 -12.800 1.00 0.00 H new ATOM 0 HG SER A 134 -4.310 -5.249 -12.987 1.00 0.00 H new ATOM 2032 N LYS A 135 -4.793 -6.085 -10.681 1.00 0.00 N ATOM 2033 CA LYS A 135 -4.501 -5.808 -9.269 1.00 0.00 C ATOM 2034 C LYS A 135 -4.654 -4.320 -9.001 1.00 0.00 C ATOM 2035 O LYS A 135 -4.368 -3.501 -9.872 1.00 0.00 O ATOM 2036 CB LYS A 135 -3.066 -6.236 -8.898 1.00 0.00 C ATOM 2037 CG LYS A 135 -2.041 -5.632 -9.884 1.00 0.00 C ATOM 2038 CD LYS A 135 -0.620 -6.057 -9.484 1.00 0.00 C ATOM 2039 CE LYS A 135 -0.386 -7.522 -9.875 1.00 0.00 C ATOM 2040 NZ LYS A 135 1.003 -7.917 -9.505 1.00 0.00 N ATOM 0 H LYS A 135 -4.132 -5.659 -11.331 1.00 0.00 H new ATOM 0 HA LYS A 135 -5.203 -6.379 -8.662 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -2.836 -5.912 -7.883 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -2.991 -7.323 -8.910 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -2.258 -5.966 -10.898 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -2.119 -4.545 -9.883 1.00 0.00 H new ATOM 0 HD2 LYS A 135 0.113 -5.418 -9.977 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -0.482 -5.931 -8.410 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -1.106 -8.165 -9.368 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -0.540 -7.653 -10.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 1.164 -8.910 -9.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 1.682 -7.311 -10.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 1.134 -7.806 -8.479 1.00 0.00 H new ATOM 2054 N LEU A 136 -5.127 -3.978 -7.799 1.00 0.00 N ATOM 2055 CA LEU A 136 -5.364 -2.575 -7.434 1.00 0.00 C ATOM 2056 C LEU A 136 -4.404 -2.087 -6.354 1.00 0.00 C ATOM 2057 O LEU A 136 -4.023 -2.838 -5.453 1.00 0.00 O ATOM 2058 CB LEU A 136 -6.811 -2.374 -6.950 1.00 0.00 C ATOM 2059 CG LEU A 136 -7.832 -2.795 -8.055 1.00 0.00 C ATOM 2060 CD1 LEU A 136 -8.233 -4.272 -7.886 1.00 0.00 C ATOM 2061 CD2 LEU A 136 -9.097 -1.916 -7.953 1.00 0.00 C ATOM 0 H LEU A 136 -5.353 -4.648 -7.064 1.00 0.00 H new ATOM 0 HA LEU A 136 -5.190 -1.987 -8.335 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -6.982 -2.962 -6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -6.968 -1.329 -6.684 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.362 -2.662 -9.029 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -8.945 -4.547 -8.664 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -7.346 -4.901 -7.966 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -8.692 -4.415 -6.908 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -9.808 -2.211 -8.725 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -9.552 -2.046 -6.971 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.825 -0.870 -8.091 1.00 0.00 H new ATOM 2073 N VAL A 137 -4.074 -0.792 -6.429 1.00 0.00 N ATOM 2074 CA VAL A 137 -3.225 -0.141 -5.438 1.00 0.00 C ATOM 2075 C VAL A 137 -3.789 1.255 -5.126 1.00 0.00 C ATOM 2076 O VAL A 137 -4.034 2.053 -6.036 1.00 0.00 O ATOM 2077 CB VAL A 137 -1.761 -0.063 -5.950 1.00 0.00 C ATOM 2078 CG1 VAL A 137 -1.682 0.771 -7.235 1.00 0.00 C ATOM 2079 CG2 VAL A 137 -0.859 0.565 -4.874 1.00 0.00 C ATOM 0 H VAL A 137 -4.389 -0.173 -7.176 1.00 0.00 H new ATOM 0 HA VAL A 137 -3.218 -0.725 -4.518 1.00 0.00 H new ATOM 0 HB VAL A 137 -1.419 -1.075 -6.165 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.648 0.814 -7.578 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -2.301 0.312 -8.006 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -2.040 1.781 -7.036 1.00 0.00 H new ATOM 0 HG21 VAL A 137 0.166 0.615 -5.242 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -1.212 1.570 -4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -0.890 -0.045 -3.971 1.00 0.00 H new ATOM 2089 N ILE A 138 -4.037 1.509 -3.842 1.00 0.00 N ATOM 2090 CA ILE A 138 -4.629 2.773 -3.397 1.00 0.00 C ATOM 2091 C ILE A 138 -3.725 3.460 -2.364 1.00 0.00 C ATOM 2092 O ILE A 138 -3.358 2.857 -1.351 1.00 0.00 O ATOM 2093 CB ILE A 138 -6.040 2.519 -2.780 1.00 0.00 C ATOM 2094 CG1 ILE A 138 -6.955 1.777 -3.801 1.00 0.00 C ATOM 2095 CG2 ILE A 138 -6.697 3.864 -2.399 1.00 0.00 C ATOM 2096 CD1 ILE A 138 -6.704 0.258 -3.747 1.00 0.00 C ATOM 0 H ILE A 138 -3.836 0.853 -3.087 1.00 0.00 H new ATOM 0 HA ILE A 138 -4.730 3.428 -4.263 1.00 0.00 H new ATOM 0 HB ILE A 138 -5.920 1.901 -1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -8.001 1.987 -3.579 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -6.762 2.148 -4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -7.681 3.679 -1.969 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -6.073 4.380 -1.669 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -6.801 4.484 -3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -7.351 -0.244 -4.466 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -5.662 0.052 -3.992 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -6.921 -0.111 -2.745 1.00 0.00 H new ATOM 2108 N VAL A 139 -3.413 4.734 -2.615 1.00 0.00 N ATOM 2109 CA VAL A 139 -2.599 5.531 -1.689 1.00 0.00 C ATOM 2110 C VAL A 139 -3.444 6.698 -1.169 1.00 0.00 C ATOM 2111 O VAL A 139 -3.997 7.471 -1.959 1.00 0.00 O ATOM 2112 CB VAL A 139 -1.327 6.059 -2.410 1.00 0.00 C ATOM 2113 CG1 VAL A 139 -0.463 6.888 -1.444 1.00 0.00 C ATOM 2114 CG2 VAL A 139 -0.496 4.877 -2.936 1.00 0.00 C ATOM 0 H VAL A 139 -3.711 5.237 -3.451 1.00 0.00 H new ATOM 0 HA VAL A 139 -2.280 4.911 -0.851 1.00 0.00 H new ATOM 0 HB VAL A 139 -1.642 6.690 -3.241 1.00 0.00 H new ATOM 0 HG11 VAL A 139 0.423 7.249 -1.967 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -1.040 7.737 -1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -0.159 6.266 -0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 139 0.394 5.254 -3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 139 -0.199 4.241 -2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 139 -1.093 4.297 -3.639 1.00 0.00 H new ATOM 2124 N ALA A 140 -3.566 6.795 0.160 1.00 0.00 N ATOM 2125 CA ALA A 140 -4.379 7.842 0.784 1.00 0.00 C ATOM 2126 C ALA A 140 -3.625 8.535 1.916 1.00 0.00 C ATOM 2127 O ALA A 140 -2.833 7.909 2.623 1.00 0.00 O ATOM 2128 CB ALA A 140 -5.687 7.241 1.316 1.00 0.00 C ATOM 0 H ALA A 140 -3.114 6.163 0.821 1.00 0.00 H new ATOM 0 HA ALA A 140 -4.604 8.590 0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -6.286 8.025 1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -6.245 6.797 0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -5.460 6.474 2.056 1.00 0.00 H new ATOM 2134 N LYS A 141 -3.891 9.834 2.080 1.00 0.00 N ATOM 2135 CA LYS A 141 -3.257 10.637 3.130 1.00 0.00 C ATOM 2136 C LYS A 141 -4.184 10.743 4.346 1.00 0.00 C ATOM 2137 O LYS A 141 -5.410 10.715 4.204 1.00 0.00 O ATOM 2138 CB LYS A 141 -2.922 12.059 2.585 1.00 0.00 C ATOM 2139 CG LYS A 141 -1.426 12.381 2.770 1.00 0.00 C ATOM 2140 CD LYS A 141 -1.183 13.883 2.552 1.00 0.00 C ATOM 2141 CE LYS A 141 -1.594 14.665 3.807 1.00 0.00 C ATOM 2142 NZ LYS A 141 -0.668 14.338 4.936 1.00 0.00 N ATOM 0 H LYS A 141 -4.545 10.355 1.495 1.00 0.00 H new ATOM 0 HA LYS A 141 -2.332 10.149 3.436 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -3.183 12.119 1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -3.525 12.803 3.105 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -1.104 12.093 3.771 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -0.830 11.801 2.065 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -0.131 14.062 2.330 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -1.754 14.232 1.692 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -1.570 15.736 3.603 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -2.619 14.416 4.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -0.644 15.133 5.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -1.004 13.483 5.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 0.288 14.170 4.563 1.00 0.00 H new ATOM 2156 N ALA A 142 -3.583 10.872 5.537 1.00 0.00 N ATOM 2157 CA ALA A 142 -4.351 10.992 6.777 1.00 0.00 C ATOM 2158 C ALA A 142 -5.215 12.248 6.752 1.00 0.00 C ATOM 2159 O ALA A 142 -4.773 13.302 6.282 1.00 0.00 O ATOM 2160 CB ALA A 142 -3.406 11.042 7.980 1.00 0.00 C ATOM 0 H ALA A 142 -2.571 10.896 5.664 1.00 0.00 H new ATOM 0 HA ALA A 142 -4.999 10.120 6.865 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -3.989 11.131 8.897 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -2.813 10.128 8.015 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -2.743 11.902 7.886 1.00 0.00 H new