USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 592 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 17 HIS : no HD1:sc= -2.15! K(o=-5!,f=-0.11) USER MOD Set 1.2: A 81 GLN : amide:sc= -2.84! K(o=-5!,f=-6e-06) USER MOD Set 2.1: A 16 ASN : amide:sc= -1.8 K(o=-2,f=-8.4!) USER MOD Set 2.2: A 21 SER OG : rot 180:sc= -0.169 USER MOD Single : A 15 SER OG : rot -66:sc= 0.0743 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 147:sc= -0.441 (180deg=-1.65!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0302 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.239 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 65:sc= 0.953 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0982 K(o=-0.098,f=-2.1!) USER MOD Single : A 67 THR OG1 : rot -53:sc= 0.934 USER MOD Single : A 71 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.4!) USER MOD Single : A 72 THR OG1 : rot 68:sc= 0.289 USER MOD Single : A 73 HIS : no HD1:sc= -0.0687 K(o=-0.069,f=-2!) USER MOD Single : A 75 MET CE :methyl -109:sc= -4.35! (180deg=-8.78!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 10.973 9.351 1.876 1.00 0.00 N ATOM 81 CA ALA A 9 9.701 8.751 1.491 1.00 0.00 C ATOM 82 C ALA A 9 9.783 8.137 0.098 1.00 0.00 C ATOM 83 O ALA A 9 10.367 8.720 -0.815 1.00 0.00 O ATOM 84 CB ALA A 9 8.590 9.789 1.547 1.00 0.00 C ATOM 0 HA ALA A 9 9.475 7.953 2.199 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.646 9.328 1.257 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.507 10.179 2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.820 10.605 0.862 1.00 0.00 H new ATOM 90 N ARG A 10 9.195 6.955 -0.058 1.00 0.00 N ATOM 91 CA ARG A 10 9.204 6.259 -1.339 1.00 0.00 C ATOM 92 C ARG A 10 7.808 6.236 -1.954 1.00 0.00 C ATOM 93 O ARG A 10 6.796 6.173 -1.255 1.00 0.00 O ATOM 94 CB ARG A 10 9.721 4.830 -1.165 1.00 0.00 C ATOM 95 CG ARG A 10 11.155 4.757 -0.666 1.00 0.00 C ATOM 96 CD ARG A 10 11.511 3.354 -0.199 1.00 0.00 C ATOM 97 NE ARG A 10 12.939 3.078 -0.336 1.00 0.00 N ATOM 98 CZ ARG A 10 13.858 3.526 0.512 1.00 0.00 C ATOM 99 NH1 ARG A 10 13.502 4.266 1.552 1.00 0.00 N ATOM 100 NH2 ARG A 10 15.138 3.231 0.320 1.00 0.00 N ATOM 0 H ARG A 10 8.706 6.459 0.687 1.00 0.00 H new ATOM 0 HA ARG A 10 9.870 6.798 -2.012 1.00 0.00 H new ATOM 0 HB2 ARG A 10 9.074 4.302 -0.465 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.651 4.308 -2.120 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.835 5.060 -1.463 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.292 5.461 0.155 1.00 0.00 H new ATOM 0 HD2 ARG A 10 11.217 3.233 0.844 1.00 0.00 H new ATOM 0 HD3 ARG A 10 10.944 2.625 -0.777 1.00 0.00 H new ATOM 0 HE ARG A 10 13.247 2.511 -1.126 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.519 4.493 1.704 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.211 4.608 2.201 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.416 2.660 -0.479 1.00 0.00 H new ATOM 0 HH22 ARG A 10 15.844 3.575 0.971 1.00 0.00 H new ATOM 114 N PRO A 11 7.750 6.288 -3.293 1.00 0.00 N ATOM 115 CA PRO A 11 6.485 6.274 -4.032 1.00 0.00 C ATOM 116 C PRO A 11 5.785 4.922 -3.957 1.00 0.00 C ATOM 117 O PRO A 11 6.435 3.877 -3.909 1.00 0.00 O ATOM 118 CB PRO A 11 6.910 6.577 -5.471 1.00 0.00 C ATOM 119 CG PRO A 11 8.326 6.122 -5.551 1.00 0.00 C ATOM 120 CD PRO A 11 8.917 6.365 -4.189 1.00 0.00 C ATOM 0 HA PRO A 11 5.768 6.988 -3.626 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.283 6.048 -6.189 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.823 7.640 -5.694 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.382 5.067 -5.818 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.871 6.674 -6.317 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.667 5.616 -3.937 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.405 7.338 -4.130 1.00 0.00 H new ATOM 128 N PHE A 12 4.455 4.948 -3.948 1.00 0.00 N ATOM 129 CA PHE A 12 3.667 3.722 -3.879 1.00 0.00 C ATOM 130 C PHE A 12 2.288 3.928 -4.497 1.00 0.00 C ATOM 131 O PHE A 12 1.675 4.984 -4.338 1.00 0.00 O ATOM 132 CB PHE A 12 3.524 3.265 -2.425 1.00 0.00 C ATOM 133 CG PHE A 12 4.839 3.008 -1.745 1.00 0.00 C ATOM 134 CD1 PHE A 12 5.570 1.868 -2.031 1.00 0.00 C ATOM 135 CD2 PHE A 12 5.342 3.908 -0.819 1.00 0.00 C ATOM 136 CE1 PHE A 12 6.780 1.629 -1.408 1.00 0.00 C ATOM 137 CE2 PHE A 12 6.552 3.675 -0.193 1.00 0.00 C ATOM 138 CZ PHE A 12 7.271 2.533 -0.486 1.00 0.00 C ATOM 0 H PHE A 12 3.901 5.804 -3.988 1.00 0.00 H new ATOM 0 HA PHE A 12 4.188 2.951 -4.446 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.977 4.024 -1.866 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.925 2.355 -2.396 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.190 1.157 -2.750 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.782 4.801 -0.584 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.341 0.736 -1.642 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.935 4.385 0.525 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.215 2.347 0.005 1.00 0.00 H new ATOM 148 N ARG A 13 1.806 2.910 -5.204 1.00 0.00 N ATOM 149 CA ARG A 13 0.500 2.979 -5.849 1.00 0.00 C ATOM 150 C ARG A 13 -0.525 2.140 -5.092 1.00 0.00 C ATOM 151 O ARG A 13 -0.322 0.946 -4.869 1.00 0.00 O ATOM 152 CB ARG A 13 0.597 2.500 -7.298 1.00 0.00 C ATOM 153 CG ARG A 13 1.099 3.565 -8.260 1.00 0.00 C ATOM 154 CD ARG A 13 1.858 2.950 -9.426 1.00 0.00 C ATOM 155 NE ARG A 13 0.968 2.586 -10.526 1.00 0.00 N ATOM 156 CZ ARG A 13 0.368 3.473 -11.311 1.00 0.00 C ATOM 157 NH1 ARG A 13 0.562 4.770 -11.120 1.00 0.00 N ATOM 158 NH2 ARG A 13 -0.427 3.063 -12.291 1.00 0.00 N ATOM 0 H ARG A 13 2.300 2.029 -5.344 1.00 0.00 H new ATOM 0 HA ARG A 13 0.172 4.018 -5.839 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.263 1.639 -7.343 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.385 2.160 -7.626 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.255 4.142 -8.638 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.748 4.260 -7.728 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.607 3.656 -9.784 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.393 2.064 -9.084 1.00 0.00 H new ATOM 0 HE ARG A 13 0.798 1.596 -10.701 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.173 5.089 -10.369 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.100 5.449 -11.725 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.578 2.066 -12.442 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.887 3.745 -12.893 1.00 0.00 H new ATOM 172 N VAL A 14 -1.625 2.772 -4.697 1.00 0.00 N ATOM 173 CA VAL A 14 -2.682 2.084 -3.966 1.00 0.00 C ATOM 174 C VAL A 14 -3.956 1.992 -4.798 1.00 0.00 C ATOM 175 O VAL A 14 -4.371 2.967 -5.425 1.00 0.00 O ATOM 176 CB VAL A 14 -3.000 2.796 -2.638 1.00 0.00 C ATOM 177 CG1 VAL A 14 -3.903 1.932 -1.771 1.00 0.00 C ATOM 178 CG2 VAL A 14 -1.716 3.146 -1.900 1.00 0.00 C ATOM 0 H VAL A 14 -1.808 3.760 -4.871 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.317 1.079 -3.753 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.529 3.723 -2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.117 2.452 -0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.836 1.737 -2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.404 0.987 -1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.960 3.648 -0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.158 2.234 -1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.109 3.807 -2.519 1.00 0.00 H new ATOM 188 N SER A 15 -4.572 0.815 -4.798 1.00 0.00 N ATOM 189 CA SER A 15 -5.799 0.593 -5.555 1.00 0.00 C ATOM 190 C SER A 15 -6.914 0.083 -4.648 1.00 0.00 C ATOM 191 O SER A 15 -6.654 -0.513 -3.603 1.00 0.00 O ATOM 192 CB SER A 15 -5.551 -0.404 -6.688 1.00 0.00 C ATOM 193 OG SER A 15 -4.586 0.090 -7.600 1.00 0.00 O ATOM 0 H SER A 15 -4.242 -0.001 -4.282 1.00 0.00 H new ATOM 0 HA SER A 15 -6.110 1.547 -5.981 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.212 -1.353 -6.273 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.485 -0.602 -7.214 1.00 0.00 H new ATOM 0 HG SER A 15 -4.945 0.876 -8.062 1.00 0.00 H new ATOM 199 N ASN A 16 -8.156 0.322 -5.055 1.00 0.00 N ATOM 200 CA ASN A 16 -9.312 -0.112 -4.279 1.00 0.00 C ATOM 201 C ASN A 16 -9.660 -1.565 -4.590 1.00 0.00 C ATOM 202 O ASN A 16 -9.042 -2.194 -5.449 1.00 0.00 O ATOM 203 CB ASN A 16 -10.515 0.786 -4.571 1.00 0.00 C ATOM 204 CG ASN A 16 -11.004 0.653 -5.999 1.00 0.00 C ATOM 205 OD1 ASN A 16 -10.437 -0.097 -6.794 1.00 0.00 O ATOM 206 ND2 ASN A 16 -12.062 1.383 -6.334 1.00 0.00 N ATOM 0 H ASN A 16 -8.388 0.814 -5.918 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.059 -0.035 -3.222 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.326 0.535 -3.888 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.245 1.824 -4.378 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.435 1.335 -7.282 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -12.501 1.992 -5.643 1.00 0.00 H new ATOM 213 N HIS A 17 -10.657 -2.093 -3.886 1.00 0.00 N ATOM 214 CA HIS A 17 -11.089 -3.471 -4.087 1.00 0.00 C ATOM 215 C HIS A 17 -11.583 -3.682 -5.516 1.00 0.00 C ATOM 216 O HIS A 17 -11.666 -4.815 -5.992 1.00 0.00 O ATOM 217 CB HIS A 17 -12.195 -3.831 -3.095 1.00 0.00 C ATOM 218 CG HIS A 17 -13.459 -3.053 -3.299 1.00 0.00 C ATOM 219 ND1 HIS A 17 -14.509 -3.510 -4.067 1.00 0.00 N ATOM 220 CD2 HIS A 17 -13.839 -1.843 -2.826 1.00 0.00 C ATOM 221 CE1 HIS A 17 -15.479 -2.614 -4.061 1.00 0.00 C ATOM 222 NE2 HIS A 17 -15.098 -1.593 -3.315 1.00 0.00 N ATOM 0 H HIS A 17 -11.180 -1.587 -3.172 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.232 -4.123 -3.917 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.415 -4.895 -3.180 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -11.832 -3.660 -2.081 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -13.260 -1.195 -2.184 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -16.423 -2.701 -4.578 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -15.649 -0.755 -3.132 1.00 0.00 H new ATOM 231 N ASP A 18 -11.909 -2.586 -6.192 1.00 0.00 N ATOM 232 CA ASP A 18 -12.393 -2.652 -7.566 1.00 0.00 C ATOM 233 C ASP A 18 -11.230 -2.739 -8.549 1.00 0.00 C ATOM 234 O ASP A 18 -11.420 -3.046 -9.726 1.00 0.00 O ATOM 235 CB ASP A 18 -13.256 -1.429 -7.883 1.00 0.00 C ATOM 236 CG ASP A 18 -14.146 -1.647 -9.091 1.00 0.00 C ATOM 237 OD1 ASP A 18 -13.607 -1.903 -10.187 1.00 0.00 O ATOM 238 OD2 ASP A 18 -15.383 -1.560 -8.940 1.00 0.00 O ATOM 0 H ASP A 18 -11.847 -1.642 -5.811 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.999 -3.552 -7.669 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.874 -1.190 -7.018 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.611 -0.569 -8.061 1.00 0.00 H new ATOM 243 N ARG A 19 -10.025 -2.465 -8.058 1.00 0.00 N ATOM 244 CA ARG A 19 -8.832 -2.511 -8.894 1.00 0.00 C ATOM 245 C ARG A 19 -8.948 -1.534 -10.061 1.00 0.00 C ATOM 246 O ARG A 19 -8.418 -1.780 -11.144 1.00 0.00 O ATOM 247 CB ARG A 19 -8.606 -3.928 -9.422 1.00 0.00 C ATOM 248 CG ARG A 19 -7.749 -4.789 -8.508 1.00 0.00 C ATOM 249 CD ARG A 19 -7.270 -6.047 -9.215 1.00 0.00 C ATOM 250 NE ARG A 19 -6.123 -5.786 -10.081 1.00 0.00 N ATOM 251 CZ ARG A 19 -5.242 -6.715 -10.435 1.00 0.00 C ATOM 252 NH1 ARG A 19 -5.376 -7.959 -9.999 1.00 0.00 N ATOM 253 NH2 ARG A 19 -4.225 -6.399 -11.226 1.00 0.00 N ATOM 0 H ARG A 19 -9.850 -2.209 -7.086 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.979 -2.220 -8.281 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.572 -4.413 -9.563 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.132 -3.870 -10.402 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.889 -4.213 -8.165 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.322 -5.064 -7.623 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.000 -6.799 -8.473 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -8.085 -6.462 -9.808 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.991 -4.838 -10.433 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.157 -8.205 -9.390 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.698 -8.671 -10.272 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.119 -5.442 -11.563 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.549 -7.113 -11.497 1.00 0.00 H new ATOM 267 N SER A 20 -9.646 -0.427 -9.832 1.00 0.00 N ATOM 268 CA SER A 20 -9.836 0.585 -10.865 1.00 0.00 C ATOM 269 C SER A 20 -9.320 1.942 -10.398 1.00 0.00 C ATOM 270 O SER A 20 -8.975 2.800 -11.211 1.00 0.00 O ATOM 271 CB SER A 20 -11.316 0.690 -11.240 1.00 0.00 C ATOM 272 OG SER A 20 -11.991 1.607 -10.396 1.00 0.00 O ATOM 0 H SER A 20 -10.090 -0.208 -8.940 1.00 0.00 H new ATOM 0 HA SER A 20 -9.267 0.283 -11.744 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.410 1.009 -12.278 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.784 -0.291 -11.165 1.00 0.00 H new ATOM 0 HG SER A 20 -12.934 1.658 -10.656 1.00 0.00 H new ATOM 278 N SER A 21 -9.269 2.129 -9.084 1.00 0.00 N ATOM 279 CA SER A 21 -8.798 3.382 -8.507 1.00 0.00 C ATOM 280 C SER A 21 -7.279 3.377 -8.362 1.00 0.00 C ATOM 281 O SER A 21 -6.656 2.320 -8.277 1.00 0.00 O ATOM 282 CB SER A 21 -9.451 3.618 -7.143 1.00 0.00 C ATOM 283 OG SER A 21 -10.855 3.759 -7.268 1.00 0.00 O ATOM 0 H SER A 21 -9.548 1.428 -8.398 1.00 0.00 H new ATOM 0 HA SER A 21 -9.079 4.191 -9.181 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.224 2.785 -6.478 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.032 4.514 -6.686 1.00 0.00 H new ATOM 0 HG SER A 21 -11.249 3.907 -6.383 1.00 0.00 H new ATOM 289 N ARG A 22 -6.690 4.568 -8.336 1.00 0.00 N ATOM 290 CA ARG A 22 -5.245 4.702 -8.203 1.00 0.00 C ATOM 291 C ARG A 22 -4.889 5.864 -7.279 1.00 0.00 C ATOM 292 O ARG A 22 -5.235 7.015 -7.551 1.00 0.00 O ATOM 293 CB ARG A 22 -4.602 4.913 -9.575 1.00 0.00 C ATOM 294 CG ARG A 22 -4.803 3.746 -10.527 1.00 0.00 C ATOM 295 CD ARG A 22 -4.787 4.202 -11.977 1.00 0.00 C ATOM 296 NE ARG A 22 -5.025 3.095 -12.901 1.00 0.00 N ATOM 297 CZ ARG A 22 -4.127 2.153 -13.165 1.00 0.00 C ATOM 298 NH1 ARG A 22 -2.940 2.180 -12.576 1.00 0.00 N ATOM 299 NH2 ARG A 22 -4.418 1.178 -14.016 1.00 0.00 N ATOM 0 H ARG A 22 -7.191 5.454 -8.405 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.859 3.781 -7.766 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.016 5.815 -10.026 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.534 5.084 -9.444 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.018 3.006 -10.368 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.752 3.256 -10.309 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.548 4.968 -12.125 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.825 4.662 -12.202 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.930 3.043 -13.369 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.714 2.926 -11.918 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.252 1.455 -12.781 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.332 1.152 -14.468 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.728 0.455 -14.218 1.00 0.00 H new ATOM 313 N ARG A 23 -4.198 5.554 -6.187 1.00 0.00 N ATOM 314 CA ARG A 23 -3.797 6.572 -5.223 1.00 0.00 C ATOM 315 C ARG A 23 -2.295 6.514 -4.962 1.00 0.00 C ATOM 316 O ARG A 23 -1.768 5.487 -4.534 1.00 0.00 O ATOM 317 CB ARG A 23 -4.560 6.388 -3.908 1.00 0.00 C ATOM 318 CG ARG A 23 -3.796 6.875 -2.689 1.00 0.00 C ATOM 319 CD ARG A 23 -3.524 8.369 -2.760 1.00 0.00 C ATOM 320 NE ARG A 23 -4.739 9.135 -3.028 1.00 0.00 N ATOM 321 CZ ARG A 23 -4.754 10.450 -3.208 1.00 0.00 C ATOM 322 NH1 ARG A 23 -3.625 11.143 -3.151 1.00 0.00 N ATOM 323 NH2 ARG A 23 -5.900 11.075 -3.447 1.00 0.00 N ATOM 0 H ARG A 23 -3.904 4.607 -5.948 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.038 7.548 -5.643 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.508 6.922 -3.970 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.797 5.332 -3.780 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.366 6.651 -1.788 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.852 6.336 -2.611 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.085 8.703 -1.820 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.791 8.567 -3.542 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.625 8.631 -3.080 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.742 10.666 -2.969 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.639 12.153 -3.290 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -6.770 10.545 -3.492 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.911 12.086 -3.585 1.00 0.00 H new ATOM 337 N GLY A 24 -1.611 7.623 -5.225 1.00 0.00 N ATOM 338 CA GLY A 24 -0.175 7.676 -5.016 1.00 0.00 C ATOM 339 C GLY A 24 0.195 8.363 -3.716 1.00 0.00 C ATOM 340 O GLY A 24 -0.017 9.565 -3.559 1.00 0.00 O ATOM 0 H GLY A 24 -2.025 8.486 -5.579 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.227 6.663 -5.016 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.291 8.204 -5.848 1.00 0.00 H new ATOM 344 N VAL A 25 0.748 7.598 -2.781 1.00 0.00 N ATOM 345 CA VAL A 25 1.148 8.140 -1.488 1.00 0.00 C ATOM 346 C VAL A 25 2.648 7.979 -1.265 1.00 0.00 C ATOM 347 O VAL A 25 3.244 6.984 -1.677 1.00 0.00 O ATOM 348 CB VAL A 25 0.392 7.456 -0.334 1.00 0.00 C ATOM 349 CG1 VAL A 25 0.520 8.269 0.945 1.00 0.00 C ATOM 350 CG2 VAL A 25 -1.069 7.253 -0.702 1.00 0.00 C ATOM 0 H VAL A 25 0.929 6.601 -2.895 1.00 0.00 H new ATOM 0 HA VAL A 25 0.897 9.201 -1.498 1.00 0.00 H new ATOM 0 HB VAL A 25 0.839 6.477 -0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.021 7.770 1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.572 8.358 1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.100 9.263 0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.588 6.768 0.125 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.531 8.219 -0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.137 6.625 -1.591 1.00 0.00 H new ATOM 360 N MET A 26 3.252 8.964 -0.608 1.00 0.00 N ATOM 361 CA MET A 26 4.683 8.931 -0.329 1.00 0.00 C ATOM 362 C MET A 26 4.941 8.684 1.154 1.00 0.00 C ATOM 363 O MET A 26 4.798 9.587 1.978 1.00 0.00 O ATOM 364 CB MET A 26 5.341 10.243 -0.761 1.00 0.00 C ATOM 365 CG MET A 26 5.212 10.526 -2.248 1.00 0.00 C ATOM 366 SD MET A 26 6.549 11.559 -2.877 1.00 0.00 S ATOM 367 CE MET A 26 7.974 10.547 -2.481 1.00 0.00 C ATOM 0 H MET A 26 2.773 9.794 -0.259 1.00 0.00 H new ATOM 0 HA MET A 26 5.119 8.111 -0.899 1.00 0.00 H new ATOM 0 HB2 MET A 26 4.894 11.065 -0.203 1.00 0.00 H new ATOM 0 HB3 MET A 26 6.398 10.215 -0.495 1.00 0.00 H new ATOM 0 HG2 MET A 26 5.200 9.583 -2.794 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.258 11.017 -2.439 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.742 10.687 -3.242 1.00 0.00 H new ATOM 0 HE2 MET A 26 8.369 10.840 -1.508 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.679 9.498 -2.452 1.00 0.00 H new ATOM 377 N ALA A 27 5.323 7.454 1.487 1.00 0.00 N ATOM 378 CA ALA A 27 5.601 7.090 2.871 1.00 0.00 C ATOM 379 C ALA A 27 7.003 6.505 3.012 1.00 0.00 C ATOM 380 O ALA A 27 7.575 5.998 2.047 1.00 0.00 O ATOM 381 CB ALA A 27 4.561 6.102 3.377 1.00 0.00 C ATOM 0 H ALA A 27 5.447 6.694 0.818 1.00 0.00 H new ATOM 0 HA ALA A 27 5.550 7.995 3.477 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.782 5.839 4.412 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.571 6.555 3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.584 5.203 2.762 1.00 0.00 H new ATOM 387 N SER A 28 7.550 6.579 4.221 1.00 0.00 N ATOM 388 CA SER A 28 8.888 6.060 4.487 1.00 0.00 C ATOM 389 C SER A 28 8.821 4.629 5.012 1.00 0.00 C ATOM 390 O SER A 28 9.811 3.898 4.983 1.00 0.00 O ATOM 391 CB SER A 28 9.612 6.952 5.497 1.00 0.00 C ATOM 392 OG SER A 28 10.755 6.302 6.023 1.00 0.00 O ATOM 0 H SER A 28 7.089 6.993 5.031 1.00 0.00 H new ATOM 0 HA SER A 28 9.444 6.059 3.549 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.909 7.884 5.017 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.933 7.214 6.308 1.00 0.00 H new ATOM 0 HG SER A 28 11.201 6.893 6.665 1.00 0.00 H new ATOM 398 N SER A 29 7.644 4.235 5.490 1.00 0.00 N ATOM 399 CA SER A 29 7.447 2.893 6.026 1.00 0.00 C ATOM 400 C SER A 29 6.072 2.353 5.645 1.00 0.00 C ATOM 401 O SER A 29 5.286 3.033 4.983 1.00 0.00 O ATOM 402 CB SER A 29 7.602 2.900 7.548 1.00 0.00 C ATOM 403 OG SER A 29 7.222 4.151 8.093 1.00 0.00 O ATOM 0 H SER A 29 6.813 4.826 5.517 1.00 0.00 H new ATOM 0 HA SER A 29 8.207 2.241 5.595 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.990 2.109 7.983 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.637 2.684 7.812 1.00 0.00 H new ATOM 0 HG SER A 29 7.328 4.129 9.067 1.00 0.00 H new ATOM 409 N LEU A 30 5.787 1.127 6.068 1.00 0.00 N ATOM 410 CA LEU A 30 4.507 0.493 5.773 1.00 0.00 C ATOM 411 C LEU A 30 3.397 1.077 6.642 1.00 0.00 C ATOM 412 O LEU A 30 2.261 1.230 6.193 1.00 0.00 O ATOM 413 CB LEU A 30 4.600 -1.017 5.993 1.00 0.00 C ATOM 414 CG LEU A 30 3.290 -1.727 6.340 1.00 0.00 C ATOM 415 CD1 LEU A 30 2.422 -1.881 5.100 1.00 0.00 C ATOM 416 CD2 LEU A 30 3.571 -3.085 6.968 1.00 0.00 C ATOM 0 H LEU A 30 6.426 0.551 6.617 1.00 0.00 H new ATOM 0 HA LEU A 30 4.266 0.687 4.728 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.008 -1.471 5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.315 -1.204 6.795 1.00 0.00 H new ATOM 0 HG LEU A 30 2.749 -1.118 7.064 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.494 -2.388 5.366 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.193 -0.897 4.691 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.956 -2.469 4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.628 -3.577 7.209 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.133 -3.701 6.266 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.153 -2.951 7.880 1.00 0.00 H new ATOM 428 N GLN A 31 3.735 1.403 7.885 1.00 0.00 N ATOM 429 CA GLN A 31 2.768 1.973 8.815 1.00 0.00 C ATOM 430 C GLN A 31 2.333 3.364 8.366 1.00 0.00 C ATOM 431 O GLN A 31 1.141 3.640 8.236 1.00 0.00 O ATOM 432 CB GLN A 31 3.362 2.042 10.224 1.00 0.00 C ATOM 433 CG GLN A 31 2.443 2.701 11.239 1.00 0.00 C ATOM 434 CD GLN A 31 1.334 1.779 11.709 1.00 0.00 C ATOM 435 OE1 GLN A 31 1.489 1.053 12.691 1.00 0.00 O ATOM 436 NE2 GLN A 31 0.208 1.804 11.007 1.00 0.00 N ATOM 0 H GLN A 31 4.671 1.282 8.271 1.00 0.00 H new ATOM 0 HA GLN A 31 1.891 1.325 8.829 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.597 1.032 10.560 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.302 2.592 10.187 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.030 3.024 12.099 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.004 3.596 10.798 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.124 2.422 10.200 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.573 1.205 11.275 1.00 0.00 H new ATOM 445 N GLU A 32 3.308 4.236 8.129 1.00 0.00 N ATOM 446 CA GLU A 32 3.025 5.599 7.695 1.00 0.00 C ATOM 447 C GLU A 32 2.107 5.602 6.476 1.00 0.00 C ATOM 448 O GLU A 32 1.233 6.459 6.346 1.00 0.00 O ATOM 449 CB GLU A 32 4.327 6.335 7.369 1.00 0.00 C ATOM 450 CG GLU A 32 4.113 7.696 6.728 1.00 0.00 C ATOM 451 CD GLU A 32 5.284 8.633 6.945 1.00 0.00 C ATOM 452 OE1 GLU A 32 5.318 9.309 7.994 1.00 0.00 O ATOM 453 OE2 GLU A 32 6.167 8.691 6.063 1.00 0.00 O ATOM 0 H GLU A 32 4.300 4.023 8.230 1.00 0.00 H new ATOM 0 HA GLU A 32 2.519 6.115 8.511 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.903 6.461 8.286 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.926 5.718 6.699 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.948 7.568 5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.210 8.148 7.137 1.00 0.00 H new ATOM 460 N LEU A 33 2.313 4.638 5.585 1.00 0.00 N ATOM 461 CA LEU A 33 1.506 4.528 4.376 1.00 0.00 C ATOM 462 C LEU A 33 0.048 4.235 4.719 1.00 0.00 C ATOM 463 O LEU A 33 -0.823 5.089 4.553 1.00 0.00 O ATOM 464 CB LEU A 33 2.059 3.429 3.467 1.00 0.00 C ATOM 465 CG LEU A 33 1.237 3.115 2.217 1.00 0.00 C ATOM 466 CD1 LEU A 33 1.341 4.250 1.210 1.00 0.00 C ATOM 467 CD2 LEU A 33 1.693 1.804 1.593 1.00 0.00 C ATOM 0 H LEU A 33 3.033 3.921 5.678 1.00 0.00 H new ATOM 0 HA LEU A 33 1.552 5.482 3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.063 3.715 3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.156 2.515 4.053 1.00 0.00 H new ATOM 0 HG LEU A 33 0.192 3.011 2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.749 4.008 0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.965 5.170 1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.383 4.387 0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.096 1.597 0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.744 1.880 1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.565 0.995 2.312 1.00 0.00 H new ATOM 479 N ILE A 34 -0.208 3.023 5.200 1.00 0.00 N ATOM 480 CA ILE A 34 -1.558 2.618 5.570 1.00 0.00 C ATOM 481 C ILE A 34 -2.345 3.791 6.145 1.00 0.00 C ATOM 482 O ILE A 34 -3.347 4.220 5.573 1.00 0.00 O ATOM 483 CB ILE A 34 -1.541 1.472 6.599 1.00 0.00 C ATOM 484 CG1 ILE A 34 -0.983 0.197 5.964 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.940 1.230 7.146 1.00 0.00 C ATOM 486 CD1 ILE A 34 -0.376 -0.761 6.966 1.00 0.00 C ATOM 0 H ILE A 34 0.502 2.305 5.342 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.043 2.269 4.659 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.893 1.757 7.428 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.783 -0.311 5.426 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.226 0.468 5.228 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.911 0.417 7.872 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.303 2.136 7.630 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.609 0.963 6.328 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.001 -1.642 6.446 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.446 -0.270 7.487 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.135 -1.062 7.688 1.00 0.00 H new ATOM 498 N SER A 35 -1.884 4.307 7.280 1.00 0.00 N ATOM 499 CA SER A 35 -2.546 5.429 7.934 1.00 0.00 C ATOM 500 C SER A 35 -2.886 6.522 6.926 1.00 0.00 C ATOM 501 O SER A 35 -3.995 7.057 6.922 1.00 0.00 O ATOM 502 CB SER A 35 -1.656 5.999 9.041 1.00 0.00 C ATOM 503 OG SER A 35 -2.291 7.080 9.700 1.00 0.00 O ATOM 0 H SER A 35 -1.054 3.966 7.766 1.00 0.00 H new ATOM 0 HA SER A 35 -3.474 5.064 8.375 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.422 5.216 9.763 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.710 6.334 8.615 1.00 0.00 H new ATOM 0 HG SER A 35 -1.703 7.425 10.404 1.00 0.00 H new ATOM 509 N LYS A 36 -1.924 6.849 6.070 1.00 0.00 N ATOM 510 CA LYS A 36 -2.119 7.877 5.055 1.00 0.00 C ATOM 511 C LYS A 36 -3.211 7.469 4.071 1.00 0.00 C ATOM 512 O LYS A 36 -4.159 8.219 3.833 1.00 0.00 O ATOM 513 CB LYS A 36 -0.811 8.135 4.303 1.00 0.00 C ATOM 514 CG LYS A 36 0.232 8.866 5.130 1.00 0.00 C ATOM 515 CD LYS A 36 1.625 8.690 4.552 1.00 0.00 C ATOM 516 CE LYS A 36 1.948 9.773 3.534 1.00 0.00 C ATOM 517 NZ LYS A 36 2.429 11.022 4.185 1.00 0.00 N ATOM 0 H LYS A 36 -1.000 6.416 6.059 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.430 8.794 5.557 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.398 7.182 3.972 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.026 8.717 3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.014 9.927 5.172 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.212 8.493 6.154 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.360 8.715 5.357 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.703 7.711 4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.709 9.407 2.844 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.059 9.991 2.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.638 11.735 3.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.694 11.386 4.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.292 10.820 4.729 1.00 0.00 H new ATOM 531 N THR A 37 -3.074 6.276 3.501 1.00 0.00 N ATOM 532 CA THR A 37 -4.048 5.769 2.544 1.00 0.00 C ATOM 533 C THR A 37 -5.472 6.084 2.990 1.00 0.00 C ATOM 534 O THR A 37 -6.227 6.741 2.273 1.00 0.00 O ATOM 535 CB THR A 37 -3.907 4.248 2.351 1.00 0.00 C ATOM 536 OG1 THR A 37 -2.524 3.893 2.247 1.00 0.00 O ATOM 537 CG2 THR A 37 -4.647 3.790 1.103 1.00 0.00 C ATOM 0 H THR A 37 -2.296 5.642 3.686 1.00 0.00 H new ATOM 0 HA THR A 37 -3.848 6.268 1.596 1.00 0.00 H new ATOM 0 HB THR A 37 -4.345 3.753 3.217 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.443 2.924 2.126 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.533 2.712 0.987 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.705 4.035 1.197 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.234 4.294 0.229 1.00 0.00 H new ATOM 545 N LEU A 38 -5.833 5.610 4.178 1.00 0.00 N ATOM 546 CA LEU A 38 -7.166 5.841 4.721 1.00 0.00 C ATOM 547 C LEU A 38 -7.646 7.255 4.406 1.00 0.00 C ATOM 548 O LEU A 38 -8.794 7.459 4.015 1.00 0.00 O ATOM 549 CB LEU A 38 -7.169 5.615 6.234 1.00 0.00 C ATOM 550 CG LEU A 38 -7.327 4.166 6.695 1.00 0.00 C ATOM 551 CD1 LEU A 38 -6.757 3.986 8.094 1.00 0.00 C ATOM 552 CD2 LEU A 38 -8.790 3.750 6.655 1.00 0.00 C ATOM 0 H LEU A 38 -5.220 5.063 4.783 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.849 5.132 4.253 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.236 6.005 6.641 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.977 6.204 6.668 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.769 3.525 6.013 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.878 2.949 8.406 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.698 4.243 8.091 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.286 4.638 8.789 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.883 2.716 6.986 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.370 4.396 7.314 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.166 3.840 5.636 1.00 0.00 H new ATOM 564 N ASP A 39 -6.755 8.227 4.576 1.00 0.00 N ATOM 565 CA ASP A 39 -7.086 9.621 4.306 1.00 0.00 C ATOM 566 C ASP A 39 -7.182 9.877 2.805 1.00 0.00 C ATOM 567 O ASP A 39 -8.179 10.409 2.319 1.00 0.00 O ATOM 568 CB ASP A 39 -6.038 10.545 4.928 1.00 0.00 C ATOM 569 CG ASP A 39 -6.579 11.935 5.199 1.00 0.00 C ATOM 570 OD1 ASP A 39 -7.767 12.048 5.569 1.00 0.00 O ATOM 571 OD2 ASP A 39 -5.814 12.909 5.043 1.00 0.00 O ATOM 0 H ASP A 39 -5.800 8.075 4.899 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.057 9.832 4.754 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.681 10.109 5.861 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.179 10.616 4.261 1.00 0.00 H new ATOM 576 N ALA A 40 -6.137 9.495 2.078 1.00 0.00 N ATOM 577 CA ALA A 40 -6.104 9.682 0.632 1.00 0.00 C ATOM 578 C ALA A 40 -7.374 9.147 -0.020 1.00 0.00 C ATOM 579 O ALA A 40 -8.071 9.871 -0.731 1.00 0.00 O ATOM 580 CB ALA A 40 -4.877 9.003 0.041 1.00 0.00 C ATOM 0 H ALA A 40 -5.303 9.055 2.466 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.047 10.751 0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.864 9.150 -1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.976 9.436 0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.910 7.936 0.261 1.00 0.00 H new ATOM 586 N LEU A 41 -7.668 7.874 0.226 1.00 0.00 N ATOM 587 CA LEU A 41 -8.854 7.241 -0.338 1.00 0.00 C ATOM 588 C LEU A 41 -10.098 7.597 0.470 1.00 0.00 C ATOM 589 O LEU A 41 -11.200 7.136 0.170 1.00 0.00 O ATOM 590 CB LEU A 41 -8.676 5.723 -0.380 1.00 0.00 C ATOM 591 CG LEU A 41 -7.962 5.164 -1.611 1.00 0.00 C ATOM 592 CD1 LEU A 41 -7.252 3.862 -1.272 1.00 0.00 C ATOM 593 CD2 LEU A 41 -8.949 4.954 -2.751 1.00 0.00 C ATOM 0 H LEU A 41 -7.101 7.261 0.812 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.985 7.613 -1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.121 5.418 0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.661 5.260 -0.315 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.214 5.889 -1.933 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.750 3.479 -2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.516 4.042 -0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.981 3.130 -0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.423 4.556 -3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.720 4.250 -2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.411 5.906 -3.012 1.00 0.00 H new ATOM 605 N VAL A 42 -9.915 8.421 1.497 1.00 0.00 N ATOM 606 CA VAL A 42 -11.022 8.841 2.347 1.00 0.00 C ATOM 607 C VAL A 42 -12.017 7.705 2.556 1.00 0.00 C ATOM 608 O VAL A 42 -13.229 7.905 2.473 1.00 0.00 O ATOM 609 CB VAL A 42 -11.762 10.052 1.748 1.00 0.00 C ATOM 610 CG1 VAL A 42 -10.865 11.281 1.753 1.00 0.00 C ATOM 611 CG2 VAL A 42 -12.242 9.739 0.339 1.00 0.00 C ATOM 0 H VAL A 42 -9.010 8.811 1.760 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.592 9.125 3.308 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.634 10.265 2.366 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.404 12.127 1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.574 11.515 2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.973 11.083 1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -12.763 10.605 -0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.386 9.500 -0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -12.922 8.887 0.367 1.00 0.00 H new ATOM 621 N ILE A 43 -11.496 6.512 2.825 1.00 0.00 N ATOM 622 CA ILE A 43 -12.340 5.344 3.047 1.00 0.00 C ATOM 623 C ILE A 43 -13.428 5.639 4.073 1.00 0.00 C ATOM 624 O ILE A 43 -13.219 6.407 5.012 1.00 0.00 O ATOM 625 CB ILE A 43 -11.513 4.135 3.525 1.00 0.00 C ATOM 626 CG1 ILE A 43 -10.498 3.730 2.455 1.00 0.00 C ATOM 627 CG2 ILE A 43 -12.427 2.969 3.866 1.00 0.00 C ATOM 628 CD1 ILE A 43 -9.546 2.643 2.906 1.00 0.00 C ATOM 0 H ILE A 43 -10.495 6.329 2.894 1.00 0.00 H new ATOM 0 HA ILE A 43 -12.803 5.102 2.090 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.969 4.418 4.426 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.033 3.389 1.569 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.922 4.608 2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.828 2.123 4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -13.114 3.265 4.659 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -12.996 2.682 2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.855 2.406 2.097 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.984 2.988 3.774 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.112 1.751 3.172 1.00 0.00 H new ATOM 640 N ALA A 44 -14.591 5.022 3.887 1.00 0.00 N ATOM 641 CA ALA A 44 -15.712 5.216 4.799 1.00 0.00 C ATOM 642 C ALA A 44 -15.291 4.975 6.246 1.00 0.00 C ATOM 643 O ALA A 44 -15.300 5.892 7.067 1.00 0.00 O ATOM 644 CB ALA A 44 -16.863 4.294 4.422 1.00 0.00 C ATOM 0 H ALA A 44 -14.781 4.384 3.114 1.00 0.00 H new ATOM 0 HA ALA A 44 -16.045 6.250 4.712 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.694 4.449 5.111 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.188 4.515 3.405 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.532 3.257 4.480 1.00 0.00 H new ATOM 650 N THR A 45 -14.923 3.734 6.551 1.00 0.00 N ATOM 651 CA THR A 45 -14.501 3.372 7.899 1.00 0.00 C ATOM 652 C THR A 45 -12.996 3.139 7.959 1.00 0.00 C ATOM 653 O THR A 45 -12.319 3.118 6.932 1.00 0.00 O ATOM 654 CB THR A 45 -15.226 2.106 8.394 1.00 0.00 C ATOM 655 OG1 THR A 45 -14.933 1.884 9.777 1.00 0.00 O ATOM 656 CG2 THR A 45 -14.807 0.891 7.579 1.00 0.00 C ATOM 0 H THR A 45 -14.909 2.963 5.883 1.00 0.00 H new ATOM 0 HA THR A 45 -14.763 4.208 8.548 1.00 0.00 H new ATOM 0 HB THR A 45 -16.299 2.255 8.270 1.00 0.00 H new ATOM 0 HG1 THR A 45 -15.399 1.079 10.085 1.00 0.00 H new ATOM 0 HG21 THR A 45 -15.331 0.008 7.946 1.00 0.00 H new ATOM 0 HG22 THR A 45 -15.058 1.052 6.530 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.732 0.741 7.676 1.00 0.00 H new ATOM 664 N GLY A 46 -12.477 2.963 9.171 1.00 0.00 N ATOM 665 CA GLY A 46 -11.054 2.734 9.342 1.00 0.00 C ATOM 666 C GLY A 46 -10.688 1.266 9.241 1.00 0.00 C ATOM 667 O GLY A 46 -9.659 0.914 8.663 1.00 0.00 O ATOM 0 H GLY A 46 -13.016 2.975 10.037 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.505 3.295 8.586 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.741 3.118 10.313 1.00 0.00 H new ATOM 671 N LEU A 47 -11.530 0.408 9.805 1.00 0.00 N ATOM 672 CA LEU A 47 -11.289 -1.031 9.777 1.00 0.00 C ATOM 673 C LEU A 47 -11.040 -1.514 8.352 1.00 0.00 C ATOM 674 O LEU A 47 -11.980 -1.783 7.604 1.00 0.00 O ATOM 675 CB LEU A 47 -12.479 -1.779 10.382 1.00 0.00 C ATOM 676 CG LEU A 47 -12.233 -3.243 10.752 1.00 0.00 C ATOM 677 CD1 LEU A 47 -11.443 -3.944 9.659 1.00 0.00 C ATOM 678 CD2 LEU A 47 -11.507 -3.340 12.085 1.00 0.00 C ATOM 0 H LEU A 47 -12.386 0.683 10.287 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.399 -1.237 10.371 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -12.799 -1.247 11.278 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -13.307 -1.738 9.674 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.198 -3.741 10.850 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -11.278 -4.984 9.940 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -12.002 -3.905 8.724 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.482 -3.446 9.528 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.340 -4.388 12.333 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.548 -2.826 12.015 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -12.112 -2.875 12.863 1.00 0.00 H new ATOM 690 N VAL A 48 -9.768 -1.624 7.983 1.00 0.00 N ATOM 691 CA VAL A 48 -9.395 -2.078 6.648 1.00 0.00 C ATOM 692 C VAL A 48 -8.140 -2.941 6.693 1.00 0.00 C ATOM 693 O VAL A 48 -7.520 -3.103 7.744 1.00 0.00 O ATOM 694 CB VAL A 48 -9.156 -0.890 5.699 1.00 0.00 C ATOM 695 CG1 VAL A 48 -10.407 -0.030 5.590 1.00 0.00 C ATOM 696 CG2 VAL A 48 -7.970 -0.062 6.169 1.00 0.00 C ATOM 0 H VAL A 48 -8.978 -1.405 8.590 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.227 -2.672 6.270 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.927 -1.282 4.708 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.217 0.804 4.915 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.229 -0.631 5.202 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.672 0.354 6.575 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.816 0.773 5.486 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.167 0.320 7.171 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.076 -0.685 6.188 1.00 0.00 H new ATOM 706 N THR A 49 -7.767 -3.493 5.542 1.00 0.00 N ATOM 707 CA THR A 49 -6.586 -4.342 5.449 1.00 0.00 C ATOM 708 C THR A 49 -5.794 -4.042 4.181 1.00 0.00 C ATOM 709 O THR A 49 -6.369 -3.838 3.111 1.00 0.00 O ATOM 710 CB THR A 49 -6.963 -5.834 5.464 1.00 0.00 C ATOM 711 OG1 THR A 49 -7.635 -6.157 6.688 1.00 0.00 O ATOM 712 CG2 THR A 49 -5.725 -6.706 5.315 1.00 0.00 C ATOM 0 H THR A 49 -8.266 -3.367 4.661 1.00 0.00 H new ATOM 0 HA THR A 49 -5.970 -4.123 6.321 1.00 0.00 H new ATOM 0 HB THR A 49 -7.628 -6.027 4.622 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.873 -7.108 6.689 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.016 -7.756 5.328 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.231 -6.478 4.370 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.040 -6.509 6.139 1.00 0.00 H new ATOM 720 N LEU A 50 -4.471 -4.019 4.306 1.00 0.00 N ATOM 721 CA LEU A 50 -3.600 -3.747 3.168 1.00 0.00 C ATOM 722 C LEU A 50 -2.938 -5.027 2.670 1.00 0.00 C ATOM 723 O LEU A 50 -2.333 -5.768 3.445 1.00 0.00 O ATOM 724 CB LEU A 50 -2.531 -2.723 3.555 1.00 0.00 C ATOM 725 CG LEU A 50 -1.843 -2.000 2.395 1.00 0.00 C ATOM 726 CD1 LEU A 50 -2.784 -0.984 1.767 1.00 0.00 C ATOM 727 CD2 LEU A 50 -0.565 -1.324 2.871 1.00 0.00 C ATOM 0 H LEU A 50 -3.979 -4.185 5.184 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.211 -3.340 2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.990 -1.975 4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.767 -3.230 4.145 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.579 -2.737 1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.278 -0.479 0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.671 -1.494 1.390 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.079 -0.249 2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.089 -0.815 2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.805 -0.598 3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.115 -2.074 3.273 1.00 0.00 H new ATOM 739 N VAL A 51 -3.055 -5.281 1.370 1.00 0.00 N ATOM 740 CA VAL A 51 -2.465 -6.470 0.767 1.00 0.00 C ATOM 741 C VAL A 51 -1.827 -6.145 -0.578 1.00 0.00 C ATOM 742 O VAL A 51 -2.001 -5.048 -1.112 1.00 0.00 O ATOM 743 CB VAL A 51 -3.515 -7.579 0.571 1.00 0.00 C ATOM 744 CG1 VAL A 51 -4.277 -7.828 1.864 1.00 0.00 C ATOM 745 CG2 VAL A 51 -4.467 -7.216 -0.558 1.00 0.00 C ATOM 0 H VAL A 51 -3.553 -4.679 0.715 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.696 -6.825 1.453 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.000 -8.500 0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.015 -8.615 1.706 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.580 -8.135 2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.783 -6.912 2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.203 -8.010 -0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.977 -6.283 -0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.904 -7.094 -1.483 1.00 0.00 H new ATOM 755 N LEU A 52 -1.088 -7.104 -1.124 1.00 0.00 N ATOM 756 CA LEU A 52 -0.424 -6.921 -2.409 1.00 0.00 C ATOM 757 C LEU A 52 -1.409 -7.095 -3.562 1.00 0.00 C ATOM 758 O LEU A 52 -2.215 -8.024 -3.565 1.00 0.00 O ATOM 759 CB LEU A 52 0.730 -7.915 -2.556 1.00 0.00 C ATOM 760 CG LEU A 52 1.926 -7.694 -1.631 1.00 0.00 C ATOM 761 CD1 LEU A 52 2.961 -8.793 -1.825 1.00 0.00 C ATOM 762 CD2 LEU A 52 2.546 -6.326 -1.876 1.00 0.00 C ATOM 0 H LEU A 52 -0.934 -8.017 -0.696 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.028 -5.906 -2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.343 -8.919 -2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.082 -7.882 -3.587 1.00 0.00 H new ATOM 0 HG LEU A 52 1.574 -7.731 -0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.806 -8.619 -1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.512 -9.760 -1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.308 -8.788 -2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.396 -6.187 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.883 -6.259 -2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.804 -5.551 -1.685 1.00 0.00 H new ATOM 774 N GLU A 53 -1.336 -6.195 -4.537 1.00 0.00 N ATOM 775 CA GLU A 53 -2.221 -6.251 -5.694 1.00 0.00 C ATOM 776 C GLU A 53 -1.735 -7.290 -6.701 1.00 0.00 C ATOM 777 O GLU A 53 -2.213 -7.343 -7.833 1.00 0.00 O ATOM 778 CB GLU A 53 -2.307 -4.877 -6.364 1.00 0.00 C ATOM 779 CG GLU A 53 -3.498 -4.729 -7.297 1.00 0.00 C ATOM 780 CD GLU A 53 -4.825 -4.853 -6.572 1.00 0.00 C ATOM 781 OE1 GLU A 53 -5.188 -5.984 -6.189 1.00 0.00 O ATOM 782 OE2 GLU A 53 -5.499 -3.819 -6.389 1.00 0.00 O ATOM 0 H GLU A 53 -0.674 -5.419 -4.549 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.213 -6.542 -5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.362 -4.109 -5.593 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.391 -4.698 -6.927 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.448 -3.760 -7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.441 -5.489 -8.076 1.00 0.00 H new ATOM 789 N GLU A 54 -0.782 -8.115 -6.278 1.00 0.00 N ATOM 790 CA GLU A 54 -0.231 -9.152 -7.143 1.00 0.00 C ATOM 791 C GLU A 54 -0.791 -10.522 -6.774 1.00 0.00 C ATOM 792 O GLU A 54 -1.322 -11.237 -7.624 1.00 0.00 O ATOM 793 CB GLU A 54 1.296 -9.170 -7.045 1.00 0.00 C ATOM 794 CG GLU A 54 1.825 -8.711 -5.697 1.00 0.00 C ATOM 795 CD GLU A 54 3.339 -8.750 -5.620 1.00 0.00 C ATOM 796 OE1 GLU A 54 3.888 -9.810 -5.256 1.00 0.00 O ATOM 797 OE2 GLU A 54 3.974 -7.719 -5.925 1.00 0.00 O ATOM 0 H GLU A 54 -0.376 -8.085 -5.343 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.520 -8.925 -8.169 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.652 -10.181 -7.240 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.709 -8.530 -7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.481 -7.695 -5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.409 -9.344 -4.913 1.00 0.00 H new ATOM 804 N ASP A 55 -0.669 -10.882 -5.501 1.00 0.00 N ATOM 805 CA ASP A 55 -1.164 -12.166 -5.018 1.00 0.00 C ATOM 806 C ASP A 55 -2.088 -11.977 -3.820 1.00 0.00 C ATOM 807 O ASP A 55 -2.491 -12.944 -3.175 1.00 0.00 O ATOM 808 CB ASP A 55 0.006 -13.077 -4.639 1.00 0.00 C ATOM 809 CG ASP A 55 1.162 -12.309 -4.028 1.00 0.00 C ATOM 810 OD1 ASP A 55 0.918 -11.503 -3.105 1.00 0.00 O ATOM 811 OD2 ASP A 55 2.311 -12.516 -4.472 1.00 0.00 O ATOM 0 H ASP A 55 -0.231 -10.303 -4.785 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.733 -12.634 -5.821 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -0.339 -13.832 -3.932 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.353 -13.606 -5.526 1.00 0.00 H new ATOM 816 N GLY A 56 -2.418 -10.724 -3.525 1.00 0.00 N ATOM 817 CA GLY A 56 -3.291 -10.430 -2.404 1.00 0.00 C ATOM 818 C GLY A 56 -2.710 -10.890 -1.082 1.00 0.00 C ATOM 819 O GLY A 56 -3.423 -11.431 -0.235 1.00 0.00 O ATOM 0 H GLY A 56 -2.096 -9.906 -4.043 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.475 -9.357 -2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.255 -10.913 -2.562 1.00 0.00 H new ATOM 823 N THR A 57 -1.410 -10.677 -0.901 1.00 0.00 N ATOM 824 CA THR A 57 -0.734 -11.076 0.326 1.00 0.00 C ATOM 825 C THR A 57 -0.794 -9.970 1.373 1.00 0.00 C ATOM 826 O THR A 57 -0.405 -8.832 1.111 1.00 0.00 O ATOM 827 CB THR A 57 0.741 -11.438 0.063 1.00 0.00 C ATOM 828 OG1 THR A 57 0.821 -12.514 -0.878 1.00 0.00 O ATOM 829 CG2 THR A 57 1.441 -11.833 1.354 1.00 0.00 C ATOM 0 H THR A 57 -0.805 -10.230 -1.590 1.00 0.00 H new ATOM 0 HA THR A 57 -1.256 -11.956 0.701 1.00 0.00 H new ATOM 0 HB THR A 57 1.240 -10.560 -0.347 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.469 -12.219 -1.743 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.480 -12.084 1.142 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.405 -11.001 2.057 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.940 -12.698 1.789 1.00 0.00 H new ATOM 837 N VAL A 58 -1.285 -10.311 2.561 1.00 0.00 N ATOM 838 CA VAL A 58 -1.395 -9.346 3.649 1.00 0.00 C ATOM 839 C VAL A 58 -0.023 -8.823 4.059 1.00 0.00 C ATOM 840 O VAL A 58 0.766 -9.538 4.678 1.00 0.00 O ATOM 841 CB VAL A 58 -2.086 -9.964 4.878 1.00 0.00 C ATOM 842 CG1 VAL A 58 -2.082 -8.984 6.041 1.00 0.00 C ATOM 843 CG2 VAL A 58 -3.506 -10.389 4.533 1.00 0.00 C ATOM 0 H VAL A 58 -1.613 -11.248 2.794 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.000 -8.518 3.280 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.529 -10.851 5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.575 -9.438 6.901 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.054 -8.733 6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.615 -8.077 5.755 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.980 -10.824 5.413 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.077 -9.520 4.206 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.480 -11.128 3.732 1.00 0.00 H new ATOM 853 N VAL A 59 0.255 -7.570 3.712 1.00 0.00 N ATOM 854 CA VAL A 59 1.531 -6.949 4.047 1.00 0.00 C ATOM 855 C VAL A 59 1.436 -6.166 5.351 1.00 0.00 C ATOM 856 O VAL A 59 1.106 -4.980 5.351 1.00 0.00 O ATOM 857 CB VAL A 59 2.006 -6.005 2.926 1.00 0.00 C ATOM 858 CG1 VAL A 59 3.310 -5.326 3.318 1.00 0.00 C ATOM 859 CG2 VAL A 59 2.164 -6.767 1.619 1.00 0.00 C ATOM 0 H VAL A 59 -0.386 -6.965 3.199 1.00 0.00 H new ATOM 0 HA VAL A 59 2.255 -7.755 4.164 1.00 0.00 H new ATOM 0 HB VAL A 59 1.251 -5.233 2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.631 -4.663 2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.159 -4.746 4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.076 -6.082 3.492 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.500 -6.085 0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.899 -7.562 1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.206 -7.202 1.333 1.00 0.00 H new ATOM 869 N ASP A 60 1.728 -6.836 6.460 1.00 0.00 N ATOM 870 CA ASP A 60 1.676 -6.202 7.771 1.00 0.00 C ATOM 871 C ASP A 60 3.051 -6.208 8.432 1.00 0.00 C ATOM 872 O ASP A 60 3.165 -6.150 9.656 1.00 0.00 O ATOM 873 CB ASP A 60 0.664 -6.917 8.669 1.00 0.00 C ATOM 874 CG ASP A 60 -0.768 -6.548 8.333 1.00 0.00 C ATOM 875 OD1 ASP A 60 -0.979 -5.479 7.722 1.00 0.00 O ATOM 876 OD2 ASP A 60 -1.678 -7.330 8.680 1.00 0.00 O ATOM 0 H ASP A 60 2.003 -7.818 6.477 1.00 0.00 H new ATOM 0 HA ASP A 60 1.361 -5.167 7.634 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.792 -7.995 8.569 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.866 -6.667 9.711 1.00 0.00 H new ATOM 881 N THR A 61 4.096 -6.279 7.612 1.00 0.00 N ATOM 882 CA THR A 61 5.464 -6.294 8.115 1.00 0.00 C ATOM 883 C THR A 61 6.325 -5.263 7.397 1.00 0.00 C ATOM 884 O THR A 61 6.332 -5.194 6.168 1.00 0.00 O ATOM 885 CB THR A 61 6.105 -7.685 7.954 1.00 0.00 C ATOM 886 OG1 THR A 61 5.693 -8.275 6.717 1.00 0.00 O ATOM 887 CG2 THR A 61 5.720 -8.597 9.109 1.00 0.00 C ATOM 0 H THR A 61 4.020 -6.327 6.596 1.00 0.00 H new ATOM 0 HA THR A 61 5.414 -6.045 9.175 1.00 0.00 H new ATOM 0 HB THR A 61 7.188 -7.562 7.955 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.107 -9.158 6.622 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.185 -9.573 8.972 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.062 -8.160 10.047 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.636 -8.712 9.136 1.00 0.00 H new ATOM 895 N GLU A 62 7.053 -4.463 8.171 1.00 0.00 N ATOM 896 CA GLU A 62 7.918 -3.435 7.606 1.00 0.00 C ATOM 897 C GLU A 62 9.077 -4.061 6.836 1.00 0.00 C ATOM 898 O GLU A 62 9.496 -3.549 5.799 1.00 0.00 O ATOM 899 CB GLU A 62 8.459 -2.528 8.713 1.00 0.00 C ATOM 900 CG GLU A 62 9.237 -1.330 8.193 1.00 0.00 C ATOM 901 CD GLU A 62 9.943 -0.568 9.299 1.00 0.00 C ATOM 902 OE1 GLU A 62 9.480 -0.637 10.456 1.00 0.00 O ATOM 903 OE2 GLU A 62 10.959 0.096 9.005 1.00 0.00 O ATOM 0 H GLU A 62 7.060 -4.508 9.190 1.00 0.00 H new ATOM 0 HA GLU A 62 7.325 -2.838 6.913 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.626 -2.174 9.320 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.105 -3.113 9.368 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.973 -1.668 7.463 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.556 -0.658 7.671 1.00 0.00 H new ATOM 910 N GLU A 63 9.591 -5.173 7.354 1.00 0.00 N ATOM 911 CA GLU A 63 10.702 -5.869 6.716 1.00 0.00 C ATOM 912 C GLU A 63 10.336 -6.294 5.296 1.00 0.00 C ATOM 913 O GLU A 63 11.187 -6.327 4.408 1.00 0.00 O ATOM 914 CB GLU A 63 11.105 -7.095 7.539 1.00 0.00 C ATOM 915 CG GLU A 63 10.008 -8.141 7.649 1.00 0.00 C ATOM 916 CD GLU A 63 10.480 -9.410 8.332 1.00 0.00 C ATOM 917 OE1 GLU A 63 11.460 -10.015 7.847 1.00 0.00 O ATOM 918 OE2 GLU A 63 9.870 -9.799 9.350 1.00 0.00 O ATOM 0 H GLU A 63 9.256 -5.610 8.212 1.00 0.00 H new ATOM 0 HA GLU A 63 11.546 -5.181 6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.986 -7.551 7.088 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.390 -6.772 8.540 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.168 -7.724 8.205 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.641 -8.384 6.652 1.00 0.00 H new ATOM 925 N PHE A 64 9.064 -6.619 5.092 1.00 0.00 N ATOM 926 CA PHE A 64 8.583 -7.043 3.783 1.00 0.00 C ATOM 927 C PHE A 64 8.242 -5.837 2.912 1.00 0.00 C ATOM 928 O PHE A 64 8.347 -5.893 1.685 1.00 0.00 O ATOM 929 CB PHE A 64 7.354 -7.941 3.933 1.00 0.00 C ATOM 930 CG PHE A 64 6.853 -8.496 2.630 1.00 0.00 C ATOM 931 CD1 PHE A 64 7.743 -8.913 1.653 1.00 0.00 C ATOM 932 CD2 PHE A 64 5.495 -8.601 2.382 1.00 0.00 C ATOM 933 CE1 PHE A 64 7.286 -9.425 0.453 1.00 0.00 C ATOM 934 CE2 PHE A 64 5.033 -9.112 1.184 1.00 0.00 C ATOM 935 CZ PHE A 64 5.929 -9.523 0.218 1.00 0.00 C ATOM 0 H PHE A 64 8.347 -6.597 5.817 1.00 0.00 H new ATOM 0 HA PHE A 64 9.379 -7.607 3.297 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.597 -8.767 4.601 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.554 -7.372 4.408 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.806 -8.837 1.831 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.789 -8.280 3.133 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.990 -9.748 -0.300 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.971 -9.190 1.004 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.569 -9.920 -0.720 1.00 0.00 H new ATOM 945 N PHE A 65 7.835 -4.748 3.554 1.00 0.00 N ATOM 946 CA PHE A 65 7.478 -3.528 2.838 1.00 0.00 C ATOM 947 C PHE A 65 8.726 -2.745 2.441 1.00 0.00 C ATOM 948 O PHE A 65 8.723 -2.014 1.450 1.00 0.00 O ATOM 949 CB PHE A 65 6.566 -2.653 3.702 1.00 0.00 C ATOM 950 CG PHE A 65 6.668 -1.188 3.387 1.00 0.00 C ATOM 951 CD1 PHE A 65 7.819 -0.478 3.689 1.00 0.00 C ATOM 952 CD2 PHE A 65 5.611 -0.520 2.788 1.00 0.00 C ATOM 953 CE1 PHE A 65 7.914 0.869 3.400 1.00 0.00 C ATOM 954 CE2 PHE A 65 5.701 0.827 2.496 1.00 0.00 C ATOM 955 CZ PHE A 65 6.854 1.523 2.803 1.00 0.00 C ATOM 0 H PHE A 65 7.744 -4.684 4.568 1.00 0.00 H new ATOM 0 HA PHE A 65 6.945 -3.812 1.931 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.533 -2.974 3.567 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.814 -2.809 4.752 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.651 -0.984 4.156 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.707 -1.059 2.547 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.817 1.411 3.641 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.871 1.335 2.028 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.926 2.577 2.577 1.00 0.00 H new ATOM 965 N GLN A 66 9.790 -2.903 3.221 1.00 0.00 N ATOM 966 CA GLN A 66 11.044 -2.210 2.952 1.00 0.00 C ATOM 967 C GLN A 66 11.755 -2.820 1.748 1.00 0.00 C ATOM 968 O GLN A 66 12.599 -2.179 1.121 1.00 0.00 O ATOM 969 CB GLN A 66 11.955 -2.265 4.179 1.00 0.00 C ATOM 970 CG GLN A 66 11.484 -1.387 5.327 1.00 0.00 C ATOM 971 CD GLN A 66 11.997 0.036 5.223 1.00 0.00 C ATOM 972 OE1 GLN A 66 12.892 0.328 4.431 1.00 0.00 O ATOM 973 NE2 GLN A 66 11.431 0.929 6.026 1.00 0.00 N ATOM 0 H GLN A 66 9.809 -3.505 4.044 1.00 0.00 H new ATOM 0 HA GLN A 66 10.814 -1.169 2.726 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.022 -3.296 4.525 1.00 0.00 H new ATOM 0 HB3 GLN A 66 12.960 -1.960 3.889 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.394 -1.376 5.347 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.816 -1.821 6.270 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.692 0.642 6.667 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.735 1.902 6.002 1.00 0.00 H new ATOM 982 N THR A 67 11.410 -4.064 1.430 1.00 0.00 N ATOM 983 CA THR A 67 12.015 -4.761 0.303 1.00 0.00 C ATOM 984 C THR A 67 11.324 -4.396 -1.006 1.00 0.00 C ATOM 985 O THR A 67 11.962 -4.312 -2.055 1.00 0.00 O ATOM 986 CB THR A 67 11.960 -6.289 0.492 1.00 0.00 C ATOM 987 OG1 THR A 67 10.599 -6.734 0.482 1.00 0.00 O ATOM 988 CG2 THR A 67 12.624 -6.697 1.799 1.00 0.00 C ATOM 0 H THR A 67 10.714 -4.609 1.938 1.00 0.00 H new ATOM 0 HA THR A 67 13.057 -4.445 0.260 1.00 0.00 H new ATOM 0 HB THR A 67 12.500 -6.755 -0.332 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.081 -6.218 1.134 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.573 -7.780 1.911 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.667 -6.382 1.791 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.108 -6.222 2.633 1.00 0.00 H new ATOM 996 N LEU A 68 10.015 -4.180 -0.937 1.00 0.00 N ATOM 997 CA LEU A 68 9.235 -3.823 -2.117 1.00 0.00 C ATOM 998 C LEU A 68 9.875 -2.654 -2.859 1.00 0.00 C ATOM 999 O LEU A 68 10.320 -1.685 -2.245 1.00 0.00 O ATOM 1000 CB LEU A 68 7.803 -3.466 -1.717 1.00 0.00 C ATOM 1001 CG LEU A 68 7.007 -4.567 -1.015 1.00 0.00 C ATOM 1002 CD1 LEU A 68 5.629 -4.059 -0.617 1.00 0.00 C ATOM 1003 CD2 LEU A 68 6.888 -5.792 -1.908 1.00 0.00 C ATOM 0 H LEU A 68 9.471 -4.246 -0.076 1.00 0.00 H new ATOM 0 HA LEU A 68 9.215 -4.685 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.837 -2.596 -1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.260 -3.169 -2.614 1.00 0.00 H new ATOM 0 HG LEU A 68 7.542 -4.853 -0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.077 -4.856 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.735 -3.212 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.086 -3.744 -1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.319 -6.565 -1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.377 -5.521 -2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.883 -6.170 -2.142 1.00 0.00 H new ATOM 1015 N GLY A 69 9.915 -2.752 -4.185 1.00 0.00 N ATOM 1016 CA GLY A 69 10.499 -1.695 -4.989 1.00 0.00 C ATOM 1017 C GLY A 69 9.707 -0.404 -4.917 1.00 0.00 C ATOM 1018 O GLY A 69 8.773 -0.286 -4.124 1.00 0.00 O ATOM 0 H GLY A 69 9.553 -3.544 -4.716 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.520 -1.510 -4.654 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.559 -2.023 -6.027 1.00 0.00 H new ATOM 1022 N ASP A 70 10.079 0.563 -5.747 1.00 0.00 N ATOM 1023 CA ASP A 70 9.394 1.851 -5.775 1.00 0.00 C ATOM 1024 C ASP A 70 8.116 1.770 -6.601 1.00 0.00 C ATOM 1025 O ASP A 70 8.038 1.017 -7.571 1.00 0.00 O ATOM 1026 CB ASP A 70 10.318 2.930 -6.345 1.00 0.00 C ATOM 1027 CG ASP A 70 11.392 3.351 -5.362 1.00 0.00 C ATOM 1028 OD1 ASP A 70 11.048 3.654 -4.200 1.00 0.00 O ATOM 1029 OD2 ASP A 70 12.577 3.377 -5.755 1.00 0.00 O ATOM 0 H ASP A 70 10.850 0.481 -6.409 1.00 0.00 H new ATOM 0 HA ASP A 70 9.126 2.115 -4.752 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.788 2.558 -7.255 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.725 3.801 -6.626 1.00 0.00 H new ATOM 1034 N ASN A 71 7.114 2.551 -6.210 1.00 0.00 N ATOM 1035 CA ASN A 71 5.837 2.566 -6.914 1.00 0.00 C ATOM 1036 C ASN A 71 5.185 1.186 -6.887 1.00 0.00 C ATOM 1037 O ASN A 71 4.710 0.692 -7.911 1.00 0.00 O ATOM 1038 CB ASN A 71 6.032 3.022 -8.361 1.00 0.00 C ATOM 1039 CG ASN A 71 6.806 4.324 -8.456 1.00 0.00 C ATOM 1040 OD1 ASN A 71 6.245 5.406 -8.281 1.00 0.00 O ATOM 1041 ND2 ASN A 71 8.100 4.223 -8.736 1.00 0.00 N ATOM 0 H ASN A 71 7.162 3.182 -5.410 1.00 0.00 H new ATOM 0 HA ASN A 71 5.179 3.270 -6.405 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.560 2.247 -8.916 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.058 3.146 -8.835 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.672 5.064 -8.814 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.522 3.305 -8.873 1.00 0.00 H new ATOM 1048 N THR A 72 5.165 0.569 -5.710 1.00 0.00 N ATOM 1049 CA THR A 72 4.572 -0.753 -5.550 1.00 0.00 C ATOM 1050 C THR A 72 3.051 -0.669 -5.479 1.00 0.00 C ATOM 1051 O THR A 72 2.498 0.262 -4.892 1.00 0.00 O ATOM 1052 CB THR A 72 5.096 -1.454 -4.283 1.00 0.00 C ATOM 1053 OG1 THR A 72 6.528 -1.446 -4.276 1.00 0.00 O ATOM 1054 CG2 THR A 72 4.591 -2.886 -4.209 1.00 0.00 C ATOM 0 H THR A 72 5.553 0.964 -4.853 1.00 0.00 H new ATOM 0 HA THR A 72 4.860 -1.336 -6.424 1.00 0.00 H new ATOM 0 HB THR A 72 4.726 -0.910 -3.414 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.849 -0.527 -4.164 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.974 -3.361 -3.306 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.501 -2.887 -4.185 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.935 -3.439 -5.083 1.00 0.00 H new ATOM 1062 N HIS A 73 2.381 -1.647 -6.079 1.00 0.00 N ATOM 1063 CA HIS A 73 0.923 -1.684 -6.083 1.00 0.00 C ATOM 1064 C HIS A 73 0.393 -2.342 -4.812 1.00 0.00 C ATOM 1065 O HIS A 73 1.031 -3.233 -4.250 1.00 0.00 O ATOM 1066 CB HIS A 73 0.413 -2.437 -7.311 1.00 0.00 C ATOM 1067 CG HIS A 73 0.201 -1.561 -8.506 1.00 0.00 C ATOM 1068 ND1 HIS A 73 0.897 -1.716 -9.686 1.00 0.00 N ATOM 1069 CD2 HIS A 73 -0.638 -0.516 -8.699 1.00 0.00 C ATOM 1070 CE1 HIS A 73 0.497 -0.802 -10.554 1.00 0.00 C ATOM 1071 NE2 HIS A 73 -0.433 -0.062 -9.979 1.00 0.00 N ATOM 0 H HIS A 73 2.824 -2.424 -6.569 1.00 0.00 H new ATOM 0 HA HIS A 73 0.559 -0.657 -6.119 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.125 -3.221 -7.568 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.527 -2.929 -7.061 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.338 -0.115 -7.981 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.868 -0.681 -11.561 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -0.921 0.721 -10.415 1.00 0.00 H new ATOM 1080 N PHE A 74 -0.775 -1.896 -4.364 1.00 0.00 N ATOM 1081 CA PHE A 74 -1.390 -2.440 -3.158 1.00 0.00 C ATOM 1082 C PHE A 74 -2.910 -2.474 -3.289 1.00 0.00 C ATOM 1083 O PHE A 74 -3.482 -1.830 -4.168 1.00 0.00 O ATOM 1084 CB PHE A 74 -0.991 -1.610 -1.937 1.00 0.00 C ATOM 1085 CG PHE A 74 0.482 -1.649 -1.641 1.00 0.00 C ATOM 1086 CD1 PHE A 74 1.099 -2.837 -1.284 1.00 0.00 C ATOM 1087 CD2 PHE A 74 1.249 -0.497 -1.720 1.00 0.00 C ATOM 1088 CE1 PHE A 74 2.453 -2.875 -1.010 1.00 0.00 C ATOM 1089 CE2 PHE A 74 2.604 -0.529 -1.447 1.00 0.00 C ATOM 1090 CZ PHE A 74 3.206 -1.720 -1.094 1.00 0.00 C ATOM 0 H PHE A 74 -1.315 -1.159 -4.817 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.032 -3.461 -3.028 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.294 -0.575 -2.096 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.538 -1.972 -1.067 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.515 -3.743 -1.219 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.783 0.437 -1.998 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.922 -3.807 -0.730 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.190 0.376 -1.510 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.265 -1.749 -0.884 1.00 0.00 H new ATOM 1100 N MET A 75 -3.557 -3.230 -2.410 1.00 0.00 N ATOM 1101 CA MET A 75 -5.011 -3.347 -2.426 1.00 0.00 C ATOM 1102 C MET A 75 -5.586 -3.190 -1.022 1.00 0.00 C ATOM 1103 O MET A 75 -5.207 -3.915 -0.101 1.00 0.00 O ATOM 1104 CB MET A 75 -5.428 -4.698 -3.012 1.00 0.00 C ATOM 1105 CG MET A 75 -6.887 -5.043 -2.764 1.00 0.00 C ATOM 1106 SD MET A 75 -7.458 -6.421 -3.778 1.00 0.00 S ATOM 1107 CE MET A 75 -7.819 -5.580 -5.319 1.00 0.00 C ATOM 0 H MET A 75 -3.098 -3.771 -1.677 1.00 0.00 H new ATOM 0 HA MET A 75 -5.408 -2.548 -3.052 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.242 -4.692 -4.086 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.800 -5.480 -2.584 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.024 -5.291 -1.711 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.503 -4.167 -2.968 1.00 0.00 H new ATOM 0 HE1 MET A 75 -8.898 -5.542 -5.469 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.422 -4.565 -5.281 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.357 -6.120 -6.145 1.00 0.00 H new ATOM 1117 N ILE A 76 -6.501 -2.239 -0.865 1.00 0.00 N ATOM 1118 CA ILE A 76 -7.127 -1.988 0.426 1.00 0.00 C ATOM 1119 C ILE A 76 -8.511 -2.623 0.499 1.00 0.00 C ATOM 1120 O ILE A 76 -9.371 -2.361 -0.342 1.00 0.00 O ATOM 1121 CB ILE A 76 -7.251 -0.478 0.708 1.00 0.00 C ATOM 1122 CG1 ILE A 76 -7.299 -0.221 2.216 1.00 0.00 C ATOM 1123 CG2 ILE A 76 -8.489 0.086 0.029 1.00 0.00 C ATOM 1124 CD1 ILE A 76 -5.937 -0.011 2.837 1.00 0.00 C ATOM 0 H ILE A 76 -6.825 -1.630 -1.616 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.483 -2.439 1.181 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.375 0.027 0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -7.916 0.657 2.407 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.786 -1.065 2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.564 1.153 0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.416 -0.070 -1.047 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.376 -0.421 0.410 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.048 0.166 3.907 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.324 -0.898 2.677 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.456 0.851 2.375 1.00 0.00 H new ATOM 1136 N LEU A 77 -8.720 -3.458 1.511 1.00 0.00 N ATOM 1137 CA LEU A 77 -10.002 -4.130 1.696 1.00 0.00 C ATOM 1138 C LEU A 77 -10.672 -3.679 2.990 1.00 0.00 C ATOM 1139 O LEU A 77 -10.014 -3.516 4.017 1.00 0.00 O ATOM 1140 CB LEU A 77 -9.808 -5.647 1.711 1.00 0.00 C ATOM 1141 CG LEU A 77 -9.035 -6.237 0.530 1.00 0.00 C ATOM 1142 CD1 LEU A 77 -8.785 -7.722 0.744 1.00 0.00 C ATOM 1143 CD2 LEU A 77 -9.790 -6.002 -0.771 1.00 0.00 C ATOM 0 H LEU A 77 -8.019 -3.686 2.216 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.649 -3.861 0.861 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.289 -5.918 2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.790 -6.118 1.748 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.070 -5.734 0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.234 -8.124 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -8.203 -7.866 1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.739 -8.242 0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.226 -6.428 -1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.769 -6.478 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.916 -4.931 -0.930 1.00 0.00 H new ATOM 1155 N GLU A 78 -11.985 -3.479 2.932 1.00 0.00 N ATOM 1156 CA GLU A 78 -12.744 -3.048 4.100 1.00 0.00 C ATOM 1157 C GLU A 78 -13.256 -4.250 4.890 1.00 0.00 C ATOM 1158 O GLU A 78 -13.098 -5.396 4.471 1.00 0.00 O ATOM 1159 CB GLU A 78 -13.919 -2.165 3.675 1.00 0.00 C ATOM 1160 CG GLU A 78 -13.497 -0.889 2.967 1.00 0.00 C ATOM 1161 CD GLU A 78 -14.609 -0.292 2.128 1.00 0.00 C ATOM 1162 OE1 GLU A 78 -15.770 -0.298 2.590 1.00 0.00 O ATOM 1163 OE2 GLU A 78 -14.321 0.180 1.008 1.00 0.00 O ATOM 0 H GLU A 78 -12.545 -3.608 2.089 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.078 -2.470 4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.572 -2.737 3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.504 -1.905 4.557 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.173 -0.158 3.707 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.638 -1.099 2.329 1.00 0.00 H new ATOM 1170 N LYS A 79 -13.869 -3.978 6.037 1.00 0.00 N ATOM 1171 CA LYS A 79 -14.406 -5.034 6.888 1.00 0.00 C ATOM 1172 C LYS A 79 -15.493 -5.819 6.159 1.00 0.00 C ATOM 1173 O LYS A 79 -16.678 -5.511 6.275 1.00 0.00 O ATOM 1174 CB LYS A 79 -14.970 -4.440 8.180 1.00 0.00 C ATOM 1175 CG LYS A 79 -15.482 -5.484 9.156 1.00 0.00 C ATOM 1176 CD LYS A 79 -16.481 -4.890 10.134 1.00 0.00 C ATOM 1177 CE LYS A 79 -15.783 -4.216 11.306 1.00 0.00 C ATOM 1178 NZ LYS A 79 -16.751 -3.748 12.335 1.00 0.00 N ATOM 0 H LYS A 79 -14.007 -3.034 6.399 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.593 -5.716 7.135 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.195 -3.849 8.667 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.783 -3.757 7.932 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.951 -6.299 8.605 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.644 -5.912 9.706 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -17.109 -4.164 9.618 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -17.140 -5.675 10.505 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.080 -4.914 11.760 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.201 -3.369 10.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.235 -3.295 13.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -17.406 -3.062 11.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -17.289 -4.560 12.700 1.00 0.00 H new ATOM 1192 N GLY A 80 -15.081 -6.837 5.411 1.00 0.00 N ATOM 1193 CA GLY A 80 -16.031 -7.652 4.677 1.00 0.00 C ATOM 1194 C GLY A 80 -15.712 -7.725 3.197 1.00 0.00 C ATOM 1195 O GLY A 80 -16.614 -7.736 2.360 1.00 0.00 O ATOM 0 H GLY A 80 -14.105 -7.112 5.300 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -16.039 -8.659 5.094 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.033 -7.244 4.810 1.00 0.00 H new ATOM 1199 N GLN A 81 -14.423 -7.776 2.874 1.00 0.00 N ATOM 1200 CA GLN A 81 -13.987 -7.846 1.484 1.00 0.00 C ATOM 1201 C GLN A 81 -12.701 -8.656 1.357 1.00 0.00 C ATOM 1202 O GLN A 81 -11.916 -8.746 2.302 1.00 0.00 O ATOM 1203 CB GLN A 81 -13.775 -6.439 0.922 1.00 0.00 C ATOM 1204 CG GLN A 81 -15.034 -5.587 0.925 1.00 0.00 C ATOM 1205 CD GLN A 81 -15.027 -4.532 -0.164 1.00 0.00 C ATOM 1206 OE1 GLN A 81 -16.000 -4.380 -0.902 1.00 0.00 O ATOM 1207 NE2 GLN A 81 -13.926 -3.796 -0.270 1.00 0.00 N ATOM 0 H GLN A 81 -13.664 -7.770 3.555 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.768 -8.345 0.910 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -13.004 -5.936 1.506 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.401 -6.517 -0.099 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.904 -6.231 0.796 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -15.137 -5.101 1.895 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.143 -3.956 0.363 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.864 -3.071 -0.985 1.00 0.00 H new ATOM 1216 N LYS A 82 -12.491 -9.244 0.185 1.00 0.00 N ATOM 1217 CA LYS A 82 -11.299 -10.046 -0.067 1.00 0.00 C ATOM 1218 C LYS A 82 -10.554 -9.543 -1.297 1.00 0.00 C ATOM 1219 O LYS A 82 -11.079 -8.736 -2.065 1.00 0.00 O ATOM 1220 CB LYS A 82 -11.680 -11.517 -0.254 1.00 0.00 C ATOM 1221 CG LYS A 82 -12.783 -11.734 -1.276 1.00 0.00 C ATOM 1222 CD LYS A 82 -12.230 -11.778 -2.691 1.00 0.00 C ATOM 1223 CE LYS A 82 -13.141 -12.566 -3.621 1.00 0.00 C ATOM 1224 NZ LYS A 82 -14.445 -11.879 -3.833 1.00 0.00 N ATOM 0 H LYS A 82 -13.131 -9.181 -0.607 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.640 -9.954 0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.796 -12.076 -0.561 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.999 -11.926 0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.304 -12.667 -1.059 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.518 -10.933 -1.196 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.113 -10.762 -3.069 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.238 -12.231 -2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -12.645 -12.708 -4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.316 -13.557 -3.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.037 -12.447 -4.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.930 -11.766 -2.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.280 -10.943 -4.255 1.00 0.00 H new ATOM 1238 N TRP A 83 -9.330 -10.024 -1.480 1.00 0.00 N ATOM 1239 CA TRP A 83 -8.513 -9.623 -2.621 1.00 0.00 C ATOM 1240 C TRP A 83 -8.874 -10.433 -3.861 1.00 0.00 C ATOM 1241 O TRP A 83 -9.287 -11.588 -3.760 1.00 0.00 O ATOM 1242 CB TRP A 83 -7.029 -9.796 -2.297 1.00 0.00 C ATOM 1243 CG TRP A 83 -6.155 -9.828 -3.515 1.00 0.00 C ATOM 1244 CD1 TRP A 83 -5.369 -8.815 -3.986 1.00 0.00 C ATOM 1245 CD2 TRP A 83 -5.980 -10.925 -4.416 1.00 0.00 C ATOM 1246 NE1 TRP A 83 -4.716 -9.218 -5.126 1.00 0.00 N ATOM 1247 CE2 TRP A 83 -5.074 -10.509 -5.410 1.00 0.00 C ATOM 1248 CE3 TRP A 83 -6.500 -12.221 -4.480 1.00 0.00 C ATOM 1249 CZ2 TRP A 83 -4.679 -11.341 -6.453 1.00 0.00 C ATOM 1250 CZ3 TRP A 83 -6.107 -13.047 -5.515 1.00 0.00 C ATOM 1251 CH2 TRP A 83 -5.204 -12.606 -6.490 1.00 0.00 C ATOM 0 H TRP A 83 -8.881 -10.692 -0.854 1.00 0.00 H new ATOM 0 HA TRP A 83 -8.712 -8.571 -2.827 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -6.708 -8.980 -1.650 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -6.892 -10.720 -1.736 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.275 -7.841 -3.530 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.070 -8.648 -5.672 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -7.197 -12.571 -3.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.983 -11.002 -7.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -6.503 -14.050 -5.573 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.916 -13.276 -7.287 1.00 0.00 H new