USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 671 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 78 THR OG1 : rot -72:sc= 0.00881 USER MOD Set 1.2: A 91 SER OG : rot 180:sc= 0.00785 USER MOD Set 2.1: A 67 SER OG : rot 180:sc= -0.0574 USER MOD Set 2.2: A 68 HIS :FLIP no HD1:sc= -1.44 F(o=-2.7!,f=-1.5) USER MOD Set 3.1: A 43 ASN : amide:sc= -2.45 K(o=-1.9,f=-3.8!) USER MOD Set 3.2: A 45 THR OG1 : rot -39:sc= 0.558 USER MOD Set 4.1: A 35 SER OG : rot -42:sc= 1.08 USER MOD Set 4.2: A 83 ASN :FLIP amide:sc= -1.82! C(o=-4.1!,f=-0.74!) USER MOD Set 5.1: A 29 CYS SG : rot -112:sc= 0.863 USER MOD Set 5.2: A 79 CYS SG : rot -179:sc= 0.555 USER MOD Set 6.1: A 24 MET CE :methyl -112:sc= -0.713 (180deg=0) USER MOD Set 6.2: A 65 ASN : amide:sc= -2.1 K(o=-2.8,f=-3.5!) USER MOD Single : A 11 MET CE :methyl -112:sc= -1.78 (180deg=-5.52!) USER MOD Single : A 18 ASN : amide:sc= -1.4 K(o=-1.4,f=-2.5!) USER MOD Single : A 20 SER OG : rot 18:sc= 0.936 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 120:sc= -0.192 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0949 USER MOD Single : A 49 HIS : no HD1:sc= -0.0909 X(o=-0.091,f=-0.0093) USER MOD Single : A 51 SER OG : rot 140:sc= -0.0211 USER MOD Single : A 53 HIS : no HD1:sc= -0.803 K(o=-0.8,f=-4.8!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.832 K(o=-0.83,f=-1.9) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.92 USER MOD Single : A 77 TYR OH : rot -35:sc= 1.21 USER MOD Single : A 80 MET CE :methyl -179:sc= -3.93! (180deg=-4.1!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -2.77! C(o=-2.8!,f=-6.2!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.4 K(o=-0.4,f=-2.6!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.563 K(o=-0.56,f=-3.7!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.0848 USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 10 12.758 0.195 -5.955 1.00 0.00 N ATOM 101 CA ILE A 10 11.349 0.549 -6.067 1.00 0.00 C ATOM 102 C ILE A 10 11.105 1.466 -7.261 1.00 0.00 C ATOM 103 O ILE A 10 11.094 2.689 -7.125 1.00 0.00 O ATOM 104 CB ILE A 10 10.839 1.242 -4.790 1.00 0.00 C ATOM 105 CG1 ILE A 10 11.039 0.332 -3.576 1.00 0.00 C ATOM 106 CG2 ILE A 10 9.373 1.618 -4.941 1.00 0.00 C ATOM 107 CD1 ILE A 10 10.856 1.042 -2.252 1.00 0.00 C ATOM 0 HA ILE A 10 10.801 -0.382 -6.209 1.00 0.00 H new ATOM 0 HB ILE A 10 11.414 2.155 -4.635 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.335 -0.498 -3.634 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.041 -0.096 -3.614 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.027 2.107 -4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.257 2.298 -5.785 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.783 0.719 -5.117 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.013 0.336 -1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.578 1.855 -2.172 1.00 0.00 H new ATOM 0 HD13 ILE A 10 9.846 1.447 -2.193 1.00 0.00 H new ATOM 119 N MET A 11 10.910 0.866 -8.431 1.00 0.00 N ATOM 120 CA MET A 11 10.664 1.629 -9.649 1.00 0.00 C ATOM 121 C MET A 11 9.731 2.804 -9.375 1.00 0.00 C ATOM 122 O MET A 11 10.099 3.962 -9.576 1.00 0.00 O ATOM 123 CB MET A 11 10.063 0.727 -10.729 1.00 0.00 C ATOM 124 CG MET A 11 10.985 -0.403 -11.159 1.00 0.00 C ATOM 125 SD MET A 11 10.153 -1.621 -12.196 1.00 0.00 S ATOM 126 CE MET A 11 9.139 -2.463 -10.982 1.00 0.00 C ATOM 0 H MET A 11 10.918 -0.146 -8.561 1.00 0.00 H new ATOM 0 HA MET A 11 11.618 2.020 -10.002 1.00 0.00 H new ATOM 0 HB2 MET A 11 9.130 0.303 -10.359 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.814 1.333 -11.600 1.00 0.00 H new ATOM 0 HG2 MET A 11 11.834 0.012 -11.703 1.00 0.00 H new ATOM 0 HG3 MET A 11 11.385 -0.898 -10.274 1.00 0.00 H new ATOM 0 HE1 MET A 11 9.500 -3.483 -10.851 1.00 0.00 H new ATOM 0 HE2 MET A 11 9.194 -1.933 -10.031 1.00 0.00 H new ATOM 0 HE3 MET A 11 8.105 -2.486 -11.325 1.00 0.00 H new ATOM 136 N ASP A 12 8.522 2.500 -8.915 1.00 0.00 N ATOM 137 CA ASP A 12 7.537 3.531 -8.612 1.00 0.00 C ATOM 138 C ASP A 12 7.107 3.459 -7.150 1.00 0.00 C ATOM 139 O ASP A 12 6.672 2.413 -6.671 1.00 0.00 O ATOM 140 CB ASP A 12 6.317 3.384 -9.523 1.00 0.00 C ATOM 141 CG ASP A 12 6.455 4.177 -10.808 1.00 0.00 C ATOM 142 OD1 ASP A 12 6.592 5.416 -10.728 1.00 0.00 O ATOM 143 OD2 ASP A 12 6.426 3.560 -11.893 1.00 0.00 O ATOM 0 H ASP A 12 8.201 1.547 -8.744 1.00 0.00 H new ATOM 0 HA ASP A 12 7.998 4.503 -8.789 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.171 2.331 -9.763 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.426 3.715 -8.989 1.00 0.00 H new ATOM 148 N ALA A 13 7.232 4.580 -6.446 1.00 0.00 N ATOM 149 CA ALA A 13 6.856 4.644 -5.039 1.00 0.00 C ATOM 150 C ALA A 13 5.487 5.293 -4.867 1.00 0.00 C ATOM 151 O ALA A 13 5.092 6.178 -5.626 1.00 0.00 O ATOM 152 CB ALA A 13 7.907 5.406 -4.246 1.00 0.00 C ATOM 0 H ALA A 13 7.591 5.456 -6.827 1.00 0.00 H new ATOM 0 HA ALA A 13 6.797 3.625 -4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.613 5.446 -3.197 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.868 4.899 -4.335 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.994 6.420 -4.637 1.00 0.00 H new ATOM 158 N PRO A 14 4.743 4.844 -3.845 1.00 0.00 N ATOM 159 CA PRO A 14 3.406 5.367 -3.549 1.00 0.00 C ATOM 160 C PRO A 14 3.447 6.796 -3.019 1.00 0.00 C ATOM 161 O PRO A 14 4.484 7.264 -2.549 1.00 0.00 O ATOM 162 CB PRO A 14 2.881 4.412 -2.474 1.00 0.00 C ATOM 163 CG PRO A 14 4.105 3.868 -1.821 1.00 0.00 C ATOM 164 CD PRO A 14 5.150 3.791 -2.900 1.00 0.00 C ATOM 0 HA PRO A 14 2.780 5.413 -4.440 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.248 4.933 -1.756 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.278 3.616 -2.911 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.432 4.514 -1.006 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.914 2.884 -1.392 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.150 3.971 -2.505 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.166 2.810 -3.374 1.00 0.00 H new ATOM 172 N ARG A 15 2.313 7.484 -3.099 1.00 0.00 N ATOM 173 CA ARG A 15 2.220 8.861 -2.627 1.00 0.00 C ATOM 174 C ARG A 15 0.911 9.092 -1.878 1.00 0.00 C ATOM 175 O ARG A 15 -0.122 8.517 -2.221 1.00 0.00 O ATOM 176 CB ARG A 15 2.325 9.833 -3.804 1.00 0.00 C ATOM 177 CG ARG A 15 2.658 11.257 -3.389 1.00 0.00 C ATOM 178 CD ARG A 15 1.399 12.071 -3.129 1.00 0.00 C ATOM 179 NE ARG A 15 0.627 12.289 -4.350 1.00 0.00 N ATOM 180 CZ ARG A 15 1.005 13.113 -5.321 1.00 0.00 C ATOM 181 NH1 ARG A 15 2.138 13.792 -5.215 1.00 0.00 N ATOM 182 NH2 ARG A 15 0.248 13.258 -6.401 1.00 0.00 N ATOM 0 H ARG A 15 1.446 7.111 -3.486 1.00 0.00 H new ATOM 0 HA ARG A 15 3.047 9.040 -1.941 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.091 9.476 -4.492 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.381 9.834 -4.349 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.274 11.240 -2.490 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.248 11.736 -4.170 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.779 11.556 -2.395 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.672 13.033 -2.696 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.250 11.781 -4.463 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.722 13.683 -4.386 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.426 14.424 -5.962 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.625 12.737 -6.486 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.539 13.891 -7.146 1.00 0.00 H new ATOM 196 N ASP A 16 0.964 9.935 -0.853 1.00 0.00 N ATOM 197 CA ASP A 16 -0.217 10.243 -0.054 1.00 0.00 C ATOM 198 C ASP A 16 -1.473 10.248 -0.921 1.00 0.00 C ATOM 199 O ASP A 16 -1.538 10.946 -1.934 1.00 0.00 O ATOM 200 CB ASP A 16 -0.054 11.597 0.636 1.00 0.00 C ATOM 201 CG ASP A 16 -0.391 12.758 -0.279 1.00 0.00 C ATOM 202 OD1 ASP A 16 -1.589 12.958 -0.567 1.00 0.00 O ATOM 203 OD2 ASP A 16 0.544 13.467 -0.705 1.00 0.00 O ATOM 0 H ASP A 16 1.812 10.418 -0.555 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.324 9.468 0.705 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.697 11.633 1.515 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.973 11.701 0.987 1.00 0.00 H new ATOM 208 N LEU A 17 -2.467 9.465 -0.517 1.00 0.00 N ATOM 209 CA LEU A 17 -3.722 9.379 -1.257 1.00 0.00 C ATOM 210 C LEU A 17 -4.876 9.950 -0.441 1.00 0.00 C ATOM 211 O LEU A 17 -4.878 9.875 0.787 1.00 0.00 O ATOM 212 CB LEU A 17 -4.016 7.925 -1.632 1.00 0.00 C ATOM 213 CG LEU A 17 -5.433 7.634 -2.127 1.00 0.00 C ATOM 214 CD1 LEU A 17 -5.592 8.066 -3.576 1.00 0.00 C ATOM 215 CD2 LEU A 17 -5.759 6.155 -1.970 1.00 0.00 C ATOM 0 H LEU A 17 -2.429 8.881 0.318 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.620 9.969 -2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.312 7.621 -2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.821 7.299 -0.761 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.134 8.207 -1.520 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.607 7.851 -3.911 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.401 9.136 -3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.882 7.521 -4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.771 5.966 -2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.052 5.563 -2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.687 5.876 -0.919 1.00 0.00 H new ATOM 227 N ASN A 18 -5.859 10.518 -1.132 1.00 0.00 N ATOM 228 CA ASN A 18 -7.021 11.101 -0.471 1.00 0.00 C ATOM 229 C ASN A 18 -8.314 10.514 -1.028 1.00 0.00 C ATOM 230 O ASN A 18 -8.705 10.808 -2.158 1.00 0.00 O ATOM 231 CB ASN A 18 -7.022 12.621 -0.643 1.00 0.00 C ATOM 232 CG ASN A 18 -7.226 13.040 -2.086 1.00 0.00 C ATOM 233 OD1 ASN A 18 -8.358 13.163 -2.554 1.00 0.00 O ATOM 234 ND2 ASN A 18 -6.128 13.262 -2.798 1.00 0.00 N ATOM 0 H ASN A 18 -5.874 10.587 -2.150 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.962 10.862 0.591 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.811 13.053 -0.027 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.077 13.025 -0.280 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -6.202 13.547 -3.775 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.210 13.148 -2.369 1.00 0.00 H new ATOM 241 N ILE A 19 -8.974 9.684 -0.227 1.00 0.00 N ATOM 242 CA ILE A 19 -10.224 9.058 -0.639 1.00 0.00 C ATOM 243 C ILE A 19 -11.272 9.144 0.466 1.00 0.00 C ATOM 244 O ILE A 19 -10.951 9.430 1.619 1.00 0.00 O ATOM 245 CB ILE A 19 -10.015 7.580 -1.018 1.00 0.00 C ATOM 246 CG1 ILE A 19 -11.297 6.998 -1.617 1.00 0.00 C ATOM 247 CG2 ILE A 19 -9.580 6.777 0.199 1.00 0.00 C ATOM 248 CD1 ILE A 19 -11.073 5.727 -2.406 1.00 0.00 C ATOM 0 H ILE A 19 -8.664 9.430 0.711 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.576 9.603 -1.515 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.227 7.521 -1.768 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.005 6.797 -0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.756 7.743 -2.267 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.436 5.735 -0.085 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.644 7.180 0.585 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.348 6.840 0.970 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -12.025 5.371 -2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.390 5.927 -3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -10.643 4.966 -1.755 1.00 0.00 H new ATOM 260 N SER A 20 -12.526 8.892 0.105 1.00 0.00 N ATOM 261 CA SER A 20 -13.623 8.943 1.064 1.00 0.00 C ATOM 262 C SER A 20 -13.841 7.579 1.713 1.00 0.00 C ATOM 263 O SER A 20 -13.311 6.569 1.251 1.00 0.00 O ATOM 264 CB SER A 20 -14.909 9.405 0.377 1.00 0.00 C ATOM 265 OG SER A 20 -15.882 9.801 1.329 1.00 0.00 O ATOM 0 H SER A 20 -12.808 8.650 -0.845 1.00 0.00 H new ATOM 0 HA SER A 20 -13.359 9.659 1.843 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.689 10.238 -0.291 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.306 8.598 -0.239 1.00 0.00 H new ATOM 0 HG SER A 20 -15.448 9.965 2.192 1.00 0.00 H new ATOM 271 N GLU A 21 -14.625 7.560 2.786 1.00 0.00 N ATOM 272 CA GLU A 21 -14.913 6.321 3.499 1.00 0.00 C ATOM 273 C GLU A 21 -15.935 5.481 2.739 1.00 0.00 C ATOM 274 O GLU A 21 -17.033 5.944 2.436 1.00 0.00 O ATOM 275 CB GLU A 21 -15.431 6.625 4.906 1.00 0.00 C ATOM 276 CG GLU A 21 -16.154 5.455 5.554 1.00 0.00 C ATOM 277 CD GLU A 21 -16.634 5.772 6.957 1.00 0.00 C ATOM 278 OE1 GLU A 21 -17.090 6.912 7.184 1.00 0.00 O ATOM 279 OE2 GLU A 21 -16.555 4.880 7.827 1.00 0.00 O ATOM 0 H GLU A 21 -15.072 8.388 3.180 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.986 5.752 3.576 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.592 6.918 5.538 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.108 7.478 4.859 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -17.007 5.173 4.937 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.487 4.594 5.588 1.00 0.00 H new ATOM 286 N GLY A 22 -15.563 4.241 2.433 1.00 0.00 N ATOM 287 CA GLY A 22 -16.458 3.356 1.711 1.00 0.00 C ATOM 288 C GLY A 22 -16.223 3.390 0.214 1.00 0.00 C ATOM 289 O GLY A 22 -17.153 3.208 -0.572 1.00 0.00 O ATOM 0 H GLY A 22 -14.659 3.834 2.672 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -16.326 2.336 2.073 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -17.490 3.638 1.920 1.00 0.00 H new ATOM 293 N ARG A 23 -14.976 3.624 -0.183 1.00 0.00 N ATOM 294 CA ARG A 23 -14.623 3.685 -1.596 1.00 0.00 C ATOM 295 C ARG A 23 -13.402 2.816 -1.889 1.00 0.00 C ATOM 296 O ARG A 23 -12.719 2.360 -0.973 1.00 0.00 O ATOM 297 CB ARG A 23 -14.345 5.130 -2.013 1.00 0.00 C ATOM 298 CG ARG A 23 -15.555 6.042 -1.892 1.00 0.00 C ATOM 299 CD ARG A 23 -15.495 7.183 -2.896 1.00 0.00 C ATOM 300 NE ARG A 23 -16.667 8.050 -2.809 1.00 0.00 N ATOM 301 CZ ARG A 23 -17.887 7.677 -3.176 1.00 0.00 C ATOM 302 NH1 ARG A 23 -18.095 6.457 -3.653 1.00 0.00 N ATOM 303 NH2 ARG A 23 -18.903 8.523 -3.066 1.00 0.00 N ATOM 0 H ARG A 23 -14.194 3.774 0.454 1.00 0.00 H new ATOM 0 HA ARG A 23 -15.466 3.304 -2.172 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.538 5.528 -1.398 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.994 5.140 -3.045 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.465 5.464 -2.051 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.607 6.447 -0.882 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.595 7.772 -2.722 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.420 6.775 -3.904 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.541 8.995 -2.446 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.317 5.803 -3.738 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.033 6.173 -3.934 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.747 9.462 -2.699 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.840 8.235 -3.349 1.00 0.00 H new ATOM 317 N MET A 24 -13.136 2.592 -3.171 1.00 0.00 N ATOM 318 CA MET A 24 -11.998 1.779 -3.584 1.00 0.00 C ATOM 319 C MET A 24 -10.739 2.631 -3.711 1.00 0.00 C ATOM 320 O MET A 24 -10.748 3.676 -4.360 1.00 0.00 O ATOM 321 CB MET A 24 -12.295 1.086 -4.916 1.00 0.00 C ATOM 322 CG MET A 24 -11.573 -0.240 -5.085 1.00 0.00 C ATOM 323 SD MET A 24 -12.199 -1.200 -6.477 1.00 0.00 S ATOM 324 CE MET A 24 -11.728 -2.856 -5.986 1.00 0.00 C ATOM 0 H MET A 24 -13.692 2.962 -3.942 1.00 0.00 H new ATOM 0 HA MET A 24 -11.828 1.022 -2.819 1.00 0.00 H new ATOM 0 HB2 MET A 24 -13.369 0.919 -4.998 1.00 0.00 H new ATOM 0 HB3 MET A 24 -12.013 1.751 -5.733 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.508 -0.054 -5.227 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.676 -0.824 -4.170 1.00 0.00 H new ATOM 0 HE1 MET A 24 -10.953 -3.228 -6.657 1.00 0.00 H new ATOM 0 HE2 MET A 24 -11.346 -2.838 -4.965 1.00 0.00 H new ATOM 0 HE3 MET A 24 -12.597 -3.512 -6.037 1.00 0.00 H new ATOM 334 N ALA A 25 -9.658 2.177 -3.085 1.00 0.00 N ATOM 335 CA ALA A 25 -8.391 2.897 -3.130 1.00 0.00 C ATOM 336 C ALA A 25 -7.238 1.958 -3.467 1.00 0.00 C ATOM 337 O ALA A 25 -7.360 0.740 -3.340 1.00 0.00 O ATOM 338 CB ALA A 25 -8.134 3.596 -1.803 1.00 0.00 C ATOM 0 H ALA A 25 -9.634 1.314 -2.541 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.456 3.648 -3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.185 4.130 -1.851 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.938 4.304 -1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.094 2.856 -1.004 1.00 0.00 H new ATOM 344 N GLU A 26 -6.119 2.533 -3.898 1.00 0.00 N ATOM 345 CA GLU A 26 -4.945 1.745 -4.255 1.00 0.00 C ATOM 346 C GLU A 26 -3.663 2.527 -3.985 1.00 0.00 C ATOM 347 O GLU A 26 -3.664 3.759 -3.974 1.00 0.00 O ATOM 348 CB GLU A 26 -5.006 1.337 -5.729 1.00 0.00 C ATOM 349 CG GLU A 26 -6.246 0.538 -6.088 1.00 0.00 C ATOM 350 CD GLU A 26 -6.315 0.200 -7.565 1.00 0.00 C ATOM 351 OE1 GLU A 26 -6.868 1.013 -8.335 1.00 0.00 O ATOM 352 OE2 GLU A 26 -5.816 -0.878 -7.950 1.00 0.00 O ATOM 0 H GLU A 26 -6.001 3.540 -4.008 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.940 0.847 -3.637 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.970 2.234 -6.347 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.122 0.748 -5.971 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.260 -0.384 -5.507 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.133 1.105 -5.807 1.00 0.00 H new ATOM 359 N LEU A 27 -2.570 1.804 -3.767 1.00 0.00 N ATOM 360 CA LEU A 27 -1.280 2.428 -3.497 1.00 0.00 C ATOM 361 C LEU A 27 -0.283 2.123 -4.610 1.00 0.00 C ATOM 362 O LEU A 27 0.108 0.973 -4.810 1.00 0.00 O ATOM 363 CB LEU A 27 -0.728 1.944 -2.155 1.00 0.00 C ATOM 364 CG LEU A 27 -1.256 2.662 -0.913 1.00 0.00 C ATOM 365 CD1 LEU A 27 -1.260 1.725 0.285 1.00 0.00 C ATOM 366 CD2 LEU A 27 -0.424 3.902 -0.620 1.00 0.00 C ATOM 0 H LEU A 27 -2.552 0.784 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.428 3.507 -3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.948 0.881 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.357 2.044 -2.174 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.282 2.975 -1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.639 2.254 1.159 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.899 0.868 0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.245 1.381 0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.814 4.401 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.612 3.612 -0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.474 4.583 -1.470 1.00 0.00 H new ATOM 378 N LYS A 28 0.128 3.161 -5.330 1.00 0.00 N ATOM 379 CA LYS A 28 1.082 3.007 -6.421 1.00 0.00 C ATOM 380 C LYS A 28 2.395 2.415 -5.916 1.00 0.00 C ATOM 381 O LYS A 28 3.129 3.060 -5.167 1.00 0.00 O ATOM 382 CB LYS A 28 1.344 4.357 -7.093 1.00 0.00 C ATOM 383 CG LYS A 28 0.079 5.069 -7.539 1.00 0.00 C ATOM 384 CD LYS A 28 -0.337 4.643 -8.937 1.00 0.00 C ATOM 385 CE LYS A 28 -1.014 3.281 -8.926 1.00 0.00 C ATOM 386 NZ LYS A 28 -1.909 3.097 -10.102 1.00 0.00 N ATOM 0 H LYS A 28 -0.185 4.120 -5.177 1.00 0.00 H new ATOM 0 HA LYS A 28 0.652 2.322 -7.152 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.887 4.999 -6.400 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.989 4.204 -7.958 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.727 4.854 -6.837 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.241 6.147 -7.519 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.016 5.385 -9.358 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.539 4.610 -9.584 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.255 2.498 -8.921 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.592 3.170 -8.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.351 2.157 -10.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.648 3.828 -10.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.353 3.177 -10.977 1.00 0.00 H new ATOM 400 N CYS A 29 2.683 1.187 -6.332 1.00 0.00 N ATOM 401 CA CYS A 29 3.908 0.509 -5.922 1.00 0.00 C ATOM 402 C CYS A 29 4.344 -0.508 -6.972 1.00 0.00 C ATOM 403 O CYS A 29 3.562 -1.365 -7.382 1.00 0.00 O ATOM 404 CB CYS A 29 3.705 -0.185 -4.575 1.00 0.00 C ATOM 405 SG CYS A 29 4.957 -1.432 -4.191 1.00 0.00 S ATOM 0 H CYS A 29 2.086 0.641 -6.952 1.00 0.00 H new ATOM 0 HA CYS A 29 4.693 1.259 -5.821 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.704 0.568 -3.787 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.723 -0.657 -4.566 1.00 0.00 H new ATOM 0 HG CYS A 29 4.414 -2.613 -4.211 1.00 0.00 H new ATOM 411 N ARG A 30 5.597 -0.404 -7.403 1.00 0.00 N ATOM 412 CA ARG A 30 6.136 -1.313 -8.408 1.00 0.00 C ATOM 413 C ARG A 30 7.434 -1.953 -7.922 1.00 0.00 C ATOM 414 O ARG A 30 8.407 -1.260 -7.623 1.00 0.00 O ATOM 415 CB ARG A 30 6.383 -0.568 -9.721 1.00 0.00 C ATOM 416 CG ARG A 30 5.151 -0.470 -10.606 1.00 0.00 C ATOM 417 CD ARG A 30 4.342 0.780 -10.297 1.00 0.00 C ATOM 418 NE ARG A 30 2.917 0.587 -10.554 1.00 0.00 N ATOM 419 CZ ARG A 30 2.390 0.535 -11.772 1.00 0.00 C ATOM 420 NH1 ARG A 30 3.167 0.662 -12.839 1.00 0.00 N ATOM 421 NH2 ARG A 30 1.084 0.357 -11.924 1.00 0.00 N ATOM 0 H ARG A 30 6.257 0.300 -7.073 1.00 0.00 H new ATOM 0 HA ARG A 30 5.403 -2.102 -8.578 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.740 0.437 -9.497 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.177 -1.073 -10.272 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.454 -0.459 -11.653 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.528 -1.353 -10.463 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.488 1.057 -9.253 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.710 1.609 -10.901 1.00 0.00 H new ATOM 0 HE ARG A 30 2.292 0.487 -9.754 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.171 0.800 -12.725 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.760 0.622 -13.774 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.484 0.260 -11.105 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.680 0.317 -12.860 1.00 0.00 H new ATOM 435 N THR A 31 7.441 -3.280 -7.843 1.00 0.00 N ATOM 436 CA THR A 31 8.617 -4.013 -7.392 1.00 0.00 C ATOM 437 C THR A 31 9.078 -5.015 -8.445 1.00 0.00 C ATOM 438 O THR A 31 8.285 -5.537 -9.228 1.00 0.00 O ATOM 439 CB THR A 31 8.342 -4.760 -6.074 1.00 0.00 C ATOM 440 OG1 THR A 31 7.382 -5.800 -6.292 1.00 0.00 O ATOM 441 CG2 THR A 31 7.828 -3.805 -5.007 1.00 0.00 C ATOM 0 H THR A 31 6.645 -3.869 -8.086 1.00 0.00 H new ATOM 0 HA THR A 31 9.404 -3.277 -7.226 1.00 0.00 H new ATOM 0 HB THR A 31 9.279 -5.197 -5.727 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.780 -6.666 -6.064 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.641 -4.356 -4.085 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.573 -3.031 -4.822 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.901 -3.343 -5.348 1.00 0.00 H new ATOM 449 N PRO A 32 10.390 -5.291 -8.466 1.00 0.00 N ATOM 450 CA PRO A 32 10.986 -6.234 -9.417 1.00 0.00 C ATOM 451 C PRO A 32 10.587 -7.677 -9.130 1.00 0.00 C ATOM 452 O PRO A 32 10.018 -7.993 -8.085 1.00 0.00 O ATOM 453 CB PRO A 32 12.490 -6.043 -9.210 1.00 0.00 C ATOM 454 CG PRO A 32 12.620 -5.537 -7.815 1.00 0.00 C ATOM 455 CD PRO A 32 11.394 -4.705 -7.561 1.00 0.00 C ATOM 0 HA PRO A 32 10.655 -6.046 -10.439 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.030 -6.981 -9.343 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.901 -5.334 -9.928 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.686 -6.362 -7.105 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.526 -4.943 -7.698 1.00 0.00 H new ATOM 0 HD2 PRO A 32 11.078 -4.762 -6.519 1.00 0.00 H new ATOM 0 HD3 PRO A 32 11.570 -3.652 -7.783 1.00 0.00 H new ATOM 463 N PRO A 33 10.891 -8.576 -10.078 1.00 0.00 N ATOM 464 CA PRO A 33 10.574 -10.001 -9.948 1.00 0.00 C ATOM 465 C PRO A 33 11.423 -10.690 -8.884 1.00 0.00 C ATOM 466 O PRO A 33 12.487 -10.197 -8.512 1.00 0.00 O ATOM 467 CB PRO A 33 10.896 -10.563 -11.335 1.00 0.00 C ATOM 468 CG PRO A 33 11.910 -9.628 -11.897 1.00 0.00 C ATOM 469 CD PRO A 33 11.570 -8.270 -11.348 1.00 0.00 C ATOM 0 HA PRO A 33 9.542 -10.162 -9.636 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.287 -11.578 -11.270 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.005 -10.604 -11.962 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.918 -9.925 -11.607 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.879 -9.627 -12.987 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.463 -7.665 -11.191 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.923 -7.713 -12.026 1.00 0.00 H new ATOM 477 N MET A 34 10.945 -11.831 -8.400 1.00 0.00 N ATOM 478 CA MET A 34 11.661 -12.588 -7.380 1.00 0.00 C ATOM 479 C MET A 34 11.910 -11.731 -6.142 1.00 0.00 C ATOM 480 O MET A 34 13.008 -11.733 -5.586 1.00 0.00 O ATOM 481 CB MET A 34 12.991 -13.101 -7.935 1.00 0.00 C ATOM 482 CG MET A 34 12.862 -13.784 -9.287 1.00 0.00 C ATOM 483 SD MET A 34 14.222 -14.918 -9.625 1.00 0.00 S ATOM 484 CE MET A 34 13.324 -16.417 -10.020 1.00 0.00 C ATOM 0 H MET A 34 10.065 -12.252 -8.698 1.00 0.00 H new ATOM 0 HA MET A 34 11.043 -13.439 -7.093 1.00 0.00 H new ATOM 0 HB2 MET A 34 13.685 -12.265 -8.024 1.00 0.00 H new ATOM 0 HB3 MET A 34 13.426 -13.802 -7.223 1.00 0.00 H new ATOM 0 HG2 MET A 34 11.920 -14.331 -9.325 1.00 0.00 H new ATOM 0 HG3 MET A 34 12.822 -13.027 -10.070 1.00 0.00 H new ATOM 0 HE1 MET A 34 14.030 -17.214 -10.253 1.00 0.00 H new ATOM 0 HE2 MET A 34 12.714 -16.711 -9.166 1.00 0.00 H new ATOM 0 HE3 MET A 34 12.681 -16.239 -10.882 1.00 0.00 H new ATOM 494 N SER A 35 10.884 -11.000 -5.718 1.00 0.00 N ATOM 495 CA SER A 35 10.994 -10.136 -4.548 1.00 0.00 C ATOM 496 C SER A 35 9.773 -10.285 -3.646 1.00 0.00 C ATOM 497 O SER A 35 8.696 -10.674 -4.099 1.00 0.00 O ATOM 498 CB SER A 35 11.148 -8.676 -4.980 1.00 0.00 C ATOM 499 OG SER A 35 11.992 -8.566 -6.113 1.00 0.00 O ATOM 0 H SER A 35 9.968 -10.989 -6.167 1.00 0.00 H new ATOM 0 HA SER A 35 11.878 -10.437 -3.986 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.169 -8.256 -5.210 1.00 0.00 H new ATOM 0 HB3 SER A 35 11.560 -8.092 -4.157 1.00 0.00 H new ATOM 0 HG SER A 35 12.762 -9.163 -6.007 1.00 0.00 H new ATOM 505 N SER A 36 9.949 -9.973 -2.366 1.00 0.00 N ATOM 506 CA SER A 36 8.863 -10.075 -1.398 1.00 0.00 C ATOM 507 C SER A 36 8.231 -8.710 -1.145 1.00 0.00 C ATOM 508 O SER A 36 8.892 -7.784 -0.676 1.00 0.00 O ATOM 509 CB SER A 36 9.378 -10.663 -0.083 1.00 0.00 C ATOM 510 OG SER A 36 9.583 -12.061 -0.195 1.00 0.00 O ATOM 0 H SER A 36 10.833 -9.648 -1.975 1.00 0.00 H new ATOM 0 HA SER A 36 8.102 -10.737 -1.811 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.313 -10.176 0.195 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.663 -10.460 0.714 1.00 0.00 H new ATOM 0 HG SER A 36 9.914 -12.412 0.658 1.00 0.00 H new ATOM 516 N VAL A 37 6.944 -8.594 -1.458 1.00 0.00 N ATOM 517 CA VAL A 37 6.220 -7.343 -1.264 1.00 0.00 C ATOM 518 C VAL A 37 5.300 -7.423 -0.051 1.00 0.00 C ATOM 519 O VAL A 37 4.554 -8.389 0.114 1.00 0.00 O ATOM 520 CB VAL A 37 5.384 -6.980 -2.506 1.00 0.00 C ATOM 521 CG1 VAL A 37 4.570 -5.720 -2.252 1.00 0.00 C ATOM 522 CG2 VAL A 37 6.283 -6.808 -3.721 1.00 0.00 C ATOM 0 H VAL A 37 6.382 -9.351 -1.847 1.00 0.00 H new ATOM 0 HA VAL A 37 6.967 -6.567 -1.099 1.00 0.00 H new ATOM 0 HB VAL A 37 4.691 -7.797 -2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.986 -5.479 -3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.898 -5.884 -1.410 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.242 -4.893 -2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.676 -6.552 -4.589 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.001 -6.010 -3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.817 -7.739 -3.913 1.00 0.00 H new ATOM 532 N LYS A 38 5.357 -6.401 0.796 1.00 0.00 N ATOM 533 CA LYS A 38 4.528 -6.354 1.995 1.00 0.00 C ATOM 534 C LYS A 38 4.068 -4.928 2.281 1.00 0.00 C ATOM 535 O LYS A 38 4.503 -3.982 1.625 1.00 0.00 O ATOM 536 CB LYS A 38 5.300 -6.903 3.196 1.00 0.00 C ATOM 537 CG LYS A 38 5.560 -8.398 3.120 1.00 0.00 C ATOM 538 CD LYS A 38 5.627 -9.023 4.503 1.00 0.00 C ATOM 539 CE LYS A 38 7.011 -8.873 5.116 1.00 0.00 C ATOM 540 NZ LYS A 38 7.259 -9.885 6.180 1.00 0.00 N ATOM 0 H LYS A 38 5.969 -5.594 0.674 1.00 0.00 H new ATOM 0 HA LYS A 38 3.648 -6.974 1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.253 -6.380 3.274 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.742 -6.686 4.107 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.770 -8.877 2.541 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.496 -8.579 2.592 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.888 -8.553 5.152 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.369 -10.080 4.439 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.766 -8.973 4.336 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.116 -7.872 5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.212 -9.749 6.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.554 -9.773 6.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.184 -10.840 5.775 1.00 0.00 H new ATOM 554 N TRP A 39 3.188 -4.782 3.266 1.00 0.00 N ATOM 555 CA TRP A 39 2.671 -3.470 3.640 1.00 0.00 C ATOM 556 C TRP A 39 2.356 -3.415 5.131 1.00 0.00 C ATOM 557 O TRP A 39 1.734 -4.325 5.679 1.00 0.00 O ATOM 558 CB TRP A 39 1.416 -3.144 2.829 1.00 0.00 C ATOM 559 CG TRP A 39 1.707 -2.786 1.402 1.00 0.00 C ATOM 560 CD1 TRP A 39 1.896 -3.652 0.363 1.00 0.00 C ATOM 561 CD2 TRP A 39 1.844 -1.469 0.860 1.00 0.00 C ATOM 562 NE1 TRP A 39 2.142 -2.951 -0.793 1.00 0.00 N ATOM 563 CE2 TRP A 39 2.115 -1.610 -0.515 1.00 0.00 C ATOM 564 CE3 TRP A 39 1.762 -0.183 1.402 1.00 0.00 C ATOM 565 CZ2 TRP A 39 2.305 -0.514 -1.352 1.00 0.00 C ATOM 566 CZ3 TRP A 39 1.952 0.904 0.569 1.00 0.00 C ATOM 567 CH2 TRP A 39 2.220 0.733 -0.795 1.00 0.00 C ATOM 0 H TRP A 39 2.818 -5.555 3.819 1.00 0.00 H new ATOM 0 HA TRP A 39 3.439 -2.728 3.422 1.00 0.00 H new ATOM 0 HB2 TRP A 39 0.745 -4.002 2.851 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.890 -2.316 3.304 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.858 -4.729 0.439 1.00 0.00 H new ATOM 0 HE1 TRP A 39 2.316 -3.363 -1.710 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.554 -0.041 2.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.512 -0.643 -2.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.893 1.902 0.977 1.00 0.00 H new ATOM 0 HH2 TRP A 39 2.362 1.603 -1.420 1.00 0.00 H new ATOM 578 N LEU A 40 2.789 -2.341 5.782 1.00 0.00 N ATOM 579 CA LEU A 40 2.553 -2.166 7.211 1.00 0.00 C ATOM 580 C LEU A 40 1.393 -1.207 7.458 1.00 0.00 C ATOM 581 O LEU A 40 1.148 -0.295 6.667 1.00 0.00 O ATOM 582 CB LEU A 40 3.816 -1.644 7.897 1.00 0.00 C ATOM 583 CG LEU A 40 3.850 -1.761 9.421 1.00 0.00 C ATOM 584 CD1 LEU A 40 5.281 -1.911 9.914 1.00 0.00 C ATOM 585 CD2 LEU A 40 3.188 -0.550 10.063 1.00 0.00 C ATOM 0 H LEU A 40 3.305 -1.578 5.343 1.00 0.00 H new ATOM 0 HA LEU A 40 2.293 -3.137 7.632 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.674 -2.182 7.492 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.943 -0.595 7.630 1.00 0.00 H new ATOM 0 HG LEU A 40 3.293 -2.652 9.710 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.285 -1.993 11.001 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.723 -2.808 9.481 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.863 -1.039 9.614 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.221 -0.650 11.148 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.718 0.355 9.766 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.150 -0.487 9.736 1.00 0.00 H new ATOM 597 N LEU A 41 0.683 -1.417 8.561 1.00 0.00 N ATOM 598 CA LEU A 41 -0.451 -0.570 8.914 1.00 0.00 C ATOM 599 C LEU A 41 -0.131 0.286 10.136 1.00 0.00 C ATOM 600 O LEU A 41 0.679 -0.082 10.988 1.00 0.00 O ATOM 601 CB LEU A 41 -1.688 -1.426 9.187 1.00 0.00 C ATOM 602 CG LEU A 41 -2.015 -2.487 8.135 1.00 0.00 C ATOM 603 CD1 LEU A 41 -2.083 -1.861 6.750 1.00 0.00 C ATOM 604 CD2 LEU A 41 -0.985 -3.606 8.167 1.00 0.00 C ATOM 0 H LEU A 41 0.873 -2.167 9.226 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.654 0.092 8.072 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.556 -1.924 10.148 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.548 -0.764 9.287 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.991 -2.913 8.367 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.317 -2.630 6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.859 -1.096 6.734 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.122 -1.407 6.508 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.234 -4.351 7.412 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.004 -3.196 7.960 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.986 -4.073 9.152 1.00 0.00 H new ATOM 616 N PRO A 42 -0.783 1.455 10.228 1.00 0.00 N ATOM 617 CA PRO A 42 -0.587 2.385 11.343 1.00 0.00 C ATOM 618 C PRO A 42 -1.160 1.851 12.651 1.00 0.00 C ATOM 619 O PRO A 42 -1.136 2.534 13.674 1.00 0.00 O ATOM 620 CB PRO A 42 -1.346 3.637 10.898 1.00 0.00 C ATOM 621 CG PRO A 42 -2.380 3.136 9.949 1.00 0.00 C ATOM 622 CD PRO A 42 -1.762 1.957 9.249 1.00 0.00 C ATOM 0 HA PRO A 42 0.469 2.560 11.547 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.802 4.146 11.747 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.680 4.353 10.416 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.287 2.844 10.478 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.662 3.910 9.235 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.507 1.201 9.001 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.283 2.250 8.315 1.00 0.00 H new ATOM 630 N ASN A 43 -1.674 0.626 12.610 1.00 0.00 N ATOM 631 CA ASN A 43 -2.253 0.001 13.794 1.00 0.00 C ATOM 632 C ASN A 43 -1.268 -0.974 14.432 1.00 0.00 C ATOM 633 O ASN A 43 -1.475 -1.438 15.552 1.00 0.00 O ATOM 634 CB ASN A 43 -3.547 -0.731 13.428 1.00 0.00 C ATOM 635 CG ASN A 43 -3.510 -1.301 12.023 1.00 0.00 C ATOM 636 OD1 ASN A 43 -3.868 -0.626 11.058 1.00 0.00 O ATOM 637 ND2 ASN A 43 -3.078 -2.551 11.903 1.00 0.00 N ATOM 0 H ASN A 43 -1.701 0.047 11.771 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.478 0.786 14.515 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.719 -1.538 14.140 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.388 -0.043 13.516 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.033 -2.989 10.983 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.791 -3.073 12.731 1.00 0.00 H new ATOM 644 N GLY A 44 -0.194 -1.279 13.709 1.00 0.00 N ATOM 645 CA GLY A 44 0.808 -2.196 14.221 1.00 0.00 C ATOM 646 C GLY A 44 0.673 -3.588 13.636 1.00 0.00 C ATOM 647 O GLY A 44 0.461 -4.559 14.364 1.00 0.00 O ATOM 0 H GLY A 44 -0.000 -0.908 12.779 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.801 -1.806 13.997 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.724 -2.252 15.306 1.00 0.00 H new ATOM 651 N THR A 45 0.793 -3.688 12.316 1.00 0.00 N ATOM 652 CA THR A 45 0.680 -4.970 11.633 1.00 0.00 C ATOM 653 C THR A 45 1.189 -4.876 10.199 1.00 0.00 C ATOM 654 O THR A 45 1.425 -3.783 9.684 1.00 0.00 O ATOM 655 CB THR A 45 -0.776 -5.472 11.617 1.00 0.00 C ATOM 656 OG1 THR A 45 -1.348 -5.358 12.925 1.00 0.00 O ATOM 657 CG2 THR A 45 -0.845 -6.919 11.152 1.00 0.00 C ATOM 0 H THR A 45 0.969 -2.895 11.698 1.00 0.00 H new ATOM 0 HA THR A 45 1.295 -5.679 12.188 1.00 0.00 H new ATOM 0 HB THR A 45 -1.342 -4.855 10.918 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.676 -5.594 13.598 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.883 -7.251 11.149 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.436 -6.997 10.145 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.265 -7.547 11.829 1.00 0.00 H new ATOM 665 N VAL A 46 1.355 -6.029 9.558 1.00 0.00 N ATOM 666 CA VAL A 46 1.834 -6.076 8.181 1.00 0.00 C ATOM 667 C VAL A 46 1.174 -7.212 7.409 1.00 0.00 C ATOM 668 O VAL A 46 0.875 -8.268 7.969 1.00 0.00 O ATOM 669 CB VAL A 46 3.363 -6.251 8.125 1.00 0.00 C ATOM 670 CG1 VAL A 46 3.801 -6.678 6.733 1.00 0.00 C ATOM 671 CG2 VAL A 46 4.062 -4.966 8.542 1.00 0.00 C ATOM 0 H VAL A 46 1.165 -6.943 9.970 1.00 0.00 H new ATOM 0 HA VAL A 46 1.568 -5.125 7.720 1.00 0.00 H new ATOM 0 HB VAL A 46 3.647 -7.036 8.826 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.884 -6.797 6.713 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.327 -7.626 6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.506 -5.918 6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.142 -5.108 8.497 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.773 -4.160 7.868 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.773 -4.708 9.561 1.00 0.00 H new ATOM 681 N LEU A 47 0.951 -6.991 6.118 1.00 0.00 N ATOM 682 CA LEU A 47 0.326 -7.997 5.266 1.00 0.00 C ATOM 683 C LEU A 47 1.273 -8.429 4.150 1.00 0.00 C ATOM 684 O LEU A 47 2.361 -7.875 3.997 1.00 0.00 O ATOM 685 CB LEU A 47 -0.972 -7.453 4.667 1.00 0.00 C ATOM 686 CG LEU A 47 -2.095 -7.154 5.661 1.00 0.00 C ATOM 687 CD1 LEU A 47 -3.301 -6.568 4.942 1.00 0.00 C ATOM 688 CD2 LEU A 47 -2.485 -8.414 6.420 1.00 0.00 C ATOM 0 H LEU A 47 1.194 -6.124 5.638 1.00 0.00 H new ATOM 0 HA LEU A 47 0.097 -8.867 5.881 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.742 -6.537 4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.342 -8.173 3.937 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.733 -6.419 6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.090 -6.361 5.665 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.013 -5.642 4.444 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.665 -7.280 4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.285 -8.182 7.123 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.829 -9.171 5.716 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.621 -8.792 6.966 1.00 0.00 H new ATOM 700 N SER A 48 0.849 -9.420 3.372 1.00 0.00 N ATOM 701 CA SER A 48 1.659 -9.927 2.271 1.00 0.00 C ATOM 702 C SER A 48 0.811 -10.754 1.309 1.00 0.00 C ATOM 703 O SER A 48 -0.374 -10.986 1.550 1.00 0.00 O ATOM 704 CB SER A 48 2.815 -10.773 2.808 1.00 0.00 C ATOM 705 OG SER A 48 3.762 -11.047 1.790 1.00 0.00 O ATOM 0 H SER A 48 -0.051 -9.887 3.484 1.00 0.00 H new ATOM 0 HA SER A 48 2.065 -9.074 1.728 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.302 -10.249 3.630 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.428 -11.709 3.211 1.00 0.00 H new ATOM 0 HG SER A 48 4.492 -11.587 2.159 1.00 0.00 H new ATOM 711 N HIS A 49 1.428 -11.197 0.218 1.00 0.00 N ATOM 712 CA HIS A 49 0.731 -12.000 -0.781 1.00 0.00 C ATOM 713 C HIS A 49 0.066 -13.212 -0.137 1.00 0.00 C ATOM 714 O HIS A 49 -0.862 -13.794 -0.698 1.00 0.00 O ATOM 715 CB HIS A 49 1.704 -12.455 -1.869 1.00 0.00 C ATOM 716 CG HIS A 49 1.063 -12.629 -3.212 1.00 0.00 C ATOM 717 ND1 HIS A 49 1.260 -11.754 -4.259 1.00 0.00 N ATOM 718 CD2 HIS A 49 0.225 -13.586 -3.675 1.00 0.00 C ATOM 719 CE1 HIS A 49 0.570 -12.164 -5.308 1.00 0.00 C ATOM 720 NE2 HIS A 49 -0.067 -13.274 -4.980 1.00 0.00 N ATOM 0 H HIS A 49 2.408 -11.014 0.003 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.044 -11.381 -1.233 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.510 -11.726 -1.952 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.158 -13.399 -1.567 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.145 -14.436 -3.121 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.533 -11.675 -6.270 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.677 -13.812 -5.596 1.00 0.00 H new ATOM 729 N ALA A 50 0.548 -13.588 1.043 1.00 0.00 N ATOM 730 CA ALA A 50 0.000 -14.730 1.764 1.00 0.00 C ATOM 731 C ALA A 50 -1.334 -14.380 2.415 1.00 0.00 C ATOM 732 O ALA A 50 -2.328 -15.083 2.233 1.00 0.00 O ATOM 733 CB ALA A 50 0.989 -15.217 2.813 1.00 0.00 C ATOM 0 H ALA A 50 1.317 -13.118 1.520 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.175 -15.531 1.046 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.566 -16.070 3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.917 -15.516 2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.193 -14.414 3.521 1.00 0.00 H new ATOM 739 N SER A 51 -1.348 -13.289 3.174 1.00 0.00 N ATOM 740 CA SER A 51 -2.559 -12.848 3.856 1.00 0.00 C ATOM 741 C SER A 51 -3.754 -12.865 2.907 1.00 0.00 C ATOM 742 O SER A 51 -3.633 -12.514 1.733 1.00 0.00 O ATOM 743 CB SER A 51 -2.366 -11.442 4.425 1.00 0.00 C ATOM 744 OG SER A 51 -1.836 -11.491 5.739 1.00 0.00 O ATOM 0 H SER A 51 -0.535 -12.694 3.332 1.00 0.00 H new ATOM 0 HA SER A 51 -2.757 -13.540 4.675 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.695 -10.874 3.780 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.321 -10.916 4.434 1.00 0.00 H new ATOM 0 HG SER A 51 -1.168 -10.782 5.849 1.00 0.00 H new ATOM 750 N ARG A 52 -4.907 -13.277 3.424 1.00 0.00 N ATOM 751 CA ARG A 52 -6.123 -13.342 2.624 1.00 0.00 C ATOM 752 C ARG A 52 -7.065 -12.192 2.971 1.00 0.00 C ATOM 753 O ARG A 52 -8.286 -12.339 2.922 1.00 0.00 O ATOM 754 CB ARG A 52 -6.833 -14.680 2.842 1.00 0.00 C ATOM 755 CG ARG A 52 -6.218 -15.829 2.061 1.00 0.00 C ATOM 756 CD ARG A 52 -5.132 -16.529 2.862 1.00 0.00 C ATOM 757 NE ARG A 52 -4.293 -17.379 2.021 1.00 0.00 N ATOM 758 CZ ARG A 52 -3.161 -17.936 2.436 1.00 0.00 C ATOM 759 NH1 ARG A 52 -2.735 -17.736 3.676 1.00 0.00 N ATOM 760 NH2 ARG A 52 -2.453 -18.697 1.611 1.00 0.00 N ATOM 0 H ARG A 52 -5.024 -13.571 4.394 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.842 -13.255 1.575 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.814 -14.923 3.904 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.880 -14.577 2.557 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.995 -16.546 1.795 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.798 -15.453 1.128 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.510 -15.784 3.358 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.591 -17.133 3.644 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.593 -17.554 1.062 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.277 -17.153 4.314 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.865 -18.165 3.992 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.778 -18.855 0.657 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.584 -19.124 1.931 1.00 0.00 H new ATOM 774 N HIS A 53 -6.488 -11.048 3.324 1.00 0.00 N ATOM 775 CA HIS A 53 -7.275 -9.872 3.680 1.00 0.00 C ATOM 776 C HIS A 53 -8.190 -9.463 2.530 1.00 0.00 C ATOM 777 O HIS A 53 -7.764 -9.333 1.382 1.00 0.00 O ATOM 778 CB HIS A 53 -6.355 -8.710 4.054 1.00 0.00 C ATOM 779 CG HIS A 53 -6.976 -7.738 5.009 1.00 0.00 C ATOM 780 ND1 HIS A 53 -7.995 -6.880 4.654 1.00 0.00 N ATOM 781 CD2 HIS A 53 -6.718 -7.492 6.315 1.00 0.00 C ATOM 782 CE1 HIS A 53 -8.336 -6.147 5.699 1.00 0.00 C ATOM 783 NE2 HIS A 53 -7.576 -6.500 6.720 1.00 0.00 N ATOM 0 H HIS A 53 -5.478 -10.910 3.371 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.894 -10.126 4.541 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.442 -9.108 4.496 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -6.065 -8.180 3.147 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -5.975 -7.985 6.925 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -9.105 -5.389 5.716 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.620 -6.100 7.657 1.00 0.00 H new ATOM 792 N PRO A 54 -9.478 -9.255 2.842 1.00 0.00 N ATOM 793 CA PRO A 54 -10.479 -8.857 1.849 1.00 0.00 C ATOM 794 C PRO A 54 -10.268 -7.431 1.351 1.00 0.00 C ATOM 795 O PRO A 54 -10.214 -7.185 0.146 1.00 0.00 O ATOM 796 CB PRO A 54 -11.801 -8.966 2.614 1.00 0.00 C ATOM 797 CG PRO A 54 -11.426 -8.790 4.045 1.00 0.00 C ATOM 798 CD PRO A 54 -10.055 -9.391 4.190 1.00 0.00 C ATOM 0 HA PRO A 54 -10.435 -9.479 0.955 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.508 -8.201 2.293 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.278 -9.932 2.445 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.421 -7.735 4.320 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -12.141 -9.287 4.700 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -9.462 -8.863 4.936 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.105 -10.434 4.502 1.00 0.00 H new ATOM 806 N ARG A 55 -10.148 -6.494 2.287 1.00 0.00 N ATOM 807 CA ARG A 55 -9.943 -5.093 1.943 1.00 0.00 C ATOM 808 C ARG A 55 -8.539 -4.868 1.390 1.00 0.00 C ATOM 809 O ARG A 55 -8.368 -4.565 0.208 1.00 0.00 O ATOM 810 CB ARG A 55 -10.168 -4.206 3.169 1.00 0.00 C ATOM 811 CG ARG A 55 -11.592 -4.248 3.699 1.00 0.00 C ATOM 812 CD ARG A 55 -11.908 -3.025 4.545 1.00 0.00 C ATOM 813 NE ARG A 55 -10.753 -2.586 5.324 1.00 0.00 N ATOM 814 CZ ARG A 55 -10.428 -3.093 6.508 1.00 0.00 C ATOM 815 NH1 ARG A 55 -11.167 -4.054 7.046 1.00 0.00 N ATOM 816 NH2 ARG A 55 -9.362 -2.641 7.155 1.00 0.00 N ATOM 0 H ARG A 55 -10.189 -6.681 3.289 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.665 -4.825 1.172 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.486 -4.515 3.961 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -9.915 -3.177 2.914 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.291 -4.305 2.864 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.733 -5.150 4.294 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.239 -2.212 3.898 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.734 -3.253 5.218 1.00 0.00 H new ATOM 0 HE ARG A 55 -10.163 -1.849 4.937 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -11.987 -4.405 6.550 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.916 -4.442 7.955 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.791 -1.903 6.743 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.114 -3.031 8.064 1.00 0.00 H new ATOM 830 N ILE A 56 -7.539 -5.019 2.251 1.00 0.00 N ATOM 831 CA ILE A 56 -6.150 -4.833 1.848 1.00 0.00 C ATOM 832 C ILE A 56 -5.667 -5.995 0.987 1.00 0.00 C ATOM 833 O ILE A 56 -5.226 -7.022 1.503 1.00 0.00 O ATOM 834 CB ILE A 56 -5.223 -4.694 3.070 1.00 0.00 C ATOM 835 CG1 ILE A 56 -5.639 -3.491 3.919 1.00 0.00 C ATOM 836 CG2 ILE A 56 -3.775 -4.560 2.624 1.00 0.00 C ATOM 837 CD1 ILE A 56 -4.924 -3.415 5.250 1.00 0.00 C ATOM 0 H ILE A 56 -7.664 -5.270 3.232 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.111 -3.912 1.266 1.00 0.00 H new ATOM 0 HB ILE A 56 -5.313 -5.593 3.680 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.445 -2.576 3.359 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -6.714 -3.535 4.095 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.132 -4.463 3.499 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.485 -5.445 2.058 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.668 -3.676 1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.268 -2.538 5.798 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.138 -4.313 5.830 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.850 -3.339 5.082 1.00 0.00 H new ATOM 849 N SER A 57 -5.753 -5.825 -0.329 1.00 0.00 N ATOM 850 CA SER A 57 -5.326 -6.861 -1.262 1.00 0.00 C ATOM 851 C SER A 57 -4.006 -6.482 -1.927 1.00 0.00 C ATOM 852 O SER A 57 -3.918 -5.477 -2.632 1.00 0.00 O ATOM 853 CB SER A 57 -6.400 -7.089 -2.328 1.00 0.00 C ATOM 854 OG SER A 57 -7.602 -7.565 -1.747 1.00 0.00 O ATOM 0 H SER A 57 -6.114 -4.980 -0.772 1.00 0.00 H new ATOM 0 HA SER A 57 -5.178 -7.784 -0.701 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.593 -6.157 -2.859 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.039 -7.807 -3.065 1.00 0.00 H new ATOM 0 HG SER A 57 -8.273 -7.701 -2.448 1.00 0.00 H new ATOM 860 N VAL A 58 -2.980 -7.296 -1.697 1.00 0.00 N ATOM 861 CA VAL A 58 -1.664 -7.049 -2.274 1.00 0.00 C ATOM 862 C VAL A 58 -1.573 -7.602 -3.691 1.00 0.00 C ATOM 863 O VAL A 58 -1.305 -8.788 -3.891 1.00 0.00 O ATOM 864 CB VAL A 58 -0.549 -7.677 -1.416 1.00 0.00 C ATOM 865 CG1 VAL A 58 0.818 -7.369 -2.009 1.00 0.00 C ATOM 866 CG2 VAL A 58 -0.640 -7.183 0.020 1.00 0.00 C ATOM 0 H VAL A 58 -3.035 -8.132 -1.115 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.527 -5.968 -2.300 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.682 -8.759 -1.413 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.593 -7.820 -1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.877 -7.776 -3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.965 -6.289 -2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.155 -7.637 0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.533 -6.098 0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.607 -7.460 0.439 1.00 0.00 H new ATOM 876 N LEU A 59 -1.797 -6.736 -4.674 1.00 0.00 N ATOM 877 CA LEU A 59 -1.739 -7.137 -6.075 1.00 0.00 C ATOM 878 C LEU A 59 -0.391 -7.770 -6.405 1.00 0.00 C ATOM 879 O LEU A 59 0.605 -7.523 -5.726 1.00 0.00 O ATOM 880 CB LEU A 59 -1.985 -5.930 -6.982 1.00 0.00 C ATOM 881 CG LEU A 59 -3.418 -5.399 -7.019 1.00 0.00 C ATOM 882 CD1 LEU A 59 -3.710 -4.563 -5.783 1.00 0.00 C ATOM 883 CD2 LEU A 59 -3.653 -4.586 -8.283 1.00 0.00 C ATOM 0 H LEU A 59 -2.020 -5.752 -4.526 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.519 -7.878 -6.248 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.327 -5.121 -6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.692 -6.198 -7.997 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.100 -6.249 -7.026 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.735 -4.194 -5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.583 -5.176 -4.891 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.022 -3.719 -5.744 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.678 -4.216 -8.292 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.963 -3.743 -8.307 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.487 -5.216 -9.157 1.00 0.00 H new ATOM 895 N ASN A 60 -0.367 -8.586 -7.454 1.00 0.00 N ATOM 896 CA ASN A 60 0.860 -9.253 -7.876 1.00 0.00 C ATOM 897 C ASN A 60 1.954 -8.235 -8.185 1.00 0.00 C ATOM 898 O ASN A 60 3.087 -8.367 -7.724 1.00 0.00 O ATOM 899 CB ASN A 60 0.595 -10.123 -9.106 1.00 0.00 C ATOM 900 CG ASN A 60 -0.280 -9.425 -10.130 1.00 0.00 C ATOM 901 OD1 ASN A 60 0.202 -8.630 -10.936 1.00 0.00 O ATOM 902 ND2 ASN A 60 -1.574 -9.722 -10.102 1.00 0.00 N ATOM 0 H ASN A 60 -1.183 -8.801 -8.027 1.00 0.00 H new ATOM 0 HA ASN A 60 1.199 -9.887 -7.057 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.545 -10.394 -9.568 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.116 -11.051 -8.795 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.212 -9.285 -10.767 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.930 -10.387 -9.416 1.00 0.00 H new ATOM 909 N ASP A 61 1.605 -7.220 -8.968 1.00 0.00 N ATOM 910 CA ASP A 61 2.556 -6.178 -9.338 1.00 0.00 C ATOM 911 C ASP A 61 3.211 -5.575 -8.099 1.00 0.00 C ATOM 912 O ASP A 61 4.368 -5.159 -8.136 1.00 0.00 O ATOM 913 CB ASP A 61 1.857 -5.083 -10.145 1.00 0.00 C ATOM 914 CG ASP A 61 2.707 -3.835 -10.285 1.00 0.00 C ATOM 915 OD1 ASP A 61 3.933 -3.971 -10.481 1.00 0.00 O ATOM 916 OD2 ASP A 61 2.146 -2.723 -10.199 1.00 0.00 O ATOM 0 H ASP A 61 0.671 -7.097 -9.359 1.00 0.00 H new ATOM 0 HA ASP A 61 3.333 -6.632 -9.953 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.613 -5.466 -11.136 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.915 -4.825 -9.662 1.00 0.00 H new ATOM 921 N GLY A 62 2.461 -5.530 -7.002 1.00 0.00 N ATOM 922 CA GLY A 62 2.984 -4.975 -5.768 1.00 0.00 C ATOM 923 C GLY A 62 2.164 -3.804 -5.265 1.00 0.00 C ATOM 924 O GLY A 62 2.647 -2.991 -4.475 1.00 0.00 O ATOM 0 H GLY A 62 1.500 -5.868 -6.946 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.007 -5.753 -5.005 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.013 -4.653 -5.926 1.00 0.00 H new ATOM 928 N THR A 63 0.920 -3.714 -5.724 1.00 0.00 N ATOM 929 CA THR A 63 0.031 -2.632 -5.318 1.00 0.00 C ATOM 930 C THR A 63 -0.886 -3.071 -4.182 1.00 0.00 C ATOM 931 O THR A 63 -1.181 -4.257 -4.031 1.00 0.00 O ATOM 932 CB THR A 63 -0.829 -2.139 -6.497 1.00 0.00 C ATOM 933 OG1 THR A 63 -0.016 -1.416 -7.428 1.00 0.00 O ATOM 934 CG2 THR A 63 -1.961 -1.250 -6.006 1.00 0.00 C ATOM 0 H THR A 63 0.505 -4.378 -6.378 1.00 0.00 H new ATOM 0 HA THR A 63 0.664 -1.814 -4.974 1.00 0.00 H new ATOM 0 HB THR A 63 -1.261 -3.009 -6.992 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.570 -1.108 -8.175 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.555 -0.914 -6.856 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.595 -1.813 -5.321 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.546 -0.385 -5.489 1.00 0.00 H new ATOM 942 N LEU A 64 -1.336 -2.107 -3.386 1.00 0.00 N ATOM 943 CA LEU A 64 -2.222 -2.394 -2.263 1.00 0.00 C ATOM 944 C LEU A 64 -3.614 -1.819 -2.507 1.00 0.00 C ATOM 945 O LEU A 64 -3.832 -0.617 -2.369 1.00 0.00 O ATOM 946 CB LEU A 64 -1.640 -1.821 -0.970 1.00 0.00 C ATOM 947 CG LEU A 64 -2.094 -2.494 0.326 1.00 0.00 C ATOM 948 CD1 LEU A 64 -1.581 -3.924 0.393 1.00 0.00 C ATOM 949 CD2 LEU A 64 -1.620 -1.698 1.534 1.00 0.00 C ATOM 0 H LEU A 64 -1.102 -1.120 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.308 -3.476 -2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.553 -1.882 -1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.898 -0.763 -0.916 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.184 -2.520 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.914 -4.387 1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.969 -4.490 -0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.492 -3.922 0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.952 -2.191 2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.532 -1.640 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.037 -0.692 1.493 1.00 0.00 H new ATOM 961 N ASN A 65 -4.552 -2.689 -2.868 1.00 0.00 N ATOM 962 CA ASN A 65 -5.924 -2.268 -3.130 1.00 0.00 C ATOM 963 C ASN A 65 -6.765 -2.334 -1.858 1.00 0.00 C ATOM 964 O ASN A 65 -6.485 -3.124 -0.956 1.00 0.00 O ATOM 965 CB ASN A 65 -6.550 -3.145 -4.215 1.00 0.00 C ATOM 966 CG ASN A 65 -8.043 -2.916 -4.354 1.00 0.00 C ATOM 967 OD1 ASN A 65 -8.823 -3.284 -3.475 1.00 0.00 O ATOM 968 ND2 ASN A 65 -8.447 -2.306 -5.462 1.00 0.00 N ATOM 0 H ASN A 65 -4.387 -3.689 -2.986 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.901 -1.235 -3.476 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -6.064 -2.941 -5.169 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.366 -4.194 -3.982 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.440 -2.125 -5.612 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.765 -2.019 -6.164 1.00 0.00 H new ATOM 975 N PHE A 66 -7.797 -1.499 -1.794 1.00 0.00 N ATOM 976 CA PHE A 66 -8.679 -1.462 -0.634 1.00 0.00 C ATOM 977 C PHE A 66 -10.143 -1.476 -1.063 1.00 0.00 C ATOM 978 O PHE A 66 -10.665 -0.478 -1.559 1.00 0.00 O ATOM 979 CB PHE A 66 -8.395 -0.218 0.210 1.00 0.00 C ATOM 980 CG PHE A 66 -7.039 -0.228 0.855 1.00 0.00 C ATOM 981 CD1 PHE A 66 -5.890 -0.161 0.084 1.00 0.00 C ATOM 982 CD2 PHE A 66 -6.913 -0.304 2.233 1.00 0.00 C ATOM 983 CE1 PHE A 66 -4.640 -0.170 0.674 1.00 0.00 C ATOM 984 CE2 PHE A 66 -5.666 -0.312 2.829 1.00 0.00 C ATOM 985 CZ PHE A 66 -4.528 -0.246 2.049 1.00 0.00 C ATOM 0 H PHE A 66 -8.043 -0.839 -2.532 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.486 -2.351 -0.034 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.482 0.667 -0.421 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -9.157 -0.133 0.985 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.972 -0.101 -0.991 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.799 -0.358 2.848 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.752 -0.118 0.061 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.581 -0.370 3.904 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.553 -0.254 2.513 1.00 0.00 H new ATOM 995 N SER A 67 -10.800 -2.615 -0.868 1.00 0.00 N ATOM 996 CA SER A 67 -12.203 -2.762 -1.239 1.00 0.00 C ATOM 997 C SER A 67 -13.018 -1.563 -0.765 1.00 0.00 C ATOM 998 O SER A 67 -13.716 -0.922 -1.552 1.00 0.00 O ATOM 999 CB SER A 67 -12.777 -4.050 -0.645 1.00 0.00 C ATOM 1000 OG SER A 67 -14.169 -4.148 -0.890 1.00 0.00 O ATOM 0 H SER A 67 -10.383 -3.450 -0.455 1.00 0.00 H new ATOM 0 HA SER A 67 -12.263 -2.813 -2.326 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.267 -4.912 -1.076 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.591 -4.074 0.429 1.00 0.00 H new ATOM 0 HG SER A 67 -14.512 -4.980 -0.502 1.00 0.00 H new ATOM 1006 N HIS A 68 -12.924 -1.264 0.527 1.00 0.00 N ATOM 1007 CA HIS A 68 -13.652 -0.142 1.107 1.00 0.00 C ATOM 1008 C HIS A 68 -12.913 0.418 2.319 1.00 0.00 C ATOM 1009 O HIS A 68 -12.901 -0.193 3.388 1.00 0.00 O ATOM 1010 CB HIS A 68 -15.062 -0.574 1.510 1.00 0.00 C ATOM 1011 CG HIS A 68 -15.084 -1.666 2.535 1.00 0.00 C ATOM 1012 ND1 HIS A 68 -15.347 -1.629 3.863 1.00 0.00 N flip ATOM 1013 CD2 HIS A 68 -14.810 -2.984 2.237 1.00 0.00 C flip ATOM 1014 CE1 HIS A 68 -15.230 -2.912 4.337 1.00 0.00 C flip ATOM 1015 NE2 HIS A 68 -14.906 -3.711 3.336 1.00 0.00 N flip ATOM 0 H HIS A 68 -12.351 -1.783 1.192 1.00 0.00 H new ATOM 0 HA HIS A 68 -13.722 0.641 0.352 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -15.600 0.290 1.900 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -15.598 -0.909 0.622 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.556 -3.363 1.258 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.379 -3.218 5.362 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -14.756 -4.718 3.401 1.00 0.00 H new ATOM 1024 N VAL A 69 -12.297 1.582 2.145 1.00 0.00 N ATOM 1025 CA VAL A 69 -11.556 2.224 3.224 1.00 0.00 C ATOM 1026 C VAL A 69 -12.497 2.742 4.305 1.00 0.00 C ATOM 1027 O VAL A 69 -13.655 3.062 4.035 1.00 0.00 O ATOM 1028 CB VAL A 69 -10.701 3.394 2.700 1.00 0.00 C ATOM 1029 CG1 VAL A 69 -9.685 2.898 1.682 1.00 0.00 C ATOM 1030 CG2 VAL A 69 -11.588 4.473 2.098 1.00 0.00 C ATOM 0 H VAL A 69 -12.296 2.100 1.267 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.899 1.466 3.651 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.157 3.829 3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.090 3.738 1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.030 2.163 2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -10.206 2.437 0.843 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.968 5.292 1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.160 4.054 1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.273 4.848 2.859 1.00 0.00 H new ATOM 1040 N LEU A 70 -11.993 2.822 5.532 1.00 0.00 N ATOM 1041 CA LEU A 70 -12.789 3.302 6.656 1.00 0.00 C ATOM 1042 C LEU A 70 -12.034 4.370 7.441 1.00 0.00 C ATOM 1043 O LEU A 70 -10.824 4.534 7.281 1.00 0.00 O ATOM 1044 CB LEU A 70 -13.156 2.139 7.580 1.00 0.00 C ATOM 1045 CG LEU A 70 -13.496 0.817 6.891 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -13.135 -0.359 7.785 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -14.971 0.773 6.519 1.00 0.00 C ATOM 0 H LEU A 70 -11.037 2.561 5.773 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.702 3.746 6.259 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.324 1.967 8.262 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.010 2.439 8.188 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.909 0.745 5.976 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.384 -1.291 7.278 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.067 -0.337 8.001 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.695 -0.292 8.718 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -15.195 -0.175 6.030 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.577 0.868 7.420 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -15.200 1.595 5.840 1.00 0.00 H new ATOM 1059 N LEU A 71 -12.755 5.093 8.291 1.00 0.00 N ATOM 1060 CA LEU A 71 -12.154 6.144 9.103 1.00 0.00 C ATOM 1061 C LEU A 71 -11.061 5.578 10.005 1.00 0.00 C ATOM 1062 O LEU A 71 -10.192 6.310 10.477 1.00 0.00 O ATOM 1063 CB LEU A 71 -13.223 6.836 9.950 1.00 0.00 C ATOM 1064 CG LEU A 71 -14.399 7.442 9.184 1.00 0.00 C ATOM 1065 CD1 LEU A 71 -15.446 7.977 10.148 1.00 0.00 C ATOM 1066 CD2 LEU A 71 -13.917 8.544 8.251 1.00 0.00 C ATOM 0 H LEU A 71 -13.757 4.970 8.435 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.703 6.874 8.431 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.615 6.113 10.665 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.745 7.628 10.527 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.857 6.658 8.581 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -16.275 8.404 9.584 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.814 7.164 10.774 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -15.001 8.747 10.778 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.768 8.964 7.714 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.433 9.328 8.833 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.205 8.130 7.537 1.00 0.00 H new ATOM 1078 N SER A 72 -11.112 4.271 10.237 1.00 0.00 N ATOM 1079 CA SER A 72 -10.128 3.606 11.083 1.00 0.00 C ATOM 1080 C SER A 72 -8.883 3.237 10.282 1.00 0.00 C ATOM 1081 O SER A 72 -7.841 2.908 10.850 1.00 0.00 O ATOM 1082 CB SER A 72 -10.732 2.351 11.715 1.00 0.00 C ATOM 1083 OG SER A 72 -11.382 2.657 12.936 1.00 0.00 O ATOM 0 H SER A 72 -11.824 3.651 9.851 1.00 0.00 H new ATOM 0 HA SER A 72 -9.838 4.299 11.873 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.443 1.899 11.024 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.947 1.615 11.892 1.00 0.00 H new ATOM 0 HG SER A 72 -11.761 1.838 13.319 1.00 0.00 H new ATOM 1089 N ASP A 73 -8.999 3.295 8.960 1.00 0.00 N ATOM 1090 CA ASP A 73 -7.884 2.969 8.079 1.00 0.00 C ATOM 1091 C ASP A 73 -6.989 4.185 7.862 1.00 0.00 C ATOM 1092 O ASP A 73 -5.874 4.067 7.352 1.00 0.00 O ATOM 1093 CB ASP A 73 -8.402 2.454 6.735 1.00 0.00 C ATOM 1094 CG ASP A 73 -8.980 1.056 6.834 1.00 0.00 C ATOM 1095 OD1 ASP A 73 -9.940 0.864 7.610 1.00 0.00 O ATOM 1096 OD2 ASP A 73 -8.472 0.154 6.135 1.00 0.00 O ATOM 0 H ASP A 73 -9.855 3.565 8.475 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.293 2.187 8.555 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.166 3.134 6.359 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.588 2.457 6.010 1.00 0.00 H new ATOM 1101 N THR A 74 -7.485 5.356 8.251 1.00 0.00 N ATOM 1102 CA THR A 74 -6.732 6.594 8.097 1.00 0.00 C ATOM 1103 C THR A 74 -5.427 6.545 8.884 1.00 0.00 C ATOM 1104 O THR A 74 -5.416 6.206 10.067 1.00 0.00 O ATOM 1105 CB THR A 74 -7.553 7.812 8.561 1.00 0.00 C ATOM 1106 OG1 THR A 74 -8.733 7.940 7.761 1.00 0.00 O ATOM 1107 CG2 THR A 74 -6.729 9.087 8.467 1.00 0.00 C ATOM 0 H THR A 74 -8.405 5.472 8.675 1.00 0.00 H new ATOM 0 HA THR A 74 -6.509 6.699 7.035 1.00 0.00 H new ATOM 0 HB THR A 74 -7.836 7.657 9.602 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.251 8.715 8.063 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.329 9.934 8.800 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.846 8.997 9.100 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.420 9.245 7.434 1.00 0.00 H new ATOM 1115 N GLY A 75 -4.327 6.888 8.220 1.00 0.00 N ATOM 1116 CA GLY A 75 -3.032 6.877 8.873 1.00 0.00 C ATOM 1117 C GLY A 75 -1.883 6.889 7.885 1.00 0.00 C ATOM 1118 O GLY A 75 -1.931 7.591 6.874 1.00 0.00 O ATOM 0 H GLY A 75 -4.310 7.173 7.241 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.952 7.744 9.529 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.955 5.992 9.504 1.00 0.00 H new ATOM 1122 N VAL A 76 -0.845 6.112 8.176 1.00 0.00 N ATOM 1123 CA VAL A 76 0.322 6.036 7.305 1.00 0.00 C ATOM 1124 C VAL A 76 0.662 4.589 6.966 1.00 0.00 C ATOM 1125 O VAL A 76 0.742 3.736 7.850 1.00 0.00 O ATOM 1126 CB VAL A 76 1.550 6.703 7.953 1.00 0.00 C ATOM 1127 CG1 VAL A 76 2.806 6.402 7.150 1.00 0.00 C ATOM 1128 CG2 VAL A 76 1.335 8.203 8.081 1.00 0.00 C ATOM 0 H VAL A 76 -0.788 5.526 9.009 1.00 0.00 H new ATOM 0 HA VAL A 76 0.069 6.570 6.389 1.00 0.00 H new ATOM 0 HB VAL A 76 1.681 6.291 8.954 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.663 6.881 7.622 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.966 5.324 7.115 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.690 6.784 6.136 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.212 8.658 8.541 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.179 8.634 7.092 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.460 8.393 8.702 1.00 0.00 H new ATOM 1138 N TYR A 77 0.862 4.320 5.681 1.00 0.00 N ATOM 1139 CA TYR A 77 1.192 2.975 5.224 1.00 0.00 C ATOM 1140 C TYR A 77 2.634 2.906 4.732 1.00 0.00 C ATOM 1141 O TYR A 77 3.087 3.765 3.975 1.00 0.00 O ATOM 1142 CB TYR A 77 0.239 2.544 4.108 1.00 0.00 C ATOM 1143 CG TYR A 77 -1.193 2.377 4.565 1.00 0.00 C ATOM 1144 CD1 TYR A 77 -1.967 3.479 4.905 1.00 0.00 C ATOM 1145 CD2 TYR A 77 -1.771 1.117 4.654 1.00 0.00 C ATOM 1146 CE1 TYR A 77 -3.275 3.331 5.324 1.00 0.00 C ATOM 1147 CE2 TYR A 77 -3.079 0.960 5.071 1.00 0.00 C ATOM 1148 CZ TYR A 77 -3.827 2.069 5.405 1.00 0.00 C ATOM 1149 OH TYR A 77 -5.130 1.918 5.820 1.00 0.00 O ATOM 0 H TYR A 77 0.801 5.015 4.937 1.00 0.00 H new ATOM 0 HA TYR A 77 1.082 2.295 6.068 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.272 3.283 3.308 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.589 1.602 3.686 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.539 4.468 4.841 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.189 0.246 4.393 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.862 4.198 5.587 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.513 -0.027 5.135 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.337 2.592 6.501 1.00 0.00 H new ATOM 1159 N THR A 78 3.352 1.875 5.166 1.00 0.00 N ATOM 1160 CA THR A 78 4.743 1.691 4.772 1.00 0.00 C ATOM 1161 C THR A 78 4.928 0.393 3.994 1.00 0.00 C ATOM 1162 O THR A 78 4.673 -0.694 4.514 1.00 0.00 O ATOM 1163 CB THR A 78 5.678 1.680 5.996 1.00 0.00 C ATOM 1164 OG1 THR A 78 5.482 2.868 6.773 1.00 0.00 O ATOM 1165 CG2 THR A 78 7.134 1.585 5.565 1.00 0.00 C ATOM 0 H THR A 78 2.992 1.154 5.791 1.00 0.00 H new ATOM 0 HA THR A 78 5.003 2.535 4.133 1.00 0.00 H new ATOM 0 HB THR A 78 5.437 0.806 6.601 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.861 3.636 6.297 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.775 1.579 6.447 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.287 0.666 4.999 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.385 2.442 4.940 1.00 0.00 H new ATOM 1173 N CYS A 79 5.372 0.513 2.748 1.00 0.00 N ATOM 1174 CA CYS A 79 5.590 -0.652 1.899 1.00 0.00 C ATOM 1175 C CYS A 79 7.016 -1.172 2.045 1.00 0.00 C ATOM 1176 O CYS A 79 7.974 -0.400 2.022 1.00 0.00 O ATOM 1177 CB CYS A 79 5.310 -0.303 0.436 1.00 0.00 C ATOM 1178 SG CYS A 79 5.507 -1.691 -0.705 1.00 0.00 S ATOM 0 H CYS A 79 5.588 1.405 2.303 1.00 0.00 H new ATOM 0 HA CYS A 79 4.902 -1.435 2.217 1.00 0.00 H new ATOM 0 HB2 CYS A 79 4.293 0.080 0.353 1.00 0.00 H new ATOM 0 HB3 CYS A 79 5.979 0.502 0.131 1.00 0.00 H new ATOM 0 HG CYS A 79 5.257 -1.295 -1.918 1.00 0.00 H new ATOM 1184 N MET A 80 7.149 -2.486 2.198 1.00 0.00 N ATOM 1185 CA MET A 80 8.458 -3.109 2.349 1.00 0.00 C ATOM 1186 C MET A 80 8.855 -3.856 1.080 1.00 0.00 C ATOM 1187 O MET A 80 8.015 -4.470 0.421 1.00 0.00 O ATOM 1188 CB MET A 80 8.455 -4.069 3.541 1.00 0.00 C ATOM 1189 CG MET A 80 7.964 -3.434 4.831 1.00 0.00 C ATOM 1190 SD MET A 80 8.332 -4.439 6.283 1.00 0.00 S ATOM 1191 CE MET A 80 6.806 -4.272 7.206 1.00 0.00 C ATOM 0 H MET A 80 6.366 -3.139 2.221 1.00 0.00 H new ATOM 0 HA MET A 80 9.189 -2.321 2.528 1.00 0.00 H new ATOM 0 HB2 MET A 80 7.825 -4.926 3.305 1.00 0.00 H new ATOM 0 HB3 MET A 80 9.465 -4.448 3.694 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.424 -2.453 4.947 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.888 -3.275 4.767 1.00 0.00 H new ATOM 0 HE1 MET A 80 6.885 -4.825 8.142 1.00 0.00 H new ATOM 0 HE2 MET A 80 6.624 -3.219 7.421 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.979 -4.670 6.618 1.00 0.00 H new ATOM 1201 N VAL A 81 10.139 -3.800 0.743 1.00 0.00 N ATOM 1202 CA VAL A 81 10.647 -4.473 -0.448 1.00 0.00 C ATOM 1203 C VAL A 81 11.988 -5.142 -0.171 1.00 0.00 C ATOM 1204 O VAL A 81 12.996 -4.470 0.051 1.00 0.00 O ATOM 1205 CB VAL A 81 10.809 -3.489 -1.622 1.00 0.00 C ATOM 1206 CG1 VAL A 81 11.336 -4.209 -2.853 1.00 0.00 C ATOM 1207 CG2 VAL A 81 9.487 -2.798 -1.923 1.00 0.00 C ATOM 0 H VAL A 81 10.847 -3.296 1.277 1.00 0.00 H new ATOM 0 HA VAL A 81 9.914 -5.233 -0.719 1.00 0.00 H new ATOM 0 HB VAL A 81 11.535 -2.727 -1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.444 -3.498 -3.672 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.306 -4.653 -2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.637 -4.993 -3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.619 -2.106 -2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.738 -3.545 -2.187 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.155 -2.247 -1.043 1.00 0.00 H new ATOM 1217 N THR A 82 11.995 -6.471 -0.185 1.00 0.00 N ATOM 1218 CA THR A 82 13.212 -7.232 0.065 1.00 0.00 C ATOM 1219 C THR A 82 13.589 -8.080 -1.145 1.00 0.00 C ATOM 1220 O THR A 82 12.738 -8.737 -1.743 1.00 0.00 O ATOM 1221 CB THR A 82 13.059 -8.150 1.293 1.00 0.00 C ATOM 1222 OG1 THR A 82 12.431 -7.435 2.363 1.00 0.00 O ATOM 1223 CG2 THR A 82 14.412 -8.672 1.750 1.00 0.00 C ATOM 0 H THR A 82 11.170 -7.043 -0.367 1.00 0.00 H new ATOM 0 HA THR A 82 14.003 -6.507 0.258 1.00 0.00 H new ATOM 0 HB THR A 82 12.437 -8.999 1.010 1.00 0.00 H new ATOM 0 HG1 THR A 82 12.336 -8.025 3.139 1.00 0.00 H new ATOM 0 HG21 THR A 82 14.279 -9.318 2.618 1.00 0.00 H new ATOM 0 HG22 THR A 82 14.874 -9.240 0.943 1.00 0.00 H new ATOM 0 HG23 THR A 82 15.054 -7.833 2.017 1.00 0.00 H new ATOM 1231 N ASN A 83 14.870 -8.061 -1.500 1.00 0.00 N ATOM 1232 CA ASN A 83 15.359 -8.828 -2.639 1.00 0.00 C ATOM 1233 C ASN A 83 16.747 -9.395 -2.357 1.00 0.00 C ATOM 1234 O ASN A 83 17.366 -9.076 -1.342 1.00 0.00 O ATOM 1235 CB ASN A 83 15.398 -7.951 -3.892 1.00 0.00 C ATOM 1236 CG ASN A 83 15.443 -8.769 -5.169 1.00 0.00 C ATOM 1237 OD1 ASN A 83 14.315 -9.373 -5.524 1.00 0.00 O flip ATOM 1238 ND2 ASN A 83 16.480 -8.856 -5.827 1.00 0.00 N flip ATOM 0 H ASN A 83 15.588 -7.523 -1.015 1.00 0.00 H new ATOM 0 HA ASN A 83 14.674 -9.659 -2.807 1.00 0.00 H new ATOM 0 HB2 ASN A 83 14.520 -7.306 -3.908 1.00 0.00 H new ATOM 0 HB3 ASN A 83 16.271 -7.300 -3.850 1.00 0.00 H new ATOM 0 HD21 ASN A 83 17.323 -8.374 -5.516 1.00 0.00 H new ATOM 0 HD22 ASN A 83 16.496 -9.410 -6.684 1.00 0.00 H new ATOM 1245 N VAL A 84 17.232 -10.237 -3.264 1.00 0.00 N ATOM 1246 CA VAL A 84 18.548 -10.847 -3.115 1.00 0.00 C ATOM 1247 C VAL A 84 19.654 -9.858 -3.460 1.00 0.00 C ATOM 1248 O VAL A 84 20.817 -10.064 -3.112 1.00 0.00 O ATOM 1249 CB VAL A 84 18.692 -12.095 -4.007 1.00 0.00 C ATOM 1250 CG1 VAL A 84 18.347 -11.762 -5.451 1.00 0.00 C ATOM 1251 CG2 VAL A 84 20.100 -12.662 -3.904 1.00 0.00 C ATOM 0 H VAL A 84 16.733 -10.512 -4.110 1.00 0.00 H new ATOM 0 HA VAL A 84 18.644 -11.143 -2.070 1.00 0.00 H new ATOM 0 HB VAL A 84 17.992 -12.854 -3.657 1.00 0.00 H new ATOM 0 HG11 VAL A 84 18.454 -12.655 -6.066 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.319 -11.405 -5.506 1.00 0.00 H new ATOM 0 HG13 VAL A 84 19.020 -10.987 -5.817 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.185 -13.543 -4.540 1.00 0.00 H new ATOM 0 HG22 VAL A 84 20.820 -11.910 -4.228 1.00 0.00 H new ATOM 0 HG23 VAL A 84 20.306 -12.940 -2.870 1.00 0.00 H new ATOM 1261 N ALA A 85 19.285 -8.781 -4.147 1.00 0.00 N ATOM 1262 CA ALA A 85 20.247 -7.758 -4.537 1.00 0.00 C ATOM 1263 C ALA A 85 20.275 -6.617 -3.526 1.00 0.00 C ATOM 1264 O ALA A 85 21.342 -6.175 -3.103 1.00 0.00 O ATOM 1265 CB ALA A 85 19.919 -7.228 -5.925 1.00 0.00 C ATOM 0 H ALA A 85 18.327 -8.595 -4.444 1.00 0.00 H new ATOM 0 HA ALA A 85 21.237 -8.214 -4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 85 20.645 -6.465 -6.204 1.00 0.00 H new ATOM 0 HB2 ALA A 85 19.957 -8.045 -6.645 1.00 0.00 H new ATOM 0 HB3 ALA A 85 18.919 -6.794 -5.922 1.00 0.00 H new ATOM 1271 N GLY A 86 19.093 -6.142 -3.144 1.00 0.00 N ATOM 1272 CA GLY A 86 19.005 -5.055 -2.186 1.00 0.00 C ATOM 1273 C GLY A 86 17.635 -4.958 -1.543 1.00 0.00 C ATOM 1274 O GLY A 86 16.736 -5.734 -1.863 1.00 0.00 O ATOM 0 H GLY A 86 18.195 -6.490 -3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.758 -5.197 -1.410 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.236 -4.114 -2.686 1.00 0.00 H new ATOM 1278 N ASN A 87 17.477 -4.003 -0.632 1.00 0.00 N ATOM 1279 CA ASN A 87 16.207 -3.809 0.059 1.00 0.00 C ATOM 1280 C ASN A 87 15.813 -2.336 0.067 1.00 0.00 C ATOM 1281 O ASN A 87 16.662 -1.454 -0.059 1.00 0.00 O ATOM 1282 CB ASN A 87 16.299 -4.333 1.493 1.00 0.00 C ATOM 1283 CG ASN A 87 16.812 -5.759 1.557 1.00 0.00 C ATOM 1284 OD1 ASN A 87 16.936 -6.432 0.534 1.00 0.00 O ATOM 1285 ND2 ASN A 87 17.113 -6.226 2.763 1.00 0.00 N ATOM 0 H ASN A 87 18.212 -3.352 -0.355 1.00 0.00 H new ATOM 0 HA ASN A 87 15.440 -4.369 -0.476 1.00 0.00 H new ATOM 0 HB2 ASN A 87 16.959 -3.686 2.071 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.315 -4.283 1.959 1.00 0.00 H new ATOM 0 HD21 ASN A 87 17.463 -7.178 2.868 1.00 0.00 H new ATOM 0 HD22 ASN A 87 16.995 -5.632 3.584 1.00 0.00 H new ATOM 1292 N SER A 88 14.518 -2.077 0.218 1.00 0.00 N ATOM 1293 CA SER A 88 14.009 -0.710 0.241 1.00 0.00 C ATOM 1294 C SER A 88 12.562 -0.677 0.723 1.00 0.00 C ATOM 1295 O SER A 88 11.897 -1.709 0.795 1.00 0.00 O ATOM 1296 CB SER A 88 14.109 -0.083 -1.151 1.00 0.00 C ATOM 1297 OG SER A 88 14.114 1.332 -1.074 1.00 0.00 O ATOM 0 H SER A 88 13.802 -2.795 0.326 1.00 0.00 H new ATOM 0 HA SER A 88 14.619 -0.133 0.937 1.00 0.00 H new ATOM 0 HB2 SER A 88 15.019 -0.427 -1.644 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.270 -0.414 -1.763 1.00 0.00 H new ATOM 0 HG SER A 88 14.180 1.708 -1.976 1.00 0.00 H new ATOM 1303 N ASN A 89 12.081 0.518 1.051 1.00 0.00 N ATOM 1304 CA ASN A 89 10.713 0.687 1.527 1.00 0.00 C ATOM 1305 C ASN A 89 10.217 2.105 1.262 1.00 0.00 C ATOM 1306 O ASN A 89 11.010 3.026 1.070 1.00 0.00 O ATOM 1307 CB ASN A 89 10.629 0.377 3.023 1.00 0.00 C ATOM 1308 CG ASN A 89 11.785 0.974 3.803 1.00 0.00 C ATOM 1309 OD1 ASN A 89 12.492 1.854 3.311 1.00 0.00 O ATOM 1310 ND2 ASN A 89 11.982 0.497 5.026 1.00 0.00 N ATOM 0 H ASN A 89 12.618 1.383 0.996 1.00 0.00 H new ATOM 0 HA ASN A 89 10.076 -0.010 0.982 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.689 0.763 3.419 1.00 0.00 H new ATOM 0 HB3 ASN A 89 10.616 -0.703 3.167 1.00 0.00 H new ATOM 0 HD21 ASN A 89 12.744 0.860 5.598 1.00 0.00 H new ATOM 0 HD22 ASN A 89 11.371 -0.233 5.393 1.00 0.00 H new ATOM 1317 N ALA A 90 8.898 2.272 1.252 1.00 0.00 N ATOM 1318 CA ALA A 90 8.295 3.578 1.013 1.00 0.00 C ATOM 1319 C ALA A 90 7.145 3.837 1.980 1.00 0.00 C ATOM 1320 O ALA A 90 6.646 2.916 2.627 1.00 0.00 O ATOM 1321 CB ALA A 90 7.811 3.680 -0.426 1.00 0.00 C ATOM 0 H ALA A 90 8.227 1.519 1.407 1.00 0.00 H new ATOM 0 HA ALA A 90 9.056 4.339 1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.363 4.660 -0.591 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.654 3.548 -1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.068 2.905 -0.616 1.00 0.00 H new ATOM 1327 N SER A 91 6.729 5.096 2.075 1.00 0.00 N ATOM 1328 CA SER A 91 5.640 5.476 2.966 1.00 0.00 C ATOM 1329 C SER A 91 4.582 6.283 2.219 1.00 0.00 C ATOM 1330 O SER A 91 4.814 6.748 1.104 1.00 0.00 O ATOM 1331 CB SER A 91 6.178 6.288 4.146 1.00 0.00 C ATOM 1332 OG SER A 91 6.783 5.446 5.111 1.00 0.00 O ATOM 0 H SER A 91 7.130 5.870 1.545 1.00 0.00 H new ATOM 0 HA SER A 91 5.177 4.564 3.342 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.905 7.017 3.788 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.365 6.848 4.607 1.00 0.00 H new ATOM 0 HG SER A 91 7.120 5.989 5.854 1.00 0.00 H new ATOM 1338 N ALA A 92 3.420 6.444 2.843 1.00 0.00 N ATOM 1339 CA ALA A 92 2.327 7.195 2.239 1.00 0.00 C ATOM 1340 C ALA A 92 1.195 7.415 3.237 1.00 0.00 C ATOM 1341 O ALA A 92 0.977 6.599 4.133 1.00 0.00 O ATOM 1342 CB ALA A 92 1.811 6.474 1.002 1.00 0.00 C ATOM 0 H ALA A 92 3.211 6.064 3.766 1.00 0.00 H new ATOM 0 HA ALA A 92 2.710 8.172 1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.995 7.046 0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 92 2.618 6.374 0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.450 5.484 1.282 1.00 0.00 H new ATOM 1348 N TYR A 93 0.477 8.521 3.076 1.00 0.00 N ATOM 1349 CA TYR A 93 -0.631 8.849 3.966 1.00 0.00 C ATOM 1350 C TYR A 93 -1.970 8.665 3.258 1.00 0.00 C ATOM 1351 O TYR A 93 -2.115 8.999 2.082 1.00 0.00 O ATOM 1352 CB TYR A 93 -0.500 10.288 4.468 1.00 0.00 C ATOM 1353 CG TYR A 93 -1.401 10.604 5.641 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -2.691 11.079 5.444 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -0.961 10.425 6.947 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -3.516 11.370 6.513 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -1.780 10.712 8.022 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.056 11.184 7.800 1.00 0.00 C ATOM 1359 OH TYR A 93 -3.876 11.471 8.867 1.00 0.00 O ATOM 0 H TYR A 93 0.642 9.205 2.338 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.594 8.170 4.818 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.535 10.471 4.756 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.729 10.972 3.650 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.055 11.223 4.438 1.00 0.00 H new ATOM 0 HD2 TYR A 93 0.038 10.055 7.125 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.516 11.741 6.342 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.422 10.567 9.031 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.401 11.284 9.704 1.00 0.00 H new ATOM 1369 N LEU A 94 -2.946 8.131 3.984 1.00 0.00 N ATOM 1370 CA LEU A 94 -4.275 7.902 3.428 1.00 0.00 C ATOM 1371 C LEU A 94 -5.342 8.607 4.259 1.00 0.00 C ATOM 1372 O LEU A 94 -5.552 8.277 5.426 1.00 0.00 O ATOM 1373 CB LEU A 94 -4.571 6.403 3.362 1.00 0.00 C ATOM 1374 CG LEU A 94 -6.028 6.016 3.104 1.00 0.00 C ATOM 1375 CD1 LEU A 94 -6.331 6.044 1.614 1.00 0.00 C ATOM 1376 CD2 LEU A 94 -6.327 4.642 3.686 1.00 0.00 C ATOM 0 H LEU A 94 -2.842 7.849 4.959 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.295 8.314 2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.955 5.966 2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.257 5.949 4.302 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.671 6.744 3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.372 5.766 1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.158 7.048 1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.681 5.338 1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.368 4.384 3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.677 3.901 3.221 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.150 4.656 4.761 1.00 0.00 H new ATOM 1388 N ASN A 95 -6.016 9.577 3.649 1.00 0.00 N ATOM 1389 CA ASN A 95 -7.063 10.327 4.333 1.00 0.00 C ATOM 1390 C ASN A 95 -8.442 9.772 3.990 1.00 0.00 C ATOM 1391 O ASN A 95 -8.800 9.648 2.819 1.00 0.00 O ATOM 1392 CB ASN A 95 -6.988 11.808 3.955 1.00 0.00 C ATOM 1393 CG ASN A 95 -8.112 12.619 4.570 1.00 0.00 C ATOM 1394 OD1 ASN A 95 -8.793 12.161 5.488 1.00 0.00 O ATOM 1395 ND2 ASN A 95 -8.311 13.831 4.066 1.00 0.00 N ATOM 0 H ASN A 95 -5.856 9.862 2.683 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.907 10.225 5.407 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.030 12.215 4.279 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -7.025 11.906 2.870 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -9.053 14.423 4.440 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.722 14.170 3.305 1.00 0.00 H new ATOM 1402 N VAL A 96 -9.213 9.439 5.021 1.00 0.00 N ATOM 1403 CA VAL A 96 -10.554 8.899 4.830 1.00 0.00 C ATOM 1404 C VAL A 96 -11.610 9.833 5.408 1.00 0.00 C ATOM 1405 O VAL A 96 -11.719 9.987 6.625 1.00 0.00 O ATOM 1406 CB VAL A 96 -10.698 7.512 5.483 1.00 0.00 C ATOM 1407 CG1 VAL A 96 -12.068 6.922 5.187 1.00 0.00 C ATOM 1408 CG2 VAL A 96 -9.593 6.581 5.007 1.00 0.00 C ATOM 0 H VAL A 96 -8.932 9.534 5.997 1.00 0.00 H new ATOM 0 HA VAL A 96 -10.707 8.804 3.755 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.604 7.627 6.563 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.151 5.942 5.657 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.841 7.581 5.583 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -12.195 6.820 4.109 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -9.711 5.605 5.479 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -9.652 6.470 3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -8.623 7.000 5.276 1.00 0.00 H new ATOM 1418 N SER A 97 -12.388 10.455 4.528 1.00 0.00 N ATOM 1419 CA SER A 97 -13.435 11.378 4.951 1.00 0.00 C ATOM 1420 C SER A 97 -14.799 10.695 4.937 1.00 0.00 C ATOM 1421 O SER A 97 -15.126 9.956 4.009 1.00 0.00 O ATOM 1422 CB SER A 97 -13.458 12.608 4.040 1.00 0.00 C ATOM 1423 OG SER A 97 -12.246 13.335 4.135 1.00 0.00 O ATOM 0 H SER A 97 -12.313 10.337 3.518 1.00 0.00 H new ATOM 0 HA SER A 97 -13.217 11.694 5.971 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.619 12.297 3.008 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.294 13.251 4.313 1.00 0.00 H new ATOM 0 HG SER A 97 -12.285 14.115 3.543 1.00 0.00 H new ATOM 1429 N SER A 98 -15.591 10.948 5.974 1.00 0.00 N ATOM 1430 CA SER A 98 -16.919 10.356 6.084 1.00 0.00 C ATOM 1431 C SER A 98 -17.773 10.706 4.870 1.00 0.00 C ATOM 1432 O SER A 98 -17.524 11.699 4.187 1.00 0.00 O ATOM 1433 CB SER A 98 -17.610 10.834 7.363 1.00 0.00 C ATOM 1434 OG SER A 98 -16.813 10.564 8.504 1.00 0.00 O ATOM 0 H SER A 98 -15.336 11.559 6.750 1.00 0.00 H new ATOM 0 HA SER A 98 -16.804 9.273 6.125 1.00 0.00 H new ATOM 0 HB2 SER A 98 -17.805 11.904 7.297 1.00 0.00 H new ATOM 0 HB3 SER A 98 -18.576 10.340 7.465 1.00 0.00 H new ATOM 0 HG SER A 98 -17.275 10.880 9.308 1.00 0.00 H new