USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 687 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 82 SER OG : rot 160:sc= -2.33 USER MOD Set 1.2: A 86 THR OG1 : rot 180:sc= -0.104 USER MOD Set 2.1: A 83 THR OG1 : rot 58:sc= 0.0324 USER MOD Set 2.2: A 84 ASN : amide:sc= 0.0323 K(o=0.065,f=-1) USER MOD Single : A 12 HIS : no HD1:sc= -4.1! C(o=-4.1!,f=-5.8!) USER MOD Single : A 20 ASN : amide:sc= -0.36 X(o=-0.36,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.015 K(o=-0.015,f=-1.2!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0916 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0657 USER MOD Single : A 60 ASN :FLIP amide:sc= -2.84! C(o=-4.9!,f=-2.8!) USER MOD Single : A 64 LYS NZ :NH3+ 175:sc= -0.136 (180deg=-0.158) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -2.33 X(o=-2.3,f=-2.5!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.407 USER MOD Single : A 73 SER OG : rot 3:sc= 0.566 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 14:sc= 0.462 USER MOD Single : A 77 ASN : amide:sc= -0.733 K(o=-0.73,f=-1.7!) USER MOD Single : A 79 THR OG1 : rot 155:sc= 0.404 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN :FLIP amide:sc= -0.0876 F(o=-0.76,f=-0.088) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 12.522 5.781 -1.177 1.00 0.00 N ATOM 72 CA VAL A 6 12.716 5.296 0.175 1.00 0.00 C ATOM 73 C VAL A 6 13.982 4.447 0.272 1.00 0.00 C ATOM 74 O VAL A 6 14.330 3.726 -0.666 1.00 0.00 O ATOM 75 CB VAL A 6 11.497 4.466 0.620 1.00 0.00 C ATOM 76 CG1 VAL A 6 11.683 3.032 0.228 1.00 0.00 C ATOM 77 CG2 VAL A 6 11.244 4.601 2.117 1.00 0.00 C ATOM 0 HA VAL A 6 12.825 6.158 0.833 1.00 0.00 H new ATOM 0 HB VAL A 6 10.614 4.854 0.112 1.00 0.00 H new ATOM 0 HG11 VAL A 6 10.817 2.452 0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 6 11.789 2.962 -0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 6 12.579 2.637 0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.377 4.002 2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 6 12.118 4.251 2.667 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.056 5.647 2.361 1.00 0.00 H new ATOM 87 N TRP A 7 14.661 4.526 1.408 1.00 0.00 N ATOM 88 CA TRP A 7 15.879 3.756 1.619 1.00 0.00 C ATOM 89 C TRP A 7 15.687 2.737 2.736 1.00 0.00 C ATOM 90 O TRP A 7 15.213 3.073 3.821 1.00 0.00 O ATOM 91 CB TRP A 7 17.042 4.693 1.945 1.00 0.00 C ATOM 92 CG TRP A 7 17.315 5.683 0.855 1.00 0.00 C ATOM 93 CD1 TRP A 7 16.711 6.895 0.680 1.00 0.00 C ATOM 94 CD2 TRP A 7 18.253 5.541 -0.216 1.00 0.00 C ATOM 95 NE1 TRP A 7 17.218 7.517 -0.437 1.00 0.00 N ATOM 96 CE2 TRP A 7 18.167 6.706 -1.003 1.00 0.00 C ATOM 97 CE3 TRP A 7 19.159 4.544 -0.585 1.00 0.00 C ATOM 98 CZ2 TRP A 7 18.953 6.898 -2.136 1.00 0.00 C ATOM 99 CZ3 TRP A 7 19.939 4.736 -1.711 1.00 0.00 C ATOM 100 CH2 TRP A 7 19.832 5.905 -2.475 1.00 0.00 C ATOM 0 H TRP A 7 14.390 5.114 2.196 1.00 0.00 H new ATOM 0 HA TRP A 7 16.110 3.214 0.702 1.00 0.00 H new ATOM 0 HB2 TRP A 7 16.823 5.228 2.869 1.00 0.00 H new ATOM 0 HB3 TRP A 7 17.940 4.101 2.125 1.00 0.00 H new ATOM 0 HD1 TRP A 7 15.947 7.305 1.324 1.00 0.00 H new ATOM 0 HE1 TRP A 7 16.934 8.432 -0.787 1.00 0.00 H new ATOM 0 HE3 TRP A 7 19.249 3.640 -0.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 18.872 7.799 -2.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 20.642 3.972 -2.006 1.00 0.00 H new ATOM 0 HH2 TRP A 7 20.455 6.025 -3.349 1.00 0.00 H new ATOM 111 N GLY A 8 16.053 1.488 2.462 1.00 0.00 N ATOM 112 CA GLY A 8 15.903 0.441 3.466 1.00 0.00 C ATOM 113 C GLY A 8 16.979 -0.623 3.370 1.00 0.00 C ATOM 114 O GLY A 8 17.861 -0.543 2.516 1.00 0.00 O ATOM 0 H GLY A 8 16.447 1.181 1.573 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.930 0.890 4.459 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.925 -0.027 3.354 1.00 0.00 H new ATOM 118 N ALA A 9 16.911 -1.623 4.248 1.00 0.00 N ATOM 119 CA ALA A 9 17.894 -2.701 4.250 1.00 0.00 C ATOM 120 C ALA A 9 17.216 -4.064 4.257 1.00 0.00 C ATOM 121 O ALA A 9 16.278 -4.301 5.018 1.00 0.00 O ATOM 122 CB ALA A 9 18.828 -2.573 5.440 1.00 0.00 C ATOM 0 H ALA A 9 16.189 -1.707 4.963 1.00 0.00 H new ATOM 0 HA ALA A 9 18.480 -2.617 3.335 1.00 0.00 H new ATOM 0 HB1 ALA A 9 19.553 -3.387 5.423 1.00 0.00 H new ATOM 0 HB2 ALA A 9 19.352 -1.619 5.390 1.00 0.00 H new ATOM 0 HB3 ALA A 9 18.250 -2.622 6.363 1.00 0.00 H new ATOM 128 N LEU A 10 17.701 -4.960 3.409 1.00 0.00 N ATOM 129 CA LEU A 10 17.143 -6.306 3.316 1.00 0.00 C ATOM 130 C LEU A 10 17.109 -6.978 4.682 1.00 0.00 C ATOM 131 O LEU A 10 18.069 -6.904 5.448 1.00 0.00 O ATOM 132 CB LEU A 10 17.966 -7.152 2.338 1.00 0.00 C ATOM 133 CG LEU A 10 17.160 -8.048 1.394 1.00 0.00 C ATOM 134 CD1 LEU A 10 16.707 -7.264 0.172 1.00 0.00 C ATOM 135 CD2 LEU A 10 17.991 -9.249 0.979 1.00 0.00 C ATOM 0 H LEU A 10 18.480 -4.781 2.775 1.00 0.00 H new ATOM 0 HA LEU A 10 16.120 -6.225 2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 10 18.582 -6.483 1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 10 18.646 -7.780 2.913 1.00 0.00 H new ATOM 0 HG LEU A 10 16.273 -8.402 1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 10 16.136 -7.917 -0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.081 -6.429 0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 10 17.579 -6.884 -0.360 1.00 0.00 H new ATOM 0 HD21 LEU A 10 17.409 -9.880 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 10 18.892 -8.909 0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.270 -9.821 1.864 1.00 0.00 H new ATOM 147 N GLY A 11 15.992 -7.629 4.983 1.00 0.00 N ATOM 148 CA GLY A 11 15.848 -8.300 6.258 1.00 0.00 C ATOM 149 C GLY A 11 15.329 -7.382 7.348 1.00 0.00 C ATOM 150 O GLY A 11 15.000 -7.840 8.443 1.00 0.00 O ATOM 0 H GLY A 11 15.184 -7.703 4.366 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.167 -9.144 6.145 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.813 -8.707 6.561 1.00 0.00 H new ATOM 154 N HIS A 12 15.251 -6.084 7.057 1.00 0.00 N ATOM 155 CA HIS A 12 14.768 -5.119 8.027 1.00 0.00 C ATOM 156 C HIS A 12 13.374 -4.633 7.627 1.00 0.00 C ATOM 157 O HIS A 12 12.917 -4.888 6.512 1.00 0.00 O ATOM 158 CB HIS A 12 15.776 -3.963 8.133 1.00 0.00 C ATOM 159 CG HIS A 12 15.175 -2.612 8.334 1.00 0.00 C ATOM 160 ND1 HIS A 12 14.847 -1.793 7.283 1.00 0.00 N ATOM 161 CD2 HIS A 12 14.873 -1.924 9.459 1.00 0.00 C ATOM 162 CE1 HIS A 12 14.371 -0.650 7.748 1.00 0.00 C ATOM 163 NE2 HIS A 12 14.375 -0.706 9.067 1.00 0.00 N ATOM 0 H HIS A 12 15.517 -5.683 6.158 1.00 0.00 H new ATOM 0 HA HIS A 12 14.680 -5.581 9.010 1.00 0.00 H new ATOM 0 HB2 HIS A 12 16.454 -4.168 8.961 1.00 0.00 H new ATOM 0 HB3 HIS A 12 16.379 -3.943 7.225 1.00 0.00 H new ATOM 0 HD2 HIS A 12 15.000 -2.268 10.475 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.036 0.186 7.151 1.00 0.00 H new ATOM 0 HE2 HIS A 12 14.059 0.035 9.693 1.00 0.00 H new ATOM 172 N GLY A 13 12.701 -3.951 8.545 1.00 0.00 N ATOM 173 CA GLY A 13 11.361 -3.456 8.265 1.00 0.00 C ATOM 174 C GLY A 13 11.362 -2.312 7.271 1.00 0.00 C ATOM 175 O GLY A 13 12.393 -2.003 6.684 1.00 0.00 O ATOM 0 H GLY A 13 13.055 -3.731 9.476 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.750 -4.271 7.876 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.897 -3.125 9.194 1.00 0.00 H new ATOM 179 N ILE A 14 10.199 -1.688 7.087 1.00 0.00 N ATOM 180 CA ILE A 14 10.052 -0.564 6.160 1.00 0.00 C ATOM 181 C ILE A 14 8.580 -0.325 5.838 1.00 0.00 C ATOM 182 O ILE A 14 7.822 -1.268 5.599 1.00 0.00 O ATOM 183 CB ILE A 14 10.836 -0.784 4.844 1.00 0.00 C ATOM 184 CG1 ILE A 14 10.755 0.454 3.948 1.00 0.00 C ATOM 185 CG2 ILE A 14 10.319 -2.010 4.109 1.00 0.00 C ATOM 186 CD1 ILE A 14 12.007 1.304 3.990 1.00 0.00 C ATOM 0 H ILE A 14 9.338 -1.944 7.571 1.00 0.00 H new ATOM 0 HA ILE A 14 10.468 0.312 6.658 1.00 0.00 H new ATOM 0 HB ILE A 14 11.882 -0.952 5.098 1.00 0.00 H new ATOM 0 HG12 ILE A 14 10.572 0.139 2.921 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.902 1.060 4.253 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.884 -2.146 3.187 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.438 -2.890 4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 14 9.264 -1.874 3.872 1.00 0.00 H new ATOM 0 HD11 ILE A 14 11.884 2.165 3.333 1.00 0.00 H new ATOM 0 HD12 ILE A 14 12.180 1.647 5.010 1.00 0.00 H new ATOM 0 HD13 ILE A 14 12.860 0.712 3.657 1.00 0.00 H new ATOM 198 N ASP A 15 8.177 0.942 5.843 1.00 0.00 N ATOM 199 CA ASP A 15 6.794 1.304 5.559 1.00 0.00 C ATOM 200 C ASP A 15 6.704 2.205 4.331 1.00 0.00 C ATOM 201 O ASP A 15 7.457 3.171 4.201 1.00 0.00 O ATOM 202 CB ASP A 15 6.172 2.006 6.768 1.00 0.00 C ATOM 203 CG ASP A 15 4.726 1.607 6.989 1.00 0.00 C ATOM 204 OD1 ASP A 15 4.438 0.393 6.983 1.00 0.00 O ATOM 205 OD2 ASP A 15 3.883 2.511 7.170 1.00 0.00 O ATOM 0 H ASP A 15 8.789 1.734 6.041 1.00 0.00 H new ATOM 0 HA ASP A 15 6.241 0.388 5.353 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.752 1.769 7.660 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.231 3.085 6.628 1.00 0.00 H new ATOM 210 N LEU A 16 5.768 1.892 3.442 1.00 0.00 N ATOM 211 CA LEU A 16 5.563 2.683 2.230 1.00 0.00 C ATOM 212 C LEU A 16 4.508 3.755 2.492 1.00 0.00 C ATOM 213 O LEU A 16 3.317 3.455 2.583 1.00 0.00 O ATOM 214 CB LEU A 16 5.115 1.775 1.069 1.00 0.00 C ATOM 215 CG LEU A 16 6.172 1.394 0.005 1.00 0.00 C ATOM 216 CD1 LEU A 16 7.570 1.900 0.341 1.00 0.00 C ATOM 217 CD2 LEU A 16 6.201 -0.114 -0.187 1.00 0.00 C ATOM 0 H LEU A 16 5.138 1.096 3.536 1.00 0.00 H new ATOM 0 HA LEU A 16 6.503 3.161 1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.722 0.853 1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.287 2.267 0.558 1.00 0.00 H new ATOM 0 HG LEU A 16 5.872 1.884 -0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.264 1.600 -0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.555 2.987 0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.892 1.475 1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.948 -0.371 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.455 -0.596 0.757 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.221 -0.458 -0.518 1.00 0.00 H new ATOM 229 N ASP A 17 4.947 5.002 2.635 1.00 0.00 N ATOM 230 CA ASP A 17 4.029 6.104 2.913 1.00 0.00 C ATOM 231 C ASP A 17 3.478 6.728 1.636 1.00 0.00 C ATOM 232 O ASP A 17 4.228 7.210 0.787 1.00 0.00 O ATOM 233 CB ASP A 17 4.720 7.176 3.751 1.00 0.00 C ATOM 234 CG ASP A 17 5.247 6.636 5.066 1.00 0.00 C ATOM 235 OD1 ASP A 17 4.453 6.039 5.823 1.00 0.00 O ATOM 236 OD2 ASP A 17 6.454 6.808 5.337 1.00 0.00 O ATOM 0 H ASP A 17 5.927 5.275 2.564 1.00 0.00 H new ATOM 0 HA ASP A 17 3.190 5.687 3.471 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.545 7.603 3.181 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.018 7.986 3.950 1.00 0.00 H new ATOM 241 N ILE A 18 2.155 6.722 1.522 1.00 0.00 N ATOM 242 CA ILE A 18 1.468 7.288 0.368 1.00 0.00 C ATOM 243 C ILE A 18 1.351 8.808 0.484 1.00 0.00 C ATOM 244 O ILE A 18 0.744 9.317 1.426 1.00 0.00 O ATOM 245 CB ILE A 18 0.054 6.695 0.237 1.00 0.00 C ATOM 246 CG1 ILE A 18 0.128 5.171 0.160 1.00 0.00 C ATOM 247 CG2 ILE A 18 -0.663 7.263 -0.982 1.00 0.00 C ATOM 248 CD1 ILE A 18 -1.077 4.551 -0.504 1.00 0.00 C ATOM 0 H ILE A 18 1.530 6.326 2.224 1.00 0.00 H new ATOM 0 HA ILE A 18 2.058 7.040 -0.514 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.520 6.972 1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.025 4.884 -0.389 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.228 4.767 1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.660 6.829 -1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.745 8.346 -0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.097 7.022 -1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.962 3.467 -0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.975 4.809 0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.165 4.928 -1.523 1.00 0.00 H new ATOM 260 N PRO A 19 1.931 9.560 -0.469 1.00 0.00 N ATOM 261 CA PRO A 19 1.879 11.027 -0.451 1.00 0.00 C ATOM 262 C PRO A 19 0.452 11.572 -0.515 1.00 0.00 C ATOM 263 O PRO A 19 -0.346 11.165 -1.360 1.00 0.00 O ATOM 264 CB PRO A 19 2.662 11.435 -1.705 1.00 0.00 C ATOM 265 CG PRO A 19 3.493 10.246 -2.048 1.00 0.00 C ATOM 266 CD PRO A 19 2.687 9.052 -1.628 1.00 0.00 C ATOM 0 HA PRO A 19 2.291 11.427 0.475 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.989 11.695 -2.522 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.284 12.309 -1.514 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.711 10.215 -3.116 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.451 10.274 -1.528 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.026 8.710 -2.424 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.323 8.209 -1.358 1.00 0.00 H new ATOM 274 N ASN A 20 0.153 12.511 0.379 1.00 0.00 N ATOM 275 CA ASN A 20 -1.163 13.155 0.441 1.00 0.00 C ATOM 276 C ASN A 20 -2.322 12.163 0.288 1.00 0.00 C ATOM 277 O ASN A 20 -3.076 12.226 -0.685 1.00 0.00 O ATOM 278 CB ASN A 20 -1.264 14.236 -0.636 1.00 0.00 C ATOM 279 CG ASN A 20 -0.742 15.578 -0.159 1.00 0.00 C ATOM 280 OD1 ASN A 20 -1.412 16.601 -0.293 1.00 0.00 O ATOM 281 ND2 ASN A 20 0.462 15.578 0.401 1.00 0.00 N ATOM 0 H ASN A 20 0.812 12.849 1.081 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.251 13.599 1.432 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.702 13.922 -1.516 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.304 14.342 -0.944 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.866 16.451 0.741 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.982 14.705 0.492 1.00 0.00 H new ATOM 288 N PHE A 21 -2.472 11.260 1.254 1.00 0.00 N ATOM 289 CA PHE A 21 -3.546 10.280 1.228 1.00 0.00 C ATOM 290 C PHE A 21 -4.083 10.033 2.636 1.00 0.00 C ATOM 291 O PHE A 21 -3.348 10.137 3.618 1.00 0.00 O ATOM 292 CB PHE A 21 -3.035 8.982 0.609 1.00 0.00 C ATOM 293 CG PHE A 21 -3.809 7.761 1.001 1.00 0.00 C ATOM 294 CD1 PHE A 21 -5.117 7.591 0.587 1.00 0.00 C ATOM 295 CD2 PHE A 21 -3.227 6.790 1.790 1.00 0.00 C ATOM 296 CE1 PHE A 21 -5.834 6.468 0.959 1.00 0.00 C ATOM 297 CE2 PHE A 21 -3.933 5.663 2.165 1.00 0.00 C ATOM 298 CZ PHE A 21 -5.241 5.503 1.749 1.00 0.00 C ATOM 0 H PHE A 21 -1.859 11.190 2.066 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.366 10.664 0.621 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.058 9.078 -0.477 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -1.992 8.843 0.895 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.584 8.342 -0.033 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.206 6.913 2.119 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.856 6.346 0.632 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.464 4.910 2.781 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.798 4.625 2.041 1.00 0.00 H new ATOM 308 N GLN A 22 -5.369 9.709 2.726 1.00 0.00 N ATOM 309 CA GLN A 22 -6.003 9.449 4.014 1.00 0.00 C ATOM 310 C GLN A 22 -7.019 8.317 3.903 1.00 0.00 C ATOM 311 O GLN A 22 -8.013 8.430 3.184 1.00 0.00 O ATOM 312 CB GLN A 22 -6.687 10.715 4.533 1.00 0.00 C ATOM 313 CG GLN A 22 -5.780 11.593 5.380 1.00 0.00 C ATOM 314 CD GLN A 22 -6.382 12.955 5.659 1.00 0.00 C ATOM 315 OE1 GLN A 22 -7.196 13.458 4.884 1.00 0.00 O ATOM 316 NE2 GLN A 22 -5.985 13.562 6.771 1.00 0.00 N ATOM 0 H GLN A 22 -5.992 9.620 1.923 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.227 9.148 4.718 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -7.051 11.295 3.685 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.558 10.431 5.123 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.574 11.091 6.325 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -4.825 11.720 4.871 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.308 13.109 7.385 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.357 14.481 7.011 1.00 0.00 H new ATOM 325 N MET A 23 -6.763 7.227 4.618 1.00 0.00 N ATOM 326 CA MET A 23 -7.656 6.074 4.600 1.00 0.00 C ATOM 327 C MET A 23 -8.868 6.310 5.496 1.00 0.00 C ATOM 328 O MET A 23 -8.928 5.812 6.621 1.00 0.00 O ATOM 329 CB MET A 23 -6.910 4.817 5.051 1.00 0.00 C ATOM 330 CG MET A 23 -7.724 3.542 4.905 1.00 0.00 C ATOM 331 SD MET A 23 -8.367 2.942 6.480 1.00 0.00 S ATOM 332 CE MET A 23 -8.306 1.171 6.218 1.00 0.00 C ATOM 0 H MET A 23 -5.945 7.118 5.217 1.00 0.00 H new ATOM 0 HA MET A 23 -8.005 5.933 3.577 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.993 4.721 4.470 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.616 4.933 6.094 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.555 3.722 4.223 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.103 2.769 4.453 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.673 0.659 7.107 1.00 0.00 H new ATOM 0 HE2 MET A 23 -8.930 0.908 5.364 1.00 0.00 H new ATOM 0 HE3 MET A 23 -7.277 0.867 6.023 1.00 0.00 H new ATOM 342 N THR A 24 -9.831 7.072 4.991 1.00 0.00 N ATOM 343 CA THR A 24 -11.042 7.375 5.744 1.00 0.00 C ATOM 344 C THR A 24 -12.238 6.616 5.177 1.00 0.00 C ATOM 345 O THR A 24 -12.090 5.778 4.288 1.00 0.00 O ATOM 346 CB THR A 24 -11.320 8.879 5.720 1.00 0.00 C ATOM 347 OG1 THR A 24 -11.605 9.315 4.402 1.00 0.00 O ATOM 348 CG2 THR A 24 -10.166 9.709 6.238 1.00 0.00 C ATOM 0 H THR A 24 -9.797 7.492 4.062 1.00 0.00 H new ATOM 0 HA THR A 24 -10.888 7.058 6.775 1.00 0.00 H new ATOM 0 HB THR A 24 -12.176 9.025 6.379 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.782 10.279 4.407 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.429 10.766 6.194 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.953 9.431 7.270 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.284 9.529 5.624 1.00 0.00 H new ATOM 356 N ASP A 25 -13.425 6.915 5.698 1.00 0.00 N ATOM 357 CA ASP A 25 -14.646 6.260 5.243 1.00 0.00 C ATOM 358 C ASP A 25 -14.854 6.474 3.747 1.00 0.00 C ATOM 359 O ASP A 25 -15.359 5.596 3.048 1.00 0.00 O ATOM 360 CB ASP A 25 -15.853 6.791 6.019 1.00 0.00 C ATOM 361 CG ASP A 25 -16.099 6.023 7.302 1.00 0.00 C ATOM 362 OD1 ASP A 25 -15.355 6.246 8.281 1.00 0.00 O ATOM 363 OD2 ASP A 25 -17.036 5.197 7.330 1.00 0.00 O ATOM 0 H ASP A 25 -13.566 7.606 6.435 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.545 5.190 5.427 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -15.696 7.844 6.254 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -16.740 6.734 5.389 1.00 0.00 H new ATOM 368 N ASP A 26 -14.461 7.648 3.263 1.00 0.00 N ATOM 369 CA ASP A 26 -14.603 7.978 1.849 1.00 0.00 C ATOM 370 C ASP A 26 -13.830 6.992 0.977 1.00 0.00 C ATOM 371 O ASP A 26 -14.158 6.795 -0.193 1.00 0.00 O ATOM 372 CB ASP A 26 -14.112 9.402 1.586 1.00 0.00 C ATOM 373 CG ASP A 26 -15.101 10.451 2.053 1.00 0.00 C ATOM 374 OD1 ASP A 26 -16.268 10.408 1.609 1.00 0.00 O ATOM 375 OD2 ASP A 26 -14.710 11.315 2.866 1.00 0.00 O ATOM 0 H ASP A 26 -14.042 8.386 3.829 1.00 0.00 H new ATOM 0 HA ASP A 26 -15.660 7.910 1.591 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -13.159 9.554 2.093 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -13.929 9.529 0.519 1.00 0.00 H new ATOM 380 N ILE A 27 -12.805 6.374 1.555 1.00 0.00 N ATOM 381 CA ILE A 27 -11.987 5.410 0.837 1.00 0.00 C ATOM 382 C ILE A 27 -12.704 4.054 0.754 1.00 0.00 C ATOM 383 O ILE A 27 -13.175 3.542 1.770 1.00 0.00 O ATOM 384 CB ILE A 27 -10.620 5.252 1.535 1.00 0.00 C ATOM 385 CG1 ILE A 27 -9.841 6.570 1.468 1.00 0.00 C ATOM 386 CG2 ILE A 27 -9.807 4.122 0.915 1.00 0.00 C ATOM 387 CD1 ILE A 27 -9.731 7.140 0.068 1.00 0.00 C ATOM 0 H ILE A 27 -12.522 6.526 2.523 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.824 5.776 -0.177 1.00 0.00 H new ATOM 0 HB ILE A 27 -10.800 4.997 2.579 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.327 7.303 2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.839 6.411 1.866 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -8.850 4.037 1.430 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -10.355 3.185 1.011 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.634 4.335 -0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.167 8.072 0.098 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.218 6.426 -0.576 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.729 7.332 -0.326 1.00 0.00 H new ATOM 399 N ASP A 28 -12.808 3.479 -0.451 1.00 0.00 N ATOM 400 CA ASP A 28 -13.489 2.205 -0.628 1.00 0.00 C ATOM 401 C ASP A 28 -12.515 1.089 -0.981 1.00 0.00 C ATOM 402 O ASP A 28 -12.612 -0.009 -0.437 1.00 0.00 O ATOM 403 CB ASP A 28 -14.550 2.328 -1.722 1.00 0.00 C ATOM 404 CG ASP A 28 -15.824 1.583 -1.380 1.00 0.00 C ATOM 405 OD1 ASP A 28 -16.579 2.064 -0.509 1.00 0.00 O ATOM 406 OD2 ASP A 28 -16.070 0.518 -1.985 1.00 0.00 O ATOM 0 H ASP A 28 -12.429 3.879 -1.309 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.964 1.949 0.319 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.781 3.381 -1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.148 1.943 -2.659 1.00 0.00 H new ATOM 411 N GLU A 29 -11.590 1.350 -1.907 1.00 0.00 N ATOM 412 CA GLU A 29 -10.646 0.310 -2.311 1.00 0.00 C ATOM 413 C GLU A 29 -9.203 0.823 -2.410 1.00 0.00 C ATOM 414 O GLU A 29 -8.897 1.690 -3.229 1.00 0.00 O ATOM 415 CB GLU A 29 -11.088 -0.285 -3.653 1.00 0.00 C ATOM 416 CG GLU A 29 -10.207 -1.419 -4.153 1.00 0.00 C ATOM 417 CD GLU A 29 -10.630 -1.922 -5.520 1.00 0.00 C ATOM 418 OE1 GLU A 29 -11.214 -1.130 -6.289 1.00 0.00 O ATOM 419 OE2 GLU A 29 -10.378 -3.107 -5.820 1.00 0.00 O ATOM 0 H GLU A 29 -11.476 2.247 -2.379 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.653 -0.457 -1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.111 -0.650 -3.557 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.101 0.507 -4.402 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.173 -1.078 -4.199 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.240 -2.243 -3.440 1.00 0.00 H new ATOM 426 N VAL A 30 -8.316 0.252 -1.588 1.00 0.00 N ATOM 427 CA VAL A 30 -6.895 0.620 -1.598 1.00 0.00 C ATOM 428 C VAL A 30 -6.064 -0.529 -2.164 1.00 0.00 C ATOM 429 O VAL A 30 -6.015 -1.609 -1.580 1.00 0.00 O ATOM 430 CB VAL A 30 -6.363 0.969 -0.187 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.018 1.674 -0.283 1.00 0.00 C ATOM 432 CG2 VAL A 30 -7.370 1.822 0.570 1.00 0.00 C ATOM 0 H VAL A 30 -8.557 -0.468 -0.906 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.804 1.508 -2.223 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.222 0.041 0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.659 1.912 0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.300 1.022 -0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.130 2.594 -0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.977 2.057 1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.548 2.747 0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.307 1.274 0.672 1.00 0.00 H new ATOM 442 N ARG A 31 -5.428 -0.309 -3.312 1.00 0.00 N ATOM 443 CA ARG A 31 -4.630 -1.359 -3.945 1.00 0.00 C ATOM 444 C ARG A 31 -3.139 -1.035 -3.948 1.00 0.00 C ATOM 445 O ARG A 31 -2.724 0.059 -4.325 1.00 0.00 O ATOM 446 CB ARG A 31 -5.103 -1.603 -5.383 1.00 0.00 C ATOM 447 CG ARG A 31 -6.560 -1.240 -5.625 1.00 0.00 C ATOM 448 CD ARG A 31 -7.115 -1.948 -6.851 1.00 0.00 C ATOM 449 NE ARG A 31 -7.191 -3.395 -6.660 1.00 0.00 N ATOM 450 CZ ARG A 31 -7.531 -4.252 -7.620 1.00 0.00 C ATOM 451 NH1 ARG A 31 -7.826 -3.814 -8.837 1.00 0.00 N ATOM 452 NH2 ARG A 31 -7.576 -5.552 -7.362 1.00 0.00 N ATOM 0 H ARG A 31 -5.448 0.576 -3.819 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.774 -2.262 -3.351 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.477 -1.025 -6.063 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.955 -2.654 -5.630 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.153 -1.507 -4.750 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.651 -0.161 -5.754 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.108 -1.559 -7.075 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.485 -1.729 -7.713 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.971 -3.770 -5.737 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.793 -2.815 -9.041 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.086 -4.476 -9.568 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.350 -5.895 -6.428 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.837 -6.209 -8.097 1.00 0.00 H new ATOM 466 N TRP A 32 -2.340 -2.024 -3.552 1.00 0.00 N ATOM 467 CA TRP A 32 -0.889 -1.897 -3.528 1.00 0.00 C ATOM 468 C TRP A 32 -0.298 -2.820 -4.587 1.00 0.00 C ATOM 469 O TRP A 32 0.032 -3.971 -4.303 1.00 0.00 O ATOM 470 CB TRP A 32 -0.334 -2.264 -2.148 1.00 0.00 C ATOM 471 CG TRP A 32 -0.489 -1.184 -1.118 1.00 0.00 C ATOM 472 CD1 TRP A 32 -1.557 -0.977 -0.290 1.00 0.00 C ATOM 473 CD2 TRP A 32 0.467 -0.168 -0.801 1.00 0.00 C ATOM 474 NE1 TRP A 32 -1.321 0.109 0.521 1.00 0.00 N ATOM 475 CE2 TRP A 32 -0.086 0.623 0.224 1.00 0.00 C ATOM 476 CE3 TRP A 32 1.735 0.148 -1.287 1.00 0.00 C ATOM 477 CZ2 TRP A 32 0.593 1.713 0.770 1.00 0.00 C ATOM 478 CZ3 TRP A 32 2.406 1.228 -0.747 1.00 0.00 C ATOM 479 CH2 TRP A 32 1.834 1.999 0.272 1.00 0.00 C ATOM 0 H TRP A 32 -2.682 -2.933 -3.240 1.00 0.00 H new ATOM 0 HA TRP A 32 -0.616 -0.863 -3.738 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -0.837 -3.164 -1.794 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.724 -2.508 -2.247 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -2.454 -1.578 -0.275 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.961 0.472 1.228 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.185 -0.441 -2.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 0.155 2.309 1.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.388 1.482 -1.117 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.384 2.837 0.673 1.00 0.00 H new ATOM 490 N GLU A 33 -0.200 -2.322 -5.816 1.00 0.00 N ATOM 491 CA GLU A 33 0.313 -3.130 -6.916 1.00 0.00 C ATOM 492 C GLU A 33 1.770 -2.819 -7.234 1.00 0.00 C ATOM 493 O GLU A 33 2.215 -1.676 -7.137 1.00 0.00 O ATOM 494 CB GLU A 33 -0.543 -2.925 -8.168 1.00 0.00 C ATOM 495 CG GLU A 33 -2.009 -3.272 -7.965 1.00 0.00 C ATOM 496 CD GLU A 33 -2.904 -2.662 -9.026 1.00 0.00 C ATOM 497 OE1 GLU A 33 -3.289 -1.483 -8.872 1.00 0.00 O ATOM 498 OE2 GLU A 33 -3.221 -3.364 -10.009 1.00 0.00 O ATOM 0 H GLU A 33 -0.466 -1.372 -6.073 1.00 0.00 H new ATOM 0 HA GLU A 33 0.260 -4.171 -6.598 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.465 -1.885 -8.485 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.142 -3.536 -8.977 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.127 -4.356 -7.974 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.328 -2.925 -6.982 1.00 0.00 H new ATOM 505 N ARG A 34 2.494 -3.857 -7.635 1.00 0.00 N ATOM 506 CA ARG A 34 3.897 -3.735 -8.000 1.00 0.00 C ATOM 507 C ARG A 34 4.163 -4.542 -9.264 1.00 0.00 C ATOM 508 O ARG A 34 3.965 -5.758 -9.285 1.00 0.00 O ATOM 509 CB ARG A 34 4.794 -4.225 -6.861 1.00 0.00 C ATOM 510 CG ARG A 34 6.117 -3.485 -6.767 1.00 0.00 C ATOM 511 CD ARG A 34 7.160 -4.300 -6.020 1.00 0.00 C ATOM 512 NE ARG A 34 7.375 -5.609 -6.632 1.00 0.00 N ATOM 513 CZ ARG A 34 8.048 -5.795 -7.764 1.00 0.00 C ATOM 514 NH1 ARG A 34 8.572 -4.761 -8.411 1.00 0.00 N ATOM 515 NH2 ARG A 34 8.197 -7.019 -8.253 1.00 0.00 N ATOM 0 H ARG A 34 2.125 -4.804 -7.716 1.00 0.00 H new ATOM 0 HA ARG A 34 4.126 -2.686 -8.186 1.00 0.00 H new ATOM 0 HB2 ARG A 34 4.260 -4.118 -5.917 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.991 -5.288 -6.997 1.00 0.00 H new ATOM 0 HG2 ARG A 34 6.480 -3.259 -7.769 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.967 -2.532 -6.260 1.00 0.00 H new ATOM 0 HD2 ARG A 34 8.101 -3.751 -5.999 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.844 -4.431 -4.985 1.00 0.00 H new ATOM 0 HE ARG A 34 6.986 -6.428 -6.164 1.00 0.00 H new ATOM 0 HH11 ARG A 34 8.460 -3.817 -8.040 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.087 -4.910 -9.279 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.795 -7.817 -7.761 1.00 0.00 H new ATOM 0 HH22 ARG A 34 8.713 -7.162 -9.121 1.00 0.00 H new ATOM 529 N GLY A 35 4.586 -3.864 -10.325 1.00 0.00 N ATOM 530 CA GLY A 35 4.840 -4.553 -11.575 1.00 0.00 C ATOM 531 C GLY A 35 3.610 -5.279 -12.073 1.00 0.00 C ATOM 532 O GLY A 35 2.600 -4.657 -12.403 1.00 0.00 O ATOM 0 H GLY A 35 4.756 -2.858 -10.342 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.168 -3.835 -12.326 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.653 -5.266 -11.439 1.00 0.00 H new ATOM 536 N SER A 36 3.694 -6.597 -12.112 1.00 0.00 N ATOM 537 CA SER A 36 2.579 -7.425 -12.558 1.00 0.00 C ATOM 538 C SER A 36 2.128 -8.367 -11.444 1.00 0.00 C ATOM 539 O SER A 36 1.900 -9.554 -11.677 1.00 0.00 O ATOM 540 CB SER A 36 2.977 -8.229 -13.797 1.00 0.00 C ATOM 541 OG SER A 36 3.229 -7.376 -14.900 1.00 0.00 O ATOM 0 H SER A 36 4.525 -7.122 -11.840 1.00 0.00 H new ATOM 0 HA SER A 36 1.747 -6.769 -12.815 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.867 -8.820 -13.580 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.182 -8.930 -14.050 1.00 0.00 H new ATOM 0 HG SER A 36 3.483 -7.914 -15.678 1.00 0.00 H new ATOM 547 N THR A 37 2.011 -7.834 -10.229 1.00 0.00 N ATOM 548 CA THR A 37 1.599 -8.637 -9.080 1.00 0.00 C ATOM 549 C THR A 37 0.952 -7.771 -8.001 1.00 0.00 C ATOM 550 O THR A 37 1.164 -6.558 -7.954 1.00 0.00 O ATOM 551 CB THR A 37 2.814 -9.367 -8.500 1.00 0.00 C ATOM 552 OG1 THR A 37 3.352 -10.273 -9.447 1.00 0.00 O ATOM 553 CG2 THR A 37 2.513 -10.149 -7.239 1.00 0.00 C ATOM 0 H THR A 37 2.195 -6.854 -10.016 1.00 0.00 H new ATOM 0 HA THR A 37 0.860 -9.363 -9.419 1.00 0.00 H new ATOM 0 HB THR A 37 3.525 -8.579 -8.251 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.128 -10.729 -9.059 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.422 -10.638 -6.888 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.146 -9.470 -6.469 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.754 -10.902 -7.450 1.00 0.00 H new ATOM 561 N LEU A 38 0.182 -8.406 -7.119 1.00 0.00 N ATOM 562 CA LEU A 38 -0.470 -7.694 -6.021 1.00 0.00 C ATOM 563 C LEU A 38 0.308 -7.919 -4.735 1.00 0.00 C ATOM 564 O LEU A 38 0.884 -8.987 -4.526 1.00 0.00 O ATOM 565 CB LEU A 38 -1.918 -8.163 -5.819 1.00 0.00 C ATOM 566 CG LEU A 38 -3.004 -7.233 -6.366 1.00 0.00 C ATOM 567 CD1 LEU A 38 -4.376 -7.778 -6.009 1.00 0.00 C ATOM 568 CD2 LEU A 38 -2.827 -5.825 -5.816 1.00 0.00 C ATOM 0 H LEU A 38 -0.005 -9.408 -7.143 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.487 -6.634 -6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.032 -9.140 -6.289 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.089 -8.301 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.916 -7.186 -7.451 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.145 -7.112 -6.401 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.498 -8.770 -6.445 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.471 -7.844 -4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.608 -5.178 -6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.896 -5.848 -4.728 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.851 -5.440 -6.110 1.00 0.00 H new ATOM 580 N VAL A 39 0.319 -6.916 -3.874 1.00 0.00 N ATOM 581 CA VAL A 39 1.023 -7.017 -2.610 1.00 0.00 C ATOM 582 C VAL A 39 0.046 -6.910 -1.445 1.00 0.00 C ATOM 583 O VAL A 39 0.152 -7.641 -0.459 1.00 0.00 O ATOM 584 CB VAL A 39 2.108 -5.926 -2.496 1.00 0.00 C ATOM 585 CG1 VAL A 39 2.627 -5.820 -1.070 1.00 0.00 C ATOM 586 CG2 VAL A 39 3.251 -6.217 -3.465 1.00 0.00 C ATOM 0 H VAL A 39 -0.151 -6.024 -4.028 1.00 0.00 H new ATOM 0 HA VAL A 39 1.510 -7.991 -2.572 1.00 0.00 H new ATOM 0 HB VAL A 39 1.661 -4.968 -2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.391 -5.044 -1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.805 -5.566 -0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.058 -6.774 -0.768 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.011 -5.440 -3.375 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.692 -7.185 -3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.868 -6.234 -4.485 1.00 0.00 H new ATOM 596 N ALA A 40 -0.910 -5.998 -1.571 1.00 0.00 N ATOM 597 CA ALA A 40 -1.911 -5.795 -0.531 1.00 0.00 C ATOM 598 C ALA A 40 -3.028 -4.871 -0.998 1.00 0.00 C ATOM 599 O ALA A 40 -2.809 -3.683 -1.233 1.00 0.00 O ATOM 600 CB ALA A 40 -1.260 -5.234 0.722 1.00 0.00 C ATOM 0 H ALA A 40 -1.013 -5.388 -2.382 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.354 -6.765 -0.304 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.018 -5.087 1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.506 -5.933 1.084 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.788 -4.279 0.490 1.00 0.00 H new ATOM 606 N GLU A 41 -4.233 -5.417 -1.124 1.00 0.00 N ATOM 607 CA GLU A 41 -5.376 -4.636 -1.551 1.00 0.00 C ATOM 608 C GLU A 41 -6.438 -4.603 -0.455 1.00 0.00 C ATOM 609 O GLU A 41 -6.572 -5.543 0.327 1.00 0.00 O ATOM 610 CB GLU A 41 -5.951 -5.211 -2.849 1.00 0.00 C ATOM 611 CG GLU A 41 -7.270 -5.937 -2.664 1.00 0.00 C ATOM 612 CD GLU A 41 -7.604 -6.861 -3.819 1.00 0.00 C ATOM 613 OE1 GLU A 41 -6.679 -7.518 -4.341 1.00 0.00 O ATOM 614 OE2 GLU A 41 -8.791 -6.926 -4.202 1.00 0.00 O ATOM 0 H GLU A 41 -4.438 -6.398 -0.935 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.053 -3.612 -1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.090 -4.401 -3.565 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.226 -5.899 -3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.233 -6.516 -1.741 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.069 -5.204 -2.549 1.00 0.00 H new ATOM 621 N PHE A 42 -7.178 -3.510 -0.409 1.00 0.00 N ATOM 622 CA PHE A 42 -8.222 -3.323 0.576 1.00 0.00 C ATOM 623 C PHE A 42 -9.538 -2.945 -0.091 1.00 0.00 C ATOM 624 O PHE A 42 -9.557 -2.442 -1.215 1.00 0.00 O ATOM 625 CB PHE A 42 -7.804 -2.229 1.548 1.00 0.00 C ATOM 626 CG PHE A 42 -8.869 -1.872 2.543 1.00 0.00 C ATOM 627 CD1 PHE A 42 -9.799 -0.892 2.242 1.00 0.00 C ATOM 628 CD2 PHE A 42 -8.947 -2.516 3.768 1.00 0.00 C ATOM 629 CE1 PHE A 42 -10.788 -0.555 3.143 1.00 0.00 C ATOM 630 CE2 PHE A 42 -9.937 -2.184 4.675 1.00 0.00 C ATOM 631 CZ PHE A 42 -10.860 -1.203 4.361 1.00 0.00 C ATOM 0 H PHE A 42 -7.070 -2.728 -1.055 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.369 -4.260 1.113 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.911 -2.552 2.084 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.532 -1.337 0.983 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.750 -0.385 1.290 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.229 -3.283 4.016 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.505 0.214 2.896 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.989 -2.690 5.628 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.636 -0.944 5.067 1.00 0.00 H new ATOM 748 N PRO A 48 -10.170 -8.254 1.491 1.00 0.00 N ATOM 749 CA PRO A 48 -8.952 -7.762 0.850 1.00 0.00 C ATOM 750 C PRO A 48 -8.048 -8.890 0.359 1.00 0.00 C ATOM 751 O PRO A 48 -8.400 -10.067 0.452 1.00 0.00 O ATOM 752 CB PRO A 48 -8.271 -6.983 1.972 1.00 0.00 C ATOM 753 CG PRO A 48 -8.685 -7.674 3.226 1.00 0.00 C ATOM 754 CD PRO A 48 -10.042 -8.283 2.963 1.00 0.00 C ATOM 0 HA PRO A 48 -9.166 -7.171 -0.041 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -7.187 -6.990 1.856 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -8.584 -5.939 1.974 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -7.963 -8.443 3.500 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -8.732 -6.971 4.057 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -10.104 -9.301 3.349 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -10.836 -7.711 3.444 1.00 0.00 H new ATOM 762 N PHE A 49 -6.880 -8.522 -0.164 1.00 0.00 N ATOM 763 CA PHE A 49 -5.921 -9.499 -0.670 1.00 0.00 C ATOM 764 C PHE A 49 -4.526 -9.240 -0.113 1.00 0.00 C ATOM 765 O PHE A 49 -3.850 -8.298 -0.524 1.00 0.00 O ATOM 766 CB PHE A 49 -5.874 -9.464 -2.201 1.00 0.00 C ATOM 767 CG PHE A 49 -4.740 -10.265 -2.786 1.00 0.00 C ATOM 768 CD1 PHE A 49 -4.870 -11.628 -2.990 1.00 0.00 C ATOM 769 CD2 PHE A 49 -3.538 -9.654 -3.122 1.00 0.00 C ATOM 770 CE1 PHE A 49 -3.829 -12.368 -3.519 1.00 0.00 C ATOM 771 CE2 PHE A 49 -2.495 -10.388 -3.648 1.00 0.00 C ATOM 772 CZ PHE A 49 -2.639 -11.747 -3.848 1.00 0.00 C ATOM 0 H PHE A 49 -6.576 -7.552 -0.248 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.251 -10.485 -0.342 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.817 -9.843 -2.594 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.785 -8.429 -2.530 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.797 -12.120 -2.733 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.419 -8.591 -2.969 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.946 -13.430 -3.675 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.566 -9.900 -3.903 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.824 -12.323 -4.260 1.00 0.00 H new ATOM 782 N LEU A 50 -4.092 -10.089 0.811 1.00 0.00 N ATOM 783 CA LEU A 50 -2.774 -9.959 1.405 1.00 0.00 C ATOM 784 C LEU A 50 -1.799 -10.929 0.742 1.00 0.00 C ATOM 785 O LEU A 50 -1.947 -12.145 0.862 1.00 0.00 O ATOM 786 CB LEU A 50 -2.850 -10.237 2.909 1.00 0.00 C ATOM 787 CG LEU A 50 -2.994 -8.999 3.797 1.00 0.00 C ATOM 788 CD1 LEU A 50 -2.951 -9.387 5.266 1.00 0.00 C ATOM 789 CD2 LEU A 50 -1.904 -7.988 3.479 1.00 0.00 C ATOM 0 H LEU A 50 -4.638 -10.875 1.163 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.416 -8.941 1.249 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.695 -10.899 3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.951 -10.776 3.208 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.961 -8.539 3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.055 -8.493 5.882 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.768 -10.075 5.485 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.000 -9.871 5.487 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.021 -7.114 4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.927 -8.439 3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.981 -7.686 2.435 1.00 0.00 H new ATOM 801 N LYS A 51 -0.806 -10.390 0.033 1.00 0.00 N ATOM 802 CA LYS A 51 0.182 -11.220 -0.652 1.00 0.00 C ATOM 803 C LYS A 51 0.713 -12.324 0.261 1.00 0.00 C ATOM 804 O LYS A 51 0.831 -13.478 -0.151 1.00 0.00 O ATOM 805 CB LYS A 51 1.339 -10.359 -1.157 1.00 0.00 C ATOM 806 CG LYS A 51 2.420 -11.149 -1.879 1.00 0.00 C ATOM 807 CD LYS A 51 3.472 -10.232 -2.481 1.00 0.00 C ATOM 808 CE LYS A 51 3.926 -10.725 -3.845 1.00 0.00 C ATOM 809 NZ LYS A 51 5.222 -10.116 -4.254 1.00 0.00 N ATOM 0 H LYS A 51 -0.666 -9.386 -0.081 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.312 -11.692 -1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.946 -9.598 -1.831 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.787 -9.836 -0.312 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.894 -11.840 -1.182 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.967 -11.751 -2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.068 -9.224 -2.573 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.330 -10.171 -1.811 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.026 -11.810 -3.824 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.164 -10.489 -4.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.496 -10.478 -5.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.121 -9.082 -4.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.956 -10.362 -3.559 1.00 0.00 H new ATOM 823 N SER A 52 1.031 -11.962 1.499 1.00 0.00 N ATOM 824 CA SER A 52 1.548 -12.927 2.463 1.00 0.00 C ATOM 825 C SER A 52 1.754 -12.282 3.830 1.00 0.00 C ATOM 826 O SER A 52 1.740 -11.058 3.961 1.00 0.00 O ATOM 827 CB SER A 52 2.867 -13.521 1.964 1.00 0.00 C ATOM 828 OG SER A 52 3.950 -12.646 2.223 1.00 0.00 O ATOM 0 H SER A 52 0.941 -11.012 1.858 1.00 0.00 H new ATOM 0 HA SER A 52 0.812 -13.724 2.567 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.045 -14.480 2.451 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.800 -13.715 0.894 1.00 0.00 H new ATOM 0 HG SER A 52 4.781 -13.049 1.896 1.00 0.00 H new ATOM 834 N GLY A 53 1.938 -13.119 4.847 1.00 0.00 N ATOM 835 CA GLY A 53 2.138 -12.612 6.203 1.00 0.00 C ATOM 836 C GLY A 53 3.290 -11.619 6.308 1.00 0.00 C ATOM 837 O GLY A 53 3.434 -10.951 7.331 1.00 0.00 O ATOM 0 H GLY A 53 1.953 -14.135 4.762 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.221 -12.132 6.544 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.327 -13.450 6.873 1.00 0.00 H new ATOM 841 N ALA A 54 4.121 -11.514 5.261 1.00 0.00 N ATOM 842 CA ALA A 54 5.253 -10.593 5.282 1.00 0.00 C ATOM 843 C ALA A 54 4.816 -9.140 5.107 1.00 0.00 C ATOM 844 O ALA A 54 5.650 -8.234 5.088 1.00 0.00 O ATOM 845 CB ALA A 54 6.262 -10.975 4.210 1.00 0.00 C ATOM 0 H ALA A 54 4.028 -12.052 4.400 1.00 0.00 H new ATOM 0 HA ALA A 54 5.722 -10.674 6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.101 -10.280 4.236 1.00 0.00 H new ATOM 0 HB2 ALA A 54 6.623 -11.987 4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.786 -10.932 3.230 1.00 0.00 H new ATOM 851 N PHE A 55 3.513 -8.917 4.984 1.00 0.00 N ATOM 852 CA PHE A 55 2.985 -7.568 4.817 1.00 0.00 C ATOM 853 C PHE A 55 1.807 -7.319 5.748 1.00 0.00 C ATOM 854 O PHE A 55 1.132 -8.252 6.183 1.00 0.00 O ATOM 855 CB PHE A 55 2.542 -7.329 3.373 1.00 0.00 C ATOM 856 CG PHE A 55 3.617 -7.584 2.358 1.00 0.00 C ATOM 857 CD1 PHE A 55 4.591 -6.633 2.123 1.00 0.00 C ATOM 858 CD2 PHE A 55 3.647 -8.764 1.633 1.00 0.00 C ATOM 859 CE1 PHE A 55 5.579 -6.848 1.184 1.00 0.00 C ATOM 860 CE2 PHE A 55 4.634 -8.989 0.694 1.00 0.00 C ATOM 861 CZ PHE A 55 5.601 -8.028 0.467 1.00 0.00 C ATOM 0 H PHE A 55 2.804 -9.650 4.997 1.00 0.00 H new ATOM 0 HA PHE A 55 3.788 -6.875 5.067 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.689 -7.971 3.154 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.199 -6.299 3.274 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.579 -5.709 2.682 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.891 -9.516 1.804 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.333 -6.095 1.010 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.650 -9.915 0.138 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.372 -8.200 -0.269 1.00 0.00 H new ATOM 871 N GLU A 56 1.561 -6.048 6.035 1.00 0.00 N ATOM 872 CA GLU A 56 0.458 -5.655 6.900 1.00 0.00 C ATOM 873 C GLU A 56 -0.041 -4.265 6.524 1.00 0.00 C ATOM 874 O GLU A 56 0.706 -3.287 6.591 1.00 0.00 O ATOM 875 CB GLU A 56 0.894 -5.679 8.366 1.00 0.00 C ATOM 876 CG GLU A 56 -0.262 -5.561 9.346 1.00 0.00 C ATOM 877 CD GLU A 56 0.111 -6.015 10.744 1.00 0.00 C ATOM 878 OE1 GLU A 56 0.892 -6.982 10.865 1.00 0.00 O ATOM 879 OE2 GLU A 56 -0.378 -5.403 11.717 1.00 0.00 O ATOM 0 H GLU A 56 2.114 -5.268 5.679 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.356 -6.368 6.766 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.432 -6.607 8.561 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.594 -4.862 8.542 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.599 -4.525 9.382 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.101 -6.157 8.986 1.00 0.00 H new ATOM 886 N ILE A 57 -1.303 -4.185 6.117 1.00 0.00 N ATOM 887 CA ILE A 57 -1.897 -2.914 5.722 1.00 0.00 C ATOM 888 C ILE A 57 -2.210 -2.046 6.938 1.00 0.00 C ATOM 889 O ILE A 57 -3.226 -2.232 7.606 1.00 0.00 O ATOM 890 CB ILE A 57 -3.181 -3.121 4.888 1.00 0.00 C ATOM 891 CG1 ILE A 57 -3.691 -1.778 4.360 1.00 0.00 C ATOM 892 CG2 ILE A 57 -4.259 -3.821 5.708 1.00 0.00 C ATOM 893 CD1 ILE A 57 -4.489 -1.895 3.080 1.00 0.00 C ATOM 0 H ILE A 57 -1.933 -4.984 6.052 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.160 -2.401 5.103 1.00 0.00 H new ATOM 0 HB ILE A 57 -2.939 -3.761 4.039 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.311 -1.309 5.124 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.841 -1.117 4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.152 -3.954 5.097 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.894 -4.795 6.034 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.503 -3.215 6.580 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.818 -0.905 2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.866 -2.335 2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.359 -2.529 3.250 1.00 0.00 H new ATOM 905 N LEU A 58 -1.324 -1.095 7.219 1.00 0.00 N ATOM 906 CA LEU A 58 -1.496 -0.193 8.353 1.00 0.00 C ATOM 907 C LEU A 58 -2.895 0.419 8.366 1.00 0.00 C ATOM 908 O LEU A 58 -3.635 0.327 7.385 1.00 0.00 O ATOM 909 CB LEU A 58 -0.439 0.916 8.307 1.00 0.00 C ATOM 910 CG LEU A 58 0.554 0.919 9.472 1.00 0.00 C ATOM 911 CD1 LEU A 58 1.090 -0.482 9.730 1.00 0.00 C ATOM 912 CD2 LEU A 58 1.697 1.883 9.188 1.00 0.00 C ATOM 0 H LEU A 58 -0.477 -0.929 6.675 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.372 -0.773 9.268 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.119 0.825 7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.948 1.880 8.282 1.00 0.00 H new ATOM 0 HG LEU A 58 0.031 1.252 10.368 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.794 -0.455 10.562 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.263 -1.148 9.976 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.598 -0.847 8.837 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.396 1.875 10.024 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.215 1.576 8.280 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.300 2.889 9.056 1.00 0.00 H new ATOM 924 N ALA A 59 -3.252 1.039 9.486 1.00 0.00 N ATOM 925 CA ALA A 59 -4.564 1.662 9.633 1.00 0.00 C ATOM 926 C ALA A 59 -4.714 2.877 8.719 1.00 0.00 C ATOM 927 O ALA A 59 -5.829 3.264 8.371 1.00 0.00 O ATOM 928 CB ALA A 59 -4.795 2.061 11.082 1.00 0.00 C ATOM 0 H ALA A 59 -2.651 1.124 10.306 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.316 0.930 9.338 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.777 2.525 11.180 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.747 1.175 11.715 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.027 2.770 11.391 1.00 0.00 H new ATOM 934 N ASN A 60 -3.591 3.477 8.337 1.00 0.00 N ATOM 935 CA ASN A 60 -3.611 4.648 7.468 1.00 0.00 C ATOM 936 C ASN A 60 -3.392 4.256 6.009 1.00 0.00 C ATOM 937 O ASN A 60 -2.795 5.006 5.237 1.00 0.00 O ATOM 938 CB ASN A 60 -2.545 5.656 7.905 1.00 0.00 C ATOM 939 CG ASN A 60 -1.137 5.108 7.773 1.00 0.00 C ATOM 940 OD1 ASN A 60 -0.701 4.348 8.772 1.00 0.00 O flip ATOM 941 ND2 ASN A 60 -0.447 5.367 6.788 1.00 0.00 N flip ATOM 0 H ASN A 60 -2.658 3.172 8.615 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.594 5.110 7.554 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.637 6.560 7.304 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.724 5.943 8.941 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.821 5.955 6.043 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.499 4.994 6.716 1.00 0.00 H new ATOM 948 N GLY A 61 -3.882 3.076 5.636 1.00 0.00 N ATOM 949 CA GLY A 61 -3.730 2.607 4.271 1.00 0.00 C ATOM 950 C GLY A 61 -2.280 2.532 3.836 1.00 0.00 C ATOM 951 O GLY A 61 -1.961 2.775 2.672 1.00 0.00 O ATOM 0 H GLY A 61 -4.381 2.437 6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.185 1.621 4.177 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.272 3.273 3.600 1.00 0.00 H new ATOM 955 N ASP A 62 -1.400 2.194 4.772 1.00 0.00 N ATOM 956 CA ASP A 62 0.025 2.087 4.477 1.00 0.00 C ATOM 957 C ASP A 62 0.451 0.626 4.358 1.00 0.00 C ATOM 958 O ASP A 62 -0.285 -0.280 4.747 1.00 0.00 O ATOM 959 CB ASP A 62 0.853 2.787 5.561 1.00 0.00 C ATOM 960 CG ASP A 62 1.840 3.781 4.981 1.00 0.00 C ATOM 961 OD1 ASP A 62 1.394 4.821 4.453 1.00 0.00 O ATOM 962 OD2 ASP A 62 3.058 3.518 5.053 1.00 0.00 O ATOM 0 H ASP A 62 -1.647 1.990 5.740 1.00 0.00 H new ATOM 0 HA ASP A 62 0.206 2.578 3.521 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.184 3.303 6.249 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.393 2.039 6.142 1.00 0.00 H new ATOM 967 N LEU A 63 1.647 0.408 3.821 1.00 0.00 N ATOM 968 CA LEU A 63 2.179 -0.950 3.652 1.00 0.00 C ATOM 969 C LEU A 63 3.293 -1.216 4.657 1.00 0.00 C ATOM 970 O LEU A 63 4.304 -0.514 4.672 1.00 0.00 O ATOM 971 CB LEU A 63 2.721 -1.133 2.235 1.00 0.00 C ATOM 972 CG LEU A 63 2.963 -2.581 1.809 1.00 0.00 C ATOM 973 CD1 LEU A 63 1.665 -3.240 1.370 1.00 0.00 C ATOM 974 CD2 LEU A 63 3.990 -2.631 0.691 1.00 0.00 C ATOM 0 H LEU A 63 2.269 1.148 3.495 1.00 0.00 H new ATOM 0 HA LEU A 63 1.368 -1.657 3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.021 -0.678 1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.659 -0.585 2.149 1.00 0.00 H new ATOM 0 HG LEU A 63 3.349 -3.133 2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.862 -4.270 1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.955 -3.232 2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.246 -2.692 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.155 -3.667 0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.625 -2.063 -0.164 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.928 -2.199 1.039 1.00 0.00 H new ATOM 986 N LYS A 64 3.112 -2.232 5.495 1.00 0.00 N ATOM 987 CA LYS A 64 4.115 -2.575 6.493 1.00 0.00 C ATOM 988 C LYS A 64 4.841 -3.862 6.114 1.00 0.00 C ATOM 989 O LYS A 64 4.260 -4.948 6.149 1.00 0.00 O ATOM 990 CB LYS A 64 3.464 -2.729 7.870 1.00 0.00 C ATOM 991 CG LYS A 64 4.305 -2.167 9.004 1.00 0.00 C ATOM 992 CD LYS A 64 5.133 -3.251 9.674 1.00 0.00 C ATOM 993 CE LYS A 64 4.454 -3.775 10.929 1.00 0.00 C ATOM 994 NZ LYS A 64 3.116 -4.359 10.635 1.00 0.00 N ATOM 0 H LYS A 64 2.284 -2.828 5.502 1.00 0.00 H new ATOM 0 HA LYS A 64 4.844 -1.766 6.532 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.496 -2.228 7.863 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.275 -3.786 8.058 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.965 -1.390 8.618 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.655 -1.696 9.742 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.293 -4.072 8.975 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.116 -2.854 9.929 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.086 -4.532 11.394 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.346 -2.964 11.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.723 -4.780 11.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.478 -3.612 10.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.211 -5.094 9.905 1.00 0.00 H new ATOM 1008 N ILE A 65 6.116 -3.732 5.756 1.00 0.00 N ATOM 1009 CA ILE A 65 6.925 -4.886 5.376 1.00 0.00 C ATOM 1010 C ILE A 65 7.612 -5.482 6.605 1.00 0.00 C ATOM 1011 O ILE A 65 8.110 -4.749 7.460 1.00 0.00 O ATOM 1012 CB ILE A 65 7.988 -4.510 4.325 1.00 0.00 C ATOM 1013 CG1 ILE A 65 7.424 -3.475 3.337 1.00 0.00 C ATOM 1014 CG2 ILE A 65 8.471 -5.759 3.596 1.00 0.00 C ATOM 1015 CD1 ILE A 65 8.330 -3.196 2.153 1.00 0.00 C ATOM 0 H ILE A 65 6.610 -2.840 5.721 1.00 0.00 H new ATOM 0 HA ILE A 65 6.255 -5.625 4.938 1.00 0.00 H new ATOM 0 HB ILE A 65 8.842 -4.060 4.831 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.460 -3.827 2.969 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.241 -2.542 3.869 1.00 0.00 H new ATOM 0 HG21 ILE A 65 9.222 -5.481 2.856 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.909 -6.453 4.314 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.629 -6.237 3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.862 -2.456 1.503 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.286 -2.813 2.509 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.493 -4.118 1.595 1.00 0.00 H new ATOM 1027 N LYS A 66 7.622 -6.809 6.700 1.00 0.00 N ATOM 1028 CA LYS A 66 8.232 -7.490 7.841 1.00 0.00 C ATOM 1029 C LYS A 66 9.732 -7.682 7.656 1.00 0.00 C ATOM 1030 O LYS A 66 10.522 -7.409 8.560 1.00 0.00 O ATOM 1031 CB LYS A 66 7.559 -8.844 8.072 1.00 0.00 C ATOM 1032 CG LYS A 66 8.106 -9.600 9.271 1.00 0.00 C ATOM 1033 CD LYS A 66 7.475 -10.978 9.397 1.00 0.00 C ATOM 1034 CE LYS A 66 7.243 -11.354 10.851 1.00 0.00 C ATOM 1035 NZ LYS A 66 6.801 -12.768 10.995 1.00 0.00 N ATOM 0 H LYS A 66 7.216 -7.434 6.003 1.00 0.00 H new ATOM 0 HA LYS A 66 8.084 -6.855 8.715 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.489 -8.689 8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.681 -9.458 7.180 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.187 -9.701 9.176 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.918 -9.028 10.180 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.527 -10.995 8.860 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.121 -11.719 8.927 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.162 -11.202 11.416 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.491 -10.693 11.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.654 -12.985 12.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.910 -12.908 10.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.530 -13.401 10.608 1.00 0.00 H new ATOM 1049 N ASN A 67 10.111 -8.158 6.486 1.00 0.00 N ATOM 1050 CA ASN A 67 11.512 -8.400 6.168 1.00 0.00 C ATOM 1051 C ASN A 67 11.791 -8.063 4.711 1.00 0.00 C ATOM 1052 O ASN A 67 11.320 -8.746 3.802 1.00 0.00 O ATOM 1053 CB ASN A 67 11.878 -9.860 6.452 1.00 0.00 C ATOM 1054 CG ASN A 67 12.996 -9.988 7.467 1.00 0.00 C ATOM 1055 OD1 ASN A 67 12.994 -9.316 8.499 1.00 0.00 O ATOM 1056 ND2 ASN A 67 13.959 -10.856 7.180 1.00 0.00 N ATOM 0 H ASN A 67 9.465 -8.388 5.731 1.00 0.00 H new ATOM 0 HA ASN A 67 12.126 -7.757 6.798 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.997 -10.388 6.817 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.178 -10.344 5.522 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.737 -10.987 7.826 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.921 -11.392 6.313 1.00 0.00 H new ATOM 1063 N LEU A 68 12.551 -6.997 4.495 1.00 0.00 N ATOM 1064 CA LEU A 68 12.886 -6.556 3.153 1.00 0.00 C ATOM 1065 C LEU A 68 13.534 -7.667 2.341 1.00 0.00 C ATOM 1066 O LEU A 68 14.197 -8.550 2.885 1.00 0.00 O ATOM 1067 CB LEU A 68 13.807 -5.345 3.221 1.00 0.00 C ATOM 1068 CG LEU A 68 13.093 -4.036 3.533 1.00 0.00 C ATOM 1069 CD1 LEU A 68 13.996 -3.108 4.328 1.00 0.00 C ATOM 1070 CD2 LEU A 68 12.622 -3.370 2.253 1.00 0.00 C ATOM 0 H LEU A 68 12.947 -6.421 5.238 1.00 0.00 H new ATOM 0 HA LEU A 68 11.960 -6.279 2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 68 14.567 -5.522 3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.328 -5.244 2.269 1.00 0.00 H new ATOM 0 HG LEU A 68 12.218 -4.257 4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 68 13.467 -2.179 4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 68 14.276 -3.588 5.265 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.894 -2.890 3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.114 -2.436 2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.480 -3.162 1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.933 -4.033 1.730 1.00 0.00 H new ATOM 1082 N THR A 69 13.331 -7.606 1.033 1.00 0.00 N ATOM 1083 CA THR A 69 13.885 -8.599 0.121 1.00 0.00 C ATOM 1084 C THR A 69 14.117 -7.999 -1.262 1.00 0.00 C ATOM 1085 O THR A 69 13.517 -6.986 -1.621 1.00 0.00 O ATOM 1086 CB THR A 69 12.950 -9.805 0.021 1.00 0.00 C ATOM 1087 OG1 THR A 69 11.598 -9.389 -0.052 1.00 0.00 O ATOM 1088 CG2 THR A 69 13.079 -10.755 1.191 1.00 0.00 C ATOM 0 H THR A 69 12.784 -6.876 0.577 1.00 0.00 H new ATOM 0 HA THR A 69 14.846 -8.926 0.518 1.00 0.00 H new ATOM 0 HB THR A 69 13.247 -10.329 -0.887 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.017 -10.175 -0.117 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.390 -11.589 1.060 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.100 -11.133 1.242 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.840 -10.229 2.115 1.00 0.00 H new ATOM 1096 N ARG A 70 14.997 -8.631 -2.034 1.00 0.00 N ATOM 1097 CA ARG A 70 15.319 -8.157 -3.383 1.00 0.00 C ATOM 1098 C ARG A 70 14.052 -7.914 -4.200 1.00 0.00 C ATOM 1099 O ARG A 70 13.832 -6.815 -4.707 1.00 0.00 O ATOM 1100 CB ARG A 70 16.226 -9.157 -4.111 1.00 0.00 C ATOM 1101 CG ARG A 70 16.033 -10.603 -3.678 1.00 0.00 C ATOM 1102 CD ARG A 70 16.141 -11.558 -4.856 1.00 0.00 C ATOM 1103 NE ARG A 70 16.782 -12.817 -4.483 1.00 0.00 N ATOM 1104 CZ ARG A 70 18.055 -12.917 -4.106 1.00 0.00 C ATOM 1105 NH1 ARG A 70 18.825 -11.837 -4.051 1.00 0.00 N ATOM 1106 NH2 ARG A 70 18.559 -14.101 -3.783 1.00 0.00 N ATOM 0 H ARG A 70 15.501 -9.472 -1.752 1.00 0.00 H new ATOM 0 HA ARG A 70 15.850 -7.211 -3.280 1.00 0.00 H new ATOM 0 HB2 ARG A 70 16.043 -9.083 -5.183 1.00 0.00 H new ATOM 0 HB3 ARG A 70 17.266 -8.875 -3.945 1.00 0.00 H new ATOM 0 HG2 ARG A 70 16.781 -10.862 -2.929 1.00 0.00 H new ATOM 0 HG3 ARG A 70 15.057 -10.715 -3.206 1.00 0.00 H new ATOM 0 HD2 ARG A 70 15.145 -11.761 -5.251 1.00 0.00 H new ATOM 0 HD3 ARG A 70 16.710 -11.084 -5.656 1.00 0.00 H new ATOM 0 HE ARG A 70 16.222 -13.669 -4.513 1.00 0.00 H new ATOM 0 HH11 ARG A 70 18.442 -10.925 -4.298 1.00 0.00 H new ATOM 0 HH12 ARG A 70 19.800 -11.920 -3.761 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.971 -14.934 -3.824 1.00 0.00 H new ATOM 0 HH22 ARG A 70 19.534 -14.179 -3.494 1.00 0.00 H new ATOM 1120 N ASP A 71 13.222 -8.946 -4.322 1.00 0.00 N ATOM 1121 CA ASP A 71 11.977 -8.840 -5.076 1.00 0.00 C ATOM 1122 C ASP A 71 11.118 -7.684 -4.562 1.00 0.00 C ATOM 1123 O ASP A 71 10.264 -7.169 -5.282 1.00 0.00 O ATOM 1124 CB ASP A 71 11.192 -10.151 -4.991 1.00 0.00 C ATOM 1125 CG ASP A 71 9.909 -10.111 -5.798 1.00 0.00 C ATOM 1126 OD1 ASP A 71 9.821 -9.286 -6.732 1.00 0.00 O ATOM 1127 OD2 ASP A 71 8.994 -10.907 -5.499 1.00 0.00 O ATOM 0 H ASP A 71 13.389 -9.864 -3.909 1.00 0.00 H new ATOM 0 HA ASP A 71 12.231 -8.641 -6.117 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.817 -10.969 -5.348 1.00 0.00 H new ATOM 0 HB3 ASP A 71 10.955 -10.363 -3.948 1.00 0.00 H new ATOM 1132 N ASP A 72 11.351 -7.280 -3.314 1.00 0.00 N ATOM 1133 CA ASP A 72 10.593 -6.187 -2.716 1.00 0.00 C ATOM 1134 C ASP A 72 11.127 -4.827 -3.169 1.00 0.00 C ATOM 1135 O ASP A 72 10.465 -3.805 -2.990 1.00 0.00 O ATOM 1136 CB ASP A 72 10.636 -6.283 -1.189 1.00 0.00 C ATOM 1137 CG ASP A 72 9.285 -6.009 -0.556 1.00 0.00 C ATOM 1138 OD1 ASP A 72 8.437 -6.926 -0.547 1.00 0.00 O ATOM 1139 OD2 ASP A 72 9.077 -4.878 -0.070 1.00 0.00 O ATOM 0 H ASP A 72 12.055 -7.692 -2.702 1.00 0.00 H new ATOM 0 HA ASP A 72 9.560 -6.276 -3.052 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.975 -7.277 -0.899 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.366 -5.572 -0.803 1.00 0.00 H new ATOM 1144 N SER A 73 12.321 -4.819 -3.756 1.00 0.00 N ATOM 1145 CA SER A 73 12.925 -3.579 -4.232 1.00 0.00 C ATOM 1146 C SER A 73 12.328 -3.173 -5.574 1.00 0.00 C ATOM 1147 O SER A 73 12.294 -3.969 -6.512 1.00 0.00 O ATOM 1148 CB SER A 73 14.442 -3.738 -4.365 1.00 0.00 C ATOM 1149 OG SER A 73 15.097 -2.486 -4.265 1.00 0.00 O ATOM 0 H SER A 73 12.887 -5.653 -3.913 1.00 0.00 H new ATOM 0 HA SER A 73 12.714 -2.797 -3.502 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.810 -4.408 -3.588 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.680 -4.201 -5.323 1.00 0.00 H new ATOM 0 HG SER A 73 14.437 -1.786 -4.077 1.00 0.00 H new ATOM 1155 N GLY A 74 11.852 -1.935 -5.663 1.00 0.00 N ATOM 1156 CA GLY A 74 11.266 -1.462 -6.890 1.00 0.00 C ATOM 1157 C GLY A 74 10.253 -0.361 -6.654 1.00 0.00 C ATOM 1158 O GLY A 74 10.165 0.195 -5.561 1.00 0.00 O ATOM 0 H GLY A 74 11.865 -1.255 -4.903 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.053 -1.094 -7.548 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.783 -2.293 -7.404 1.00 0.00 H new ATOM 1162 N THR A 75 9.496 -0.050 -7.690 1.00 0.00 N ATOM 1163 CA THR A 75 8.479 0.996 -7.629 1.00 0.00 C ATOM 1164 C THR A 75 7.117 0.430 -7.227 1.00 0.00 C ATOM 1165 O THR A 75 6.604 -0.490 -7.865 1.00 0.00 O ATOM 1166 CB THR A 75 8.375 1.660 -8.998 1.00 0.00 C ATOM 1167 OG1 THR A 75 9.595 1.538 -9.708 1.00 0.00 O ATOM 1168 CG2 THR A 75 8.035 3.126 -8.930 1.00 0.00 C ATOM 0 H THR A 75 9.565 -0.511 -8.597 1.00 0.00 H new ATOM 0 HA THR A 75 8.773 1.724 -6.873 1.00 0.00 H new ATOM 0 HB THR A 75 7.564 1.139 -9.507 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.508 1.968 -10.584 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.977 3.533 -9.939 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.074 3.254 -8.432 1.00 0.00 H new ATOM 0 HG23 THR A 75 8.807 3.653 -8.370 1.00 0.00 H new ATOM 1176 N TYR A 76 6.532 0.997 -6.175 1.00 0.00 N ATOM 1177 CA TYR A 76 5.222 0.563 -5.698 1.00 0.00 C ATOM 1178 C TYR A 76 4.148 1.557 -6.125 1.00 0.00 C ATOM 1179 O TYR A 76 4.303 2.764 -5.941 1.00 0.00 O ATOM 1180 CB TYR A 76 5.221 0.420 -4.176 1.00 0.00 C ATOM 1181 CG TYR A 76 5.927 -0.821 -3.681 1.00 0.00 C ATOM 1182 CD1 TYR A 76 7.291 -0.989 -3.875 1.00 0.00 C ATOM 1183 CD2 TYR A 76 5.230 -1.827 -3.022 1.00 0.00 C ATOM 1184 CE1 TYR A 76 7.940 -2.122 -3.425 1.00 0.00 C ATOM 1185 CE2 TYR A 76 5.874 -2.965 -2.569 1.00 0.00 C ATOM 1186 CZ TYR A 76 7.228 -3.107 -2.774 1.00 0.00 C ATOM 1187 OH TYR A 76 7.870 -4.239 -2.321 1.00 0.00 O ATOM 0 H TYR A 76 6.945 1.758 -5.636 1.00 0.00 H new ATOM 0 HA TYR A 76 5.004 -0.409 -6.140 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.697 1.297 -3.737 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.190 0.406 -3.822 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.854 -0.222 -4.386 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.168 -1.719 -2.861 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.002 -2.236 -3.583 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.318 -3.737 -2.058 1.00 0.00 H new ATOM 0 HH TYR A 76 8.839 -4.094 -2.337 1.00 0.00 H new ATOM 1197 N ASN A 77 3.066 1.050 -6.704 1.00 0.00 N ATOM 1198 CA ASN A 77 1.979 1.904 -7.165 1.00 0.00 C ATOM 1199 C ASN A 77 0.705 1.677 -6.355 1.00 0.00 C ATOM 1200 O ASN A 77 0.221 0.548 -6.240 1.00 0.00 O ATOM 1201 CB ASN A 77 1.701 1.639 -8.645 1.00 0.00 C ATOM 1202 CG ASN A 77 2.706 2.317 -9.555 1.00 0.00 C ATOM 1203 OD1 ASN A 77 2.456 3.404 -10.076 1.00 0.00 O ATOM 1204 ND2 ASN A 77 3.852 1.675 -9.752 1.00 0.00 N ATOM 0 H ASN A 77 2.918 0.054 -6.865 1.00 0.00 H new ATOM 0 HA ASN A 77 2.288 2.940 -7.027 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.717 0.565 -8.828 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.699 1.989 -8.891 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.567 2.081 -10.355 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.017 0.776 -9.300 1.00 0.00 H new ATOM 1211 N VAL A 78 0.157 2.762 -5.807 1.00 0.00 N ATOM 1212 CA VAL A 78 -1.071 2.679 -5.025 1.00 0.00 C ATOM 1213 C VAL A 78 -2.247 3.282 -5.787 1.00 0.00 C ATOM 1214 O VAL A 78 -2.193 4.438 -6.215 1.00 0.00 O ATOM 1215 CB VAL A 78 -0.977 3.399 -3.658 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -1.793 2.645 -2.618 1.00 0.00 C ATOM 1217 CG2 VAL A 78 0.468 3.578 -3.197 1.00 0.00 C ATOM 0 H VAL A 78 0.543 3.702 -5.891 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.224 1.614 -4.848 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.391 4.400 -3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.722 3.157 -1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.836 2.606 -2.932 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.406 1.631 -2.517 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.482 4.088 -2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.942 2.601 -3.098 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.013 4.173 -3.930 1.00 0.00 H new ATOM 1227 N THR A 79 -3.317 2.502 -5.930 1.00 0.00 N ATOM 1228 CA THR A 79 -4.519 2.964 -6.612 1.00 0.00 C ATOM 1229 C THR A 79 -5.662 3.079 -5.612 1.00 0.00 C ATOM 1230 O THR A 79 -6.306 2.088 -5.269 1.00 0.00 O ATOM 1231 CB THR A 79 -4.900 2.014 -7.751 1.00 0.00 C ATOM 1232 OG1 THR A 79 -3.897 1.031 -7.945 1.00 0.00 O ATOM 1233 CG2 THR A 79 -5.108 2.725 -9.070 1.00 0.00 C ATOM 0 H THR A 79 -3.374 1.545 -5.581 1.00 0.00 H new ATOM 0 HA THR A 79 -4.321 3.944 -7.045 1.00 0.00 H new ATOM 0 HB THR A 79 -5.842 1.557 -7.446 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.296 0.232 -8.350 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.376 1.998 -9.837 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.910 3.456 -8.967 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.188 3.234 -9.358 1.00 0.00 H new ATOM 1241 N VAL A 80 -5.890 4.295 -5.132 1.00 0.00 N ATOM 1242 CA VAL A 80 -6.937 4.548 -4.149 1.00 0.00 C ATOM 1243 C VAL A 80 -8.262 4.895 -4.822 1.00 0.00 C ATOM 1244 O VAL A 80 -8.341 5.831 -5.618 1.00 0.00 O ATOM 1245 CB VAL A 80 -6.525 5.691 -3.191 1.00 0.00 C ATOM 1246 CG1 VAL A 80 -7.668 6.074 -2.263 1.00 0.00 C ATOM 1247 CG2 VAL A 80 -5.294 5.301 -2.381 1.00 0.00 C ATOM 0 H VAL A 80 -5.363 5.124 -5.408 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.071 3.631 -3.575 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.279 6.560 -3.802 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.346 6.879 -1.603 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.520 6.408 -2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.957 5.209 -1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.023 6.120 -1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.513 4.411 -1.792 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.465 5.093 -3.057 1.00 0.00 H new ATOM 1257 N TYR A 81 -9.303 4.135 -4.489 1.00 0.00 N ATOM 1258 CA TYR A 81 -10.626 4.366 -5.051 1.00 0.00 C ATOM 1259 C TYR A 81 -11.600 4.840 -3.985 1.00 0.00 C ATOM 1260 O TYR A 81 -11.469 4.504 -2.804 1.00 0.00 O ATOM 1261 CB TYR A 81 -11.171 3.102 -5.696 1.00 0.00 C ATOM 1262 CG TYR A 81 -10.302 2.555 -6.808 1.00 0.00 C ATOM 1263 CD1 TYR A 81 -9.291 1.640 -6.542 1.00 0.00 C ATOM 1264 CD2 TYR A 81 -10.496 2.953 -8.125 1.00 0.00 C ATOM 1265 CE1 TYR A 81 -8.499 1.138 -7.557 1.00 0.00 C ATOM 1266 CE2 TYR A 81 -9.708 2.455 -9.145 1.00 0.00 C ATOM 1267 CZ TYR A 81 -8.711 1.548 -8.856 1.00 0.00 C ATOM 1268 OH TYR A 81 -7.924 1.050 -9.868 1.00 0.00 O ATOM 0 H TYR A 81 -9.253 3.355 -3.833 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.522 5.142 -5.810 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.287 2.336 -4.929 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.165 3.308 -6.093 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -9.121 1.316 -5.526 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.276 3.664 -8.355 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.717 0.427 -7.334 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -9.872 2.775 -10.163 1.00 0.00 H new ATOM 0 HH TYR A 81 -8.205 1.439 -10.722 1.00 0.00 H new ATOM 1278 N SER A 82 -12.579 5.615 -4.428 1.00 0.00 N ATOM 1279 CA SER A 82 -13.603 6.166 -3.546 1.00 0.00 C ATOM 1280 C SER A 82 -14.810 5.241 -3.443 1.00 0.00 C ATOM 1281 O SER A 82 -14.904 4.233 -4.144 1.00 0.00 O ATOM 1282 CB SER A 82 -14.049 7.542 -4.042 1.00 0.00 C ATOM 1283 OG SER A 82 -13.475 7.847 -5.301 1.00 0.00 O ATOM 0 H SER A 82 -12.688 5.881 -5.407 1.00 0.00 H new ATOM 0 HA SER A 82 -13.163 6.263 -2.554 1.00 0.00 H new ATOM 0 HB2 SER A 82 -15.136 7.568 -4.120 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.763 8.303 -3.316 1.00 0.00 H new ATOM 0 HG SER A 82 -14.000 8.549 -5.738 1.00 0.00 H new ATOM 1289 N THR A 83 -15.735 5.603 -2.561 1.00 0.00 N ATOM 1290 CA THR A 83 -16.951 4.822 -2.351 1.00 0.00 C ATOM 1291 C THR A 83 -17.788 4.741 -3.626 1.00 0.00 C ATOM 1292 O THR A 83 -18.651 3.874 -3.755 1.00 0.00 O ATOM 1293 CB THR A 83 -17.785 5.430 -1.222 1.00 0.00 C ATOM 1294 OG1 THR A 83 -18.025 6.807 -1.461 1.00 0.00 O ATOM 1295 CG2 THR A 83 -17.135 5.306 0.139 1.00 0.00 C ATOM 0 H THR A 83 -15.666 6.436 -1.977 1.00 0.00 H new ATOM 0 HA THR A 83 -16.651 3.811 -2.074 1.00 0.00 H new ATOM 0 HB THR A 83 -18.715 4.862 -1.214 1.00 0.00 H new ATOM 0 HG1 THR A 83 -18.477 6.915 -2.324 1.00 0.00 H new ATOM 0 HG21 THR A 83 -17.780 5.758 0.893 1.00 0.00 H new ATOM 0 HG22 THR A 83 -16.983 4.253 0.375 1.00 0.00 H new ATOM 0 HG23 THR A 83 -16.173 5.818 0.131 1.00 0.00 H new ATOM 1303 N ASN A 84 -17.530 5.648 -4.565 1.00 0.00 N ATOM 1304 CA ASN A 84 -18.267 5.670 -5.825 1.00 0.00 C ATOM 1305 C ASN A 84 -17.546 4.866 -6.904 1.00 0.00 C ATOM 1306 O ASN A 84 -17.752 5.090 -8.096 1.00 0.00 O ATOM 1307 CB ASN A 84 -18.465 7.112 -6.296 1.00 0.00 C ATOM 1308 CG ASN A 84 -19.384 7.897 -5.380 1.00 0.00 C ATOM 1309 OD1 ASN A 84 -19.125 8.027 -4.184 1.00 0.00 O ATOM 1310 ND2 ASN A 84 -20.465 8.428 -5.941 1.00 0.00 N ATOM 0 H ASN A 84 -16.819 6.374 -4.478 1.00 0.00 H new ATOM 0 HA ASN A 84 -19.240 5.210 -5.651 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -17.497 7.610 -6.349 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -18.878 7.109 -7.305 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -21.120 8.969 -5.376 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -20.640 8.295 -6.937 1.00 0.00 H new ATOM 1317 N GLY A 85 -16.701 3.928 -6.482 1.00 0.00 N ATOM 1318 CA GLY A 85 -15.970 3.110 -7.432 1.00 0.00 C ATOM 1319 C GLY A 85 -15.089 3.932 -8.355 1.00 0.00 C ATOM 1320 O GLY A 85 -14.690 3.461 -9.420 1.00 0.00 O ATOM 0 H GLY A 85 -16.511 3.721 -5.501 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.353 2.394 -6.890 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.677 2.534 -8.029 1.00 0.00 H new ATOM 1324 N THR A 86 -14.785 5.160 -7.946 1.00 0.00 N ATOM 1325 CA THR A 86 -13.944 6.043 -8.746 1.00 0.00 C ATOM 1326 C THR A 86 -12.517 6.056 -8.210 1.00 0.00 C ATOM 1327 O THR A 86 -12.203 5.364 -7.241 1.00 0.00 O ATOM 1328 CB THR A 86 -14.516 7.464 -8.753 1.00 0.00 C ATOM 1329 OG1 THR A 86 -15.781 7.502 -8.114 1.00 0.00 O ATOM 1330 CG2 THR A 86 -14.691 8.031 -10.146 1.00 0.00 C ATOM 0 H THR A 86 -15.108 5.565 -7.067 1.00 0.00 H new ATOM 0 HA THR A 86 -13.928 5.665 -9.768 1.00 0.00 H new ATOM 0 HB THR A 86 -13.785 8.070 -8.218 1.00 0.00 H new ATOM 0 HG1 THR A 86 -16.127 8.419 -8.128 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.100 9.039 -10.080 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.725 8.063 -10.650 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.375 7.399 -10.713 1.00 0.00 H new ATOM 1338 N ARG A 87 -11.656 6.847 -8.841 1.00 0.00 N ATOM 1339 CA ARG A 87 -10.263 6.947 -8.420 1.00 0.00 C ATOM 1340 C ARG A 87 -10.034 8.215 -7.605 1.00 0.00 C ATOM 1341 O ARG A 87 -10.362 9.317 -8.046 1.00 0.00 O ATOM 1342 CB ARG A 87 -9.332 6.927 -9.635 1.00 0.00 C ATOM 1343 CG ARG A 87 -7.964 6.334 -9.341 1.00 0.00 C ATOM 1344 CD ARG A 87 -7.140 7.249 -8.449 1.00 0.00 C ATOM 1345 NE ARG A 87 -7.174 8.636 -8.906 1.00 0.00 N ATOM 1346 CZ ARG A 87 -6.550 9.072 -9.998 1.00 0.00 C ATOM 1347 NH1 ARG A 87 -5.845 8.235 -10.748 1.00 0.00 N ATOM 1348 NH2 ARG A 87 -6.634 10.349 -10.343 1.00 0.00 N ATOM 0 H ARG A 87 -11.897 7.427 -9.644 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.037 6.086 -7.791 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.803 6.355 -10.434 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.206 7.945 -10.003 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.083 5.364 -8.858 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.432 6.161 -10.277 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.517 7.195 -7.428 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.108 6.900 -8.427 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.707 9.310 -8.356 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.779 7.251 -10.489 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.369 8.576 -11.583 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.177 10.997 -9.772 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.156 10.684 -11.180 1.00 0.00 H new ATOM 1362 N ILE A 88 -9.474 8.051 -6.411 1.00 0.00 N ATOM 1363 CA ILE A 88 -9.207 9.181 -5.530 1.00 0.00 C ATOM 1364 C ILE A 88 -7.749 9.624 -5.618 1.00 0.00 C ATOM 1365 O ILE A 88 -7.464 10.796 -5.867 1.00 0.00 O ATOM 1366 CB ILE A 88 -9.550 8.840 -4.063 1.00 0.00 C ATOM 1367 CG1 ILE A 88 -11.053 8.605 -3.913 1.00 0.00 C ATOM 1368 CG2 ILE A 88 -9.088 9.949 -3.122 1.00 0.00 C ATOM 1369 CD1 ILE A 88 -11.885 9.842 -4.173 1.00 0.00 C ATOM 0 H ILE A 88 -9.196 7.146 -6.032 1.00 0.00 H new ATOM 0 HA ILE A 88 -9.845 10.000 -5.864 1.00 0.00 H new ATOM 0 HB ILE A 88 -9.022 7.926 -3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.360 7.818 -4.602 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -11.258 8.244 -2.905 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -9.341 9.684 -2.095 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.009 10.074 -3.209 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -9.583 10.882 -3.389 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -12.941 9.603 -4.049 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -11.605 10.624 -3.467 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.709 10.192 -5.190 1.00 0.00 H new ATOM 1381 N LEU A 89 -6.829 8.690 -5.403 1.00 0.00 N ATOM 1382 CA LEU A 89 -5.408 9.010 -5.449 1.00 0.00 C ATOM 1383 C LEU A 89 -4.582 7.861 -6.020 1.00 0.00 C ATOM 1384 O LEU A 89 -4.641 6.732 -5.533 1.00 0.00 O ATOM 1385 CB LEU A 89 -4.905 9.365 -4.046 1.00 0.00 C ATOM 1386 CG LEU A 89 -3.388 9.529 -3.918 1.00 0.00 C ATOM 1387 CD1 LEU A 89 -3.052 10.638 -2.931 1.00 0.00 C ATOM 1388 CD2 LEU A 89 -2.744 8.217 -3.488 1.00 0.00 C ATOM 0 H LEU A 89 -7.039 7.713 -5.197 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.286 9.867 -6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.382 10.293 -3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.230 8.588 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.988 9.805 -4.894 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.970 10.740 -2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.481 11.578 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.465 10.392 -1.953 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.666 8.352 -3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.150 7.912 -2.523 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.955 7.447 -4.230 1.00 0.00 H new ATOM 1400 N ASN A 90 -3.794 8.174 -7.042 1.00 0.00 N ATOM 1401 CA ASN A 90 -2.920 7.196 -7.679 1.00 0.00 C ATOM 1402 C ASN A 90 -1.472 7.640 -7.515 1.00 0.00 C ATOM 1403 O ASN A 90 -1.040 8.610 -8.136 1.00 0.00 O ATOM 1404 CB ASN A 90 -3.265 7.051 -9.163 1.00 0.00 C ATOM 1405 CG ASN A 90 -2.401 6.017 -9.858 1.00 0.00 C ATOM 1406 OD1 ASN A 90 -2.304 4.832 -9.267 1.00 0.00 O flip ATOM 1407 ND2 ASN A 90 -1.829 6.280 -10.916 1.00 0.00 N flip ATOM 0 H ASN A 90 -3.743 9.107 -7.451 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.061 6.225 -7.203 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -4.314 6.772 -9.264 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -3.143 8.015 -9.658 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -1.931 7.204 -11.335 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.253 5.574 -11.373 1.00 0.00 H new ATOM 1414 N LYS A 91 -0.731 6.950 -6.654 1.00 0.00 N ATOM 1415 CA LYS A 91 0.659 7.318 -6.396 1.00 0.00 C ATOM 1416 C LYS A 91 1.635 6.196 -6.733 1.00 0.00 C ATOM 1417 O LYS A 91 1.254 5.032 -6.856 1.00 0.00 O ATOM 1418 CB LYS A 91 0.832 7.719 -4.930 1.00 0.00 C ATOM 1419 CG LYS A 91 0.022 8.940 -4.531 1.00 0.00 C ATOM 1420 CD LYS A 91 0.747 10.230 -4.880 1.00 0.00 C ATOM 1421 CE LYS A 91 0.267 10.796 -6.206 1.00 0.00 C ATOM 1422 NZ LYS A 91 0.491 12.266 -6.297 1.00 0.00 N ATOM 0 H LYS A 91 -1.063 6.142 -6.128 1.00 0.00 H new ATOM 0 HA LYS A 91 0.889 8.161 -7.047 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.544 6.880 -4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.887 7.915 -4.738 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -0.944 8.917 -5.035 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.176 8.912 -3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 91 0.587 10.964 -4.090 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.820 10.044 -4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.789 10.298 -7.023 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.795 10.582 -6.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.150 12.613 -7.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.027 12.744 -5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.507 12.469 -6.206 1.00 0.00 H new ATOM 1436 N ALA A 92 2.904 6.573 -6.864 1.00 0.00 N ATOM 1437 CA ALA A 92 3.972 5.631 -7.168 1.00 0.00 C ATOM 1438 C ALA A 92 5.233 6.001 -6.394 1.00 0.00 C ATOM 1439 O ALA A 92 5.755 7.107 -6.535 1.00 0.00 O ATOM 1440 CB ALA A 92 4.253 5.612 -8.661 1.00 0.00 C ATOM 0 H ALA A 92 3.218 7.538 -6.762 1.00 0.00 H new ATOM 0 HA ALA A 92 3.655 4.633 -6.865 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.054 4.903 -8.872 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.352 5.312 -9.197 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.555 6.607 -8.987 1.00 0.00 H new ATOM 1446 N LEU A 93 5.710 5.082 -5.563 1.00 0.00 N ATOM 1447 CA LEU A 93 6.901 5.330 -4.755 1.00 0.00 C ATOM 1448 C LEU A 93 8.047 4.405 -5.149 1.00 0.00 C ATOM 1449 O LEU A 93 7.827 3.324 -5.693 1.00 0.00 O ATOM 1450 CB LEU A 93 6.582 5.145 -3.269 1.00 0.00 C ATOM 1451 CG LEU A 93 5.178 5.579 -2.846 1.00 0.00 C ATOM 1452 CD1 LEU A 93 4.149 4.540 -3.260 1.00 0.00 C ATOM 1453 CD2 LEU A 93 5.127 5.811 -1.344 1.00 0.00 C ATOM 0 H LEU A 93 5.293 4.161 -5.430 1.00 0.00 H new ATOM 0 HA LEU A 93 7.213 6.358 -4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.712 4.093 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.310 5.707 -2.685 1.00 0.00 H new ATOM 0 HG LEU A 93 4.940 6.516 -3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.157 4.867 -2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.169 4.419 -4.343 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.382 3.587 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.122 6.119 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.385 4.888 -0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.837 6.592 -1.072 1.00 0.00 H new ATOM 1465 N ASP A 94 9.271 4.836 -4.855 1.00 0.00 N ATOM 1466 CA ASP A 94 10.455 4.045 -5.164 1.00 0.00 C ATOM 1467 C ASP A 94 11.016 3.415 -3.892 1.00 0.00 C ATOM 1468 O ASP A 94 11.358 4.118 -2.941 1.00 0.00 O ATOM 1469 CB ASP A 94 11.521 4.915 -5.834 1.00 0.00 C ATOM 1470 CG ASP A 94 11.178 5.245 -7.273 1.00 0.00 C ATOM 1471 OD1 ASP A 94 10.226 6.023 -7.493 1.00 0.00 O ATOM 1472 OD2 ASP A 94 11.862 4.725 -8.181 1.00 0.00 O ATOM 0 H ASP A 94 9.467 5.729 -4.403 1.00 0.00 H new ATOM 0 HA ASP A 94 10.169 3.251 -5.854 1.00 0.00 H new ATOM 0 HB2 ASP A 94 11.638 5.840 -5.270 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.480 4.399 -5.801 1.00 0.00 H new ATOM 1477 N LEU A 95 11.103 2.088 -3.877 1.00 0.00 N ATOM 1478 CA LEU A 95 11.617 1.372 -2.709 1.00 0.00 C ATOM 1479 C LEU A 95 12.995 0.777 -2.986 1.00 0.00 C ATOM 1480 O LEU A 95 13.104 -0.299 -3.581 1.00 0.00 O ATOM 1481 CB LEU A 95 10.657 0.253 -2.279 1.00 0.00 C ATOM 1482 CG LEU A 95 11.147 -0.640 -1.132 1.00 0.00 C ATOM 1483 CD1 LEU A 95 11.770 0.181 -0.017 1.00 0.00 C ATOM 1484 CD2 LEU A 95 10.003 -1.484 -0.593 1.00 0.00 C ATOM 0 H LEU A 95 10.827 1.488 -4.654 1.00 0.00 H new ATOM 0 HA LEU A 95 11.702 2.099 -1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.710 0.705 -1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 95 10.453 -0.378 -3.144 1.00 0.00 H new ATOM 0 HG LEU A 95 11.917 -1.301 -1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 95 12.106 -0.483 0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 95 12.621 0.739 -0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 95 11.031 0.877 0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 95 10.366 -2.112 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 95 9.213 -0.831 -0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 95 9.609 -2.114 -1.390 1.00 0.00 H new ATOM 1496 N ARG A 96 14.041 1.473 -2.542 1.00 0.00 N ATOM 1497 CA ARG A 96 15.408 0.999 -2.730 1.00 0.00 C ATOM 1498 C ARG A 96 15.893 0.271 -1.480 1.00 0.00 C ATOM 1499 O ARG A 96 16.093 0.880 -0.423 1.00 0.00 O ATOM 1500 CB ARG A 96 16.356 2.155 -3.077 1.00 0.00 C ATOM 1501 CG ARG A 96 15.650 3.436 -3.503 1.00 0.00 C ATOM 1502 CD ARG A 96 14.854 3.230 -4.783 1.00 0.00 C ATOM 1503 NE ARG A 96 15.614 2.493 -5.792 1.00 0.00 N ATOM 1504 CZ ARG A 96 15.058 1.843 -6.812 1.00 0.00 C ATOM 1505 NH1 ARG A 96 13.738 1.836 -6.965 1.00 0.00 N ATOM 1506 NH2 ARG A 96 15.823 1.199 -7.681 1.00 0.00 N ATOM 0 H ARG A 96 13.967 2.364 -2.051 1.00 0.00 H new ATOM 0 HA ARG A 96 15.410 0.302 -3.568 1.00 0.00 H new ATOM 0 HB2 ARG A 96 16.982 2.369 -2.211 1.00 0.00 H new ATOM 0 HB3 ARG A 96 17.021 1.836 -3.879 1.00 0.00 H new ATOM 0 HG2 ARG A 96 14.983 3.768 -2.707 1.00 0.00 H new ATOM 0 HG3 ARG A 96 16.386 4.226 -3.653 1.00 0.00 H new ATOM 0 HD2 ARG A 96 13.936 2.689 -4.555 1.00 0.00 H new ATOM 0 HD3 ARG A 96 14.561 4.199 -5.187 1.00 0.00 H new ATOM 0 HE ARG A 96 16.630 2.476 -5.709 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.145 2.331 -6.299 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.318 1.336 -7.749 1.00 0.00 H new ATOM 0 HH21 ARG A 96 16.837 1.202 -7.568 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.398 0.701 -8.463 1.00 0.00 H new ATOM 1520 N ILE A 97 16.059 -1.041 -1.603 1.00 0.00 N ATOM 1521 CA ILE A 97 16.496 -1.867 -0.486 1.00 0.00 C ATOM 1522 C ILE A 97 17.954 -2.285 -0.625 1.00 0.00 C ATOM 1523 O ILE A 97 18.308 -3.057 -1.515 1.00 0.00 O ATOM 1524 CB ILE A 97 15.634 -3.138 -0.358 1.00 0.00 C ATOM 1525 CG1 ILE A 97 14.160 -2.823 -0.630 1.00 0.00 C ATOM 1526 CG2 ILE A 97 15.806 -3.752 1.021 1.00 0.00 C ATOM 1527 CD1 ILE A 97 13.350 -4.037 -1.027 1.00 0.00 C ATOM 0 H ILE A 97 15.897 -1.556 -2.468 1.00 0.00 H new ATOM 0 HA ILE A 97 16.383 -1.254 0.408 1.00 0.00 H new ATOM 0 HB ILE A 97 15.968 -3.860 -1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.720 -2.378 0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 97 14.096 -2.077 -1.422 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.192 -4.649 1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.853 -4.014 1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.497 -3.034 1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.316 -3.742 -1.205 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.765 -4.470 -1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 97 13.384 -4.775 -0.226 1.00 0.00 H new ATOM 1539 N LEU A 98 18.792 -1.779 0.272 1.00 0.00 N ATOM 1540 CA LEU A 98 20.198 -2.098 0.274 1.00 0.00 C ATOM 1541 C LEU A 98 20.416 -3.554 0.672 1.00 0.00 C ATOM 1542 O LEU A 98 20.018 -3.982 1.758 1.00 0.00 O ATOM 1543 CB LEU A 98 20.910 -1.168 1.248 1.00 0.00 C ATOM 1544 CG LEU A 98 21.531 0.074 0.615 1.00 0.00 C ATOM 1545 CD1 LEU A 98 22.237 0.915 1.668 1.00 0.00 C ATOM 1546 CD2 LEU A 98 22.497 -0.319 -0.493 1.00 0.00 C ATOM 0 H LEU A 98 18.508 -1.138 1.013 1.00 0.00 H new ATOM 0 HA LEU A 98 20.605 -1.961 -0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 98 20.199 -0.852 2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 98 21.694 -1.729 1.756 1.00 0.00 H new ATOM 0 HG LEU A 98 20.732 0.673 0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 98 22.673 1.796 1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 98 21.519 1.227 2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 98 23.025 0.325 2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 98 22.930 0.579 -0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 98 23.291 -0.940 -0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 98 21.962 -0.878 -1.261 1.00 0.00 H new