USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 675 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 70 HIS :FLIP no HD1:sc= -0.924 F(o=-1.8!,f=-0.93) USER MOD Set 1.2: A 90 SER OG : rot 161:sc=-0.00371 USER MOD Set 2.1: A 13 MET CE :methyl -158:sc= -13.9! (180deg=-15.6!) USER MOD Set 2.2: A 74 HIS :FLIP no HD1:sc= -2.9! F(o=-18,f=-17!) USER MOD Set 3.1: A 51 ASN :FLIP amide:sc= -3.28 F(o=-12!,f=-5) USER MOD Set 3.2: A 89 LYS NZ :NH3+ 143:sc= -1.74 (180deg=-0.67) USER MOD Single : A 9 LYS NZ :NH3+ -168:sc= -0.0253 (180deg=-0.181) USER MOD Single : A 10 ASN : amide:sc= -0.225 X(o=-0.22,f=-0.22) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -3.75! C(o=-3.7!,f=-6.3!) USER MOD Single : A 19 GLN : amide:sc= -0.065 K(o=-0.065,f=-2.8!) USER MOD Single : A 24 CYS SG : rot -153:sc= -6.04! USER MOD Single : A 26 THR OG1 : rot 88:sc= 1.14 USER MOD Single : A 27 GLN : amide:sc= -0.0334 X(o=-0.033,f=-0.033) USER MOD Single : A 29 MET CE :methyl -115:sc= -4.47! (180deg=-8.61!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.464 F(o=-3.5,f=-0.46) USER MOD Single : A 36 LYS NZ :NH3+ 167:sc= -0.0273 (180deg=-0.246) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -143:sc= -3.26! (180deg=-5.61!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 134:sc= -1.34 (180deg=-3.29!) USER MOD Single : A 49 LYS NZ :NH3+ -168:sc= -0.0439 (180deg=-0.235) USER MOD Single : A 50 TYR OH : rot 157:sc= 1 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.404 USER MOD Single : A 55 HIS : no HD1:sc= -0.829 K(o=-0.83,f=-2.4) USER MOD Single : A 56 CYS SG : rot -54:sc= -4.45! USER MOD Single : A 61 SER OG : rot -63:sc= 0.548 USER MOD Single : A 63 ASN :FLIP amide:sc= -0.344 F(o=-2.1,f=-0.34) USER MOD Single : A 66 SER OG : rot -42:sc= 1.14 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 163:sc= 0.61 USER MOD Single : A 73 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.06) USER MOD Single : A 77 TYR OH : rot 120:sc= -0.932 USER MOD Single : A 79 TYR OH : rot 180:sc=-0.00603 USER MOD Single : A 82 GLN :FLIP amide:sc= -3.01! C(o=-4!,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 89 N ALA A 6 5.121 6.867 8.716 1.00 0.00 N ATOM 90 CA ALA A 6 4.820 5.472 8.414 1.00 0.00 C ATOM 91 C ALA A 6 4.474 4.701 9.683 1.00 0.00 C ATOM 92 O ALA A 6 5.358 4.208 10.383 1.00 0.00 O ATOM 93 CB ALA A 6 5.995 4.821 7.699 1.00 0.00 C ATOM 0 HA ALA A 6 3.952 5.446 7.756 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.756 3.780 7.480 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.194 5.352 6.768 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.878 4.864 8.337 1.00 0.00 H new ATOM 99 N VAL A 7 3.181 4.601 9.972 1.00 0.00 N ATOM 100 CA VAL A 7 2.715 3.890 11.156 1.00 0.00 C ATOM 101 C VAL A 7 1.966 2.619 10.771 1.00 0.00 C ATOM 102 O VAL A 7 0.762 2.648 10.519 1.00 0.00 O ATOM 103 CB VAL A 7 1.796 4.780 12.016 1.00 0.00 C ATOM 104 CG1 VAL A 7 1.369 4.052 13.283 1.00 0.00 C ATOM 105 CG2 VAL A 7 2.487 6.092 12.354 1.00 0.00 C ATOM 0 H VAL A 7 2.437 5.004 9.402 1.00 0.00 H new ATOM 0 HA VAL A 7 3.597 3.624 11.738 1.00 0.00 H new ATOM 0 HB VAL A 7 0.900 5.005 11.438 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.721 4.700 13.874 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.828 3.144 13.016 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.251 3.791 13.867 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.823 6.707 12.961 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.402 5.889 12.910 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.732 6.622 11.434 1.00 0.00 H new ATOM 115 N ILE A 8 2.688 1.504 10.731 1.00 0.00 N ATOM 116 CA ILE A 8 2.091 0.221 10.379 1.00 0.00 C ATOM 117 C ILE A 8 1.246 -0.322 11.526 1.00 0.00 C ATOM 118 O ILE A 8 1.690 -0.354 12.675 1.00 0.00 O ATOM 119 CB ILE A 8 3.173 -0.817 10.010 1.00 0.00 C ATOM 120 CG1 ILE A 8 4.040 -0.294 8.861 1.00 0.00 C ATOM 121 CG2 ILE A 8 2.532 -2.146 9.632 1.00 0.00 C ATOM 122 CD1 ILE A 8 5.131 -1.257 8.444 1.00 0.00 C ATOM 0 H ILE A 8 3.686 1.463 10.938 1.00 0.00 H new ATOM 0 HA ILE A 8 1.453 0.392 9.512 1.00 0.00 H new ATOM 0 HB ILE A 8 3.809 -0.979 10.880 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.403 -0.084 8.002 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.494 0.651 9.159 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.310 -2.865 9.375 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.953 -2.523 10.475 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.874 -2.002 8.775 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.706 -0.823 7.626 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.791 -1.448 9.290 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.683 -2.194 8.115 1.00 0.00 H new ATOM 134 N LYS A 9 0.028 -0.749 11.209 1.00 0.00 N ATOM 135 CA LYS A 9 -0.877 -1.292 12.214 1.00 0.00 C ATOM 136 C LYS A 9 -0.551 -2.752 12.501 1.00 0.00 C ATOM 137 O LYS A 9 -0.006 -3.081 13.554 1.00 0.00 O ATOM 138 CB LYS A 9 -2.328 -1.161 11.752 1.00 0.00 C ATOM 139 CG LYS A 9 -2.770 0.274 11.527 1.00 0.00 C ATOM 140 CD LYS A 9 -2.642 1.101 12.795 1.00 0.00 C ATOM 141 CE LYS A 9 -3.510 0.548 13.913 1.00 0.00 C ATOM 142 NZ LYS A 9 -4.952 0.539 13.545 1.00 0.00 N ATOM 0 H LYS A 9 -0.355 -0.729 10.264 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.746 -0.720 13.133 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.457 -1.721 10.826 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.980 -1.620 12.495 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.167 0.722 10.737 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.805 0.288 11.185 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.600 1.117 13.116 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.928 2.132 12.588 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.190 -0.466 14.153 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.369 1.148 14.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.525 0.351 14.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.215 1.463 13.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.125 -0.204 12.838 1.00 0.00 H new ATOM 156 N ASN A 10 -0.887 -3.627 11.556 1.00 0.00 N ATOM 157 CA ASN A 10 -0.624 -5.052 11.717 1.00 0.00 C ATOM 158 C ASN A 10 -0.725 -5.785 10.383 1.00 0.00 C ATOM 159 O ASN A 10 -1.455 -5.368 9.484 1.00 0.00 O ATOM 160 CB ASN A 10 -1.603 -5.662 12.721 1.00 0.00 C ATOM 161 CG ASN A 10 -1.342 -7.137 12.964 1.00 0.00 C ATOM 162 OD1 ASN A 10 -0.259 -7.522 13.404 1.00 0.00 O ATOM 163 ND2 ASN A 10 -2.336 -7.969 12.679 1.00 0.00 N ATOM 0 H ASN A 10 -1.339 -3.375 10.677 1.00 0.00 H new ATOM 0 HA ASN A 10 0.393 -5.164 12.093 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.532 -5.123 13.666 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -2.622 -5.532 12.355 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -2.219 -8.972 12.823 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.217 -7.605 12.316 1.00 0.00 H new ATOM 170 N ALA A 11 0.014 -6.881 10.268 1.00 0.00 N ATOM 171 CA ALA A 11 0.016 -7.686 9.054 1.00 0.00 C ATOM 172 C ALA A 11 0.102 -9.171 9.400 1.00 0.00 C ATOM 173 O ALA A 11 1.136 -9.648 9.865 1.00 0.00 O ATOM 174 CB ALA A 11 1.175 -7.283 8.156 1.00 0.00 C ATOM 0 H ALA A 11 0.623 -7.234 11.006 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.917 -7.509 8.518 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.164 -7.893 7.253 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.077 -6.232 7.886 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.116 -7.435 8.685 1.00 0.00 H new ATOM 180 N ASP A 12 -0.992 -9.894 9.183 1.00 0.00 N ATOM 181 CA ASP A 12 -1.036 -11.320 9.487 1.00 0.00 C ATOM 182 C ASP A 12 -0.764 -12.160 8.241 1.00 0.00 C ATOM 183 O ASP A 12 -1.618 -12.929 7.801 1.00 0.00 O ATOM 184 CB ASP A 12 -2.397 -11.692 10.084 1.00 0.00 C ATOM 185 CG ASP A 12 -2.492 -13.162 10.444 1.00 0.00 C ATOM 186 OD1 ASP A 12 -1.687 -13.622 11.282 1.00 0.00 O ATOM 187 OD2 ASP A 12 -3.371 -13.854 9.890 1.00 0.00 O ATOM 0 H ASP A 12 -1.858 -9.517 8.799 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.254 -11.532 10.216 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.575 -11.091 10.976 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.183 -11.445 9.370 1.00 0.00 H new ATOM 192 N MET A 13 0.429 -12.007 7.679 1.00 0.00 N ATOM 193 CA MET A 13 0.807 -12.753 6.484 1.00 0.00 C ATOM 194 C MET A 13 2.162 -13.436 6.663 1.00 0.00 C ATOM 195 O MET A 13 2.739 -13.419 7.752 1.00 0.00 O ATOM 196 CB MET A 13 0.840 -11.822 5.273 1.00 0.00 C ATOM 197 CG MET A 13 -0.465 -11.077 5.060 1.00 0.00 C ATOM 198 SD MET A 13 -0.478 -10.106 3.544 1.00 0.00 S ATOM 199 CE MET A 13 -2.168 -9.521 3.545 1.00 0.00 C ATOM 0 H MET A 13 1.149 -11.376 8.030 1.00 0.00 H new ATOM 0 HA MET A 13 0.059 -13.529 6.318 1.00 0.00 H new ATOM 0 HB2 MET A 13 1.647 -11.100 5.399 1.00 0.00 H new ATOM 0 HB3 MET A 13 1.069 -12.404 4.380 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.286 -11.793 5.034 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.644 -10.418 5.909 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.459 -9.249 2.531 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.826 -10.309 3.913 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.250 -8.648 4.193 1.00 0.00 H new ATOM 209 N SER A 14 2.662 -14.038 5.587 1.00 0.00 N ATOM 210 CA SER A 14 3.948 -14.733 5.620 1.00 0.00 C ATOM 211 C SER A 14 5.118 -13.752 5.728 1.00 0.00 C ATOM 212 O SER A 14 6.260 -14.168 5.905 1.00 0.00 O ATOM 213 CB SER A 14 4.112 -15.599 4.370 1.00 0.00 C ATOM 214 OG SER A 14 3.087 -16.575 4.287 1.00 0.00 O ATOM 0 H SER A 14 2.196 -14.059 4.680 1.00 0.00 H new ATOM 0 HA SER A 14 3.957 -15.367 6.507 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.090 -14.968 3.481 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.085 -16.090 4.389 1.00 0.00 H new ATOM 0 HG SER A 14 3.213 -17.114 3.479 1.00 0.00 H new ATOM 220 N GLU A 15 4.814 -12.454 5.614 1.00 0.00 N ATOM 221 CA GLU A 15 5.812 -11.379 5.689 1.00 0.00 C ATOM 222 C GLU A 15 6.237 -10.946 4.298 1.00 0.00 C ATOM 223 O GLU A 15 6.464 -9.762 4.044 1.00 0.00 O ATOM 224 CB GLU A 15 7.043 -11.779 6.514 1.00 0.00 C ATOM 225 CG GLU A 15 6.712 -12.222 7.931 1.00 0.00 C ATOM 226 CD GLU A 15 7.946 -12.595 8.728 1.00 0.00 C ATOM 227 OE1 GLU A 15 8.668 -13.523 8.305 1.00 0.00 O ATOM 228 OE2 GLU A 15 8.193 -11.960 9.775 1.00 0.00 O ATOM 0 H GLU A 15 3.863 -12.117 5.466 1.00 0.00 H new ATOM 0 HA GLU A 15 5.335 -10.542 6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.565 -12.588 6.003 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.730 -10.934 6.558 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.181 -11.420 8.444 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.037 -13.077 7.892 1.00 0.00 H new ATOM 235 N ASP A 16 6.321 -11.902 3.391 1.00 0.00 N ATOM 236 CA ASP A 16 6.696 -11.599 2.022 1.00 0.00 C ATOM 237 C ASP A 16 5.604 -10.781 1.350 1.00 0.00 C ATOM 238 O ASP A 16 5.821 -10.182 0.297 1.00 0.00 O ATOM 239 CB ASP A 16 6.957 -12.886 1.236 1.00 0.00 C ATOM 240 CG ASP A 16 7.380 -12.615 -0.195 1.00 0.00 C ATOM 241 OD1 ASP A 16 8.420 -11.954 -0.392 1.00 0.00 O ATOM 242 OD2 ASP A 16 6.669 -13.066 -1.118 1.00 0.00 O ATOM 0 H ASP A 16 6.136 -12.888 3.575 1.00 0.00 H new ATOM 0 HA ASP A 16 7.616 -11.015 2.036 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.733 -13.464 1.738 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.055 -13.497 1.235 1.00 0.00 H new ATOM 247 N MET A 17 4.426 -10.750 1.970 1.00 0.00 N ATOM 248 CA MET A 17 3.313 -9.992 1.430 1.00 0.00 C ATOM 249 C MET A 17 3.309 -8.588 1.975 1.00 0.00 C ATOM 250 O MET A 17 3.207 -7.635 1.214 1.00 0.00 O ATOM 251 CB MET A 17 1.982 -10.694 1.703 1.00 0.00 C ATOM 252 CG MET A 17 1.795 -11.986 0.923 1.00 0.00 C ATOM 253 SD MET A 17 2.980 -13.266 1.384 1.00 0.00 S ATOM 254 CE MET A 17 2.483 -14.599 0.295 1.00 0.00 C ATOM 0 H MET A 17 4.224 -11.240 2.841 1.00 0.00 H new ATOM 0 HA MET A 17 3.438 -9.934 0.349 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.909 -10.911 2.769 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.167 -10.013 1.459 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.784 -12.359 1.086 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.890 -11.778 -0.143 1.00 0.00 H new ATOM 0 HE1 MET A 17 3.125 -15.464 0.462 1.00 0.00 H new ATOM 0 HE2 MET A 17 1.448 -14.870 0.501 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.574 -14.275 -0.742 1.00 0.00 H new ATOM 264 N GLN A 18 3.463 -8.440 3.279 1.00 0.00 N ATOM 265 CA GLN A 18 3.523 -7.108 3.845 1.00 0.00 C ATOM 266 C GLN A 18 4.762 -6.400 3.298 1.00 0.00 C ATOM 267 O GLN A 18 4.851 -5.172 3.323 1.00 0.00 O ATOM 268 CB GLN A 18 3.528 -7.150 5.373 1.00 0.00 C ATOM 269 CG GLN A 18 4.486 -8.167 5.961 1.00 0.00 C ATOM 270 CD GLN A 18 3.815 -9.045 6.998 1.00 0.00 C ATOM 271 OE1 GLN A 18 2.824 -9.716 6.711 1.00 0.00 O ATOM 272 NE2 GLN A 18 4.354 -9.053 8.206 1.00 0.00 N ATOM 0 H GLN A 18 3.547 -9.204 3.949 1.00 0.00 H new ATOM 0 HA GLN A 18 2.632 -6.550 3.556 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.787 -6.161 5.752 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.520 -7.372 5.723 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.887 -8.791 5.163 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.330 -7.649 6.416 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.176 -8.481 8.402 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.948 -9.631 8.942 1.00 0.00 H new ATOM 281 N GLN A 19 5.704 -7.189 2.757 1.00 0.00 N ATOM 282 CA GLN A 19 6.913 -6.634 2.163 1.00 0.00 C ATOM 283 C GLN A 19 6.644 -6.241 0.716 1.00 0.00 C ATOM 284 O GLN A 19 6.975 -5.133 0.291 1.00 0.00 O ATOM 285 CB GLN A 19 8.069 -7.634 2.239 1.00 0.00 C ATOM 286 CG GLN A 19 8.615 -7.826 3.644 1.00 0.00 C ATOM 287 CD GLN A 19 9.704 -8.878 3.707 1.00 0.00 C ATOM 288 OE1 GLN A 19 9.482 -10.040 3.365 1.00 0.00 O ATOM 289 NE2 GLN A 19 10.891 -8.476 4.149 1.00 0.00 N ATOM 0 H GLN A 19 5.645 -8.207 2.723 1.00 0.00 H new ATOM 0 HA GLN A 19 7.200 -5.746 2.726 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.732 -8.597 1.854 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.875 -7.295 1.588 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.009 -6.878 4.009 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.801 -8.111 4.311 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.031 -7.503 4.422 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.662 -9.140 4.215 1.00 0.00 H new ATOM 298 N ASP A 20 6.006 -7.141 -0.026 1.00 0.00 N ATOM 299 CA ASP A 20 5.656 -6.865 -1.413 1.00 0.00 C ATOM 300 C ASP A 20 4.496 -5.881 -1.454 1.00 0.00 C ATOM 301 O ASP A 20 4.265 -5.206 -2.457 1.00 0.00 O ATOM 302 CB ASP A 20 5.281 -8.157 -2.142 1.00 0.00 C ATOM 303 CG ASP A 20 6.421 -9.159 -2.172 1.00 0.00 C ATOM 304 OD1 ASP A 20 7.501 -8.848 -1.625 1.00 0.00 O ATOM 305 OD2 ASP A 20 6.234 -10.253 -2.743 1.00 0.00 O ATOM 0 H ASP A 20 5.723 -8.062 0.308 1.00 0.00 H new ATOM 0 HA ASP A 20 6.519 -6.430 -1.917 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.417 -8.608 -1.654 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.982 -7.921 -3.163 1.00 0.00 H new ATOM 310 N ALA A 21 3.786 -5.796 -0.334 1.00 0.00 N ATOM 311 CA ALA A 21 2.661 -4.887 -0.199 1.00 0.00 C ATOM 312 C ALA A 21 3.172 -3.466 -0.048 1.00 0.00 C ATOM 313 O ALA A 21 2.763 -2.564 -0.778 1.00 0.00 O ATOM 314 CB ALA A 21 1.797 -5.277 0.991 1.00 0.00 C ATOM 0 H ALA A 21 3.975 -6.353 0.499 1.00 0.00 H new ATOM 0 HA ALA A 21 2.044 -4.949 -1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.960 -4.584 1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.418 -6.289 0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.394 -5.238 1.902 1.00 0.00 H new ATOM 320 N VAL A 22 4.094 -3.284 0.888 1.00 0.00 N ATOM 321 CA VAL A 22 4.690 -1.979 1.116 1.00 0.00 C ATOM 322 C VAL A 22 5.466 -1.545 -0.121 1.00 0.00 C ATOM 323 O VAL A 22 5.592 -0.353 -0.404 1.00 0.00 O ATOM 324 CB VAL A 22 5.632 -1.985 2.335 1.00 0.00 C ATOM 325 CG1 VAL A 22 6.229 -0.601 2.567 1.00 0.00 C ATOM 326 CG2 VAL A 22 4.898 -2.470 3.576 1.00 0.00 C ATOM 0 H VAL A 22 4.443 -4.023 1.499 1.00 0.00 H new ATOM 0 HA VAL A 22 3.881 -1.277 1.318 1.00 0.00 H new ATOM 0 HB VAL A 22 6.450 -2.675 2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.890 -0.631 3.433 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.796 -0.297 1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.428 0.115 2.747 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.580 -2.467 4.426 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.057 -1.808 3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.531 -3.482 3.409 1.00 0.00 H new ATOM 336 N ASP A 23 5.975 -2.526 -0.867 1.00 0.00 N ATOM 337 CA ASP A 23 6.727 -2.241 -2.085 1.00 0.00 C ATOM 338 C ASP A 23 5.785 -1.870 -3.203 1.00 0.00 C ATOM 339 O ASP A 23 5.919 -0.807 -3.799 1.00 0.00 O ATOM 340 CB ASP A 23 7.595 -3.437 -2.482 1.00 0.00 C ATOM 341 CG ASP A 23 8.441 -3.163 -3.711 1.00 0.00 C ATOM 342 OD1 ASP A 23 8.370 -2.036 -4.242 1.00 0.00 O ATOM 343 OD2 ASP A 23 9.178 -4.077 -4.139 1.00 0.00 O ATOM 0 H ASP A 23 5.880 -3.518 -0.650 1.00 0.00 H new ATOM 0 HA ASP A 23 7.389 -1.396 -1.893 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.246 -3.701 -1.649 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.955 -4.299 -2.671 1.00 0.00 H new ATOM 348 N CYS A 24 4.802 -2.713 -3.465 1.00 0.00 N ATOM 349 CA CYS A 24 3.830 -2.391 -4.496 1.00 0.00 C ATOM 350 C CYS A 24 3.093 -1.117 -4.097 1.00 0.00 C ATOM 351 O CYS A 24 2.454 -0.472 -4.925 1.00 0.00 O ATOM 352 CB CYS A 24 2.842 -3.539 -4.718 1.00 0.00 C ATOM 353 SG CYS A 24 1.707 -3.825 -3.340 1.00 0.00 S ATOM 0 H CYS A 24 4.656 -3.605 -2.992 1.00 0.00 H new ATOM 0 HA CYS A 24 4.355 -2.236 -5.439 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.259 -3.332 -5.616 1.00 0.00 H new ATOM 0 HB3 CYS A 24 3.403 -4.454 -4.906 1.00 0.00 H new ATOM 0 HG CYS A 24 1.334 -5.070 -3.336 1.00 0.00 H new ATOM 359 N ALA A 25 3.221 -0.744 -2.818 1.00 0.00 N ATOM 360 CA ALA A 25 2.605 0.465 -2.308 1.00 0.00 C ATOM 361 C ALA A 25 3.557 1.634 -2.493 1.00 0.00 C ATOM 362 O ALA A 25 3.150 2.732 -2.866 1.00 0.00 O ATOM 363 CB ALA A 25 2.232 0.299 -0.841 1.00 0.00 C ATOM 0 H ALA A 25 3.750 -1.271 -2.123 1.00 0.00 H new ATOM 0 HA ALA A 25 1.689 0.662 -2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.771 1.217 -0.477 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.528 -0.527 -0.736 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.129 0.088 -0.259 1.00 0.00 H new ATOM 369 N THR A 26 4.841 1.375 -2.256 1.00 0.00 N ATOM 370 CA THR A 26 5.864 2.394 -2.426 1.00 0.00 C ATOM 371 C THR A 26 5.973 2.757 -3.897 1.00 0.00 C ATOM 372 O THR A 26 6.037 3.932 -4.260 1.00 0.00 O ATOM 373 CB THR A 26 7.214 1.900 -1.899 1.00 0.00 C ATOM 374 OG1 THR A 26 7.130 1.588 -0.520 1.00 0.00 O ATOM 375 CG2 THR A 26 8.331 2.905 -2.076 1.00 0.00 C ATOM 0 H THR A 26 5.193 0.469 -1.947 1.00 0.00 H new ATOM 0 HA THR A 26 5.582 3.278 -1.854 1.00 0.00 H new ATOM 0 HB THR A 26 7.448 1.015 -2.491 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.842 0.658 -0.412 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.259 2.491 -1.681 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.455 3.128 -3.136 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.085 3.821 -1.539 1.00 0.00 H new ATOM 383 N GLN A 27 5.962 1.734 -4.744 1.00 0.00 N ATOM 384 CA GLN A 27 6.028 1.941 -6.183 1.00 0.00 C ATOM 385 C GLN A 27 4.704 2.497 -6.661 1.00 0.00 C ATOM 386 O GLN A 27 4.662 3.378 -7.518 1.00 0.00 O ATOM 387 CB GLN A 27 6.351 0.637 -6.915 1.00 0.00 C ATOM 388 CG GLN A 27 7.568 -0.090 -6.365 1.00 0.00 C ATOM 389 CD GLN A 27 8.788 0.802 -6.256 1.00 0.00 C ATOM 390 OE1 GLN A 27 9.262 1.355 -7.249 1.00 0.00 O ATOM 391 NE2 GLN A 27 9.305 0.944 -5.041 1.00 0.00 N ATOM 0 H GLN A 27 5.908 0.756 -4.459 1.00 0.00 H new ATOM 0 HA GLN A 27 6.828 2.648 -6.402 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.487 -0.025 -6.857 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.516 0.855 -7.970 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.330 -0.493 -5.381 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.800 -0.938 -7.009 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.879 0.467 -4.247 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.128 1.530 -4.902 1.00 0.00 H new ATOM 400 N ALA A 28 3.618 1.996 -6.085 1.00 0.00 N ATOM 401 CA ALA A 28 2.296 2.474 -6.446 1.00 0.00 C ATOM 402 C ALA A 28 2.181 3.961 -6.145 1.00 0.00 C ATOM 403 O ALA A 28 1.592 4.718 -6.913 1.00 0.00 O ATOM 404 CB ALA A 28 1.214 1.699 -5.711 1.00 0.00 C ATOM 0 H ALA A 28 3.629 1.266 -5.373 1.00 0.00 H new ATOM 0 HA ALA A 28 2.154 2.315 -7.515 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.234 2.078 -6.001 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.285 0.642 -5.969 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.346 1.820 -4.636 1.00 0.00 H new ATOM 410 N MET A 29 2.771 4.373 -5.024 1.00 0.00 N ATOM 411 CA MET A 29 2.755 5.772 -4.621 1.00 0.00 C ATOM 412 C MET A 29 3.792 6.569 -5.404 1.00 0.00 C ATOM 413 O MET A 29 3.690 7.789 -5.529 1.00 0.00 O ATOM 414 CB MET A 29 3.009 5.900 -3.118 1.00 0.00 C ATOM 415 CG MET A 29 1.870 5.360 -2.270 1.00 0.00 C ATOM 416 SD MET A 29 2.199 5.480 -0.502 1.00 0.00 S ATOM 417 CE MET A 29 0.690 4.783 0.167 1.00 0.00 C ATOM 0 H MET A 29 3.265 3.755 -4.381 1.00 0.00 H new ATOM 0 HA MET A 29 1.769 6.180 -4.842 1.00 0.00 H new ATOM 0 HB2 MET A 29 3.926 5.368 -2.865 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.171 6.949 -2.872 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.957 5.909 -2.503 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.691 4.317 -2.532 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.148 5.551 0.720 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.067 4.415 -0.648 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.936 3.959 0.837 1.00 0.00 H new ATOM 427 N GLU A 30 4.784 5.867 -5.946 1.00 0.00 N ATOM 428 CA GLU A 30 5.825 6.502 -6.733 1.00 0.00 C ATOM 429 C GLU A 30 5.351 6.675 -8.169 1.00 0.00 C ATOM 430 O GLU A 30 5.579 7.711 -8.794 1.00 0.00 O ATOM 431 CB GLU A 30 7.104 5.663 -6.693 1.00 0.00 C ATOM 432 CG GLU A 30 8.231 6.239 -7.528 1.00 0.00 C ATOM 433 CD GLU A 30 9.490 5.398 -7.470 1.00 0.00 C ATOM 434 OE1 GLU A 30 10.031 5.215 -6.358 1.00 0.00 O ATOM 435 OE2 GLU A 30 9.937 4.921 -8.535 1.00 0.00 O ATOM 0 H GLU A 30 4.884 4.856 -5.851 1.00 0.00 H new ATOM 0 HA GLU A 30 6.042 7.483 -6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.438 5.573 -5.659 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.880 4.656 -7.045 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.903 6.324 -8.564 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.456 7.247 -7.181 1.00 0.00 H new ATOM 442 N LYS A 31 4.680 5.648 -8.676 1.00 0.00 N ATOM 443 CA LYS A 31 4.148 5.670 -10.036 1.00 0.00 C ATOM 444 C LYS A 31 2.781 6.347 -10.065 1.00 0.00 C ATOM 445 O LYS A 31 2.437 7.040 -11.022 1.00 0.00 O ATOM 446 CB LYS A 31 4.037 4.244 -10.584 1.00 0.00 C ATOM 447 CG LYS A 31 5.360 3.501 -10.622 1.00 0.00 C ATOM 448 CD LYS A 31 6.373 4.209 -11.507 1.00 0.00 C ATOM 449 CE LYS A 31 7.697 3.462 -11.546 1.00 0.00 C ATOM 450 NZ LYS A 31 8.696 4.149 -12.410 1.00 0.00 N ATOM 0 H LYS A 31 4.490 4.786 -8.165 1.00 0.00 H new ATOM 0 HA LYS A 31 4.833 6.239 -10.664 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.332 3.682 -9.971 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.623 4.282 -11.591 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.758 3.413 -9.611 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.199 2.488 -10.991 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.975 4.299 -12.518 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.536 5.221 -11.137 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.093 3.372 -10.534 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.532 2.450 -11.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.585 3.609 -12.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.329 4.213 -13.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.873 5.106 -12.043 1.00 0.00 H new ATOM 464 N TYR A 32 2.012 6.147 -8.999 1.00 0.00 N ATOM 465 CA TYR A 32 0.682 6.740 -8.877 1.00 0.00 C ATOM 466 C TYR A 32 0.570 7.518 -7.579 1.00 0.00 C ATOM 467 O TYR A 32 0.972 7.043 -6.522 1.00 0.00 O ATOM 468 CB TYR A 32 -0.401 5.660 -8.946 1.00 0.00 C ATOM 469 CG TYR A 32 -0.548 5.040 -10.318 1.00 0.00 C ATOM 470 CD1 TYR A 32 -0.855 5.823 -11.423 1.00 0.00 C ATOM 471 CD2 TYR A 32 -0.383 3.673 -10.508 1.00 0.00 C ATOM 472 CE1 TYR A 32 -0.994 5.264 -12.679 1.00 0.00 C ATOM 473 CE2 TYR A 32 -0.520 3.106 -11.760 1.00 0.00 C ATOM 474 CZ TYR A 32 -0.826 3.906 -12.842 1.00 0.00 C ATOM 475 OH TYR A 32 -0.964 3.344 -14.091 1.00 0.00 O ATOM 0 H TYR A 32 2.289 5.575 -8.201 1.00 0.00 H new ATOM 0 HA TYR A 32 0.534 7.426 -9.711 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.168 4.876 -8.225 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.355 6.094 -8.648 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.987 6.888 -11.299 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.144 3.044 -9.663 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.233 5.888 -13.528 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.388 2.042 -11.891 1.00 0.00 H new ATOM 0 HH TYR A 32 -0.813 2.377 -14.033 1.00 0.00 H new ATOM 485 N ASN A 33 0.028 8.722 -7.665 1.00 0.00 N ATOM 486 CA ASN A 33 -0.131 9.567 -6.494 1.00 0.00 C ATOM 487 C ASN A 33 -1.603 9.702 -6.129 1.00 0.00 C ATOM 488 O ASN A 33 -1.981 10.572 -5.344 1.00 0.00 O ATOM 489 CB ASN A 33 0.487 10.945 -6.749 1.00 0.00 C ATOM 490 CG ASN A 33 1.980 10.892 -7.058 1.00 0.00 C ATOM 491 OD1 ASN A 33 2.612 9.735 -6.857 1.00 0.00 O flip ATOM 492 ND2 ASN A 33 2.569 11.898 -7.458 1.00 0.00 N flip ATOM 0 H ASN A 33 -0.309 9.136 -8.534 1.00 0.00 H new ATOM 0 HA ASN A 33 0.388 9.102 -5.656 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.032 11.419 -7.582 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.327 11.574 -5.874 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.055 12.767 -7.601 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.571 11.861 -7.646 1.00 0.00 H new ATOM 499 N ILE A 34 -2.434 8.836 -6.705 1.00 0.00 N ATOM 500 CA ILE A 34 -3.864 8.863 -6.437 1.00 0.00 C ATOM 501 C ILE A 34 -4.208 7.917 -5.290 1.00 0.00 C ATOM 502 O ILE A 34 -3.332 7.497 -4.536 1.00 0.00 O ATOM 503 CB ILE A 34 -4.682 8.451 -7.681 1.00 0.00 C ATOM 504 CG1 ILE A 34 -3.852 8.596 -8.960 1.00 0.00 C ATOM 505 CG2 ILE A 34 -5.964 9.271 -7.765 1.00 0.00 C ATOM 506 CD1 ILE A 34 -4.677 8.743 -10.223 1.00 0.00 C ATOM 0 H ILE A 34 -2.140 8.110 -7.358 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.122 9.887 -6.168 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.951 7.399 -7.582 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.202 9.465 -8.861 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.206 7.724 -9.061 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.531 8.971 -8.646 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.564 9.100 -6.871 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.715 10.330 -7.838 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.013 8.840 -11.082 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.308 7.863 -10.350 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.304 9.631 -10.147 1.00 0.00 H new ATOM 518 N GLU A 35 -5.486 7.574 -5.173 1.00 0.00 N ATOM 519 CA GLU A 35 -5.947 6.665 -4.137 1.00 0.00 C ATOM 520 C GLU A 35 -6.667 5.469 -4.758 1.00 0.00 C ATOM 521 O GLU A 35 -6.840 4.434 -4.113 1.00 0.00 O ATOM 522 CB GLU A 35 -6.873 7.390 -3.159 1.00 0.00 C ATOM 523 CG GLU A 35 -8.114 7.972 -3.816 1.00 0.00 C ATOM 524 CD GLU A 35 -9.016 8.686 -2.827 1.00 0.00 C ATOM 525 OE1 GLU A 35 -8.551 9.658 -2.195 1.00 0.00 O ATOM 526 OE2 GLU A 35 -10.186 8.274 -2.686 1.00 0.00 O ATOM 0 H GLU A 35 -6.224 7.916 -5.789 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.078 6.303 -3.588 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.178 6.695 -2.377 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.318 8.193 -2.673 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.814 8.670 -4.598 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.673 7.172 -4.301 1.00 0.00 H new ATOM 533 N LYS A 36 -7.078 5.616 -6.016 1.00 0.00 N ATOM 534 CA LYS A 36 -7.768 4.551 -6.726 1.00 0.00 C ATOM 535 C LYS A 36 -6.790 3.734 -7.564 1.00 0.00 C ATOM 536 O LYS A 36 -7.057 2.578 -7.889 1.00 0.00 O ATOM 537 CB LYS A 36 -8.868 5.130 -7.617 1.00 0.00 C ATOM 538 CG LYS A 36 -9.939 5.886 -6.848 1.00 0.00 C ATOM 539 CD LYS A 36 -11.012 6.432 -7.775 1.00 0.00 C ATOM 540 CE LYS A 36 -12.093 7.170 -7.004 1.00 0.00 C ATOM 541 NZ LYS A 36 -11.539 8.323 -6.240 1.00 0.00 N ATOM 0 H LYS A 36 -6.943 6.467 -6.562 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.223 3.891 -5.987 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.416 5.800 -8.348 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.337 4.319 -8.174 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.395 5.224 -6.112 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.481 6.707 -6.297 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.558 7.106 -8.501 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.460 5.612 -8.337 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.855 7.526 -7.697 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.584 6.481 -6.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.318 8.927 -5.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.002 7.971 -5.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.909 8.876 -6.855 1.00 0.00 H new ATOM 555 N ASP A 37 -5.644 4.331 -7.897 1.00 0.00 N ATOM 556 CA ASP A 37 -4.630 3.633 -8.674 1.00 0.00 C ATOM 557 C ASP A 37 -3.667 2.920 -7.748 1.00 0.00 C ATOM 558 O ASP A 37 -3.090 1.897 -8.106 1.00 0.00 O ATOM 559 CB ASP A 37 -3.885 4.595 -9.599 1.00 0.00 C ATOM 560 CG ASP A 37 -4.725 5.011 -10.789 1.00 0.00 C ATOM 561 OD1 ASP A 37 -5.124 4.124 -11.572 1.00 0.00 O ATOM 562 OD2 ASP A 37 -4.987 6.221 -10.939 1.00 0.00 O ATOM 0 H ASP A 37 -5.400 5.288 -7.641 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.126 2.892 -9.301 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.590 5.481 -9.037 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.969 4.121 -9.951 1.00 0.00 H new ATOM 567 N ILE A 38 -3.527 3.445 -6.537 1.00 0.00 N ATOM 568 CA ILE A 38 -2.666 2.826 -5.546 1.00 0.00 C ATOM 569 C ILE A 38 -3.341 1.564 -5.050 1.00 0.00 C ATOM 570 O ILE A 38 -2.695 0.550 -4.780 1.00 0.00 O ATOM 571 CB ILE A 38 -2.411 3.761 -4.351 1.00 0.00 C ATOM 572 CG1 ILE A 38 -2.016 5.150 -4.844 1.00 0.00 C ATOM 573 CG2 ILE A 38 -1.328 3.186 -3.449 1.00 0.00 C ATOM 574 CD1 ILE A 38 -0.796 5.150 -5.732 1.00 0.00 C ATOM 0 H ILE A 38 -3.997 4.293 -6.222 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.705 2.605 -6.010 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.330 3.847 -3.772 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.853 5.584 -5.390 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.829 5.793 -3.984 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.159 3.859 -2.608 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.644 2.212 -3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.404 3.075 -4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.574 6.170 -6.045 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.054 4.746 -5.182 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.986 4.534 -6.611 1.00 0.00 H new ATOM 586 N ALA A 39 -4.662 1.635 -4.974 1.00 0.00 N ATOM 587 CA ALA A 39 -5.465 0.502 -4.545 1.00 0.00 C ATOM 588 C ALA A 39 -5.668 -0.448 -5.711 1.00 0.00 C ATOM 589 O ALA A 39 -5.833 -1.656 -5.532 1.00 0.00 O ATOM 590 CB ALA A 39 -6.805 0.973 -3.997 1.00 0.00 C ATOM 0 H ALA A 39 -5.201 2.469 -5.205 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.941 -0.023 -3.746 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.392 0.111 -3.681 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.638 1.631 -3.144 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.345 1.515 -4.773 1.00 0.00 H new ATOM 596 N ALA A 40 -5.628 0.111 -6.914 1.00 0.00 N ATOM 597 CA ALA A 40 -5.783 -0.673 -8.126 1.00 0.00 C ATOM 598 C ALA A 40 -4.434 -1.216 -8.579 1.00 0.00 C ATOM 599 O ALA A 40 -4.364 -2.185 -9.329 1.00 0.00 O ATOM 600 CB ALA A 40 -6.420 0.164 -9.224 1.00 0.00 C ATOM 0 H ALA A 40 -5.489 1.109 -7.073 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.441 -1.515 -7.914 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.529 -0.440 -10.125 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.401 0.507 -8.897 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.787 1.025 -9.438 1.00 0.00 H new ATOM 606 N TYR A 41 -3.363 -0.593 -8.102 1.00 0.00 N ATOM 607 CA TYR A 41 -2.014 -1.025 -8.451 1.00 0.00 C ATOM 608 C TYR A 41 -1.559 -2.120 -7.503 1.00 0.00 C ATOM 609 O TYR A 41 -0.804 -3.012 -7.880 1.00 0.00 O ATOM 610 CB TYR A 41 -1.037 0.156 -8.402 1.00 0.00 C ATOM 611 CG TYR A 41 0.391 -0.212 -8.753 1.00 0.00 C ATOM 612 CD1 TYR A 41 1.148 -1.033 -7.924 1.00 0.00 C ATOM 613 CD2 TYR A 41 0.979 0.262 -9.918 1.00 0.00 C ATOM 614 CE1 TYR A 41 2.450 -1.368 -8.247 1.00 0.00 C ATOM 615 CE2 TYR A 41 2.281 -0.069 -10.248 1.00 0.00 C ATOM 616 CZ TYR A 41 3.011 -0.884 -9.409 1.00 0.00 C ATOM 617 OH TYR A 41 4.306 -1.216 -9.734 1.00 0.00 O ATOM 0 H TYR A 41 -3.401 0.210 -7.475 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.028 -1.417 -9.468 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.382 0.929 -9.089 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.055 0.588 -7.401 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.712 -1.415 -7.013 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.410 0.900 -10.578 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.025 -2.006 -7.592 1.00 0.00 H new ATOM 0 HE2 TYR A 41 2.723 0.309 -11.158 1.00 0.00 H new ATOM 0 HH TYR A 41 4.548 -0.794 -10.585 1.00 0.00 H new ATOM 627 N ILE A 42 -2.044 -2.050 -6.274 1.00 0.00 N ATOM 628 CA ILE A 42 -1.714 -3.034 -5.259 1.00 0.00 C ATOM 629 C ILE A 42 -2.650 -4.222 -5.379 1.00 0.00 C ATOM 630 O ILE A 42 -2.265 -5.367 -5.141 1.00 0.00 O ATOM 631 CB ILE A 42 -1.832 -2.429 -3.846 1.00 0.00 C ATOM 632 CG1 ILE A 42 -0.907 -1.219 -3.711 1.00 0.00 C ATOM 633 CG2 ILE A 42 -1.505 -3.473 -2.786 1.00 0.00 C ATOM 634 CD1 ILE A 42 -1.286 -0.299 -2.571 1.00 0.00 C ATOM 0 H ILE A 42 -2.674 -1.314 -5.954 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.684 -3.355 -5.414 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.860 -2.100 -3.694 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.115 -1.567 -3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.920 -0.655 -4.644 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.594 -3.026 -1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.200 -4.308 -2.871 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.486 -3.833 -2.932 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.589 0.538 -2.532 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.297 0.077 -2.728 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.245 -0.849 -1.631 1.00 0.00 H new ATOM 646 N LYS A 43 -3.884 -3.937 -5.776 1.00 0.00 N ATOM 647 CA LYS A 43 -4.877 -4.980 -5.951 1.00 0.00 C ATOM 648 C LYS A 43 -4.619 -5.713 -7.249 1.00 0.00 C ATOM 649 O LYS A 43 -4.821 -6.922 -7.342 1.00 0.00 O ATOM 650 CB LYS A 43 -6.293 -4.401 -5.941 1.00 0.00 C ATOM 651 CG LYS A 43 -7.373 -5.460 -6.091 1.00 0.00 C ATOM 652 CD LYS A 43 -8.768 -4.896 -5.865 1.00 0.00 C ATOM 653 CE LYS A 43 -9.241 -4.044 -7.035 1.00 0.00 C ATOM 654 NZ LYS A 43 -8.422 -2.815 -7.210 1.00 0.00 N ATOM 0 H LYS A 43 -4.217 -2.995 -5.981 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.797 -5.679 -5.118 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.451 -3.860 -5.008 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.388 -3.677 -6.750 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.316 -5.895 -7.089 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.190 -6.266 -5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.469 -5.716 -5.709 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.772 -4.295 -4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.204 -4.635 -7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.283 -3.764 -6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.035 -2.028 -7.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.958 -2.576 -6.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.699 -2.980 -7.939 1.00 0.00 H new ATOM 668 N LYS A 44 -4.137 -4.979 -8.243 1.00 0.00 N ATOM 669 CA LYS A 44 -3.820 -5.591 -9.523 1.00 0.00 C ATOM 670 C LYS A 44 -2.442 -6.229 -9.456 1.00 0.00 C ATOM 671 O LYS A 44 -2.155 -7.188 -10.173 1.00 0.00 O ATOM 672 CB LYS A 44 -3.883 -4.567 -10.659 1.00 0.00 C ATOM 673 CG LYS A 44 -5.293 -4.083 -10.962 1.00 0.00 C ATOM 674 CD LYS A 44 -5.292 -2.994 -12.024 1.00 0.00 C ATOM 675 CE LYS A 44 -4.690 -3.486 -13.331 1.00 0.00 C ATOM 676 NZ LYS A 44 -4.682 -2.423 -14.374 1.00 0.00 N ATOM 0 H LYS A 44 -3.960 -3.976 -8.189 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.563 -6.360 -9.732 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.261 -3.710 -10.400 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.458 -5.009 -11.560 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.902 -4.922 -11.300 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.752 -3.703 -10.050 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.313 -2.654 -12.198 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.727 -2.134 -11.664 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.671 -3.829 -13.155 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.257 -4.344 -13.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.264 -2.798 -15.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.657 -2.113 -14.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.119 -1.614 -14.041 1.00 0.00 H new ATOM 690 N GLU A 45 -1.595 -5.703 -8.572 1.00 0.00 N ATOM 691 CA GLU A 45 -0.252 -6.244 -8.405 1.00 0.00 C ATOM 692 C GLU A 45 -0.308 -7.619 -7.757 1.00 0.00 C ATOM 693 O GLU A 45 0.468 -8.508 -8.106 1.00 0.00 O ATOM 694 CB GLU A 45 0.615 -5.302 -7.563 1.00 0.00 C ATOM 695 CG GLU A 45 1.995 -5.856 -7.244 1.00 0.00 C ATOM 696 CD GLU A 45 2.828 -6.113 -8.485 1.00 0.00 C ATOM 697 OE1 GLU A 45 2.337 -5.836 -9.600 1.00 0.00 O ATOM 698 OE2 GLU A 45 3.974 -6.587 -8.341 1.00 0.00 O ATOM 0 H GLU A 45 -1.814 -4.911 -7.967 1.00 0.00 H new ATOM 0 HA GLU A 45 0.198 -6.338 -9.393 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.727 -4.356 -8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.097 -5.084 -6.629 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.522 -5.155 -6.597 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.888 -6.786 -6.685 1.00 0.00 H new ATOM 705 N PHE A 46 -1.225 -7.793 -6.811 1.00 0.00 N ATOM 706 CA PHE A 46 -1.361 -9.072 -6.125 1.00 0.00 C ATOM 707 C PHE A 46 -2.350 -9.995 -6.835 1.00 0.00 C ATOM 708 O PHE A 46 -2.073 -11.177 -7.034 1.00 0.00 O ATOM 709 CB PHE A 46 -1.768 -8.853 -4.666 1.00 0.00 C ATOM 710 CG PHE A 46 -0.659 -8.283 -3.828 1.00 0.00 C ATOM 711 CD1 PHE A 46 0.518 -8.993 -3.648 1.00 0.00 C ATOM 712 CD2 PHE A 46 -0.785 -7.041 -3.228 1.00 0.00 C ATOM 713 CE1 PHE A 46 1.546 -8.476 -2.884 1.00 0.00 C ATOM 714 CE2 PHE A 46 0.242 -6.519 -2.463 1.00 0.00 C ATOM 715 CZ PHE A 46 1.408 -7.237 -2.293 1.00 0.00 C ATOM 0 H PHE A 46 -1.879 -7.072 -6.504 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.389 -9.565 -6.146 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.625 -8.181 -4.630 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.089 -9.802 -4.237 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.633 -9.962 -4.111 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.695 -6.474 -3.359 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.457 -9.041 -2.749 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.132 -5.550 -1.999 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.212 -6.829 -1.698 1.00 0.00 H new ATOM 725 N ASP A 47 -3.499 -9.454 -7.216 1.00 0.00 N ATOM 726 CA ASP A 47 -4.524 -10.230 -7.901 1.00 0.00 C ATOM 727 C ASP A 47 -3.987 -10.859 -9.183 1.00 0.00 C ATOM 728 O ASP A 47 -4.255 -12.025 -9.471 1.00 0.00 O ATOM 729 CB ASP A 47 -5.725 -9.336 -8.219 1.00 0.00 C ATOM 730 CG ASP A 47 -6.809 -10.059 -8.993 1.00 0.00 C ATOM 731 OD1 ASP A 47 -6.622 -11.252 -9.301 1.00 0.00 O ATOM 732 OD2 ASP A 47 -7.844 -9.429 -9.298 1.00 0.00 O ATOM 0 H ASP A 47 -3.745 -8.476 -7.061 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.835 -11.038 -7.238 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.144 -8.954 -7.288 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.388 -8.474 -8.795 1.00 0.00 H new ATOM 737 N LYS A 48 -3.258 -10.075 -9.965 1.00 0.00 N ATOM 738 CA LYS A 48 -2.721 -10.556 -11.234 1.00 0.00 C ATOM 739 C LYS A 48 -1.330 -11.176 -11.097 1.00 0.00 C ATOM 740 O LYS A 48 -0.660 -11.406 -12.105 1.00 0.00 O ATOM 741 CB LYS A 48 -2.679 -9.419 -12.255 1.00 0.00 C ATOM 742 CG LYS A 48 -4.051 -8.867 -12.606 1.00 0.00 C ATOM 743 CD LYS A 48 -3.957 -7.739 -13.620 1.00 0.00 C ATOM 744 CE LYS A 48 -5.335 -7.229 -14.015 1.00 0.00 C ATOM 745 NZ LYS A 48 -6.108 -6.742 -12.838 1.00 0.00 N ATOM 0 H LYS A 48 -3.025 -9.107 -9.746 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.392 -11.343 -11.577 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.061 -8.612 -11.862 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.196 -9.776 -13.165 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.674 -9.667 -13.007 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.540 -8.505 -11.702 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.371 -6.921 -13.202 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.429 -8.089 -14.507 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.229 -6.421 -14.739 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.890 -8.027 -14.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.545 -5.826 -13.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.851 -7.430 -12.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.469 -6.629 -12.025 1.00 0.00 H new ATOM 759 N LYS A 49 -0.883 -11.453 -9.872 1.00 0.00 N ATOM 760 CA LYS A 49 0.441 -12.049 -9.695 1.00 0.00 C ATOM 761 C LYS A 49 0.549 -12.894 -8.432 1.00 0.00 C ATOM 762 O LYS A 49 1.652 -13.223 -7.992 1.00 0.00 O ATOM 763 CB LYS A 49 1.523 -10.968 -9.692 1.00 0.00 C ATOM 764 CG LYS A 49 1.516 -10.090 -10.933 1.00 0.00 C ATOM 765 CD LYS A 49 2.624 -9.052 -10.886 1.00 0.00 C ATOM 766 CE LYS A 49 2.602 -8.157 -12.116 1.00 0.00 C ATOM 767 NZ LYS A 49 2.772 -8.936 -13.375 1.00 0.00 N ATOM 0 H LYS A 49 -1.401 -11.281 -9.010 1.00 0.00 H new ATOM 0 HA LYS A 49 0.592 -12.717 -10.543 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.392 -10.338 -8.812 1.00 0.00 H new ATOM 0 HB3 LYS A 49 2.499 -11.444 -9.601 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.635 -10.711 -11.820 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.551 -9.590 -11.021 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.515 -8.442 -9.989 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.590 -9.552 -10.816 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.659 -7.612 -12.151 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.396 -7.415 -12.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.955 -8.284 -14.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.574 -9.590 -13.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.906 -9.478 -13.567 1.00 0.00 H new ATOM 781 N TYR A 50 -0.584 -13.261 -7.864 1.00 0.00 N ATOM 782 CA TYR A 50 -0.602 -14.086 -6.668 1.00 0.00 C ATOM 783 C TYR A 50 -1.856 -14.939 -6.637 1.00 0.00 C ATOM 784 O TYR A 50 -1.803 -16.132 -6.342 1.00 0.00 O ATOM 785 CB TYR A 50 -0.532 -13.230 -5.396 1.00 0.00 C ATOM 786 CG TYR A 50 0.793 -12.525 -5.189 1.00 0.00 C ATOM 787 CD1 TYR A 50 1.173 -11.455 -5.991 1.00 0.00 C ATOM 788 CD2 TYR A 50 1.665 -12.933 -4.187 1.00 0.00 C ATOM 789 CE1 TYR A 50 2.383 -10.815 -5.801 1.00 0.00 C ATOM 790 CE2 TYR A 50 2.875 -12.297 -3.990 1.00 0.00 C ATOM 791 CZ TYR A 50 3.229 -11.239 -4.799 1.00 0.00 C ATOM 792 OH TYR A 50 4.434 -10.604 -4.606 1.00 0.00 O ATOM 0 H TYR A 50 -1.507 -13.001 -8.212 1.00 0.00 H new ATOM 0 HA TYR A 50 0.277 -14.730 -6.698 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.325 -12.484 -5.431 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.730 -13.866 -4.533 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.512 -11.118 -6.776 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.392 -13.762 -3.551 1.00 0.00 H new ATOM 0 HE1 TYR A 50 2.664 -9.987 -6.435 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.540 -12.627 -3.206 1.00 0.00 H new ATOM 0 HH TYR A 50 4.739 -10.753 -3.687 1.00 0.00 H new ATOM 802 N ASN A 51 -2.986 -14.298 -6.930 1.00 0.00 N ATOM 803 CA ASN A 51 -4.293 -14.954 -6.926 1.00 0.00 C ATOM 804 C ASN A 51 -5.405 -13.923 -6.742 1.00 0.00 C ATOM 805 O ASN A 51 -5.280 -13.007 -5.930 1.00 0.00 O ATOM 806 CB ASN A 51 -4.384 -15.991 -5.800 1.00 0.00 C ATOM 807 CG ASN A 51 -3.945 -15.453 -4.440 1.00 0.00 C ATOM 808 OD1 ASN A 51 -3.427 -14.223 -4.391 1.00 0.00 O flip ATOM 809 ND2 ASN A 51 -4.062 -16.151 -3.432 1.00 0.00 N flip ATOM 0 H ASN A 51 -3.022 -13.309 -7.177 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.413 -15.458 -7.885 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.412 -16.347 -5.727 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.766 -16.851 -6.058 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.462 -17.087 -3.503 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.759 -15.793 -2.526 1.00 0.00 H new ATOM 816 N PRO A 52 -6.515 -14.059 -7.486 1.00 0.00 N ATOM 817 CA PRO A 52 -7.645 -13.137 -7.384 1.00 0.00 C ATOM 818 C PRO A 52 -8.558 -13.488 -6.202 1.00 0.00 C ATOM 819 O PRO A 52 -8.876 -14.660 -5.997 1.00 0.00 O ATOM 820 CB PRO A 52 -8.383 -13.365 -8.701 1.00 0.00 C ATOM 821 CG PRO A 52 -8.131 -14.799 -9.022 1.00 0.00 C ATOM 822 CD PRO A 52 -6.762 -15.124 -8.478 1.00 0.00 C ATOM 0 HA PRO A 52 -7.333 -12.106 -7.218 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.449 -13.162 -8.600 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.007 -12.710 -9.486 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.890 -15.437 -8.570 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.172 -14.969 -10.098 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.738 -16.112 -8.018 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.008 -15.120 -9.265 1.00 0.00 H new ATOM 830 N THR A 53 -8.985 -12.487 -5.423 1.00 0.00 N ATOM 831 CA THR A 53 -8.619 -11.099 -5.651 1.00 0.00 C ATOM 832 C THR A 53 -8.418 -10.392 -4.331 1.00 0.00 C ATOM 833 O THR A 53 -9.047 -10.721 -3.326 1.00 0.00 O ATOM 834 CB THR A 53 -9.687 -10.369 -6.451 1.00 0.00 C ATOM 835 OG1 THR A 53 -10.111 -11.144 -7.559 1.00 0.00 O ATOM 836 CG2 THR A 53 -9.225 -9.029 -6.980 1.00 0.00 C ATOM 0 H THR A 53 -9.595 -12.625 -4.617 1.00 0.00 H new ATOM 0 HA THR A 53 -7.690 -11.091 -6.222 1.00 0.00 H new ATOM 0 HB THR A 53 -10.506 -10.206 -5.751 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.799 -10.654 -8.057 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.034 -8.561 -7.541 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.943 -8.386 -6.146 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.365 -9.173 -7.634 1.00 0.00 H new ATOM 844 N TRP A 54 -7.538 -9.421 -4.349 1.00 0.00 N ATOM 845 CA TRP A 54 -7.236 -8.653 -3.154 1.00 0.00 C ATOM 846 C TRP A 54 -8.103 -7.406 -3.077 1.00 0.00 C ATOM 847 O TRP A 54 -8.712 -6.999 -4.066 1.00 0.00 O ATOM 848 CB TRP A 54 -5.754 -8.288 -3.124 1.00 0.00 C ATOM 849 CG TRP A 54 -4.865 -9.495 -3.152 1.00 0.00 C ATOM 850 CD1 TRP A 54 -4.525 -10.246 -4.241 1.00 0.00 C ATOM 851 CD2 TRP A 54 -4.237 -10.111 -2.027 1.00 0.00 C ATOM 852 NE1 TRP A 54 -3.700 -11.279 -3.861 1.00 0.00 N ATOM 853 CE2 TRP A 54 -3.510 -11.218 -2.505 1.00 0.00 C ATOM 854 CE3 TRP A 54 -4.214 -9.826 -0.662 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -2.769 -12.040 -1.661 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -3.477 -10.642 0.176 1.00 0.00 C ATOM 857 CH2 TRP A 54 -2.762 -11.738 -0.326 1.00 0.00 C ATOM 0 H TRP A 54 -7.014 -9.139 -5.178 1.00 0.00 H new ATOM 0 HA TRP A 54 -7.459 -9.268 -2.282 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.523 -7.651 -3.977 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.544 -7.707 -2.226 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.855 -10.057 -5.252 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.296 -11.976 -4.486 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.762 -8.983 -0.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.219 -12.886 -2.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.452 -10.431 1.235 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.194 -12.356 0.354 1.00 0.00 H new ATOM 868 N HIS A 55 -8.178 -6.812 -1.892 1.00 0.00 N ATOM 869 CA HIS A 55 -8.998 -5.622 -1.699 1.00 0.00 C ATOM 870 C HIS A 55 -8.220 -4.490 -1.027 1.00 0.00 C ATOM 871 O HIS A 55 -8.710 -3.863 -0.090 1.00 0.00 O ATOM 872 CB HIS A 55 -10.239 -5.968 -0.875 1.00 0.00 C ATOM 873 CG HIS A 55 -11.153 -6.940 -1.552 1.00 0.00 C ATOM 874 ND1 HIS A 55 -10.761 -8.213 -1.916 1.00 0.00 N ATOM 875 CD2 HIS A 55 -12.447 -6.824 -1.933 1.00 0.00 C ATOM 876 CE1 HIS A 55 -11.776 -8.834 -2.492 1.00 0.00 C ATOM 877 NE2 HIS A 55 -12.809 -8.014 -2.513 1.00 0.00 N ATOM 0 H HIS A 55 -7.686 -7.131 -1.057 1.00 0.00 H new ATOM 0 HA HIS A 55 -9.301 -5.270 -2.685 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -9.925 -6.383 0.083 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -10.790 -5.052 -0.661 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -13.077 -5.956 -1.804 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -11.762 -9.842 -2.880 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -13.729 -8.230 -2.898 1.00 0.00 H new ATOM 886 N CYS A 56 -7.014 -4.223 -1.517 1.00 0.00 N ATOM 887 CA CYS A 56 -6.190 -3.153 -0.967 1.00 0.00 C ATOM 888 C CYS A 56 -6.884 -1.803 -1.122 1.00 0.00 C ATOM 889 O CYS A 56 -6.992 -1.272 -2.227 1.00 0.00 O ATOM 890 CB CYS A 56 -4.827 -3.123 -1.664 1.00 0.00 C ATOM 891 SG CYS A 56 -3.711 -1.841 -1.047 1.00 0.00 S ATOM 0 H CYS A 56 -6.587 -4.731 -2.291 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.042 -3.347 0.095 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.348 -4.095 -1.544 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.980 -2.973 -2.733 1.00 0.00 H new ATOM 0 HG CYS A 56 -4.302 -0.685 -1.108 1.00 0.00 H new ATOM 897 N ILE A 57 -7.356 -1.254 -0.006 1.00 0.00 N ATOM 898 CA ILE A 57 -8.041 0.030 -0.016 1.00 0.00 C ATOM 899 C ILE A 57 -7.158 1.118 0.576 1.00 0.00 C ATOM 900 O ILE A 57 -6.193 0.830 1.285 1.00 0.00 O ATOM 901 CB ILE A 57 -9.360 -0.026 0.782 1.00 0.00 C ATOM 902 CG1 ILE A 57 -10.217 -1.196 0.300 1.00 0.00 C ATOM 903 CG2 ILE A 57 -10.119 1.290 0.653 1.00 0.00 C ATOM 904 CD1 ILE A 57 -11.600 -1.232 0.915 1.00 0.00 C ATOM 0 H ILE A 57 -7.275 -1.681 0.917 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.265 0.262 -1.057 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.126 -0.180 1.835 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.313 -1.142 -0.784 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.703 -2.130 0.529 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -11.047 1.232 1.222 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.505 2.103 1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.348 1.477 -0.396 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -12.149 -2.089 0.525 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -11.514 -1.318 1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.133 -0.315 0.665 1.00 0.00 H new ATOM 916 N VAL A 58 -7.495 2.366 0.286 1.00 0.00 N ATOM 917 CA VAL A 58 -6.734 3.496 0.797 1.00 0.00 C ATOM 918 C VAL A 58 -7.657 4.485 1.506 1.00 0.00 C ATOM 919 O VAL A 58 -8.773 4.736 1.050 1.00 0.00 O ATOM 920 CB VAL A 58 -5.984 4.227 -0.339 1.00 0.00 C ATOM 921 CG1 VAL A 58 -5.136 5.359 0.218 1.00 0.00 C ATOM 922 CG2 VAL A 58 -5.132 3.248 -1.135 1.00 0.00 C ATOM 0 H VAL A 58 -8.290 2.621 -0.300 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.004 3.105 1.505 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.722 4.660 -1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.617 5.860 -0.599 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.777 6.074 0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.405 4.955 0.919 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.612 3.782 -1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.402 2.780 -0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.771 2.480 -1.571 1.00 0.00 H new ATOM 932 N GLY A 59 -7.195 5.043 2.624 1.00 0.00 N ATOM 933 CA GLY A 59 -8.014 5.991 3.362 1.00 0.00 C ATOM 934 C GLY A 59 -7.219 6.773 4.382 1.00 0.00 C ATOM 935 O GLY A 59 -6.050 7.077 4.164 1.00 0.00 O ATOM 0 H GLY A 59 -6.277 4.858 3.029 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.482 6.684 2.662 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.818 5.456 3.866 1.00 0.00 H new ATOM 939 N ARG A 60 -7.853 7.102 5.502 1.00 0.00 N ATOM 940 CA ARG A 60 -7.195 7.855 6.561 1.00 0.00 C ATOM 941 C ARG A 60 -7.764 7.474 7.922 1.00 0.00 C ATOM 942 O ARG A 60 -7.148 6.722 8.679 1.00 0.00 O ATOM 943 CB ARG A 60 -7.357 9.361 6.323 1.00 0.00 C ATOM 944 CG ARG A 60 -6.751 9.841 5.014 1.00 0.00 C ATOM 945 CD ARG A 60 -6.989 11.328 4.806 1.00 0.00 C ATOM 946 NE ARG A 60 -6.417 12.132 5.883 1.00 0.00 N ATOM 947 CZ ARG A 60 -6.481 13.461 5.932 1.00 0.00 C ATOM 948 NH1 ARG A 60 -7.092 14.137 4.966 1.00 0.00 N ATOM 949 NH2 ARG A 60 -5.936 14.114 6.948 1.00 0.00 N ATOM 0 H ARG A 60 -8.824 6.858 5.699 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.133 7.610 6.548 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.418 9.610 6.335 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -6.894 9.902 7.148 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -5.680 9.638 5.011 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.184 9.282 4.184 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.554 11.635 3.855 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -8.060 11.518 4.742 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.940 11.646 6.643 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.514 13.638 4.183 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.139 15.155 5.007 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.467 13.599 7.693 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.985 15.132 6.985 1.00 0.00 H new ATOM 963 N SER A 61 -8.946 7.995 8.223 1.00 0.00 N ATOM 964 CA SER A 61 -9.612 7.710 9.486 1.00 0.00 C ATOM 965 C SER A 61 -11.104 7.475 9.268 1.00 0.00 C ATOM 966 O SER A 61 -11.945 8.134 9.879 1.00 0.00 O ATOM 967 CB SER A 61 -9.400 8.862 10.470 1.00 0.00 C ATOM 968 OG SER A 61 -10.044 8.603 11.706 1.00 0.00 O ATOM 0 H SER A 61 -9.465 8.620 7.606 1.00 0.00 H new ATOM 0 HA SER A 61 -9.176 6.803 9.905 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.333 9.010 10.636 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.787 9.786 10.041 1.00 0.00 H new ATOM 0 HG SER A 61 -11.012 8.540 11.564 1.00 0.00 H new ATOM 974 N GLY A 62 -11.424 6.534 8.383 1.00 0.00 N ATOM 975 CA GLY A 62 -12.815 6.233 8.089 1.00 0.00 C ATOM 976 C GLY A 62 -13.350 5.059 8.889 1.00 0.00 C ATOM 977 O GLY A 62 -14.343 4.443 8.502 1.00 0.00 O ATOM 0 H GLY A 62 -10.746 5.975 7.865 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.423 7.114 8.296 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -12.917 6.018 7.025 1.00 0.00 H new ATOM 981 N ASN A 63 -12.699 4.750 10.006 1.00 0.00 N ATOM 982 CA ASN A 63 -13.126 3.643 10.855 1.00 0.00 C ATOM 983 C ASN A 63 -13.072 2.323 10.090 1.00 0.00 C ATOM 984 O ASN A 63 -14.092 1.663 9.892 1.00 0.00 O ATOM 985 CB ASN A 63 -14.546 3.892 11.376 1.00 0.00 C ATOM 986 CG ASN A 63 -15.034 2.833 12.360 1.00 0.00 C ATOM 987 OD1 ASN A 63 -14.147 1.942 12.800 1.00 0.00 O flip ATOM 988 ND2 ASN A 63 -16.206 2.831 12.738 1.00 0.00 N flip ATOM 0 H ASN A 63 -11.876 5.249 10.344 1.00 0.00 H new ATOM 0 HA ASN A 63 -12.444 3.579 11.703 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -14.580 4.868 11.860 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -15.232 3.932 10.530 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -16.858 3.529 12.380 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.524 2.132 13.409 1.00 0.00 H new ATOM 995 N PHE A 64 -11.871 1.945 9.666 1.00 0.00 N ATOM 996 CA PHE A 64 -11.676 0.702 8.927 1.00 0.00 C ATOM 997 C PHE A 64 -10.516 -0.105 9.500 1.00 0.00 C ATOM 998 O PHE A 64 -9.862 -0.865 8.786 1.00 0.00 O ATOM 999 CB PHE A 64 -11.457 0.985 7.433 1.00 0.00 C ATOM 1000 CG PHE A 64 -10.321 1.930 7.113 1.00 0.00 C ATOM 1001 CD1 PHE A 64 -9.433 2.361 8.091 1.00 0.00 C ATOM 1002 CD2 PHE A 64 -10.147 2.388 5.815 1.00 0.00 C ATOM 1003 CE1 PHE A 64 -8.401 3.227 7.776 1.00 0.00 C ATOM 1004 CE2 PHE A 64 -9.119 3.253 5.499 1.00 0.00 C ATOM 1005 CZ PHE A 64 -8.245 3.673 6.479 1.00 0.00 C ATOM 0 H PHE A 64 -11.017 2.481 9.821 1.00 0.00 H new ATOM 0 HA PHE A 64 -12.582 0.105 9.033 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -11.274 0.039 6.924 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -12.378 1.397 7.020 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -9.550 2.016 9.108 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -10.826 2.063 5.041 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -7.717 3.554 8.545 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.999 3.601 4.484 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.440 4.349 6.232 1.00 0.00 H new ATOM 1015 N GLY A 65 -10.274 0.058 10.796 1.00 0.00 N ATOM 1016 CA GLY A 65 -9.201 -0.669 11.447 1.00 0.00 C ATOM 1017 C GLY A 65 -9.663 -2.004 11.997 1.00 0.00 C ATOM 1018 O GLY A 65 -8.877 -2.944 12.106 1.00 0.00 O ATOM 0 H GLY A 65 -10.802 0.681 11.407 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.391 -0.832 10.736 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.795 -0.065 12.258 1.00 0.00 H new ATOM 1022 N SER A 66 -10.947 -2.088 12.341 1.00 0.00 N ATOM 1023 CA SER A 66 -11.514 -3.317 12.880 1.00 0.00 C ATOM 1024 C SER A 66 -12.389 -4.016 11.845 1.00 0.00 C ATOM 1025 O SER A 66 -13.340 -4.718 12.190 1.00 0.00 O ATOM 1026 CB SER A 66 -12.330 -3.021 14.139 1.00 0.00 C ATOM 1027 OG SER A 66 -12.885 -4.209 14.678 1.00 0.00 O ATOM 0 H SER A 66 -11.612 -1.319 12.255 1.00 0.00 H new ATOM 0 HA SER A 66 -10.690 -3.981 13.139 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.694 -2.542 14.884 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.128 -2.318 13.902 1.00 0.00 H new ATOM 0 HG SER A 66 -13.227 -4.770 13.951 1.00 0.00 H new ATOM 1033 N TYR A 67 -12.058 -3.820 10.573 1.00 0.00 N ATOM 1034 CA TYR A 67 -12.807 -4.427 9.479 1.00 0.00 C ATOM 1035 C TYR A 67 -11.917 -5.364 8.665 1.00 0.00 C ATOM 1036 O TYR A 67 -12.403 -6.288 8.014 1.00 0.00 O ATOM 1037 CB TYR A 67 -13.402 -3.338 8.580 1.00 0.00 C ATOM 1038 CG TYR A 67 -14.250 -3.866 7.442 1.00 0.00 C ATOM 1039 CD1 TYR A 67 -13.681 -4.574 6.391 1.00 0.00 C ATOM 1040 CD2 TYR A 67 -15.623 -3.652 7.424 1.00 0.00 C ATOM 1041 CE1 TYR A 67 -14.457 -5.056 5.353 1.00 0.00 C ATOM 1042 CE2 TYR A 67 -16.405 -4.132 6.390 1.00 0.00 C ATOM 1043 CZ TYR A 67 -15.818 -4.832 5.357 1.00 0.00 C ATOM 1044 OH TYR A 67 -16.591 -5.311 4.325 1.00 0.00 O ATOM 0 H TYR A 67 -11.272 -3.243 10.274 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.620 -5.016 9.903 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -14.009 -2.670 9.191 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.590 -2.741 8.166 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -12.616 -4.751 6.385 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -16.086 -3.102 8.230 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -14.000 -5.605 4.543 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -17.471 -3.960 6.391 1.00 0.00 H new ATOM 0 HH TYR A 67 -17.528 -5.070 4.479 1.00 0.00 H new ATOM 1054 N VAL A 68 -10.611 -5.118 8.708 1.00 0.00 N ATOM 1055 CA VAL A 68 -9.640 -5.931 7.979 1.00 0.00 C ATOM 1056 C VAL A 68 -9.929 -7.426 8.133 1.00 0.00 C ATOM 1057 O VAL A 68 -9.603 -8.225 7.257 1.00 0.00 O ATOM 1058 CB VAL A 68 -8.202 -5.643 8.457 1.00 0.00 C ATOM 1059 CG1 VAL A 68 -7.191 -6.407 7.614 1.00 0.00 C ATOM 1060 CG2 VAL A 68 -7.915 -4.148 8.422 1.00 0.00 C ATOM 0 H VAL A 68 -10.197 -4.356 9.245 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.731 -5.661 6.927 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.110 -5.984 9.488 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.183 -6.189 7.968 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.382 -7.477 7.698 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.283 -6.103 6.571 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.896 -3.965 8.763 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.028 -3.780 7.402 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.615 -3.628 9.076 1.00 0.00 H new ATOM 1070 N THR A 69 -10.549 -7.797 9.244 1.00 0.00 N ATOM 1071 CA THR A 69 -10.884 -9.192 9.496 1.00 0.00 C ATOM 1072 C THR A 69 -11.863 -9.703 8.460 1.00 0.00 C ATOM 1073 O THR A 69 -11.545 -10.602 7.682 1.00 0.00 O ATOM 1074 CB THR A 69 -11.469 -9.355 10.900 1.00 0.00 C ATOM 1075 OG1 THR A 69 -10.555 -8.895 11.879 1.00 0.00 O ATOM 1076 CG2 THR A 69 -11.822 -10.786 11.241 1.00 0.00 C ATOM 0 H THR A 69 -10.830 -7.154 9.984 1.00 0.00 H new ATOM 0 HA THR A 69 -9.969 -9.780 9.427 1.00 0.00 H new ATOM 0 HB THR A 69 -12.384 -8.763 10.901 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.947 -9.006 12.770 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.231 -10.829 12.250 1.00 0.00 H new ATOM 0 HG22 THR A 69 -12.563 -11.157 10.533 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.926 -11.405 11.186 1.00 0.00 H new ATOM 1084 N HIS A 70 -13.061 -9.144 8.462 1.00 0.00 N ATOM 1085 CA HIS A 70 -14.098 -9.563 7.525 1.00 0.00 C ATOM 1086 C HIS A 70 -14.226 -11.091 7.509 1.00 0.00 C ATOM 1087 O HIS A 70 -14.795 -11.668 6.582 1.00 0.00 O ATOM 1088 CB HIS A 70 -13.779 -9.049 6.118 1.00 0.00 C ATOM 1089 CG HIS A 70 -14.894 -9.249 5.136 1.00 0.00 C ATOM 1090 ND1 HIS A 70 -16.147 -9.738 5.302 1.00 0.00 N flip ATOM 1091 CD2 HIS A 70 -14.786 -8.922 3.801 1.00 0.00 C flip ATOM 1092 CE1 HIS A 70 -16.766 -9.695 4.077 1.00 0.00 C flip ATOM 1093 NE2 HIS A 70 -15.925 -9.199 3.188 1.00 0.00 N flip ATOM 0 H HIS A 70 -13.343 -8.400 9.100 1.00 0.00 H new ATOM 0 HA HIS A 70 -15.047 -9.138 7.851 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -13.542 -7.986 6.174 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -12.887 -9.555 5.749 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -13.909 -8.505 3.329 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -17.777 -10.015 3.874 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -16.120 -9.054 2.197 1.00 0.00 H new ATOM 1102 N GLU A 71 -13.690 -11.740 8.546 1.00 0.00 N ATOM 1103 CA GLU A 71 -13.740 -13.192 8.658 1.00 0.00 C ATOM 1104 C GLU A 71 -12.959 -13.871 7.535 1.00 0.00 C ATOM 1105 O GLU A 71 -13.373 -14.916 7.031 1.00 0.00 O ATOM 1106 CB GLU A 71 -15.193 -13.680 8.652 1.00 0.00 C ATOM 1107 CG GLU A 71 -16.015 -13.182 9.832 1.00 0.00 C ATOM 1108 CD GLU A 71 -16.164 -11.673 9.849 1.00 0.00 C ATOM 1109 OE1 GLU A 71 -16.714 -11.121 8.874 1.00 0.00 O ATOM 1110 OE2 GLU A 71 -15.732 -11.046 10.838 1.00 0.00 O ATOM 0 H GLU A 71 -13.215 -11.276 9.321 1.00 0.00 H new ATOM 0 HA GLU A 71 -13.273 -13.463 9.605 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -15.671 -13.357 7.727 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -15.200 -14.770 8.651 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -17.004 -13.640 9.799 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -15.544 -13.507 10.760 1.00 0.00 H new ATOM 1117 N THR A 72 -11.824 -13.289 7.144 1.00 0.00 N ATOM 1118 CA THR A 72 -11.011 -13.869 6.089 1.00 0.00 C ATOM 1119 C THR A 72 -9.952 -14.814 6.674 1.00 0.00 C ATOM 1120 O THR A 72 -10.289 -15.868 7.211 1.00 0.00 O ATOM 1121 CB THR A 72 -10.376 -12.758 5.247 1.00 0.00 C ATOM 1122 OG1 THR A 72 -9.435 -13.296 4.338 1.00 0.00 O ATOM 1123 CG2 THR A 72 -9.675 -11.694 6.065 1.00 0.00 C ATOM 0 H THR A 72 -11.455 -12.425 7.541 1.00 0.00 H new ATOM 0 HA THR A 72 -11.649 -14.465 5.436 1.00 0.00 H new ATOM 0 HB THR A 72 -11.209 -12.288 4.725 1.00 0.00 H new ATOM 0 HG1 THR A 72 -9.243 -12.638 3.638 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.251 -10.943 5.398 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.391 -11.221 6.736 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.877 -12.152 6.650 1.00 0.00 H new ATOM 1131 N LYS A 73 -8.677 -14.441 6.570 1.00 0.00 N ATOM 1132 CA LYS A 73 -7.592 -15.254 7.084 1.00 0.00 C ATOM 1133 C LYS A 73 -6.338 -14.399 7.211 1.00 0.00 C ATOM 1134 O LYS A 73 -5.915 -14.052 8.314 1.00 0.00 O ATOM 1135 CB LYS A 73 -7.355 -16.450 6.153 1.00 0.00 C ATOM 1136 CG LYS A 73 -6.209 -17.362 6.568 1.00 0.00 C ATOM 1137 CD LYS A 73 -4.861 -16.700 6.344 1.00 0.00 C ATOM 1138 CE LYS A 73 -3.719 -17.694 6.497 1.00 0.00 C ATOM 1139 NZ LYS A 73 -3.692 -18.305 7.854 1.00 0.00 N ATOM 0 H LYS A 73 -8.376 -13.572 6.129 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.850 -15.639 8.071 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.270 -17.040 6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.159 -16.077 5.148 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.315 -17.626 7.620 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.258 -18.291 6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.831 -16.261 5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.732 -15.884 7.055 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.818 -18.479 5.747 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.771 -17.190 6.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.852 -18.911 7.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.657 -17.554 8.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.549 -18.878 7.994 1.00 0.00 H new ATOM 1153 N HIS A 74 -5.761 -14.051 6.070 1.00 0.00 N ATOM 1154 CA HIS A 74 -4.566 -13.217 6.034 1.00 0.00 C ATOM 1155 C HIS A 74 -4.942 -11.799 5.625 1.00 0.00 C ATOM 1156 O HIS A 74 -5.958 -11.592 4.963 1.00 0.00 O ATOM 1157 CB HIS A 74 -3.536 -13.797 5.063 1.00 0.00 C ATOM 1158 CG HIS A 74 -4.013 -13.857 3.646 1.00 0.00 C ATOM 1159 ND1 HIS A 74 -4.213 -14.915 2.822 1.00 0.00 N flip ATOM 1160 CD2 HIS A 74 -4.345 -12.737 2.914 1.00 0.00 C flip ATOM 1161 CE1 HIS A 74 -4.657 -14.416 1.623 1.00 0.00 C flip ATOM 1162 NE2 HIS A 74 -4.728 -13.101 1.704 1.00 0.00 N flip ATOM 0 H HIS A 74 -6.102 -14.335 5.152 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.121 -13.194 7.029 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -2.629 -13.194 5.107 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -3.267 -14.802 5.390 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.299 -11.720 3.274 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -4.908 -15.005 0.753 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -5.028 -12.473 0.959 1.00 0.00 H new ATOM 1171 N PHE A 75 -4.135 -10.820 6.025 1.00 0.00 N ATOM 1172 CA PHE A 75 -4.425 -9.429 5.693 1.00 0.00 C ATOM 1173 C PHE A 75 -3.382 -8.480 6.270 1.00 0.00 C ATOM 1174 O PHE A 75 -2.652 -8.823 7.199 1.00 0.00 O ATOM 1175 CB PHE A 75 -5.810 -9.044 6.218 1.00 0.00 C ATOM 1176 CG PHE A 75 -5.997 -9.327 7.683 1.00 0.00 C ATOM 1177 CD1 PHE A 75 -5.247 -8.657 8.636 1.00 0.00 C ATOM 1178 CD2 PHE A 75 -6.923 -10.267 8.106 1.00 0.00 C ATOM 1179 CE1 PHE A 75 -5.415 -8.920 9.983 1.00 0.00 C ATOM 1180 CE2 PHE A 75 -7.097 -10.535 9.451 1.00 0.00 C ATOM 1181 CZ PHE A 75 -6.342 -9.860 10.390 1.00 0.00 C ATOM 0 H PHE A 75 -3.286 -10.961 6.572 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.400 -9.339 4.607 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -5.976 -7.982 6.037 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -6.568 -9.586 5.652 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.522 -7.920 8.323 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -7.516 -10.797 7.376 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.823 -8.392 10.715 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.822 -11.271 9.767 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.476 -10.067 11.441 1.00 0.00 H new ATOM 1191 N ILE A 76 -3.339 -7.274 5.716 1.00 0.00 N ATOM 1192 CA ILE A 76 -2.409 -6.248 6.170 1.00 0.00 C ATOM 1193 C ILE A 76 -3.040 -4.867 6.090 1.00 0.00 C ATOM 1194 O ILE A 76 -3.979 -4.634 5.330 1.00 0.00 O ATOM 1195 CB ILE A 76 -1.094 -6.253 5.359 1.00 0.00 C ATOM 1196 CG1 ILE A 76 -0.246 -5.012 5.668 1.00 0.00 C ATOM 1197 CG2 ILE A 76 -1.381 -6.346 3.867 1.00 0.00 C ATOM 1198 CD1 ILE A 76 1.087 -4.996 4.953 1.00 0.00 C ATOM 0 H ILE A 76 -3.942 -6.982 4.947 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.173 -6.483 7.208 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.523 -7.133 5.656 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.808 -4.120 5.391 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.073 -4.959 6.743 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.441 -6.348 3.315 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.926 -7.266 3.658 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.981 -5.490 3.558 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.632 -4.090 5.219 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.669 -5.869 5.248 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.922 -5.017 3.876 1.00 0.00 H new ATOM 1210 N TYR A 77 -2.501 -3.957 6.884 1.00 0.00 N ATOM 1211 CA TYR A 77 -2.988 -2.583 6.918 1.00 0.00 C ATOM 1212 C TYR A 77 -2.005 -1.670 7.641 1.00 0.00 C ATOM 1213 O TYR A 77 -1.575 -1.961 8.758 1.00 0.00 O ATOM 1214 CB TYR A 77 -4.365 -2.510 7.580 1.00 0.00 C ATOM 1215 CG TYR A 77 -4.418 -3.102 8.970 1.00 0.00 C ATOM 1216 CD1 TYR A 77 -4.161 -4.448 9.187 1.00 0.00 C ATOM 1217 CD2 TYR A 77 -4.737 -2.311 10.068 1.00 0.00 C ATOM 1218 CE1 TYR A 77 -4.217 -4.991 10.455 1.00 0.00 C ATOM 1219 CE2 TYR A 77 -4.795 -2.845 11.340 1.00 0.00 C ATOM 1220 CZ TYR A 77 -4.535 -4.186 11.528 1.00 0.00 C ATOM 1221 OH TYR A 77 -4.595 -4.723 12.794 1.00 0.00 O ATOM 0 H TYR A 77 -1.723 -4.143 7.517 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.080 -2.239 5.888 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -4.677 -1.467 7.630 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -5.087 -3.029 6.949 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -3.913 -5.082 8.349 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.943 -1.261 9.923 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -4.013 -6.041 10.606 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.042 -2.216 12.182 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.944 -4.272 13.372 1.00 0.00 H new ATOM 1231 N PHE A 78 -1.649 -0.566 6.991 1.00 0.00 N ATOM 1232 CA PHE A 78 -0.708 0.393 7.566 1.00 0.00 C ATOM 1233 C PHE A 78 -1.125 1.835 7.281 1.00 0.00 C ATOM 1234 O PHE A 78 -2.004 2.090 6.459 1.00 0.00 O ATOM 1235 CB PHE A 78 0.702 0.133 7.030 1.00 0.00 C ATOM 1236 CG PHE A 78 0.777 0.058 5.530 1.00 0.00 C ATOM 1237 CD1 PHE A 78 0.440 1.150 4.745 1.00 0.00 C ATOM 1238 CD2 PHE A 78 1.183 -1.111 4.906 1.00 0.00 C ATOM 1239 CE1 PHE A 78 0.509 1.077 3.366 1.00 0.00 C ATOM 1240 CE2 PHE A 78 1.254 -1.189 3.528 1.00 0.00 C ATOM 1241 CZ PHE A 78 0.916 -0.093 2.757 1.00 0.00 C ATOM 0 H PHE A 78 -1.997 -0.312 6.066 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.713 0.256 8.647 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.365 0.925 7.378 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.074 -0.802 7.450 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.120 2.068 5.216 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.447 -1.971 5.504 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.245 1.935 2.766 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.573 -2.105 3.054 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.970 -0.152 1.680 1.00 0.00 H new ATOM 1251 N TYR A 79 -0.480 2.773 7.974 1.00 0.00 N ATOM 1252 CA TYR A 79 -0.771 4.197 7.813 1.00 0.00 C ATOM 1253 C TYR A 79 0.458 4.964 7.336 1.00 0.00 C ATOM 1254 O TYR A 79 1.595 4.579 7.608 1.00 0.00 O ATOM 1255 CB TYR A 79 -1.263 4.792 9.136 1.00 0.00 C ATOM 1256 CG TYR A 79 -2.665 4.374 9.519 1.00 0.00 C ATOM 1257 CD1 TYR A 79 -3.015 3.034 9.615 1.00 0.00 C ATOM 1258 CD2 TYR A 79 -3.641 5.328 9.785 1.00 0.00 C ATOM 1259 CE1 TYR A 79 -4.298 2.656 9.966 1.00 0.00 C ATOM 1260 CE2 TYR A 79 -4.925 4.957 10.139 1.00 0.00 C ATOM 1261 CZ TYR A 79 -5.248 3.620 10.228 1.00 0.00 C ATOM 1262 OH TYR A 79 -6.525 3.246 10.577 1.00 0.00 O ATOM 0 H TYR A 79 0.251 2.571 8.656 1.00 0.00 H new ATOM 0 HA TYR A 79 -1.552 4.291 7.058 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.578 4.498 9.931 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -1.225 5.879 9.069 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.274 2.275 9.412 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -3.392 6.376 9.714 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.555 1.609 10.035 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -5.671 5.711 10.345 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.070 4.046 10.729 1.00 0.00 H new ATOM 1272 N LEU A 80 0.208 6.064 6.638 1.00 0.00 N ATOM 1273 CA LEU A 80 1.267 6.921 6.127 1.00 0.00 C ATOM 1274 C LEU A 80 0.955 8.369 6.468 1.00 0.00 C ATOM 1275 O LEU A 80 0.392 9.107 5.658 1.00 0.00 O ATOM 1276 CB LEU A 80 1.418 6.758 4.612 1.00 0.00 C ATOM 1277 CG LEU A 80 1.892 5.379 4.148 1.00 0.00 C ATOM 1278 CD1 LEU A 80 0.846 4.319 4.458 1.00 0.00 C ATOM 1279 CD2 LEU A 80 2.214 5.400 2.663 1.00 0.00 C ATOM 0 H LEU A 80 -0.733 6.386 6.411 1.00 0.00 H new ATOM 0 HA LEU A 80 2.208 6.631 6.594 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.458 6.971 4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.123 7.507 4.251 1.00 0.00 H new ATOM 0 HG LEU A 80 2.802 5.126 4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.203 3.346 4.120 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.668 4.287 5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.083 4.563 3.943 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.550 4.411 2.349 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.322 5.675 2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.002 6.128 2.472 1.00 0.00 H new ATOM 1291 N GLY A 81 1.305 8.761 7.687 1.00 0.00 N ATOM 1292 CA GLY A 81 1.039 10.112 8.135 1.00 0.00 C ATOM 1293 C GLY A 81 -0.432 10.330 8.419 1.00 0.00 C ATOM 1294 O GLY A 81 -0.844 10.416 9.576 1.00 0.00 O ATOM 0 H GLY A 81 1.769 8.166 8.373 1.00 0.00 H new ATOM 0 HA2 GLY A 81 1.617 10.317 9.036 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.371 10.819 7.375 1.00 0.00 H new ATOM 1298 N GLN A 82 -1.226 10.411 7.358 1.00 0.00 N ATOM 1299 CA GLN A 82 -2.664 10.612 7.490 1.00 0.00 C ATOM 1300 C GLN A 82 -3.443 9.554 6.717 1.00 0.00 C ATOM 1301 O GLN A 82 -4.626 9.334 6.973 1.00 0.00 O ATOM 1302 CB GLN A 82 -3.064 11.995 6.984 1.00 0.00 C ATOM 1303 CG GLN A 82 -2.303 13.132 7.640 1.00 0.00 C ATOM 1304 CD GLN A 82 -0.838 13.171 7.246 1.00 0.00 C ATOM 1305 OE1 GLN A 82 0.043 13.108 8.236 1.00 0.00 O flip ATOM 1306 NE2 GLN A 82 -0.504 13.260 6.064 1.00 0.00 N flip ATOM 0 H GLN A 82 -0.898 10.340 6.395 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.907 10.527 8.549 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.904 12.037 5.907 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.131 12.139 7.154 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -2.771 14.079 7.370 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.380 13.036 8.723 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -1.216 13.306 5.335 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.485 13.288 5.814 1.00 0.00 H new ATOM 1315 N VAL A 83 -2.780 8.906 5.764 1.00 0.00 N ATOM 1316 CA VAL A 83 -3.430 7.882 4.955 1.00 0.00 C ATOM 1317 C VAL A 83 -3.333 6.522 5.630 1.00 0.00 C ATOM 1318 O VAL A 83 -2.495 6.311 6.506 1.00 0.00 O ATOM 1319 CB VAL A 83 -2.807 7.784 3.546 1.00 0.00 C ATOM 1320 CG1 VAL A 83 -3.716 7.018 2.597 1.00 0.00 C ATOM 1321 CG2 VAL A 83 -2.493 9.168 2.994 1.00 0.00 C ATOM 0 H VAL A 83 -1.800 9.070 5.534 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.476 8.174 4.857 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.871 7.232 3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.252 6.965 1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.874 6.009 2.979 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.675 7.530 2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.055 9.073 2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.411 9.752 2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.787 9.672 3.655 1.00 0.00 H new ATOM 1331 N ALA A 84 -4.190 5.602 5.216 1.00 0.00 N ATOM 1332 CA ALA A 84 -4.192 4.262 5.777 1.00 0.00 C ATOM 1333 C ALA A 84 -4.597 3.240 4.727 1.00 0.00 C ATOM 1334 O ALA A 84 -5.763 3.166 4.337 1.00 0.00 O ATOM 1335 CB ALA A 84 -5.118 4.189 6.982 1.00 0.00 C ATOM 0 H ALA A 84 -4.893 5.760 4.494 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.180 4.028 6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.107 3.178 7.389 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.779 4.891 7.744 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -6.133 4.446 6.677 1.00 0.00 H new ATOM 1341 N ILE A 85 -3.629 2.456 4.272 1.00 0.00 N ATOM 1342 CA ILE A 85 -3.890 1.436 3.270 1.00 0.00 C ATOM 1343 C ILE A 85 -4.106 0.079 3.911 1.00 0.00 C ATOM 1344 O ILE A 85 -3.323 -0.361 4.753 1.00 0.00 O ATOM 1345 CB ILE A 85 -2.758 1.358 2.220 1.00 0.00 C ATOM 1346 CG1 ILE A 85 -3.047 2.348 1.099 1.00 0.00 C ATOM 1347 CG2 ILE A 85 -2.611 -0.053 1.659 1.00 0.00 C ATOM 1348 CD1 ILE A 85 -2.014 2.339 -0.008 1.00 0.00 C ATOM 0 H ILE A 85 -2.658 2.508 4.581 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.806 1.726 2.755 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.816 1.614 2.704 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.025 2.124 0.672 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.106 3.352 1.520 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.806 -0.070 0.924 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.378 -0.744 2.469 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.544 -0.354 1.183 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.289 3.070 -0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.037 2.594 0.404 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.971 1.347 -0.457 1.00 0.00 H new ATOM 1360 N LEU A 86 -5.182 -0.573 3.501 1.00 0.00 N ATOM 1361 CA LEU A 86 -5.523 -1.884 4.030 1.00 0.00 C ATOM 1362 C LEU A 86 -5.671 -2.903 2.908 1.00 0.00 C ATOM 1363 O LEU A 86 -6.604 -2.832 2.110 1.00 0.00 O ATOM 1364 CB LEU A 86 -6.821 -1.809 4.832 1.00 0.00 C ATOM 1365 CG LEU A 86 -6.879 -0.674 5.851 1.00 0.00 C ATOM 1366 CD1 LEU A 86 -7.118 0.657 5.157 1.00 0.00 C ATOM 1367 CD2 LEU A 86 -7.956 -0.943 6.889 1.00 0.00 C ATOM 0 H LEU A 86 -5.835 -0.216 2.803 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.713 -2.204 4.685 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.654 -1.699 4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.964 -2.755 5.354 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.918 -0.622 6.363 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.156 1.453 5.900 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.306 0.853 4.457 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.063 0.620 4.616 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -7.982 -0.123 7.607 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.925 -1.025 6.396 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.735 -1.874 7.410 1.00 0.00 H new ATOM 1379 N LEU A 87 -4.751 -3.858 2.866 1.00 0.00 N ATOM 1380 CA LEU A 87 -4.777 -4.905 1.853 1.00 0.00 C ATOM 1381 C LEU A 87 -5.250 -6.210 2.471 1.00 0.00 C ATOM 1382 O LEU A 87 -4.860 -6.548 3.585 1.00 0.00 O ATOM 1383 CB LEU A 87 -3.388 -5.070 1.231 1.00 0.00 C ATOM 1384 CG LEU A 87 -3.242 -6.222 0.234 1.00 0.00 C ATOM 1385 CD1 LEU A 87 -2.021 -6.006 -0.647 1.00 0.00 C ATOM 1386 CD2 LEU A 87 -3.130 -7.551 0.966 1.00 0.00 C ATOM 0 H LEU A 87 -3.975 -3.929 3.524 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.474 -4.623 1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.123 -4.141 0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.665 -5.214 2.034 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.131 -6.246 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.930 -6.833 -1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.130 -5.071 -1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.127 -5.959 -0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.027 -8.358 0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.256 -7.535 1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.026 -7.713 1.565 1.00 0.00 H new ATOM 1398 N PHE A 88 -6.098 -6.938 1.757 1.00 0.00 N ATOM 1399 CA PHE A 88 -6.612 -8.198 2.272 1.00 0.00 C ATOM 1400 C PHE A 88 -7.511 -8.911 1.261 1.00 0.00 C ATOM 1401 O PHE A 88 -8.260 -8.280 0.515 1.00 0.00 O ATOM 1402 CB PHE A 88 -7.380 -7.962 3.579 1.00 0.00 C ATOM 1403 CG PHE A 88 -8.524 -6.977 3.490 1.00 0.00 C ATOM 1404 CD1 PHE A 88 -8.809 -6.285 2.319 1.00 0.00 C ATOM 1405 CD2 PHE A 88 -9.318 -6.744 4.601 1.00 0.00 C ATOM 1406 CE1 PHE A 88 -9.859 -5.387 2.264 1.00 0.00 C ATOM 1407 CE2 PHE A 88 -10.369 -5.848 4.550 1.00 0.00 C ATOM 1408 CZ PHE A 88 -10.640 -5.169 3.380 1.00 0.00 C ATOM 0 H PHE A 88 -6.441 -6.682 0.831 1.00 0.00 H new ATOM 0 HA PHE A 88 -5.755 -8.844 2.462 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.772 -8.917 3.928 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.678 -7.610 4.335 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.203 -6.451 1.441 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.113 -7.271 5.521 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.068 -4.856 1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.978 -5.679 5.426 1.00 0.00 H new ATOM 0 HZ PHE A 88 -11.461 -4.469 3.338 1.00 0.00 H new ATOM 1418 N LYS A 89 -7.443 -10.238 1.266 1.00 0.00 N ATOM 1419 CA LYS A 89 -8.258 -11.058 0.378 1.00 0.00 C ATOM 1420 C LYS A 89 -9.179 -11.944 1.200 1.00 0.00 C ATOM 1421 O LYS A 89 -8.742 -12.589 2.151 1.00 0.00 O ATOM 1422 CB LYS A 89 -7.383 -11.926 -0.526 1.00 0.00 C ATOM 1423 CG LYS A 89 -8.188 -12.730 -1.535 1.00 0.00 C ATOM 1424 CD LYS A 89 -7.764 -14.186 -1.556 1.00 0.00 C ATOM 1425 CE LYS A 89 -6.384 -14.357 -2.174 1.00 0.00 C ATOM 1426 NZ LYS A 89 -6.370 -13.980 -3.617 1.00 0.00 N ATOM 0 H LYS A 89 -6.827 -10.771 1.880 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.850 -10.394 -0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.675 -11.290 -1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.797 -12.608 0.090 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.248 -12.663 -1.291 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.061 -12.299 -2.528 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.760 -14.579 -0.539 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.491 -14.770 -2.120 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.665 -13.743 -1.632 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.064 -15.393 -2.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.470 -13.511 -3.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.472 -14.835 -4.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.158 -13.331 -3.814 1.00 0.00 H new ATOM 1440 N SER A 90 -10.450 -11.983 0.824 1.00 0.00 N ATOM 1441 CA SER A 90 -11.421 -12.806 1.532 1.00 0.00 C ATOM 1442 C SER A 90 -11.506 -14.184 0.894 1.00 0.00 C ATOM 1443 O SER A 90 -12.496 -14.900 1.048 1.00 0.00 O ATOM 1444 CB SER A 90 -12.798 -12.137 1.531 1.00 0.00 C ATOM 1445 OG SER A 90 -12.750 -10.873 2.168 1.00 0.00 O ATOM 0 H SER A 90 -10.831 -11.458 0.037 1.00 0.00 H new ATOM 0 HA SER A 90 -11.092 -12.915 2.565 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.147 -12.018 0.505 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.518 -12.778 2.041 1.00 0.00 H new ATOM 0 HG SER A 90 -13.528 -10.341 1.899 1.00 0.00 H new ATOM 1451 N GLY A 91 -10.450 -14.545 0.177 1.00 0.00 N ATOM 1452 CA GLY A 91 -10.405 -15.837 -0.484 1.00 0.00 C ATOM 1453 C GLY A 91 -10.977 -15.792 -1.888 1.00 0.00 C ATOM 1454 O GLY A 91 -11.216 -14.675 -2.395 1.00 0.00 O ATOM 1455 OXT GLY A 91 -11.185 -16.872 -2.478 1.00 0.00 O ATOM 0 H GLY A 91 -9.622 -13.966 0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -9.372 -16.184 -0.527 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.961 -16.564 0.108 1.00 0.00 H new