USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 639 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 46 HIS : no HD1:sc= -0.615 K(o=-0.76,f=0.42) USER MOD Set 1.2: A 48 CYS SG : rot 2:sc= -0.143 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot -58:sc= 1.08 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -6.05! C(o=-6.1!,f=-2.2!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.556 USER MOD Single : A 23 LYS NZ :NH3+ -140:sc= -3.14! (180deg=-5.81!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -13:sc= 0.991 USER MOD Single : A 44 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.0608 K(o=-0.061,f=-2.7!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0214 USER MOD Single : A 55 MET CE :methyl -165:sc= 0 (180deg=-0.284) USER MOD Single : A 56 SER OG : rot -14:sc= 0.92 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 141:sc= -3.27! (180deg=-6.14!) USER MOD Single : A 62 CYS SG : rot 120:sc= -0.705 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00253 USER MOD Single : A 79 LYS NZ :NH3+ -165:sc= -0.0506 (180deg=-0.297) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -166:sc= -0.0314 (180deg=-0.275) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 29:sc= -1.92 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 166:sc= -0.037 (180deg=-0.271) USER MOD Single : A 94 LYS NZ :NH3+ 141:sc= -3.18! (180deg=-5.83!) USER MOD ----------------------------------------------------------------- ATOM 62 N GLN A 6 -16.539 6.273 -1.609 1.00 0.00 N ATOM 63 CA GLN A 6 -15.305 7.046 -1.696 1.00 0.00 C ATOM 64 C GLN A 6 -14.085 6.130 -1.761 1.00 0.00 C ATOM 65 O GLN A 6 -14.021 5.118 -1.061 1.00 0.00 O ATOM 66 CB GLN A 6 -15.178 7.996 -0.502 1.00 0.00 C ATOM 67 CG GLN A 6 -16.285 9.035 -0.432 1.00 0.00 C ATOM 68 CD GLN A 6 -16.099 10.007 0.717 1.00 0.00 C ATOM 69 OE1 GLN A 6 -15.105 10.731 0.779 1.00 0.00 O ATOM 70 NE2 GLN A 6 -17.055 10.026 1.639 1.00 0.00 N ATOM 0 HA GLN A 6 -15.346 7.633 -2.614 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.180 7.412 0.418 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.216 8.505 -0.554 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.318 9.589 -1.370 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -17.245 8.531 -0.325 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -17.862 9.409 1.549 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -16.982 10.657 2.437 1.00 0.00 H new ATOM 79 N PRO A 7 -13.096 6.475 -2.605 1.00 0.00 N ATOM 80 CA PRO A 7 -11.871 5.682 -2.759 1.00 0.00 C ATOM 81 C PRO A 7 -11.081 5.585 -1.456 1.00 0.00 C ATOM 82 O PRO A 7 -11.040 6.537 -0.677 1.00 0.00 O ATOM 83 CB PRO A 7 -11.066 6.447 -3.814 1.00 0.00 C ATOM 84 CG PRO A 7 -11.638 7.823 -3.820 1.00 0.00 C ATOM 85 CD PRO A 7 -13.090 7.666 -3.471 1.00 0.00 C ATOM 0 HA PRO A 7 -12.090 4.653 -3.043 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.005 6.463 -3.565 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.156 5.979 -4.794 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.129 8.461 -3.097 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.519 8.291 -4.797 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.478 8.543 -2.953 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -13.705 7.522 -4.359 1.00 0.00 H new ATOM 93 N PRO A 8 -10.440 4.429 -1.200 1.00 0.00 N ATOM 94 CA PRO A 8 -9.651 4.218 0.017 1.00 0.00 C ATOM 95 C PRO A 8 -8.594 5.299 0.210 1.00 0.00 C ATOM 96 O PRO A 8 -7.672 5.431 -0.595 1.00 0.00 O ATOM 97 CB PRO A 8 -8.983 2.852 -0.204 1.00 0.00 C ATOM 98 CG PRO A 8 -9.171 2.542 -1.652 1.00 0.00 C ATOM 99 CD PRO A 8 -10.430 3.243 -2.068 1.00 0.00 C ATOM 0 HA PRO A 8 -10.273 4.256 0.911 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.925 2.887 0.055 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.440 2.086 0.423 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.320 2.889 -2.238 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.252 1.467 -1.813 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.413 3.514 -3.124 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.311 2.620 -1.913 1.00 0.00 H new ATOM 107 N LEU A 9 -8.738 6.070 1.282 1.00 0.00 N ATOM 108 CA LEU A 9 -7.801 7.145 1.585 1.00 0.00 C ATOM 109 C LEU A 9 -6.661 6.650 2.470 1.00 0.00 C ATOM 110 O LEU A 9 -6.805 6.562 3.689 1.00 0.00 O ATOM 111 CB LEU A 9 -8.528 8.299 2.281 1.00 0.00 C ATOM 112 CG LEU A 9 -7.647 9.492 2.655 1.00 0.00 C ATOM 113 CD1 LEU A 9 -7.111 10.175 1.406 1.00 0.00 C ATOM 114 CD2 LEU A 9 -8.425 10.478 3.513 1.00 0.00 C ATOM 0 H LEU A 9 -9.496 5.970 1.957 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.379 7.496 0.643 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.328 8.649 1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.999 7.917 3.187 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.799 9.126 3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.487 11.021 1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.517 9.465 0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.944 10.529 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.784 11.321 3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.292 10.837 2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.757 9.983 4.425 1.00 0.00 H new ATOM 126 N VAL A 10 -5.526 6.343 1.852 1.00 0.00 N ATOM 127 CA VAL A 10 -4.363 5.877 2.595 1.00 0.00 C ATOM 128 C VAL A 10 -3.630 7.058 3.225 1.00 0.00 C ATOM 129 O VAL A 10 -3.427 8.086 2.579 1.00 0.00 O ATOM 130 CB VAL A 10 -3.387 5.094 1.694 1.00 0.00 C ATOM 131 CG1 VAL A 10 -2.202 4.584 2.501 1.00 0.00 C ATOM 132 CG2 VAL A 10 -4.102 3.943 1.001 1.00 0.00 C ATOM 0 H VAL A 10 -5.387 6.408 0.844 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.723 5.206 3.375 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.011 5.772 0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.526 4.034 1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.673 5.428 2.943 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.558 3.924 3.292 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.396 3.403 0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.511 3.265 1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.912 4.335 0.386 1.00 0.00 H new ATOM 142 N THR A 11 -3.243 6.912 4.487 1.00 0.00 N ATOM 143 CA THR A 11 -2.542 7.977 5.195 1.00 0.00 C ATOM 144 C THR A 11 -1.945 7.471 6.506 1.00 0.00 C ATOM 145 O THR A 11 -2.161 8.051 7.571 1.00 0.00 O ATOM 146 CB THR A 11 -3.475 9.167 5.479 1.00 0.00 C ATOM 147 OG1 THR A 11 -2.789 10.163 6.251 1.00 0.00 O ATOM 148 CG2 THR A 11 -4.715 8.706 6.218 1.00 0.00 C ATOM 0 H THR A 11 -3.402 6.070 5.040 1.00 0.00 H new ATOM 0 HA THR A 11 -1.733 8.312 4.546 1.00 0.00 H new ATOM 0 HB THR A 11 -3.777 9.601 4.526 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.473 9.767 7.090 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.363 9.561 6.410 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.249 7.975 5.611 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.426 8.250 7.165 1.00 0.00 H new ATOM 156 N GLY A 12 -1.185 6.385 6.418 1.00 0.00 N ATOM 157 CA GLY A 12 -0.562 5.818 7.597 1.00 0.00 C ATOM 158 C GLY A 12 0.514 4.810 7.255 1.00 0.00 C ATOM 159 O GLY A 12 0.346 3.986 6.355 1.00 0.00 O ATOM 0 H GLY A 12 -0.990 5.887 5.549 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.128 6.619 8.196 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.324 5.338 8.211 1.00 0.00 H new ATOM 163 N ILE A 13 1.625 4.882 7.977 1.00 0.00 N ATOM 164 CA ILE A 13 2.746 3.979 7.757 1.00 0.00 C ATOM 165 C ILE A 13 3.718 4.032 8.933 1.00 0.00 C ATOM 166 O ILE A 13 4.154 5.110 9.341 1.00 0.00 O ATOM 167 CB ILE A 13 3.494 4.329 6.449 1.00 0.00 C ATOM 168 CG1 ILE A 13 4.607 3.315 6.175 1.00 0.00 C ATOM 169 CG2 ILE A 13 4.057 5.744 6.514 1.00 0.00 C ATOM 170 CD1 ILE A 13 5.327 3.548 4.864 1.00 0.00 C ATOM 0 H ILE A 13 1.773 5.561 8.724 1.00 0.00 H new ATOM 0 HA ILE A 13 2.344 2.969 7.670 1.00 0.00 H new ATOM 0 HB ILE A 13 2.782 4.283 5.625 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.330 3.353 6.989 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.181 2.312 6.173 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.579 5.971 5.585 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.242 6.454 6.655 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.753 5.821 7.349 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.102 2.793 4.735 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.615 3.481 4.041 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.783 4.538 4.870 1.00 0.00 H new ATOM 182 N SER A 14 4.053 2.868 9.484 1.00 0.00 N ATOM 183 CA SER A 14 4.971 2.810 10.613 1.00 0.00 C ATOM 184 C SER A 14 6.374 3.256 10.191 1.00 0.00 C ATOM 185 O SER A 14 6.913 4.211 10.752 1.00 0.00 O ATOM 186 CB SER A 14 5.006 1.402 11.219 1.00 0.00 C ATOM 187 OG SER A 14 5.916 1.334 12.303 1.00 0.00 O ATOM 0 H SER A 14 3.706 1.962 9.170 1.00 0.00 H new ATOM 0 HA SER A 14 4.610 3.496 11.379 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.008 1.125 11.560 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.293 0.681 10.454 1.00 0.00 H new ATOM 0 HG SER A 14 5.918 0.426 12.672 1.00 0.00 H new ATOM 193 N PRO A 15 6.989 2.590 9.189 1.00 0.00 N ATOM 194 CA PRO A 15 8.314 2.953 8.712 1.00 0.00 C ATOM 195 C PRO A 15 8.257 3.949 7.559 1.00 0.00 C ATOM 196 O PRO A 15 7.835 3.606 6.457 1.00 0.00 O ATOM 197 CB PRO A 15 8.866 1.614 8.239 1.00 0.00 C ATOM 198 CG PRO A 15 7.671 0.863 7.739 1.00 0.00 C ATOM 199 CD PRO A 15 6.455 1.441 8.431 1.00 0.00 C ATOM 0 HA PRO A 15 8.919 3.444 9.474 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.607 1.748 7.451 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.358 1.079 9.052 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.580 0.961 6.657 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.767 -0.201 7.956 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.698 1.754 7.712 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.986 0.711 9.090 1.00 0.00 H new ATOM 207 N ASN A 16 8.682 5.181 7.817 1.00 0.00 N ATOM 208 CA ASN A 16 8.669 6.215 6.788 1.00 0.00 C ATOM 209 C ASN A 16 9.969 6.204 5.987 1.00 0.00 C ATOM 210 O ASN A 16 10.375 7.226 5.432 1.00 0.00 O ATOM 211 CB ASN A 16 8.449 7.593 7.419 1.00 0.00 C ATOM 212 CG ASN A 16 7.202 7.662 8.286 1.00 0.00 C ATOM 213 OD1 ASN A 16 6.917 8.694 8.893 1.00 0.00 O ATOM 214 ND2 ASN A 16 6.445 6.570 8.349 1.00 0.00 N ATOM 0 H ASN A 16 9.037 5.487 8.723 1.00 0.00 H new ATOM 0 HA ASN A 16 7.845 6.004 6.106 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.319 7.852 8.023 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.376 8.340 6.629 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.596 6.570 8.914 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.713 5.733 7.832 1.00 0.00 H new ATOM 221 N GLU A 17 10.608 5.036 5.924 1.00 0.00 N ATOM 222 CA GLU A 17 11.859 4.872 5.186 1.00 0.00 C ATOM 223 C GLU A 17 12.360 3.432 5.294 1.00 0.00 C ATOM 224 O GLU A 17 12.440 2.872 6.387 1.00 0.00 O ATOM 225 CB GLU A 17 12.926 5.840 5.708 1.00 0.00 C ATOM 226 CG GLU A 17 13.229 5.681 7.190 1.00 0.00 C ATOM 227 CD GLU A 17 14.275 6.664 7.680 1.00 0.00 C ATOM 228 OE1 GLU A 17 14.760 7.475 6.863 1.00 0.00 O ATOM 229 OE2 GLU A 17 14.610 6.623 8.883 1.00 0.00 O ATOM 0 H GLU A 17 10.277 4.185 6.378 1.00 0.00 H new ATOM 0 HA GLU A 17 11.666 5.099 4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.845 5.692 5.141 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.597 6.863 5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.311 5.818 7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.574 4.665 7.380 1.00 0.00 H new ATOM 236 N GLY A 18 12.691 2.836 4.151 1.00 0.00 N ATOM 237 CA GLY A 18 13.173 1.465 4.140 1.00 0.00 C ATOM 238 C GLY A 18 13.242 0.886 2.740 1.00 0.00 C ATOM 239 O GLY A 18 12.382 1.166 1.907 1.00 0.00 O ATOM 0 H GLY A 18 12.634 3.277 3.233 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.163 1.427 4.595 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.517 0.847 4.753 1.00 0.00 H new ATOM 243 N ILE A 19 14.266 0.074 2.484 1.00 0.00 N ATOM 244 CA ILE A 19 14.448 -0.551 1.175 1.00 0.00 C ATOM 245 C ILE A 19 13.182 -1.296 0.735 1.00 0.00 C ATOM 246 O ILE A 19 12.313 -1.587 1.556 1.00 0.00 O ATOM 247 CB ILE A 19 15.649 -1.519 1.179 1.00 0.00 C ATOM 248 CG1 ILE A 19 15.451 -2.621 2.224 1.00 0.00 C ATOM 249 CG2 ILE A 19 16.939 -0.751 1.443 1.00 0.00 C ATOM 250 CD1 ILE A 19 16.557 -3.655 2.232 1.00 0.00 C ATOM 0 H ILE A 19 14.984 -0.167 3.167 1.00 0.00 H new ATOM 0 HA ILE A 19 14.648 0.249 0.462 1.00 0.00 H new ATOM 0 HB ILE A 19 15.720 -1.992 0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.384 -2.165 3.212 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.500 -3.120 2.038 1.00 0.00 H new ATOM 0 HG21 ILE A 19 17.781 -1.443 1.444 1.00 0.00 H new ATOM 0 HG22 ILE A 19 17.084 -0.004 0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 19 16.876 -0.256 2.412 1.00 0.00 H new ATOM 0 HD11 ILE A 19 16.350 -4.404 2.997 1.00 0.00 H new ATOM 0 HD12 ILE A 19 16.611 -4.138 1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.508 -3.169 2.449 1.00 0.00 H new ATOM 262 N PRO A 20 13.044 -1.591 -0.575 1.00 0.00 N ATOM 263 CA PRO A 20 11.863 -2.280 -1.116 1.00 0.00 C ATOM 264 C PRO A 20 11.458 -3.522 -0.323 1.00 0.00 C ATOM 265 O PRO A 20 10.275 -3.749 -0.074 1.00 0.00 O ATOM 266 CB PRO A 20 12.301 -2.671 -2.527 1.00 0.00 C ATOM 267 CG PRO A 20 13.300 -1.635 -2.908 1.00 0.00 C ATOM 268 CD PRO A 20 14.015 -1.255 -1.637 1.00 0.00 C ATOM 0 HA PRO A 20 10.982 -1.639 -1.077 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.738 -3.669 -2.544 1.00 0.00 H new ATOM 0 HB3 PRO A 20 11.457 -2.681 -3.216 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.000 -2.023 -3.648 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.812 -0.769 -3.354 1.00 0.00 H new ATOM 0 HD2 PRO A 20 14.945 -1.811 -1.519 1.00 0.00 H new ATOM 0 HD3 PRO A 20 14.272 -0.196 -1.624 1.00 0.00 H new ATOM 276 N TRP A 21 12.432 -4.337 0.061 1.00 0.00 N ATOM 277 CA TRP A 21 12.139 -5.555 0.807 1.00 0.00 C ATOM 278 C TRP A 21 11.630 -5.258 2.216 1.00 0.00 C ATOM 279 O TRP A 21 10.989 -6.105 2.841 1.00 0.00 O ATOM 280 CB TRP A 21 13.365 -6.467 0.863 1.00 0.00 C ATOM 281 CG TRP A 21 13.740 -7.020 -0.476 1.00 0.00 C ATOM 282 CD1 TRP A 21 14.763 -6.606 -1.280 1.00 0.00 C ATOM 283 CD2 TRP A 21 13.075 -8.074 -1.181 1.00 0.00 C ATOM 284 NE1 TRP A 21 14.785 -7.353 -2.435 1.00 0.00 N ATOM 285 CE2 TRP A 21 13.757 -8.258 -2.398 1.00 0.00 C ATOM 286 CE3 TRP A 21 11.972 -8.885 -0.896 1.00 0.00 C ATOM 287 CZ2 TRP A 21 13.370 -9.219 -3.329 1.00 0.00 C ATOM 288 CZ3 TRP A 21 11.588 -9.837 -1.822 1.00 0.00 C ATOM 289 CH2 TRP A 21 12.286 -9.997 -3.026 1.00 0.00 C ATOM 0 H TRP A 21 13.422 -4.180 -0.129 1.00 0.00 H new ATOM 0 HA TRP A 21 11.341 -6.072 0.274 1.00 0.00 H new ATOM 0 HB2 TRP A 21 14.209 -5.909 1.269 1.00 0.00 H new ATOM 0 HB3 TRP A 21 13.168 -7.291 1.549 1.00 0.00 H new ATOM 0 HD1 TRP A 21 15.453 -5.810 -1.044 1.00 0.00 H new ATOM 0 HE1 TRP A 21 15.457 -7.250 -3.195 1.00 0.00 H new ATOM 0 HE3 TRP A 21 11.430 -8.770 0.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 13.907 -9.346 -4.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.736 -10.467 -1.614 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.962 -10.750 -3.729 1.00 0.00 H new ATOM 300 N THR A 22 11.913 -4.060 2.717 1.00 0.00 N ATOM 301 CA THR A 22 11.473 -3.674 4.055 1.00 0.00 C ATOM 302 C THR A 22 9.952 -3.733 4.169 1.00 0.00 C ATOM 303 O THR A 22 9.235 -3.174 3.339 1.00 0.00 O ATOM 304 CB THR A 22 11.955 -2.258 4.426 1.00 0.00 C ATOM 305 OG1 THR A 22 13.385 -2.204 4.398 1.00 0.00 O ATOM 306 CG2 THR A 22 11.458 -1.859 5.809 1.00 0.00 C ATOM 0 H THR A 22 12.442 -3.343 2.221 1.00 0.00 H new ATOM 0 HA THR A 22 11.916 -4.387 4.751 1.00 0.00 H new ATOM 0 HB THR A 22 11.549 -1.559 3.695 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.683 -1.300 4.633 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.812 -0.856 6.047 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.368 -1.872 5.822 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.838 -2.563 6.549 1.00 0.00 H new ATOM 314 N LYS A 23 9.470 -4.415 5.203 1.00 0.00 N ATOM 315 CA LYS A 23 8.035 -4.551 5.433 1.00 0.00 C ATOM 316 C LYS A 23 7.428 -3.231 5.899 1.00 0.00 C ATOM 317 O LYS A 23 8.052 -2.482 6.650 1.00 0.00 O ATOM 318 CB LYS A 23 7.767 -5.644 6.470 1.00 0.00 C ATOM 319 CG LYS A 23 6.290 -5.899 6.719 1.00 0.00 C ATOM 320 CD LYS A 23 6.066 -7.000 7.748 1.00 0.00 C ATOM 321 CE LYS A 23 6.460 -6.563 9.154 1.00 0.00 C ATOM 322 NZ LYS A 23 7.928 -6.355 9.293 1.00 0.00 N ATOM 0 H LYS A 23 10.053 -4.883 5.897 1.00 0.00 H new ATOM 0 HA LYS A 23 7.566 -4.830 4.489 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.236 -6.570 6.138 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.242 -5.365 7.410 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.816 -4.980 7.063 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.807 -6.175 5.782 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.016 -7.293 7.741 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.644 -7.880 7.467 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.939 -5.638 9.403 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.133 -7.316 9.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.245 -6.720 10.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.424 -6.860 8.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.142 -5.339 9.231 1.00 0.00 H new ATOM 336 N VAL A 24 6.207 -2.956 5.450 1.00 0.00 N ATOM 337 CA VAL A 24 5.513 -1.728 5.824 1.00 0.00 C ATOM 338 C VAL A 24 4.031 -1.993 6.078 1.00 0.00 C ATOM 339 O VAL A 24 3.354 -2.634 5.274 1.00 0.00 O ATOM 340 CB VAL A 24 5.654 -0.645 4.736 1.00 0.00 C ATOM 341 CG1 VAL A 24 7.115 -0.272 4.534 1.00 0.00 C ATOM 342 CG2 VAL A 24 5.034 -1.114 3.429 1.00 0.00 C ATOM 0 H VAL A 24 5.678 -3.566 4.827 1.00 0.00 H new ATOM 0 HA VAL A 24 5.978 -1.368 6.741 1.00 0.00 H new ATOM 0 HB VAL A 24 5.118 0.244 5.069 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.192 0.494 3.762 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.525 0.112 5.468 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.677 -1.154 4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.144 -0.335 2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.538 -2.020 3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.975 -1.323 3.583 1.00 0.00 H new ATOM 352 N THR A 25 3.536 -1.499 7.208 1.00 0.00 N ATOM 353 CA THR A 25 2.138 -1.685 7.576 1.00 0.00 C ATOM 354 C THR A 25 1.266 -0.547 7.049 1.00 0.00 C ATOM 355 O THR A 25 1.029 0.437 7.749 1.00 0.00 O ATOM 356 CB THR A 25 1.970 -1.783 9.105 1.00 0.00 C ATOM 357 OG1 THR A 25 2.787 -2.841 9.621 1.00 0.00 O ATOM 358 CG2 THR A 25 0.518 -2.036 9.479 1.00 0.00 C ATOM 0 H THR A 25 4.083 -0.967 7.885 1.00 0.00 H new ATOM 0 HA THR A 25 1.815 -2.621 7.120 1.00 0.00 H new ATOM 0 HB THR A 25 2.281 -0.834 9.541 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.676 -2.896 10.593 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.428 -2.101 10.563 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.100 -1.217 9.112 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.185 -2.972 9.031 1.00 0.00 H new ATOM 366 N ILE A 26 0.787 -0.689 5.816 1.00 0.00 N ATOM 367 CA ILE A 26 -0.065 0.329 5.210 1.00 0.00 C ATOM 368 C ILE A 26 -1.340 0.515 6.025 1.00 0.00 C ATOM 369 O ILE A 26 -1.949 -0.459 6.469 1.00 0.00 O ATOM 370 CB ILE A 26 -0.446 -0.031 3.759 1.00 0.00 C ATOM 371 CG1 ILE A 26 0.809 -0.151 2.891 1.00 0.00 C ATOM 372 CG2 ILE A 26 -1.397 1.012 3.186 1.00 0.00 C ATOM 373 CD1 ILE A 26 0.517 -0.542 1.457 1.00 0.00 C ATOM 0 H ILE A 26 0.973 -1.495 5.220 1.00 0.00 H new ATOM 0 HA ILE A 26 0.508 1.256 5.199 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.954 -0.995 3.762 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.339 0.802 2.899 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.477 -0.891 3.332 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.657 0.744 2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.302 1.051 3.792 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.913 1.989 3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.452 -0.608 0.900 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.014 -1.509 1.439 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.126 0.210 0.999 1.00 0.00 H new ATOM 385 N ARG A 27 -1.740 1.765 6.219 1.00 0.00 N ATOM 386 CA ARG A 27 -2.943 2.066 6.983 1.00 0.00 C ATOM 387 C ARG A 27 -3.623 3.327 6.460 1.00 0.00 C ATOM 388 O ARG A 27 -2.961 4.300 6.098 1.00 0.00 O ATOM 389 CB ARG A 27 -2.606 2.217 8.467 1.00 0.00 C ATOM 390 CG ARG A 27 -3.816 2.502 9.338 1.00 0.00 C ATOM 391 CD ARG A 27 -3.480 2.390 10.815 1.00 0.00 C ATOM 392 NE ARG A 27 -4.643 2.655 11.658 1.00 0.00 N ATOM 393 CZ ARG A 27 -4.615 2.614 12.986 1.00 0.00 C ATOM 394 NH1 ARG A 27 -3.487 2.327 13.621 1.00 0.00 N ATOM 395 NH2 ARG A 27 -5.717 2.863 13.679 1.00 0.00 N ATOM 0 H ARG A 27 -1.251 2.584 5.859 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.638 1.234 6.864 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.124 1.304 8.816 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.884 3.025 8.587 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.191 3.503 9.124 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.615 1.803 9.092 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.098 1.391 11.026 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.685 3.094 11.061 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.526 2.884 11.202 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.637 2.137 13.090 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.469 2.296 14.640 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.586 3.086 13.193 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.696 2.832 14.698 1.00 0.00 H new ATOM 409 N GLY A 28 -4.950 3.295 6.419 1.00 0.00 N ATOM 410 CA GLY A 28 -5.710 4.432 5.935 1.00 0.00 C ATOM 411 C GLY A 28 -7.186 4.317 6.259 1.00 0.00 C ATOM 412 O GLY A 28 -7.557 4.097 7.412 1.00 0.00 O ATOM 0 H GLY A 28 -5.515 2.498 6.714 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.313 5.346 6.377 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.583 4.518 4.856 1.00 0.00 H new ATOM 416 N GLU A 29 -8.030 4.465 5.240 1.00 0.00 N ATOM 417 CA GLU A 29 -9.477 4.376 5.422 1.00 0.00 C ATOM 418 C GLU A 29 -10.162 3.859 4.159 1.00 0.00 C ATOM 419 O GLU A 29 -9.836 4.275 3.047 1.00 0.00 O ATOM 420 CB GLU A 29 -10.056 5.745 5.797 1.00 0.00 C ATOM 421 CG GLU A 29 -9.586 6.272 7.145 1.00 0.00 C ATOM 422 CD GLU A 29 -10.061 5.424 8.311 1.00 0.00 C ATOM 423 OE1 GLU A 29 -10.806 4.449 8.076 1.00 0.00 O ATOM 424 OE2 GLU A 29 -9.692 5.739 9.461 1.00 0.00 O ATOM 0 H GLU A 29 -7.737 4.647 4.280 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.665 3.671 6.232 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.787 6.465 5.024 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.144 5.677 5.805 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.497 6.314 7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.945 7.293 7.275 1.00 0.00 H new ATOM 431 N ASN A 30 -11.122 2.957 4.348 1.00 0.00 N ATOM 432 CA ASN A 30 -11.885 2.374 3.244 1.00 0.00 C ATOM 433 C ASN A 30 -11.013 1.532 2.310 1.00 0.00 C ATOM 434 O ASN A 30 -11.284 1.452 1.112 1.00 0.00 O ATOM 435 CB ASN A 30 -12.584 3.472 2.438 1.00 0.00 C ATOM 436 CG ASN A 30 -13.505 4.324 3.290 1.00 0.00 C ATOM 437 OD1 ASN A 30 -14.456 3.822 3.890 1.00 0.00 O ATOM 438 ND2 ASN A 30 -13.226 5.621 3.344 1.00 0.00 N ATOM 0 H ASN A 30 -11.393 2.609 5.268 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.627 1.713 3.691 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.833 4.110 1.972 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.159 3.016 1.632 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.810 6.246 3.899 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.427 5.993 2.830 1.00 0.00 H new ATOM 445 N LEU A 31 -9.986 0.886 2.857 1.00 0.00 N ATOM 446 CA LEU A 31 -9.112 0.035 2.048 1.00 0.00 C ATOM 447 C LEU A 31 -9.722 -1.354 1.878 1.00 0.00 C ATOM 448 O LEU A 31 -9.056 -2.369 2.090 1.00 0.00 O ATOM 449 CB LEU A 31 -7.711 -0.073 2.664 1.00 0.00 C ATOM 450 CG LEU A 31 -6.815 1.156 2.470 1.00 0.00 C ATOM 451 CD1 LEU A 31 -7.356 2.345 3.245 1.00 0.00 C ATOM 452 CD2 LEU A 31 -5.385 0.848 2.889 1.00 0.00 C ATOM 0 H LEU A 31 -9.739 0.933 3.845 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.015 0.499 1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.815 -0.262 3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.209 -0.940 2.235 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.814 1.413 1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.705 3.206 3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.360 2.583 2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.393 2.101 4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.765 1.733 2.744 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.368 0.561 3.940 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.997 0.029 2.283 1.00 0.00 H new ATOM 464 N GLY A 32 -10.996 -1.388 1.497 1.00 0.00 N ATOM 465 CA GLY A 32 -11.690 -2.649 1.305 1.00 0.00 C ATOM 466 C GLY A 32 -12.025 -3.335 2.615 1.00 0.00 C ATOM 467 O GLY A 32 -11.137 -3.628 3.415 1.00 0.00 O ATOM 0 H GLY A 32 -11.563 -0.559 1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.609 -2.472 0.746 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.071 -3.312 0.700 1.00 0.00 H new ATOM 471 N THR A 33 -13.312 -3.591 2.830 1.00 0.00 N ATOM 472 CA THR A 33 -13.772 -4.247 4.049 1.00 0.00 C ATOM 473 C THR A 33 -13.787 -5.765 3.885 1.00 0.00 C ATOM 474 O THR A 33 -14.717 -6.437 4.332 1.00 0.00 O ATOM 475 CB THR A 33 -15.183 -3.772 4.443 1.00 0.00 C ATOM 476 OG1 THR A 33 -16.117 -4.092 3.404 1.00 0.00 O ATOM 477 CG2 THR A 33 -15.198 -2.272 4.699 1.00 0.00 C ATOM 0 H THR A 33 -14.056 -3.353 2.174 1.00 0.00 H new ATOM 0 HA THR A 33 -13.071 -3.976 4.838 1.00 0.00 H new ATOM 0 HB THR A 33 -15.471 -4.285 5.361 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.012 -3.788 3.664 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.205 -1.960 4.976 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.509 -2.034 5.510 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.891 -1.746 3.795 1.00 0.00 H new ATOM 485 N GLY A 34 -12.757 -6.299 3.239 1.00 0.00 N ATOM 486 CA GLY A 34 -12.682 -7.733 3.030 1.00 0.00 C ATOM 487 C GLY A 34 -11.521 -8.136 2.139 1.00 0.00 C ATOM 488 O GLY A 34 -11.161 -7.400 1.220 1.00 0.00 O ATOM 0 H GLY A 34 -11.975 -5.767 2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.585 -8.232 3.994 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.614 -8.080 2.584 1.00 0.00 H new ATOM 492 N PRO A 35 -10.911 -9.312 2.384 1.00 0.00 N ATOM 493 CA PRO A 35 -9.784 -9.798 1.581 1.00 0.00 C ATOM 494 C PRO A 35 -10.122 -9.857 0.097 1.00 0.00 C ATOM 495 O PRO A 35 -9.318 -9.460 -0.749 1.00 0.00 O ATOM 496 CB PRO A 35 -9.529 -11.206 2.130 1.00 0.00 C ATOM 497 CG PRO A 35 -10.090 -11.183 3.509 1.00 0.00 C ATOM 498 CD PRO A 35 -11.274 -10.259 3.455 1.00 0.00 C ATOM 0 HA PRO A 35 -8.918 -9.140 1.653 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.017 -11.964 1.517 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.465 -11.440 2.140 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -10.388 -12.182 3.826 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.350 -10.828 4.226 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -12.194 -10.796 3.224 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.432 -9.751 4.406 1.00 0.00 H new ATOM 506 N THR A 36 -11.318 -10.349 -0.214 1.00 0.00 N ATOM 507 CA THR A 36 -11.766 -10.452 -1.598 1.00 0.00 C ATOM 508 C THR A 36 -11.776 -9.083 -2.266 1.00 0.00 C ATOM 509 O THR A 36 -11.389 -8.941 -3.426 1.00 0.00 O ATOM 510 CB THR A 36 -13.177 -11.063 -1.692 1.00 0.00 C ATOM 511 OG1 THR A 36 -14.109 -10.256 -0.963 1.00 0.00 O ATOM 512 CG2 THR A 36 -13.191 -12.483 -1.147 1.00 0.00 C ATOM 0 H THR A 36 -11.993 -10.682 0.474 1.00 0.00 H new ATOM 0 HA THR A 36 -11.062 -11.107 -2.112 1.00 0.00 H new ATOM 0 HB THR A 36 -13.467 -11.093 -2.742 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.004 -10.650 -1.029 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.198 -12.892 -1.224 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.503 -13.101 -1.724 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.882 -12.475 -0.102 1.00 0.00 H new ATOM 520 N ASP A 37 -12.222 -8.076 -1.519 1.00 0.00 N ATOM 521 CA ASP A 37 -12.285 -6.710 -2.026 1.00 0.00 C ATOM 522 C ASP A 37 -10.906 -6.238 -2.474 1.00 0.00 C ATOM 523 O ASP A 37 -10.785 -5.446 -3.409 1.00 0.00 O ATOM 524 CB ASP A 37 -12.841 -5.771 -0.954 1.00 0.00 C ATOM 525 CG ASP A 37 -14.239 -6.163 -0.517 1.00 0.00 C ATOM 526 OD1 ASP A 37 -15.147 -6.176 -1.373 1.00 0.00 O ATOM 527 OD2 ASP A 37 -14.425 -6.458 0.683 1.00 0.00 O ATOM 0 H ASP A 37 -12.546 -8.182 -0.558 1.00 0.00 H new ATOM 0 HA ASP A 37 -12.952 -6.695 -2.888 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.177 -5.776 -0.089 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.855 -4.751 -1.339 1.00 0.00 H new ATOM 532 N LEU A 38 -9.871 -6.727 -1.795 1.00 0.00 N ATOM 533 CA LEU A 38 -8.494 -6.364 -2.114 1.00 0.00 C ATOM 534 C LEU A 38 -8.021 -7.115 -3.362 1.00 0.00 C ATOM 535 O LEU A 38 -7.039 -7.856 -3.320 1.00 0.00 O ATOM 536 CB LEU A 38 -7.578 -6.685 -0.926 1.00 0.00 C ATOM 537 CG LEU A 38 -6.382 -5.745 -0.733 1.00 0.00 C ATOM 538 CD1 LEU A 38 -5.521 -6.213 0.429 1.00 0.00 C ATOM 539 CD2 LEU A 38 -5.549 -5.645 -2.003 1.00 0.00 C ATOM 0 H LEU A 38 -9.962 -7.379 -1.016 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.452 -5.294 -2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.177 -6.672 -0.016 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.202 -7.701 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.770 -4.752 -0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.677 -5.535 0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.116 -6.222 1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.152 -7.219 0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.709 -4.972 -1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.174 -6.633 -2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.167 -5.259 -2.814 1.00 0.00 H new ATOM 551 N ILE A 39 -8.736 -6.928 -4.467 1.00 0.00 N ATOM 552 CA ILE A 39 -8.401 -7.591 -5.724 1.00 0.00 C ATOM 553 C ILE A 39 -7.071 -7.103 -6.288 1.00 0.00 C ATOM 554 O ILE A 39 -6.441 -7.794 -7.089 1.00 0.00 O ATOM 555 CB ILE A 39 -9.500 -7.379 -6.784 1.00 0.00 C ATOM 556 CG1 ILE A 39 -9.721 -5.883 -7.031 1.00 0.00 C ATOM 557 CG2 ILE A 39 -10.792 -8.053 -6.347 1.00 0.00 C ATOM 558 CD1 ILE A 39 -10.737 -5.589 -8.114 1.00 0.00 C ATOM 0 H ILE A 39 -9.554 -6.321 -4.518 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.319 -8.654 -5.495 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.177 -7.834 -7.720 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.047 -5.415 -6.102 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.770 -5.424 -7.303 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.559 -7.895 -7.105 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.620 -9.122 -6.222 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.123 -7.625 -5.401 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.841 -4.510 -8.233 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.403 -6.027 -9.055 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.700 -6.017 -7.836 1.00 0.00 H new ATOM 570 N GLY A 40 -6.654 -5.908 -5.884 1.00 0.00 N ATOM 571 CA GLY A 40 -5.407 -5.360 -6.386 1.00 0.00 C ATOM 572 C GLY A 40 -4.643 -4.556 -5.353 1.00 0.00 C ATOM 573 O GLY A 40 -5.233 -3.828 -4.554 1.00 0.00 O ATOM 0 H GLY A 40 -7.153 -5.313 -5.223 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.776 -6.176 -6.739 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.618 -4.725 -7.246 1.00 0.00 H new ATOM 577 N LEU A 41 -3.320 -4.690 -5.380 1.00 0.00 N ATOM 578 CA LEU A 41 -2.445 -3.977 -4.457 1.00 0.00 C ATOM 579 C LEU A 41 -1.103 -3.712 -5.133 1.00 0.00 C ATOM 580 O LEU A 41 -0.502 -4.621 -5.707 1.00 0.00 O ATOM 581 CB LEU A 41 -2.254 -4.799 -3.172 1.00 0.00 C ATOM 582 CG LEU A 41 -1.564 -4.082 -2.001 1.00 0.00 C ATOM 583 CD1 LEU A 41 -0.093 -3.829 -2.298 1.00 0.00 C ATOM 584 CD2 LEU A 41 -2.274 -2.773 -1.680 1.00 0.00 C ATOM 0 H LEU A 41 -2.827 -5.293 -6.039 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.898 -3.023 -4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.233 -5.140 -2.835 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.674 -5.689 -3.418 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.624 -4.734 -1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.367 -3.321 -1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.412 -4.780 -2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.003 -3.205 -3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.770 -2.280 -0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.251 -2.123 -2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.309 -2.978 -1.407 1.00 0.00 H new ATOM 596 N THR A 42 -0.638 -2.467 -5.074 1.00 0.00 N ATOM 597 CA THR A 42 0.629 -2.101 -5.697 1.00 0.00 C ATOM 598 C THR A 42 1.178 -0.793 -5.137 1.00 0.00 C ATOM 599 O THR A 42 0.489 0.228 -5.122 1.00 0.00 O ATOM 600 CB THR A 42 0.472 -1.959 -7.225 1.00 0.00 C ATOM 601 OG1 THR A 42 0.092 -3.215 -7.799 1.00 0.00 O ATOM 602 CG2 THR A 42 1.763 -1.474 -7.867 1.00 0.00 C ATOM 0 H THR A 42 -1.117 -1.699 -4.604 1.00 0.00 H new ATOM 0 HA THR A 42 1.331 -2.904 -5.471 1.00 0.00 H new ATOM 0 HB THR A 42 -0.306 -1.220 -7.416 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.213 -3.927 -7.137 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.622 -1.383 -8.944 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.032 -0.502 -7.453 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.561 -2.188 -7.664 1.00 0.00 H new ATOM 610 N ILE A 43 2.432 -0.830 -4.699 1.00 0.00 N ATOM 611 CA ILE A 43 3.090 0.352 -4.158 1.00 0.00 C ATOM 612 C ILE A 43 4.008 0.980 -5.202 1.00 0.00 C ATOM 613 O ILE A 43 4.826 0.292 -5.811 1.00 0.00 O ATOM 614 CB ILE A 43 3.907 0.018 -2.893 1.00 0.00 C ATOM 615 CG1 ILE A 43 2.969 -0.403 -1.757 1.00 0.00 C ATOM 616 CG2 ILE A 43 4.759 1.209 -2.477 1.00 0.00 C ATOM 617 CD1 ILE A 43 3.690 -0.828 -0.495 1.00 0.00 C ATOM 0 H ILE A 43 3.013 -1.668 -4.709 1.00 0.00 H new ATOM 0 HA ILE A 43 2.308 1.061 -3.887 1.00 0.00 H new ATOM 0 HB ILE A 43 4.575 -0.813 -3.116 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.303 0.427 -1.522 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.343 -1.226 -2.101 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.328 0.955 -1.583 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.446 1.465 -3.284 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.114 2.062 -2.266 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.960 -1.111 0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.335 -1.679 -0.714 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.295 0.000 -0.125 1.00 0.00 H new ATOM 629 N CYS A 44 3.858 2.289 -5.397 1.00 0.00 N ATOM 630 CA CYS A 44 4.662 3.036 -6.364 1.00 0.00 C ATOM 631 C CYS A 44 4.369 2.584 -7.795 1.00 0.00 C ATOM 632 O CYS A 44 3.721 3.300 -8.559 1.00 0.00 O ATOM 633 CB CYS A 44 6.153 2.881 -6.059 1.00 0.00 C ATOM 634 SG CYS A 44 7.227 3.827 -7.160 1.00 0.00 S ATOM 0 H CYS A 44 3.180 2.860 -4.892 1.00 0.00 H new ATOM 0 HA CYS A 44 4.391 4.088 -6.277 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.338 3.193 -5.031 1.00 0.00 H new ATOM 0 HB3 CYS A 44 6.420 1.826 -6.125 1.00 0.00 H new ATOM 0 HG CYS A 44 8.468 3.636 -6.825 1.00 0.00 H new ATOM 640 N GLY A 45 4.842 1.393 -8.149 1.00 0.00 N ATOM 641 CA GLY A 45 4.616 0.865 -9.481 1.00 0.00 C ATOM 642 C GLY A 45 5.060 -0.578 -9.614 1.00 0.00 C ATOM 643 O GLY A 45 5.467 -1.014 -10.690 1.00 0.00 O ATOM 0 H GLY A 45 5.380 0.782 -7.534 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.556 0.940 -9.723 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.153 1.476 -10.207 1.00 0.00 H new ATOM 647 N HIS A 46 4.973 -1.325 -8.515 1.00 0.00 N ATOM 648 CA HIS A 46 5.363 -2.730 -8.511 1.00 0.00 C ATOM 649 C HIS A 46 4.278 -3.592 -7.871 1.00 0.00 C ATOM 650 O HIS A 46 3.823 -3.312 -6.762 1.00 0.00 O ATOM 651 CB HIS A 46 6.682 -2.917 -7.759 1.00 0.00 C ATOM 652 CG HIS A 46 7.166 -4.334 -7.749 1.00 0.00 C ATOM 653 ND1 HIS A 46 7.539 -5.009 -8.892 1.00 0.00 N ATOM 654 CD2 HIS A 46 7.330 -5.208 -6.728 1.00 0.00 C ATOM 655 CE1 HIS A 46 7.910 -6.237 -8.574 1.00 0.00 C ATOM 656 NE2 HIS A 46 7.794 -6.382 -7.268 1.00 0.00 N ATOM 0 H HIS A 46 4.636 -0.979 -7.617 1.00 0.00 H new ATOM 0 HA HIS A 46 5.495 -3.045 -9.546 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.444 -2.284 -8.214 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.557 -2.576 -6.731 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.133 -5.017 -5.683 1.00 0.00 H new ATOM 0 HE1 HIS A 46 8.250 -6.993 -9.266 1.00 0.00 H new ATOM 0 HE2 HIS A 46 8.013 -7.229 -6.744 1.00 0.00 H new ATOM 665 N ASN A 47 3.872 -4.642 -8.578 1.00 0.00 N ATOM 666 CA ASN A 47 2.842 -5.547 -8.082 1.00 0.00 C ATOM 667 C ASN A 47 3.300 -6.251 -6.808 1.00 0.00 C ATOM 668 O ASN A 47 4.426 -6.742 -6.729 1.00 0.00 O ATOM 669 CB ASN A 47 2.486 -6.580 -9.152 1.00 0.00 C ATOM 670 CG ASN A 47 1.969 -5.936 -10.424 1.00 0.00 C ATOM 671 OD1 ASN A 47 2.667 -5.148 -11.062 1.00 0.00 O ATOM 672 ND2 ASN A 47 0.739 -6.269 -10.799 1.00 0.00 N ATOM 0 H ASN A 47 4.241 -4.887 -9.497 1.00 0.00 H new ATOM 0 HA ASN A 47 1.956 -4.956 -7.847 1.00 0.00 H new ATOM 0 HB2 ASN A 47 3.367 -7.179 -9.383 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.731 -7.261 -8.759 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.338 -5.867 -11.646 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.196 -6.927 -10.240 1.00 0.00 H new ATOM 679 N CYS A 48 2.416 -6.298 -5.815 1.00 0.00 N ATOM 680 CA CYS A 48 2.721 -6.941 -4.539 1.00 0.00 C ATOM 681 C CYS A 48 1.445 -7.452 -3.874 1.00 0.00 C ATOM 682 O CYS A 48 1.280 -7.346 -2.658 1.00 0.00 O ATOM 683 CB CYS A 48 3.430 -5.959 -3.601 1.00 0.00 C ATOM 684 SG CYS A 48 5.028 -5.367 -4.207 1.00 0.00 S ATOM 0 H CYS A 48 1.480 -5.897 -5.869 1.00 0.00 H new ATOM 0 HA CYS A 48 3.380 -7.787 -4.737 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.779 -5.101 -3.433 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.578 -6.441 -2.635 1.00 0.00 H new ATOM 0 HG CYS A 48 5.259 -5.869 -5.384 1.00 0.00 H new ATOM 690 N LEU A 49 0.542 -8.001 -4.682 1.00 0.00 N ATOM 691 CA LEU A 49 -0.724 -8.523 -4.176 1.00 0.00 C ATOM 692 C LEU A 49 -0.525 -9.842 -3.432 1.00 0.00 C ATOM 693 O LEU A 49 -1.067 -10.037 -2.345 1.00 0.00 O ATOM 694 CB LEU A 49 -1.713 -8.714 -5.330 1.00 0.00 C ATOM 695 CG LEU A 49 -3.112 -9.183 -4.923 1.00 0.00 C ATOM 696 CD1 LEU A 49 -3.780 -8.159 -4.015 1.00 0.00 C ATOM 697 CD2 LEU A 49 -3.964 -9.440 -6.157 1.00 0.00 C ATOM 0 H LEU A 49 0.664 -8.096 -5.690 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.129 -7.797 -3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.806 -7.770 -5.867 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.294 -9.438 -6.029 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.014 -10.117 -4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.773 -8.512 -3.737 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.179 -8.023 -3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.867 -7.208 -4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.956 -9.773 -5.851 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.052 -8.521 -6.736 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.495 -10.211 -6.769 1.00 0.00 H new ATOM 709 N LEU A 50 0.247 -10.747 -4.030 1.00 0.00 N ATOM 710 CA LEU A 50 0.509 -12.051 -3.426 1.00 0.00 C ATOM 711 C LEU A 50 1.088 -11.903 -2.021 1.00 0.00 C ATOM 712 O LEU A 50 0.763 -12.680 -1.122 1.00 0.00 O ATOM 713 CB LEU A 50 1.461 -12.882 -4.298 1.00 0.00 C ATOM 714 CG LEU A 50 2.911 -12.388 -4.365 1.00 0.00 C ATOM 715 CD1 LEU A 50 3.798 -13.445 -5.003 1.00 0.00 C ATOM 716 CD2 LEU A 50 3.008 -11.085 -5.144 1.00 0.00 C ATOM 0 H LEU A 50 0.702 -10.601 -4.931 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.445 -12.573 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.463 -13.906 -3.925 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.061 -12.913 -5.311 1.00 0.00 H new ATOM 0 HG LEU A 50 3.253 -12.203 -3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.825 -13.082 -5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.760 -14.358 -4.409 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.446 -13.654 -6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.047 -10.757 -5.176 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.645 -11.241 -6.160 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.402 -10.323 -4.655 1.00 0.00 H new ATOM 728 N THR A 51 1.945 -10.904 -1.838 1.00 0.00 N ATOM 729 CA THR A 51 2.567 -10.658 -0.541 1.00 0.00 C ATOM 730 C THR A 51 1.615 -9.913 0.388 1.00 0.00 C ATOM 731 O THR A 51 1.585 -10.164 1.593 1.00 0.00 O ATOM 732 CB THR A 51 3.869 -9.847 -0.683 1.00 0.00 C ATOM 733 OG1 THR A 51 3.597 -8.590 -1.313 1.00 0.00 O ATOM 734 CG2 THR A 51 4.903 -10.615 -1.495 1.00 0.00 C ATOM 0 H THR A 51 2.225 -10.252 -2.571 1.00 0.00 H new ATOM 0 HA THR A 51 2.803 -11.632 -0.113 1.00 0.00 H new ATOM 0 HB THR A 51 4.272 -9.674 0.315 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.429 -8.080 -1.398 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.813 -10.021 -1.581 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.131 -11.557 -0.996 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.507 -10.818 -2.490 1.00 0.00 H new ATOM 742 N ALA A 52 0.840 -8.995 -0.182 1.00 0.00 N ATOM 743 CA ALA A 52 -0.115 -8.209 0.592 1.00 0.00 C ATOM 744 C ALA A 52 -1.111 -9.108 1.318 1.00 0.00 C ATOM 745 O ALA A 52 -1.648 -10.052 0.738 1.00 0.00 O ATOM 746 CB ALA A 52 -0.847 -7.230 -0.314 1.00 0.00 C ATOM 0 H ALA A 52 0.855 -8.777 -1.178 1.00 0.00 H new ATOM 0 HA ALA A 52 0.440 -7.648 1.344 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.557 -6.650 0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.127 -6.558 -0.780 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.383 -7.781 -1.087 1.00 0.00 H new ATOM 752 N GLU A 53 -1.356 -8.804 2.588 1.00 0.00 N ATOM 753 CA GLU A 53 -2.288 -9.579 3.399 1.00 0.00 C ATOM 754 C GLU A 53 -3.344 -8.673 4.026 1.00 0.00 C ATOM 755 O GLU A 53 -3.021 -7.660 4.646 1.00 0.00 O ATOM 756 CB GLU A 53 -1.535 -10.342 4.493 1.00 0.00 C ATOM 757 CG GLU A 53 -2.438 -11.150 5.415 1.00 0.00 C ATOM 758 CD GLU A 53 -3.188 -12.254 4.694 1.00 0.00 C ATOM 759 OE1 GLU A 53 -3.988 -11.939 3.787 1.00 0.00 O ATOM 760 OE2 GLU A 53 -2.976 -13.436 5.037 1.00 0.00 O ATOM 0 H GLU A 53 -0.920 -8.024 3.079 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.790 -10.296 2.749 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.816 -11.014 4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.964 -9.631 5.091 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.836 -11.588 6.211 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.156 -10.481 5.889 1.00 0.00 H new ATOM 767 N TRP A 54 -4.608 -9.046 3.855 1.00 0.00 N ATOM 768 CA TRP A 54 -5.721 -8.274 4.398 1.00 0.00 C ATOM 769 C TRP A 54 -5.776 -8.385 5.920 1.00 0.00 C ATOM 770 O TRP A 54 -5.470 -9.434 6.486 1.00 0.00 O ATOM 771 CB TRP A 54 -7.042 -8.760 3.800 1.00 0.00 C ATOM 772 CG TRP A 54 -8.218 -7.925 4.203 1.00 0.00 C ATOM 773 CD1 TRP A 54 -8.684 -6.804 3.577 1.00 0.00 C ATOM 774 CD2 TRP A 54 -9.062 -8.130 5.340 1.00 0.00 C ATOM 775 NE1 TRP A 54 -9.780 -6.312 4.246 1.00 0.00 N ATOM 776 CE2 TRP A 54 -10.029 -7.107 5.333 1.00 0.00 C ATOM 777 CE3 TRP A 54 -9.097 -9.083 6.360 1.00 0.00 C ATOM 778 CZ2 TRP A 54 -11.020 -7.013 6.308 1.00 0.00 C ATOM 779 CZ3 TRP A 54 -10.078 -8.988 7.328 1.00 0.00 C ATOM 780 CH2 TRP A 54 -11.028 -7.960 7.297 1.00 0.00 C ATOM 0 H TRP A 54 -4.888 -9.882 3.342 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.565 -7.228 4.132 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -6.962 -8.761 2.713 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -7.215 -9.791 4.108 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.255 -6.368 2.687 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -10.319 -5.489 3.977 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -8.370 -9.881 6.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.755 -6.222 6.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -10.113 -9.719 8.122 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -11.782 -7.913 8.069 1.00 0.00 H new ATOM 791 N MET A 55 -6.180 -7.300 6.574 1.00 0.00 N ATOM 792 CA MET A 55 -6.289 -7.279 8.030 1.00 0.00 C ATOM 793 C MET A 55 -7.624 -6.682 8.464 1.00 0.00 C ATOM 794 O MET A 55 -8.327 -7.253 9.298 1.00 0.00 O ATOM 795 CB MET A 55 -5.145 -6.474 8.648 1.00 0.00 C ATOM 796 CG MET A 55 -3.769 -7.071 8.400 1.00 0.00 C ATOM 797 SD MET A 55 -3.583 -8.713 9.119 1.00 0.00 S ATOM 798 CE MET A 55 -1.860 -9.046 8.763 1.00 0.00 C ATOM 0 H MET A 55 -6.437 -6.424 6.119 1.00 0.00 H new ATOM 0 HA MET A 55 -6.229 -8.309 8.382 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.169 -5.461 8.247 1.00 0.00 H new ATOM 0 HB3 MET A 55 -5.308 -6.395 9.723 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.590 -7.127 7.326 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.010 -6.409 8.816 1.00 0.00 H new ATOM 0 HE1 MET A 55 -1.659 -10.109 8.900 1.00 0.00 H new ATOM 0 HE2 MET A 55 -1.640 -8.765 7.733 1.00 0.00 H new ATOM 0 HE3 MET A 55 -1.230 -8.468 9.439 1.00 0.00 H new ATOM 808 N SER A 56 -7.969 -5.533 7.888 1.00 0.00 N ATOM 809 CA SER A 56 -9.221 -4.857 8.209 1.00 0.00 C ATOM 810 C SER A 56 -9.581 -3.845 7.125 1.00 0.00 C ATOM 811 O SER A 56 -9.063 -3.907 6.010 1.00 0.00 O ATOM 812 CB SER A 56 -9.116 -4.153 9.565 1.00 0.00 C ATOM 813 OG SER A 56 -8.853 -5.077 10.605 1.00 0.00 O ATOM 0 H SER A 56 -7.397 -5.051 7.195 1.00 0.00 H new ATOM 0 HA SER A 56 -10.009 -5.609 8.260 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.322 -3.407 9.529 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.044 -3.621 9.774 1.00 0.00 H new ATOM 0 HG SER A 56 -9.017 -5.988 10.283 1.00 0.00 H new ATOM 819 N ALA A 57 -10.469 -2.912 7.458 1.00 0.00 N ATOM 820 CA ALA A 57 -10.890 -1.889 6.508 1.00 0.00 C ATOM 821 C ALA A 57 -10.027 -0.639 6.624 1.00 0.00 C ATOM 822 O ALA A 57 -10.504 0.475 6.409 1.00 0.00 O ATOM 823 CB ALA A 57 -12.356 -1.544 6.723 1.00 0.00 C ATOM 0 H ALA A 57 -10.909 -2.844 8.376 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.764 -2.289 5.502 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.658 -0.779 6.008 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.965 -2.437 6.579 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.497 -1.169 7.737 1.00 0.00 H new ATOM 829 N SER A 58 -8.752 -0.832 6.959 1.00 0.00 N ATOM 830 CA SER A 58 -7.821 0.285 7.100 1.00 0.00 C ATOM 831 C SER A 58 -6.421 -0.204 7.459 1.00 0.00 C ATOM 832 O SER A 58 -5.703 0.454 8.211 1.00 0.00 O ATOM 833 CB SER A 58 -8.316 1.258 8.171 1.00 0.00 C ATOM 834 OG SER A 58 -8.413 0.622 9.434 1.00 0.00 O ATOM 0 H SER A 58 -8.342 -1.749 7.137 1.00 0.00 H new ATOM 0 HA SER A 58 -7.771 0.799 6.140 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.635 2.106 8.239 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.290 1.654 7.884 1.00 0.00 H new ATOM 0 HG SER A 58 -8.730 1.266 10.101 1.00 0.00 H new ATOM 840 N LYS A 59 -6.032 -1.353 6.918 1.00 0.00 N ATOM 841 CA LYS A 59 -4.709 -1.907 7.189 1.00 0.00 C ATOM 842 C LYS A 59 -4.364 -3.015 6.197 1.00 0.00 C ATOM 843 O LYS A 59 -5.188 -3.882 5.909 1.00 0.00 O ATOM 844 CB LYS A 59 -4.635 -2.444 8.621 1.00 0.00 C ATOM 845 CG LYS A 59 -3.245 -2.924 9.014 1.00 0.00 C ATOM 846 CD LYS A 59 -3.198 -3.437 10.449 1.00 0.00 C ATOM 847 CE LYS A 59 -3.416 -2.324 11.467 1.00 0.00 C ATOM 848 NZ LYS A 59 -4.811 -1.803 11.446 1.00 0.00 N ATOM 0 H LYS A 59 -6.609 -1.916 6.293 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.981 -1.104 7.074 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.950 -1.662 9.312 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.340 -3.268 8.729 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.931 -3.717 8.336 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.534 -2.106 8.899 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.960 -4.204 10.584 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.233 -3.910 10.632 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.185 -2.697 12.465 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.723 -1.508 11.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.124 -1.608 12.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.845 -0.925 10.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.440 -2.511 11.016 1.00 0.00 H new ATOM 862 N ILE A 60 -3.135 -2.978 5.686 1.00 0.00 N ATOM 863 CA ILE A 60 -2.668 -3.975 4.728 1.00 0.00 C ATOM 864 C ILE A 60 -1.159 -4.174 4.846 1.00 0.00 C ATOM 865 O ILE A 60 -0.385 -3.233 4.670 1.00 0.00 O ATOM 866 CB ILE A 60 -2.996 -3.566 3.274 1.00 0.00 C ATOM 867 CG1 ILE A 60 -4.510 -3.450 3.073 1.00 0.00 C ATOM 868 CG2 ILE A 60 -2.403 -4.567 2.292 1.00 0.00 C ATOM 869 CD1 ILE A 60 -4.904 -2.968 1.693 1.00 0.00 C ATOM 0 H ILE A 60 -2.444 -2.266 5.921 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.187 -4.904 4.963 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.550 -2.590 3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.967 -4.423 3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.915 -2.765 3.817 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.644 -4.263 1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.320 -4.600 2.415 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.820 -5.556 2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.990 -2.910 1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.476 -1.981 1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.529 -3.665 0.943 1.00 0.00 H new ATOM 881 N VAL A 61 -0.748 -5.405 5.136 1.00 0.00 N ATOM 882 CA VAL A 61 0.670 -5.725 5.265 1.00 0.00 C ATOM 883 C VAL A 61 1.247 -6.160 3.922 1.00 0.00 C ATOM 884 O VAL A 61 0.707 -7.050 3.269 1.00 0.00 O ATOM 885 CB VAL A 61 0.903 -6.841 6.303 1.00 0.00 C ATOM 886 CG1 VAL A 61 2.388 -7.125 6.469 1.00 0.00 C ATOM 887 CG2 VAL A 61 0.270 -6.470 7.636 1.00 0.00 C ATOM 0 H VAL A 61 -1.375 -6.196 5.286 1.00 0.00 H new ATOM 0 HA VAL A 61 1.176 -4.821 5.604 1.00 0.00 H new ATOM 0 HB VAL A 61 0.426 -7.751 5.939 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.527 -7.916 7.206 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.807 -7.442 5.514 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.896 -6.221 6.806 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.444 -7.269 8.357 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.714 -5.545 8.005 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.803 -6.329 7.503 1.00 0.00 H new ATOM 897 N CYS A 62 2.341 -5.527 3.512 1.00 0.00 N ATOM 898 CA CYS A 62 2.978 -5.855 2.239 1.00 0.00 C ATOM 899 C CYS A 62 4.329 -5.164 2.105 1.00 0.00 C ATOM 900 O CYS A 62 4.570 -4.123 2.717 1.00 0.00 O ATOM 901 CB CYS A 62 2.073 -5.452 1.073 1.00 0.00 C ATOM 902 SG CYS A 62 1.689 -3.688 1.013 1.00 0.00 S ATOM 0 H CYS A 62 2.804 -4.787 4.039 1.00 0.00 H new ATOM 0 HA CYS A 62 3.139 -6.933 2.214 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.553 -5.740 0.138 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.141 -6.014 1.139 1.00 0.00 H new ATOM 0 HG CYS A 62 2.115 -3.189 -0.109 1.00 0.00 H new ATOM 908 N ARG A 63 5.209 -5.751 1.300 1.00 0.00 N ATOM 909 CA ARG A 63 6.538 -5.192 1.084 1.00 0.00 C ATOM 910 C ARG A 63 6.501 -4.119 0.000 1.00 0.00 C ATOM 911 O ARG A 63 5.899 -4.310 -1.058 1.00 0.00 O ATOM 912 CB ARG A 63 7.520 -6.298 0.695 1.00 0.00 C ATOM 913 CG ARG A 63 7.642 -7.395 1.741 1.00 0.00 C ATOM 914 CD ARG A 63 8.605 -8.486 1.302 1.00 0.00 C ATOM 915 NE ARG A 63 8.728 -9.540 2.307 1.00 0.00 N ATOM 916 CZ ARG A 63 9.486 -10.623 2.156 1.00 0.00 C ATOM 917 NH1 ARG A 63 10.180 -10.803 1.041 1.00 0.00 N ATOM 918 NH2 ARG A 63 9.548 -11.530 3.122 1.00 0.00 N ATOM 0 H ARG A 63 5.025 -6.613 0.787 1.00 0.00 H new ATOM 0 HA ARG A 63 6.873 -4.733 2.014 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.202 -6.740 -0.249 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.503 -5.858 0.525 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.985 -6.964 2.682 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.660 -7.830 1.928 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.260 -8.918 0.363 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.586 -8.050 1.111 1.00 0.00 H new ATOM 0 HE ARG A 63 8.202 -9.439 3.175 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.134 -10.110 0.294 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.760 -11.635 0.930 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.014 -11.397 3.981 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.129 -12.360 3.006 1.00 0.00 H new ATOM 932 N VAL A 64 7.142 -2.987 0.275 1.00 0.00 N ATOM 933 CA VAL A 64 7.179 -1.875 -0.668 1.00 0.00 C ATOM 934 C VAL A 64 7.872 -2.257 -1.973 1.00 0.00 C ATOM 935 O VAL A 64 8.967 -2.817 -1.971 1.00 0.00 O ATOM 936 CB VAL A 64 7.886 -0.648 -0.061 1.00 0.00 C ATOM 937 CG1 VAL A 64 7.009 -0.003 1.000 1.00 0.00 C ATOM 938 CG2 VAL A 64 9.232 -1.043 0.531 1.00 0.00 C ATOM 0 H VAL A 64 7.644 -2.816 1.146 1.00 0.00 H new ATOM 0 HA VAL A 64 6.141 -1.622 -0.885 1.00 0.00 H new ATOM 0 HB VAL A 64 8.060 0.077 -0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.522 0.862 1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.069 0.316 0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.806 -0.724 1.792 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.716 -0.163 0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.081 -1.786 1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.864 -1.463 -0.251 1.00 0.00 H new ATOM 1052 N GLY A 72 6.853 8.084 -4.022 1.00 0.00 N ATOM 1053 CA GLY A 72 6.341 7.012 -3.176 1.00 0.00 C ATOM 1054 C GLY A 72 4.823 6.932 -3.150 1.00 0.00 C ATOM 1055 O GLY A 72 4.228 6.743 -2.090 1.00 0.00 O ATOM 0 HA2 GLY A 72 6.741 6.061 -3.527 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.707 7.156 -2.159 1.00 0.00 H new ATOM 1059 N ASP A 73 4.197 7.088 -4.312 1.00 0.00 N ATOM 1060 CA ASP A 73 2.741 7.044 -4.405 1.00 0.00 C ATOM 1061 C ASP A 73 2.200 5.660 -4.062 1.00 0.00 C ATOM 1062 O ASP A 73 2.548 4.670 -4.704 1.00 0.00 O ATOM 1063 CB ASP A 73 2.287 7.443 -5.810 1.00 0.00 C ATOM 1064 CG ASP A 73 2.721 8.847 -6.183 1.00 0.00 C ATOM 1065 OD1 ASP A 73 2.324 9.797 -5.477 1.00 0.00 O ATOM 1066 OD2 ASP A 73 3.457 8.996 -7.180 1.00 0.00 O ATOM 0 H ASP A 73 4.673 7.246 -5.200 1.00 0.00 H new ATOM 0 HA ASP A 73 2.343 7.754 -3.680 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.693 6.736 -6.534 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.201 7.374 -5.871 1.00 0.00 H new ATOM 1071 N ILE A 74 1.333 5.604 -3.055 1.00 0.00 N ATOM 1072 CA ILE A 74 0.725 4.348 -2.633 1.00 0.00 C ATOM 1073 C ILE A 74 -0.662 4.195 -3.251 1.00 0.00 C ATOM 1074 O ILE A 74 -1.474 5.118 -3.206 1.00 0.00 O ATOM 1075 CB ILE A 74 0.624 4.261 -1.095 1.00 0.00 C ATOM 1076 CG1 ILE A 74 2.026 4.290 -0.478 1.00 0.00 C ATOM 1077 CG2 ILE A 74 -0.128 3.003 -0.675 1.00 0.00 C ATOM 1078 CD1 ILE A 74 2.033 4.323 1.037 1.00 0.00 C ATOM 0 H ILE A 74 1.036 6.417 -2.515 1.00 0.00 H new ATOM 0 HA ILE A 74 1.366 3.537 -2.980 1.00 0.00 H new ATOM 0 HB ILE A 74 0.064 5.122 -0.730 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.578 3.412 -0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.558 5.164 -0.853 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.188 2.961 0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.134 3.024 -1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.400 2.123 -1.044 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.062 4.342 1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.511 5.215 1.384 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.531 3.436 1.423 1.00 0.00 H new ATOM 1090 N ILE A 75 -0.921 3.030 -3.838 1.00 0.00 N ATOM 1091 CA ILE A 75 -2.206 2.767 -4.475 1.00 0.00 C ATOM 1092 C ILE A 75 -2.751 1.396 -4.087 1.00 0.00 C ATOM 1093 O ILE A 75 -2.004 0.420 -4.000 1.00 0.00 O ATOM 1094 CB ILE A 75 -2.095 2.845 -6.014 1.00 0.00 C ATOM 1095 CG1 ILE A 75 -1.609 4.231 -6.450 1.00 0.00 C ATOM 1096 CG2 ILE A 75 -3.434 2.518 -6.664 1.00 0.00 C ATOM 1097 CD1 ILE A 75 -2.554 5.356 -6.081 1.00 0.00 C ATOM 0 H ILE A 75 -0.259 2.255 -3.885 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.893 3.537 -4.123 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.364 2.107 -6.343 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.636 4.423 -5.997 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.464 4.231 -7.530 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.337 2.578 -7.748 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.739 1.510 -6.382 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.186 3.232 -6.327 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.141 6.305 -6.423 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.521 5.189 -6.555 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.681 5.384 -4.999 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.060 1.330 -3.863 1.00 0.00 N ATOM 1110 CA VAL A 76 -4.715 0.083 -3.493 1.00 0.00 C ATOM 1111 C VAL A 76 -6.071 -0.041 -4.181 1.00 0.00 C ATOM 1112 O VAL A 76 -6.916 0.851 -4.080 1.00 0.00 O ATOM 1113 CB VAL A 76 -4.899 -0.026 -1.967 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -5.665 1.173 -1.435 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -5.605 -1.325 -1.601 1.00 0.00 C ATOM 0 H VAL A 76 -4.689 2.130 -3.932 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.069 -0.731 -3.823 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.913 -0.034 -1.502 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -5.785 1.078 -0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.114 2.086 -1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.647 1.216 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.725 -1.382 -0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.585 -1.353 -2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.011 -2.172 -1.945 1.00 0.00 H new ATOM 1125 N THR A 77 -6.271 -1.148 -4.888 1.00 0.00 N ATOM 1126 CA THR A 77 -7.520 -1.384 -5.599 1.00 0.00 C ATOM 1127 C THR A 77 -8.518 -2.130 -4.717 1.00 0.00 C ATOM 1128 O THR A 77 -8.145 -3.042 -3.980 1.00 0.00 O ATOM 1129 CB THR A 77 -7.287 -2.187 -6.892 1.00 0.00 C ATOM 1130 OG1 THR A 77 -6.207 -1.611 -7.637 1.00 0.00 O ATOM 1131 CG2 THR A 77 -8.542 -2.196 -7.751 1.00 0.00 C ATOM 0 H THR A 77 -5.584 -1.895 -4.983 1.00 0.00 H new ATOM 0 HA THR A 77 -7.929 -0.408 -5.859 1.00 0.00 H new ATOM 0 HB THR A 77 -7.038 -3.212 -6.618 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.063 -2.128 -8.457 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.357 -2.768 -8.660 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.360 -2.653 -7.195 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.810 -1.173 -8.015 1.00 0.00 H new ATOM 1139 N THR A 78 -9.785 -1.736 -4.799 1.00 0.00 N ATOM 1140 CA THR A 78 -10.838 -2.365 -4.006 1.00 0.00 C ATOM 1141 C THR A 78 -12.165 -2.371 -4.760 1.00 0.00 C ATOM 1142 O THR A 78 -12.482 -1.429 -5.482 1.00 0.00 O ATOM 1143 CB THR A 78 -11.039 -1.646 -2.658 1.00 0.00 C ATOM 1144 OG1 THR A 78 -11.380 -0.272 -2.880 1.00 0.00 O ATOM 1145 CG2 THR A 78 -9.785 -1.728 -1.799 1.00 0.00 C ATOM 0 H THR A 78 -10.109 -0.984 -5.407 1.00 0.00 H new ATOM 0 HA THR A 78 -10.518 -3.390 -3.820 1.00 0.00 H new ATOM 0 HB THR A 78 -11.852 -2.144 -2.130 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.508 0.177 -2.018 1.00 0.00 H new ATOM 0 HG21 THR A 78 -9.957 -1.212 -0.854 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.546 -2.773 -1.603 1.00 0.00 H new ATOM 0 HG23 THR A 78 -8.953 -1.257 -2.323 1.00 0.00 H new ATOM 1153 N LYS A 79 -12.936 -3.437 -4.589 1.00 0.00 N ATOM 1154 CA LYS A 79 -14.230 -3.563 -5.254 1.00 0.00 C ATOM 1155 C LYS A 79 -15.114 -2.350 -4.969 1.00 0.00 C ATOM 1156 O LYS A 79 -15.906 -1.935 -5.816 1.00 0.00 O ATOM 1157 CB LYS A 79 -14.936 -4.842 -4.800 1.00 0.00 C ATOM 1158 CG LYS A 79 -14.170 -6.114 -5.137 1.00 0.00 C ATOM 1159 CD LYS A 79 -14.011 -6.296 -6.640 1.00 0.00 C ATOM 1160 CE LYS A 79 -15.353 -6.499 -7.326 1.00 0.00 C ATOM 1161 NZ LYS A 79 -16.061 -7.705 -6.815 1.00 0.00 N ATOM 0 H LYS A 79 -12.689 -4.229 -3.995 1.00 0.00 H new ATOM 0 HA LYS A 79 -14.054 -3.614 -6.328 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -15.093 -4.797 -3.722 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.921 -4.887 -5.264 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.186 -6.081 -4.669 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.693 -6.975 -4.720 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.515 -5.422 -7.062 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.368 -7.154 -6.837 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -15.977 -5.619 -7.171 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.200 -6.596 -8.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.833 -7.956 -7.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -15.392 -8.499 -6.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -16.453 -7.504 -5.873 1.00 0.00 H new ATOM 1175 N SER A 80 -14.980 -1.795 -3.768 1.00 0.00 N ATOM 1176 CA SER A 80 -15.772 -0.636 -3.363 1.00 0.00 C ATOM 1177 C SER A 80 -15.469 0.587 -4.230 1.00 0.00 C ATOM 1178 O SER A 80 -16.385 1.242 -4.731 1.00 0.00 O ATOM 1179 CB SER A 80 -15.512 -0.307 -1.892 1.00 0.00 C ATOM 1180 OG SER A 80 -15.852 -1.400 -1.056 1.00 0.00 O ATOM 0 H SER A 80 -14.330 -2.129 -3.057 1.00 0.00 H new ATOM 0 HA SER A 80 -16.823 -0.892 -3.499 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.461 -0.053 -1.753 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.093 0.569 -1.604 1.00 0.00 H new ATOM 0 HG SER A 80 -15.675 -1.164 -0.121 1.00 0.00 H new ATOM 1186 N GLY A 81 -14.186 0.897 -4.401 1.00 0.00 N ATOM 1187 CA GLY A 81 -13.803 2.050 -5.204 1.00 0.00 C ATOM 1188 C GLY A 81 -12.863 1.689 -6.338 1.00 0.00 C ATOM 1189 O GLY A 81 -13.079 2.086 -7.483 1.00 0.00 O ATOM 0 H GLY A 81 -13.407 0.374 -4.001 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.699 2.515 -5.615 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.325 2.791 -4.563 1.00 0.00 H new ATOM 1193 N GLY A 82 -11.820 0.933 -6.019 1.00 0.00 N ATOM 1194 CA GLY A 82 -10.859 0.522 -7.026 1.00 0.00 C ATOM 1195 C GLY A 82 -9.916 1.636 -7.429 1.00 0.00 C ATOM 1196 O GLY A 82 -10.351 2.726 -7.804 1.00 0.00 O ATOM 0 H GLY A 82 -11.621 0.596 -5.077 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.279 -0.319 -6.646 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.393 0.168 -7.908 1.00 0.00 H new ATOM 1200 N LYS A 83 -8.620 1.350 -7.360 1.00 0.00 N ATOM 1201 CA LYS A 83 -7.593 2.317 -7.724 1.00 0.00 C ATOM 1202 C LYS A 83 -7.809 3.646 -6.997 1.00 0.00 C ATOM 1203 O LYS A 83 -7.945 4.696 -7.627 1.00 0.00 O ATOM 1204 CB LYS A 83 -7.581 2.531 -9.240 1.00 0.00 C ATOM 1205 CG LYS A 83 -6.420 3.382 -9.723 1.00 0.00 C ATOM 1206 CD LYS A 83 -6.449 3.565 -11.232 1.00 0.00 C ATOM 1207 CE LYS A 83 -5.279 4.408 -11.710 1.00 0.00 C ATOM 1208 NZ LYS A 83 -5.290 5.768 -11.104 1.00 0.00 N ATOM 0 H LYS A 83 -8.255 0.449 -7.053 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.625 1.919 -7.418 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.541 1.561 -9.735 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.517 3.003 -9.540 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.456 4.357 -9.237 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.480 2.915 -9.431 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.420 2.590 -11.719 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.385 4.040 -11.525 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.344 3.907 -11.460 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.313 4.494 -12.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.631 6.384 -11.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.250 6.164 -11.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.996 5.707 -10.108 1.00 0.00 H new ATOM 1222 N GLY A 84 -7.849 3.591 -5.668 1.00 0.00 N ATOM 1223 CA GLY A 84 -8.056 4.793 -4.877 1.00 0.00 C ATOM 1224 C GLY A 84 -6.889 5.761 -4.959 1.00 0.00 C ATOM 1225 O GLY A 84 -6.323 5.975 -6.031 1.00 0.00 O ATOM 0 H GLY A 84 -7.742 2.735 -5.124 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.962 5.294 -5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.218 4.514 -3.836 1.00 0.00 H new ATOM 1229 N THR A 85 -6.527 6.345 -3.816 1.00 0.00 N ATOM 1230 CA THR A 85 -5.420 7.297 -3.752 1.00 0.00 C ATOM 1231 C THR A 85 -4.744 7.251 -2.386 1.00 0.00 C ATOM 1232 O THR A 85 -4.993 6.344 -1.591 1.00 0.00 O ATOM 1233 CB THR A 85 -5.895 8.739 -4.024 1.00 0.00 C ATOM 1234 OG1 THR A 85 -6.924 9.101 -3.096 1.00 0.00 O ATOM 1235 CG2 THR A 85 -6.413 8.891 -5.446 1.00 0.00 C ATOM 0 H THR A 85 -6.986 6.174 -2.921 1.00 0.00 H new ATOM 0 HA THR A 85 -4.708 7.007 -4.525 1.00 0.00 H new ATOM 0 HB THR A 85 -5.039 9.402 -3.898 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.218 10.018 -3.275 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.740 9.918 -5.606 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.617 8.649 -6.151 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.253 8.214 -5.601 1.00 0.00 H new ATOM 1243 N SER A 86 -3.884 8.233 -2.117 1.00 0.00 N ATOM 1244 CA SER A 86 -3.172 8.296 -0.844 1.00 0.00 C ATOM 1245 C SER A 86 -2.490 9.648 -0.658 1.00 0.00 C ATOM 1246 O SER A 86 -1.765 10.115 -1.536 1.00 0.00 O ATOM 1247 CB SER A 86 -2.130 7.180 -0.771 1.00 0.00 C ATOM 1248 OG SER A 86 -1.436 7.211 0.463 1.00 0.00 O ATOM 0 H SER A 86 -3.665 8.992 -2.762 1.00 0.00 H new ATOM 0 HA SER A 86 -3.902 8.167 -0.045 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.619 6.213 -0.893 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.422 7.285 -1.593 1.00 0.00 H new ATOM 0 HG SER A 86 -2.019 7.583 1.157 1.00 0.00 H new ATOM 1254 N THR A 87 -2.725 10.269 0.495 1.00 0.00 N ATOM 1255 CA THR A 87 -2.130 11.564 0.803 1.00 0.00 C ATOM 1256 C THR A 87 -0.817 11.402 1.564 1.00 0.00 C ATOM 1257 O THR A 87 -0.510 12.183 2.464 1.00 0.00 O ATOM 1258 CB THR A 87 -3.090 12.436 1.635 1.00 0.00 C ATOM 1259 OG1 THR A 87 -3.400 11.781 2.871 1.00 0.00 O ATOM 1260 CG2 THR A 87 -4.373 12.710 0.866 1.00 0.00 C ATOM 0 H THR A 87 -3.324 9.895 1.231 1.00 0.00 H new ATOM 0 HA THR A 87 -1.933 12.057 -0.149 1.00 0.00 H new ATOM 0 HB THR A 87 -2.597 13.386 1.841 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.009 12.342 3.395 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.036 13.327 1.472 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.137 13.233 -0.061 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.867 11.766 0.634 1.00 0.00 H new ATOM 1268 N VAL A 88 -0.044 10.384 1.190 1.00 0.00 N ATOM 1269 CA VAL A 88 1.241 10.113 1.832 1.00 0.00 C ATOM 1270 C VAL A 88 2.207 9.448 0.856 1.00 0.00 C ATOM 1271 O VAL A 88 1.816 8.579 0.076 1.00 0.00 O ATOM 1272 CB VAL A 88 1.088 9.207 3.072 1.00 0.00 C ATOM 1273 CG1 VAL A 88 0.289 9.906 4.161 1.00 0.00 C ATOM 1274 CG2 VAL A 88 0.437 7.885 2.694 1.00 0.00 C ATOM 0 H VAL A 88 -0.286 9.732 0.444 1.00 0.00 H new ATOM 0 HA VAL A 88 1.638 11.077 2.149 1.00 0.00 H new ATOM 0 HB VAL A 88 2.084 9.000 3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.195 9.247 5.024 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.801 10.821 4.458 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.703 10.152 3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.338 7.261 3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.550 8.073 2.271 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.056 7.372 1.957 1.00 0.00 H new ATOM 1284 N SER A 89 3.469 9.864 0.900 1.00 0.00 N ATOM 1285 CA SER A 89 4.485 9.306 0.012 1.00 0.00 C ATOM 1286 C SER A 89 5.600 8.634 0.805 1.00 0.00 C ATOM 1287 O SER A 89 6.183 9.233 1.710 1.00 0.00 O ATOM 1288 CB SER A 89 5.074 10.406 -0.872 1.00 0.00 C ATOM 1289 OG SER A 89 4.062 11.054 -1.624 1.00 0.00 O ATOM 0 H SER A 89 3.812 10.582 1.538 1.00 0.00 H new ATOM 0 HA SER A 89 4.006 8.554 -0.615 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.594 11.136 -0.251 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.814 9.977 -1.547 1.00 0.00 H new ATOM 0 HG SER A 89 4.465 11.754 -2.179 1.00 0.00 H new ATOM 1295 N PHE A 90 5.895 7.387 0.453 1.00 0.00 N ATOM 1296 CA PHE A 90 6.944 6.630 1.123 1.00 0.00 C ATOM 1297 C PHE A 90 8.294 6.850 0.446 1.00 0.00 C ATOM 1298 O PHE A 90 8.445 6.605 -0.750 1.00 0.00 O ATOM 1299 CB PHE A 90 6.608 5.138 1.120 1.00 0.00 C ATOM 1300 CG PHE A 90 7.673 4.279 1.744 1.00 0.00 C ATOM 1301 CD1 PHE A 90 8.063 4.482 3.058 1.00 0.00 C ATOM 1302 CD2 PHE A 90 8.284 3.271 1.016 1.00 0.00 C ATOM 1303 CE1 PHE A 90 9.042 3.695 3.633 1.00 0.00 C ATOM 1304 CE2 PHE A 90 9.264 2.481 1.587 1.00 0.00 C ATOM 1305 CZ PHE A 90 9.643 2.694 2.897 1.00 0.00 C ATOM 0 H PHE A 90 5.421 6.879 -0.294 1.00 0.00 H new ATOM 0 HA PHE A 90 7.007 6.984 2.152 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.670 4.984 1.654 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.447 4.813 0.092 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.597 5.264 3.639 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.991 3.101 -0.009 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.337 3.863 4.658 1.00 0.00 H new ATOM 0 HE2 PHE A 90 9.732 1.698 1.009 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.409 2.078 3.345 1.00 0.00 H new ATOM 1315 N LYS A 91 9.276 7.294 1.222 1.00 0.00 N ATOM 1316 CA LYS A 91 10.615 7.524 0.695 1.00 0.00 C ATOM 1317 C LYS A 91 11.415 6.227 0.712 1.00 0.00 C ATOM 1318 O LYS A 91 12.054 5.891 1.710 1.00 0.00 O ATOM 1319 CB LYS A 91 11.333 8.602 1.509 1.00 0.00 C ATOM 1320 CG LYS A 91 12.722 8.932 0.986 1.00 0.00 C ATOM 1321 CD LYS A 91 13.395 10.000 1.832 1.00 0.00 C ATOM 1322 CE LYS A 91 14.771 10.351 1.291 1.00 0.00 C ATOM 1323 NZ LYS A 91 14.702 10.900 -0.092 1.00 0.00 N ATOM 0 H LYS A 91 9.170 7.501 2.215 1.00 0.00 H new ATOM 0 HA LYS A 91 10.529 7.870 -0.335 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.728 9.509 1.509 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.412 8.272 2.545 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.334 8.030 0.982 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.652 9.275 -0.046 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.772 10.894 1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.485 9.649 2.860 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.244 11.081 1.948 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.401 9.462 1.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.611 11.343 -0.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.502 10.130 -0.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.945 11.611 -0.146 1.00 0.00 H new ATOM 1337 N LEU A 92 11.360 5.494 -0.394 1.00 0.00 N ATOM 1338 CA LEU A 92 12.063 4.222 -0.509 1.00 0.00 C ATOM 1339 C LEU A 92 13.575 4.419 -0.455 1.00 0.00 C ATOM 1340 O LEU A 92 14.133 5.228 -1.197 1.00 0.00 O ATOM 1341 CB LEU A 92 11.675 3.525 -1.814 1.00 0.00 C ATOM 1342 CG LEU A 92 12.188 2.092 -1.961 1.00 0.00 C ATOM 1343 CD1 LEU A 92 11.531 1.184 -0.934 1.00 0.00 C ATOM 1344 CD2 LEU A 92 11.933 1.577 -3.368 1.00 0.00 C ATOM 0 H LEU A 92 10.834 5.760 -1.226 1.00 0.00 H new ATOM 0 HA LEU A 92 11.771 3.598 0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 92 10.588 3.515 -1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.050 4.116 -2.649 1.00 0.00 H new ATOM 0 HG LEU A 92 13.264 2.091 -1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.907 0.168 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.763 1.542 0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.451 1.190 -1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.304 0.556 -3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.862 1.592 -3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.449 2.213 -4.087 1.00 0.00 H new ATOM 1356 N LEU A 93 14.232 3.667 0.424 1.00 0.00 N ATOM 1357 CA LEU A 93 15.679 3.750 0.574 1.00 0.00 C ATOM 1358 C LEU A 93 16.390 2.948 -0.512 1.00 0.00 C ATOM 1359 O LEU A 93 15.989 1.828 -0.834 1.00 0.00 O ATOM 1360 CB LEU A 93 16.103 3.247 1.958 1.00 0.00 C ATOM 1361 CG LEU A 93 15.492 4.006 3.141 1.00 0.00 C ATOM 1362 CD1 LEU A 93 16.011 3.448 4.457 1.00 0.00 C ATOM 1363 CD2 LEU A 93 15.792 5.495 3.037 1.00 0.00 C ATOM 0 H LEU A 93 13.783 2.993 1.044 1.00 0.00 H new ATOM 0 HA LEU A 93 15.967 4.796 0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 93 15.833 2.194 2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 93 17.189 3.305 2.031 1.00 0.00 H new ATOM 0 HG LEU A 93 14.411 3.872 3.112 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.567 3.999 5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.743 2.394 4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 93 17.096 3.550 4.493 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.349 6.016 3.886 1.00 0.00 H new ATOM 0 HD22 LEU A 93 16.871 5.650 3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.371 5.887 2.111 1.00 0.00 H new ATOM 1375 N LYS A 94 17.447 3.528 -1.072 1.00 0.00 N ATOM 1376 CA LYS A 94 18.219 2.871 -2.122 1.00 0.00 C ATOM 1377 C LYS A 94 18.890 1.604 -1.592 1.00 0.00 C ATOM 1378 O LYS A 94 19.470 1.612 -0.506 1.00 0.00 O ATOM 1379 CB LYS A 94 19.278 3.827 -2.681 1.00 0.00 C ATOM 1380 CG LYS A 94 20.164 3.204 -3.750 1.00 0.00 C ATOM 1381 CD LYS A 94 21.200 4.187 -4.280 1.00 0.00 C ATOM 1382 CE LYS A 94 20.570 5.271 -5.146 1.00 0.00 C ATOM 1383 NZ LYS A 94 19.665 6.164 -4.371 1.00 0.00 N ATOM 0 H LYS A 94 17.789 4.454 -0.816 1.00 0.00 H new ATOM 0 HA LYS A 94 17.533 2.591 -2.922 1.00 0.00 H new ATOM 0 HB2 LYS A 94 18.780 4.702 -3.099 1.00 0.00 H new ATOM 0 HB3 LYS A 94 19.905 4.179 -1.862 1.00 0.00 H new ATOM 0 HG2 LYS A 94 20.671 2.332 -3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 94 19.544 2.852 -4.574 1.00 0.00 H new ATOM 0 HD2 LYS A 94 21.722 4.650 -3.442 1.00 0.00 H new ATOM 0 HD3 LYS A 94 21.947 3.647 -4.862 1.00 0.00 H new ATOM 0 HE2 LYS A 94 21.358 5.868 -5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 94 20.009 4.805 -5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 19.779 7.144 -4.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 18.679 5.865 -4.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 19.904 6.108 -3.360 1.00 0.00 H new ATOM 1397 N PRO A 95 18.816 0.494 -2.351 1.00 0.00 N ATOM 1398 CA PRO A 95 19.420 -0.782 -1.944 1.00 0.00 C ATOM 1399 C PRO A 95 20.903 -0.652 -1.629 1.00 0.00 C ATOM 1400 O PRO A 95 21.668 -0.087 -2.412 1.00 0.00 O ATOM 1401 CB PRO A 95 19.224 -1.676 -3.169 1.00 0.00 C ATOM 1402 CG PRO A 95 18.049 -1.097 -3.874 1.00 0.00 C ATOM 1403 CD PRO A 95 18.139 0.388 -3.658 1.00 0.00 C ATOM 0 HA PRO A 95 18.964 -1.168 -1.032 1.00 0.00 H new ATOM 0 HB2 PRO A 95 20.108 -1.675 -3.806 1.00 0.00 H new ATOM 0 HB3 PRO A 95 19.042 -2.711 -2.879 1.00 0.00 H new ATOM 0 HG2 PRO A 95 18.070 -1.341 -4.936 1.00 0.00 H new ATOM 0 HG3 PRO A 95 17.117 -1.495 -3.474 1.00 0.00 H new ATOM 0 HD2 PRO A 95 18.709 0.877 -4.448 1.00 0.00 H new ATOM 0 HD3 PRO A 95 17.154 0.854 -3.641 1.00 0.00 H new