USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 674 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 14 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.46) USER MOD Set 1.2: A 77 TYR OH : rot -73:sc= 0 USER MOD Set 2.1: A 23 THR OG1 : rot 180:sc= -0.0105 USER MOD Set 2.2: A 33 GLN : amide:sc= 0.0643 X(o=0.12,f=-0.025) USER MOD Set 2.3: A 34 SER OG : rot -55:sc= 0.063 USER MOD Set 3.1: A 15 LYS NZ :NH3+ 166:sc= 0 (180deg=0) USER MOD Set 3.2: A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 1 GLY N :NH3+ -124:sc= 0.0548 (180deg=0) USER MOD Set 4.2: A 4 MET CE :methyl 179:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HE2:sc= 0.453 K(o=0.45,f=-1.6!) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 CYS SG : rot 42:sc= -0.0306 USER MOD Single : A 18 ASN : amide:sc= -0.258 K(o=-0.26,f=-2.1!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.199 X(o=-0.2,f=-0.017) USER MOD Single : A 48 THR OG1 : rot 62:sc= 0.998 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0.456 K(o=0.46,f=-4.5!) USER MOD Single : A 58 THR OG1 : rot 79:sc= 0.335 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.042 X(o=-0.042,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.228 K(o=-0.23,f=-2.2!) USER MOD Single : A 65 HIS : no HE2:sc= -1.66 K(o=-1.7,f=-4.7!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -41:sc= 0.994 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -130:sc= -0.993 USER MOD Single : A 83 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.5) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0888 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.246 10.071 -15.689 1.00 0.00 N ATOM 2 CA GLY A 1 9.866 8.756 -15.368 1.00 0.00 C ATOM 3 C GLY A 1 9.689 8.371 -13.912 1.00 0.00 C ATOM 4 O GLY A 1 8.840 8.927 -13.214 1.00 0.00 O ATOM 0 H1 GLY A 1 8.567 9.954 -16.468 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.751 10.435 -14.850 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.986 10.744 -15.973 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.425 7.986 -16.000 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.929 8.792 -15.604 1.00 0.00 H new ATOM 10 N SER A 2 10.492 7.417 -13.452 1.00 0.00 N ATOM 11 CA SER A 2 10.421 6.959 -12.070 1.00 0.00 C ATOM 12 C SER A 2 11.803 6.954 -11.425 1.00 0.00 C ATOM 13 O SER A 2 12.106 6.101 -10.590 1.00 0.00 O ATOM 14 CB SER A 2 9.811 5.557 -12.006 1.00 0.00 C ATOM 15 OG SER A 2 8.417 5.595 -12.258 1.00 0.00 O ATOM 0 H SER A 2 11.199 6.946 -14.016 1.00 0.00 H new ATOM 0 HA SER A 2 9.785 7.651 -11.518 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.298 4.911 -12.737 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.994 5.122 -11.024 1.00 0.00 H new ATOM 0 HG SER A 2 8.052 4.687 -12.213 1.00 0.00 H new ATOM 21 N HIS A 3 12.637 7.910 -11.818 1.00 0.00 N ATOM 22 CA HIS A 3 13.987 8.016 -11.278 1.00 0.00 C ATOM 23 C HIS A 3 14.511 9.444 -11.397 1.00 0.00 C ATOM 24 O HIS A 3 15.236 9.775 -12.337 1.00 0.00 O ATOM 25 CB HIS A 3 14.926 7.047 -12.002 1.00 0.00 C ATOM 26 CG HIS A 3 15.590 6.064 -11.087 1.00 0.00 C ATOM 27 ND1 HIS A 3 14.889 5.229 -10.244 1.00 0.00 N ATOM 28 CD2 HIS A 3 16.901 5.785 -10.888 1.00 0.00 C ATOM 29 CE1 HIS A 3 15.739 4.480 -9.564 1.00 0.00 C ATOM 30 NE2 HIS A 3 16.966 4.796 -9.937 1.00 0.00 N ATOM 0 H HIS A 3 12.402 8.623 -12.509 1.00 0.00 H new ATOM 0 HA HIS A 3 13.952 7.752 -10.221 1.00 0.00 H new ATOM 0 HB2 HIS A 3 14.361 6.503 -12.759 1.00 0.00 H new ATOM 0 HB3 HIS A 3 15.692 7.619 -12.526 1.00 0.00 H new ATOM 0 HD1 HIS A 3 13.873 5.195 -10.158 1.00 0.00 H new ATOM 0 HD2 HIS A 3 17.738 6.253 -11.384 1.00 0.00 H new ATOM 0 HE1 HIS A 3 15.475 3.735 -8.828 1.00 0.00 H new ATOM 39 N MET A 4 14.141 10.287 -10.438 1.00 0.00 N ATOM 40 CA MET A 4 14.573 11.679 -10.436 1.00 0.00 C ATOM 41 C MET A 4 14.386 12.303 -9.057 1.00 0.00 C ATOM 42 O MET A 4 15.289 12.954 -8.531 1.00 0.00 O ATOM 43 CB MET A 4 13.793 12.480 -11.480 1.00 0.00 C ATOM 44 CG MET A 4 14.377 12.383 -12.881 1.00 0.00 C ATOM 45 SD MET A 4 13.391 11.342 -13.976 1.00 0.00 S ATOM 46 CE MET A 4 12.272 12.554 -14.676 1.00 0.00 C ATOM 0 H MET A 4 13.543 10.030 -9.653 1.00 0.00 H new ATOM 0 HA MET A 4 15.633 11.704 -10.687 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.762 12.128 -11.500 1.00 0.00 H new ATOM 0 HB3 MET A 4 13.767 13.527 -11.178 1.00 0.00 H new ATOM 0 HG2 MET A 4 14.453 13.383 -13.308 1.00 0.00 H new ATOM 0 HG3 MET A 4 15.389 11.984 -12.821 1.00 0.00 H new ATOM 0 HE1 MET A 4 11.608 12.066 -15.389 1.00 0.00 H new ATOM 0 HE2 MET A 4 11.681 13.006 -13.880 1.00 0.00 H new ATOM 0 HE3 MET A 4 12.846 13.328 -15.185 1.00 0.00 H new ATOM 56 N GLY A 5 13.208 12.100 -8.476 1.00 0.00 N ATOM 57 CA GLY A 5 12.924 12.649 -7.162 1.00 0.00 C ATOM 58 C GLY A 5 11.730 11.987 -6.503 1.00 0.00 C ATOM 59 O GLY A 5 11.826 11.500 -5.377 1.00 0.00 O ATOM 0 H GLY A 5 12.445 11.565 -8.891 1.00 0.00 H new ATOM 0 HA2 GLY A 5 13.800 12.529 -6.524 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.739 13.719 -7.251 1.00 0.00 H new ATOM 63 N LEU A 6 10.601 11.971 -7.204 1.00 0.00 N ATOM 64 CA LEU A 6 9.383 11.365 -6.680 1.00 0.00 C ATOM 65 C LEU A 6 8.982 10.146 -7.503 1.00 0.00 C ATOM 66 O LEU A 6 8.553 10.274 -8.650 1.00 0.00 O ATOM 67 CB LEU A 6 8.244 12.386 -6.670 1.00 0.00 C ATOM 68 CG LEU A 6 8.513 13.649 -5.848 1.00 0.00 C ATOM 69 CD1 LEU A 6 9.047 14.761 -6.739 1.00 0.00 C ATOM 70 CD2 LEU A 6 7.249 14.099 -5.130 1.00 0.00 C ATOM 0 H LEU A 6 10.505 12.371 -8.137 1.00 0.00 H new ATOM 0 HA LEU A 6 9.580 11.040 -5.658 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.030 12.679 -7.698 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.347 11.903 -6.283 1.00 0.00 H new ATOM 0 HG LEU A 6 9.269 13.417 -5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.233 15.651 -6.138 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.977 14.438 -7.206 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.314 14.991 -7.512 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.460 14.998 -4.551 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.471 14.314 -5.863 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.909 13.308 -4.461 1.00 0.00 H new ATOM 82 N VAL A 7 9.124 8.965 -6.911 1.00 0.00 N ATOM 83 CA VAL A 7 8.775 7.723 -7.590 1.00 0.00 C ATOM 84 C VAL A 7 7.496 7.123 -7.015 1.00 0.00 C ATOM 85 O VAL A 7 7.328 7.046 -5.798 1.00 0.00 O ATOM 86 CB VAL A 7 9.907 6.686 -7.483 1.00 0.00 C ATOM 87 CG1 VAL A 7 11.143 7.166 -8.229 1.00 0.00 C ATOM 88 CG2 VAL A 7 10.233 6.399 -6.025 1.00 0.00 C ATOM 0 H VAL A 7 9.478 8.842 -5.962 1.00 0.00 H new ATOM 0 HA VAL A 7 8.618 7.971 -8.640 1.00 0.00 H new ATOM 0 HB VAL A 7 9.570 5.758 -7.945 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.933 6.420 -8.142 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.898 7.315 -9.281 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.485 8.108 -7.799 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.036 5.664 -5.970 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.550 7.320 -5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.347 6.008 -5.524 1.00 0.00 H new ATOM 98 N GLN A 8 6.597 6.700 -7.898 1.00 0.00 N ATOM 99 CA GLN A 8 5.333 6.106 -7.478 1.00 0.00 C ATOM 100 C GLN A 8 5.105 4.768 -8.173 1.00 0.00 C ATOM 101 O GLN A 8 5.379 4.620 -9.363 1.00 0.00 O ATOM 102 CB GLN A 8 4.174 7.058 -7.782 1.00 0.00 C ATOM 103 CG GLN A 8 4.115 7.501 -9.234 1.00 0.00 C ATOM 104 CD GLN A 8 3.913 8.997 -9.380 1.00 0.00 C ATOM 105 OE1 GLN A 8 4.867 9.747 -9.587 1.00 0.00 O ATOM 106 NE2 GLN A 8 2.666 9.439 -9.273 1.00 0.00 N ATOM 0 H GLN A 8 6.720 6.758 -8.909 1.00 0.00 H new ATOM 0 HA GLN A 8 5.379 5.933 -6.403 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.235 6.569 -7.522 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.262 7.939 -7.146 1.00 0.00 H new ATOM 0 HG2 GLN A 8 5.039 7.212 -9.736 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.302 6.978 -9.737 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.905 8.782 -9.101 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.469 10.436 -9.363 1.00 0.00 H new ATOM 115 N ARG A 9 4.601 3.794 -7.420 1.00 0.00 N ATOM 116 CA ARG A 9 4.335 2.469 -7.965 1.00 0.00 C ATOM 117 C ARG A 9 2.974 1.954 -7.508 1.00 0.00 C ATOM 118 O ARG A 9 2.504 2.291 -6.422 1.00 0.00 O ATOM 119 CB ARG A 9 5.433 1.491 -7.541 1.00 0.00 C ATOM 120 CG ARG A 9 5.802 0.485 -8.620 1.00 0.00 C ATOM 121 CD ARG A 9 6.597 1.138 -9.740 1.00 0.00 C ATOM 122 NE ARG A 9 7.914 1.581 -9.287 1.00 0.00 N ATOM 123 CZ ARG A 9 8.925 1.854 -10.109 1.00 0.00 C ATOM 124 NH1 ARG A 9 8.776 1.729 -11.423 1.00 0.00 N ATOM 125 NH2 ARG A 9 10.091 2.251 -9.617 1.00 0.00 N ATOM 0 H ARG A 9 4.369 3.899 -6.432 1.00 0.00 H new ATOM 0 HA ARG A 9 4.326 2.546 -9.052 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.323 2.055 -7.263 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.105 0.953 -6.651 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.386 -0.324 -8.181 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.895 0.038 -9.028 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.714 0.431 -10.562 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.041 1.991 -10.130 1.00 0.00 H new ATOM 0 HE ARG A 9 8.067 1.687 -8.284 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.883 1.422 -11.808 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.555 1.940 -12.047 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.213 2.347 -8.609 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.866 2.460 -10.247 1.00 0.00 H new ATOM 139 N CYS A 10 2.347 1.135 -8.347 1.00 0.00 N ATOM 140 CA CYS A 10 1.039 0.574 -8.031 1.00 0.00 C ATOM 141 C CYS A 10 1.171 -0.852 -7.503 1.00 0.00 C ATOM 142 O CYS A 10 1.421 -1.785 -8.267 1.00 0.00 O ATOM 143 CB CYS A 10 0.141 0.590 -9.269 1.00 0.00 C ATOM 144 SG CYS A 10 0.857 -0.233 -10.711 1.00 0.00 S ATOM 0 H CYS A 10 2.724 0.846 -9.250 1.00 0.00 H new ATOM 0 HA CYS A 10 0.586 1.190 -7.254 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.807 0.110 -9.024 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.083 1.625 -9.529 1.00 0.00 H new ATOM 0 HG CYS A 10 1.441 -1.333 -10.337 1.00 0.00 H new ATOM 150 N VAL A 11 1.003 -1.012 -6.196 1.00 0.00 N ATOM 151 CA VAL A 11 1.103 -2.323 -5.566 1.00 0.00 C ATOM 152 C VAL A 11 -0.227 -3.069 -5.630 1.00 0.00 C ATOM 153 O VAL A 11 -1.218 -2.639 -5.040 1.00 0.00 O ATOM 154 CB VAL A 11 1.551 -2.209 -4.094 1.00 0.00 C ATOM 155 CG1 VAL A 11 0.527 -1.436 -3.277 1.00 0.00 C ATOM 156 CG2 VAL A 11 1.787 -3.589 -3.499 1.00 0.00 C ATOM 0 H VAL A 11 0.797 -0.249 -5.551 1.00 0.00 H new ATOM 0 HA VAL A 11 1.855 -2.884 -6.122 1.00 0.00 H new ATOM 0 HB VAL A 11 2.492 -1.659 -4.064 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.863 -1.368 -2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.415 -0.433 -3.689 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.432 -1.952 -3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.102 -3.488 -2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.864 -4.167 -3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.564 -4.102 -4.066 1.00 0.00 H new ATOM 166 N ILE A 12 -0.240 -4.184 -6.351 1.00 0.00 N ATOM 167 CA ILE A 12 -1.449 -4.989 -6.490 1.00 0.00 C ATOM 168 C ILE A 12 -1.561 -6.010 -5.364 1.00 0.00 C ATOM 169 O ILE A 12 -0.927 -7.065 -5.403 1.00 0.00 O ATOM 170 CB ILE A 12 -1.479 -5.727 -7.843 1.00 0.00 C ATOM 171 CG1 ILE A 12 -1.171 -4.758 -8.985 1.00 0.00 C ATOM 172 CG2 ILE A 12 -2.832 -6.391 -8.054 1.00 0.00 C ATOM 173 CD1 ILE A 12 -2.134 -3.594 -9.066 1.00 0.00 C ATOM 0 H ILE A 12 0.571 -4.551 -6.848 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.294 -4.303 -6.440 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.713 -6.502 -7.834 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.159 -4.374 -8.861 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.192 -5.303 -9.929 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.838 -6.908 -9.014 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.014 -7.109 -7.254 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.615 -5.633 -8.046 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.855 -2.948 -9.899 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.146 -3.969 -9.221 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.096 -3.025 -8.137 1.00 0.00 H new ATOM 185 N ILE A 13 -2.375 -5.691 -4.362 1.00 0.00 N ATOM 186 CA ILE A 13 -2.571 -6.582 -3.225 1.00 0.00 C ATOM 187 C ILE A 13 -3.667 -7.602 -3.510 1.00 0.00 C ATOM 188 O ILE A 13 -4.842 -7.249 -3.631 1.00 0.00 O ATOM 189 CB ILE A 13 -2.936 -5.796 -1.950 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.976 -4.621 -1.756 1.00 0.00 C ATOM 191 CG2 ILE A 13 -2.912 -6.713 -0.738 1.00 0.00 C ATOM 192 CD1 ILE A 13 -2.371 -3.699 -0.624 1.00 0.00 C ATOM 0 H ILE A 13 -2.909 -4.823 -4.315 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.626 -7.102 -3.064 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.946 -5.400 -2.061 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.975 -5.008 -1.566 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.926 -4.047 -2.681 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.172 -6.143 0.154 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.633 -7.519 -0.877 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.914 -7.135 -0.621 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.646 -2.889 -0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -3.359 -3.283 -0.821 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.393 -4.259 0.311 1.00 0.00 H new ATOM 204 N GLN A 14 -3.278 -8.868 -3.615 1.00 0.00 N ATOM 205 CA GLN A 14 -4.228 -9.941 -3.885 1.00 0.00 C ATOM 206 C GLN A 14 -4.552 -10.714 -2.611 1.00 0.00 C ATOM 207 O GLN A 14 -3.656 -11.113 -1.869 1.00 0.00 O ATOM 208 CB GLN A 14 -3.669 -10.892 -4.944 1.00 0.00 C ATOM 209 CG GLN A 14 -4.724 -11.430 -5.898 1.00 0.00 C ATOM 210 CD GLN A 14 -4.912 -12.929 -5.776 1.00 0.00 C ATOM 211 OE1 GLN A 14 -6.025 -13.410 -5.556 1.00 0.00 O ATOM 212 NE2 GLN A 14 -3.823 -13.676 -5.916 1.00 0.00 N ATOM 0 H GLN A 14 -2.311 -9.176 -3.517 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.148 -9.492 -4.260 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.903 -10.372 -5.519 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.180 -11.730 -4.446 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.673 -10.932 -5.702 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.441 -11.185 -6.922 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.922 -13.235 -6.097 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.888 -14.691 -5.842 1.00 0.00 H new ATOM 221 N LYS A 15 -5.842 -10.923 -2.364 1.00 0.00 N ATOM 222 CA LYS A 15 -6.285 -11.648 -1.179 1.00 0.00 C ATOM 223 C LYS A 15 -6.041 -13.146 -1.335 1.00 0.00 C ATOM 224 O LYS A 15 -6.574 -13.781 -2.245 1.00 0.00 O ATOM 225 CB LYS A 15 -7.771 -11.387 -0.921 1.00 0.00 C ATOM 226 CG LYS A 15 -8.304 -12.086 0.321 1.00 0.00 C ATOM 227 CD LYS A 15 -8.834 -11.092 1.341 1.00 0.00 C ATOM 228 CE LYS A 15 -10.015 -11.658 2.112 1.00 0.00 C ATOM 229 NZ LYS A 15 -9.606 -12.198 3.437 1.00 0.00 N ATOM 0 H LYS A 15 -6.598 -10.601 -2.968 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.706 -11.290 -0.328 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.931 -10.313 -0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.345 -11.715 -1.787 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.099 -12.776 0.038 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.511 -12.682 0.772 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.039 -10.825 2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.135 -10.175 0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.763 -10.878 2.253 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.485 -12.449 1.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.450 -12.354 4.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.104 -13.099 3.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.977 -11.518 3.910 1.00 0.00 H new ATOM 243 N ASP A 16 -5.233 -13.704 -0.440 1.00 0.00 N ATOM 244 CA ASP A 16 -4.917 -15.127 -0.478 1.00 0.00 C ATOM 245 C ASP A 16 -5.785 -15.903 0.509 1.00 0.00 C ATOM 246 O ASP A 16 -6.749 -15.366 1.057 1.00 0.00 O ATOM 247 CB ASP A 16 -3.438 -15.353 -0.160 1.00 0.00 C ATOM 248 CG ASP A 16 -2.528 -14.433 -0.953 1.00 0.00 C ATOM 249 OD1 ASP A 16 -2.723 -14.324 -2.182 1.00 0.00 O ATOM 250 OD2 ASP A 16 -1.624 -13.823 -0.345 1.00 0.00 O ATOM 0 H ASP A 16 -4.785 -13.193 0.320 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.124 -15.492 -1.484 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.270 -15.195 0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.178 -16.390 -0.374 1.00 0.00 H new ATOM 255 N ASP A 17 -5.438 -17.165 0.731 1.00 0.00 N ATOM 256 CA ASP A 17 -6.186 -18.015 1.653 1.00 0.00 C ATOM 257 C ASP A 17 -6.214 -17.406 3.052 1.00 0.00 C ATOM 258 O ASP A 17 -7.171 -17.594 3.803 1.00 0.00 O ATOM 259 CB ASP A 17 -5.571 -19.415 1.703 1.00 0.00 C ATOM 260 CG ASP A 17 -6.623 -20.505 1.759 1.00 0.00 C ATOM 261 OD1 ASP A 17 -7.484 -20.547 0.854 1.00 0.00 O ATOM 262 OD2 ASP A 17 -6.587 -21.317 2.707 1.00 0.00 O ATOM 0 H ASP A 17 -4.643 -17.624 0.286 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.211 -18.091 1.289 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.943 -19.565 0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -4.923 -19.494 2.576 1.00 0.00 H new ATOM 267 N ASN A 18 -5.158 -16.676 3.395 1.00 0.00 N ATOM 268 CA ASN A 18 -5.060 -16.041 4.705 1.00 0.00 C ATOM 269 C ASN A 18 -5.664 -14.640 4.675 1.00 0.00 C ATOM 270 O ASN A 18 -6.316 -14.213 5.628 1.00 0.00 O ATOM 271 CB ASN A 18 -3.601 -15.968 5.154 1.00 0.00 C ATOM 272 CG ASN A 18 -2.881 -17.293 4.992 1.00 0.00 C ATOM 273 OD1 ASN A 18 -2.688 -17.778 3.878 1.00 0.00 O ATOM 274 ND2 ASN A 18 -2.477 -17.886 6.110 1.00 0.00 N ATOM 0 H ASN A 18 -4.358 -16.509 2.785 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.621 -16.647 5.417 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.083 -15.203 4.576 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.560 -15.660 6.199 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.986 -18.779 6.065 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.658 -17.448 7.013 1.00 0.00 H new ATOM 281 N GLY A 19 -5.444 -13.930 3.573 1.00 0.00 N ATOM 282 CA GLY A 19 -5.972 -12.585 3.438 1.00 0.00 C ATOM 283 C GLY A 19 -4.882 -11.530 3.442 1.00 0.00 C ATOM 284 O GLY A 19 -3.701 -11.850 3.581 1.00 0.00 O ATOM 0 H GLY A 19 -4.909 -14.262 2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.540 -12.512 2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.667 -12.388 4.254 1.00 0.00 H new ATOM 288 N PHE A 20 -5.279 -10.272 3.290 1.00 0.00 N ATOM 289 CA PHE A 20 -4.326 -9.167 3.276 1.00 0.00 C ATOM 290 C PHE A 20 -3.549 -9.103 4.586 1.00 0.00 C ATOM 291 O PHE A 20 -4.112 -8.812 5.642 1.00 0.00 O ATOM 292 CB PHE A 20 -5.054 -7.841 3.036 1.00 0.00 C ATOM 293 CG PHE A 20 -5.768 -7.780 1.717 1.00 0.00 C ATOM 294 CD1 PHE A 20 -5.154 -8.225 0.558 1.00 0.00 C ATOM 295 CD2 PHE A 20 -7.058 -7.276 1.636 1.00 0.00 C ATOM 296 CE1 PHE A 20 -5.809 -8.170 -0.657 1.00 0.00 C ATOM 297 CE2 PHE A 20 -7.718 -7.216 0.423 1.00 0.00 C ATOM 298 CZ PHE A 20 -7.093 -7.664 -0.724 1.00 0.00 C ATOM 0 H PHE A 20 -6.253 -9.991 3.175 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.620 -9.339 2.463 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.775 -7.681 3.838 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.333 -7.025 3.088 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.150 -8.620 0.605 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.552 -6.927 2.531 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.319 -8.522 -1.553 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -8.721 -6.819 0.372 1.00 0.00 H new ATOM 0 HZ PHE A 20 -7.607 -7.619 -1.673 1.00 0.00 H new ATOM 308 N GLY A 21 -2.250 -9.378 4.512 1.00 0.00 N ATOM 309 CA GLY A 21 -1.416 -9.347 5.698 1.00 0.00 C ATOM 310 C GLY A 21 -0.938 -7.948 6.036 1.00 0.00 C ATOM 311 O GLY A 21 -0.918 -7.557 7.203 1.00 0.00 O ATOM 0 H GLY A 21 -1.761 -9.622 3.651 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.975 -9.750 6.542 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.553 -9.996 5.548 1.00 0.00 H new ATOM 315 N LEU A 22 -0.550 -7.193 5.012 1.00 0.00 N ATOM 316 CA LEU A 22 -0.065 -5.829 5.203 1.00 0.00 C ATOM 317 C LEU A 22 -1.034 -5.013 6.055 1.00 0.00 C ATOM 318 O LEU A 22 -2.248 -5.210 6.000 1.00 0.00 O ATOM 319 CB LEU A 22 0.159 -5.144 3.848 1.00 0.00 C ATOM 320 CG LEU A 22 -1.108 -4.771 3.061 1.00 0.00 C ATOM 321 CD1 LEU A 22 -2.091 -5.930 3.029 1.00 0.00 C ATOM 322 CD2 LEU A 22 -1.758 -3.528 3.650 1.00 0.00 C ATOM 0 H LEU A 22 -0.562 -7.503 4.040 1.00 0.00 H new ATOM 0 HA LEU A 22 0.887 -5.883 5.731 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.739 -4.236 4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.767 -5.802 3.227 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.816 -4.551 2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.978 -5.639 2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.623 -6.791 2.550 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.377 -6.192 4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.653 -3.280 3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.031 -3.717 4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.057 -2.695 3.605 1.00 0.00 H new ATOM 334 N THR A 23 -0.486 -4.094 6.845 1.00 0.00 N ATOM 335 CA THR A 23 -1.298 -3.247 7.710 1.00 0.00 C ATOM 336 C THR A 23 -1.160 -1.780 7.316 1.00 0.00 C ATOM 337 O THR A 23 -0.110 -1.351 6.837 1.00 0.00 O ATOM 338 CB THR A 23 -0.889 -3.434 9.173 1.00 0.00 C ATOM 339 OG1 THR A 23 -0.311 -4.711 9.370 1.00 0.00 O ATOM 340 CG2 THR A 23 -2.046 -3.298 10.139 1.00 0.00 C ATOM 0 H THR A 23 0.517 -3.918 6.903 1.00 0.00 H new ATOM 0 HA THR A 23 -2.341 -3.542 7.591 1.00 0.00 H new ATOM 0 HB THR A 23 -0.171 -2.640 9.378 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.054 -4.812 10.310 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.688 -3.442 11.158 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.484 -2.304 10.045 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.801 -4.050 9.910 1.00 0.00 H new ATOM 348 N VAL A 24 -2.227 -1.014 7.523 1.00 0.00 N ATOM 349 CA VAL A 24 -2.223 0.405 7.188 1.00 0.00 C ATOM 350 C VAL A 24 -2.843 1.233 8.308 1.00 0.00 C ATOM 351 O VAL A 24 -3.840 0.835 8.909 1.00 0.00 O ATOM 352 CB VAL A 24 -2.990 0.676 5.880 1.00 0.00 C ATOM 353 CG1 VAL A 24 -2.279 0.034 4.700 1.00 0.00 C ATOM 354 CG2 VAL A 24 -4.421 0.173 5.987 1.00 0.00 C ATOM 0 H VAL A 24 -3.104 -1.352 7.920 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.181 0.697 7.056 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.019 1.753 5.714 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.836 0.237 3.785 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.274 0.447 4.612 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.216 -1.043 4.855 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.948 0.373 5.054 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.416 -0.900 6.178 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.926 0.685 6.806 1.00 0.00 H new ATOM 364 N SER A 25 -2.247 2.389 8.581 1.00 0.00 N ATOM 365 CA SER A 25 -2.742 3.274 9.629 1.00 0.00 C ATOM 366 C SER A 25 -2.449 4.731 9.292 1.00 0.00 C ATOM 367 O SER A 25 -1.327 5.079 8.921 1.00 0.00 O ATOM 368 CB SER A 25 -2.109 2.912 10.975 1.00 0.00 C ATOM 369 OG SER A 25 -2.910 3.366 12.053 1.00 0.00 O ATOM 0 H SER A 25 -1.421 2.735 8.092 1.00 0.00 H new ATOM 0 HA SER A 25 -3.822 3.145 9.698 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.982 1.832 11.042 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.115 3.355 11.044 1.00 0.00 H new ATOM 0 HG SER A 25 -2.485 3.121 12.902 1.00 0.00 H new ATOM 375 N GLY A 26 -3.462 5.581 9.426 1.00 0.00 N ATOM 376 CA GLY A 26 -3.290 6.992 9.133 1.00 0.00 C ATOM 377 C GLY A 26 -4.479 7.824 9.568 1.00 0.00 C ATOM 378 O GLY A 26 -5.556 7.737 8.978 1.00 0.00 O ATOM 0 H GLY A 26 -4.399 5.318 9.732 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.393 7.357 9.633 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.133 7.121 8.062 1.00 0.00 H new ATOM 382 N ASP A 27 -4.285 8.634 10.604 1.00 0.00 N ATOM 383 CA ASP A 27 -5.351 9.487 11.117 1.00 0.00 C ATOM 384 C ASP A 27 -5.881 10.411 10.024 1.00 0.00 C ATOM 385 O ASP A 27 -7.017 10.270 9.575 1.00 0.00 O ATOM 386 CB ASP A 27 -4.846 10.314 12.301 1.00 0.00 C ATOM 387 CG ASP A 27 -4.295 9.448 13.418 1.00 0.00 C ATOM 388 OD1 ASP A 27 -4.992 8.499 13.831 1.00 0.00 O ATOM 389 OD2 ASP A 27 -3.165 9.719 13.877 1.00 0.00 O ATOM 0 H ASP A 27 -3.400 8.718 11.104 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.166 8.846 11.453 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.069 10.998 11.958 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.661 10.926 12.688 1.00 0.00 H new ATOM 394 N ASN A 28 -5.047 11.355 9.600 1.00 0.00 N ATOM 395 CA ASN A 28 -5.431 12.298 8.556 1.00 0.00 C ATOM 396 C ASN A 28 -5.080 11.753 7.173 1.00 0.00 C ATOM 397 O ASN A 28 -5.929 11.715 6.282 1.00 0.00 O ATOM 398 CB ASN A 28 -4.746 13.650 8.778 1.00 0.00 C ATOM 399 CG ASN A 28 -5.680 14.818 8.530 1.00 0.00 C ATOM 400 OD1 ASN A 28 -6.680 14.987 9.227 1.00 0.00 O ATOM 401 ND2 ASN A 28 -5.357 15.632 7.532 1.00 0.00 N ATOM 0 H ASN A 28 -4.103 11.487 9.962 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.511 12.437 8.607 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.369 13.700 9.800 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.884 13.731 8.116 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.948 16.435 7.318 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.518 15.454 6.980 1.00 0.00 H new ATOM 408 N PRO A 29 -3.821 11.322 6.971 1.00 0.00 N ATOM 409 CA PRO A 29 -3.362 10.781 5.697 1.00 0.00 C ATOM 410 C PRO A 29 -3.677 9.296 5.555 1.00 0.00 C ATOM 411 O PRO A 29 -4.528 8.760 6.264 1.00 0.00 O ATOM 412 CB PRO A 29 -1.840 11.005 5.735 1.00 0.00 C ATOM 413 CG PRO A 29 -1.521 11.542 7.101 1.00 0.00 C ATOM 414 CD PRO A 29 -2.740 11.325 7.956 1.00 0.00 C ATOM 0 HA PRO A 29 -3.853 11.262 4.851 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.306 10.073 5.550 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -1.532 11.707 4.961 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.657 11.030 7.524 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.270 12.601 7.050 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.689 10.385 8.505 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.865 12.118 8.693 1.00 0.00 H new ATOM 422 N VAL A 30 -2.981 8.635 4.633 1.00 0.00 N ATOM 423 CA VAL A 30 -3.181 7.211 4.396 1.00 0.00 C ATOM 424 C VAL A 30 -1.896 6.558 3.903 1.00 0.00 C ATOM 425 O VAL A 30 -1.569 6.626 2.718 1.00 0.00 O ATOM 426 CB VAL A 30 -4.299 6.959 3.366 1.00 0.00 C ATOM 427 CG1 VAL A 30 -4.704 5.491 3.361 1.00 0.00 C ATOM 428 CG2 VAL A 30 -5.501 7.852 3.649 1.00 0.00 C ATOM 0 H VAL A 30 -2.273 9.065 4.038 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.474 6.769 5.348 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.916 7.208 2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.494 5.334 2.627 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.842 4.877 3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.066 5.210 4.350 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.279 7.659 2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.886 7.639 4.646 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.199 8.898 3.593 1.00 0.00 H new ATOM 438 N PHE A 31 -1.164 5.933 4.819 1.00 0.00 N ATOM 439 CA PHE A 31 0.091 5.274 4.475 1.00 0.00 C ATOM 440 C PHE A 31 0.171 3.884 5.097 1.00 0.00 C ATOM 441 O PHE A 31 -0.387 3.637 6.165 1.00 0.00 O ATOM 442 CB PHE A 31 1.275 6.121 4.942 1.00 0.00 C ATOM 443 CG PHE A 31 1.284 6.376 6.423 1.00 0.00 C ATOM 444 CD1 PHE A 31 1.830 5.447 7.294 1.00 0.00 C ATOM 445 CD2 PHE A 31 0.742 7.540 6.942 1.00 0.00 C ATOM 446 CE1 PHE A 31 1.838 5.677 8.657 1.00 0.00 C ATOM 447 CE2 PHE A 31 0.748 7.776 8.304 1.00 0.00 C ATOM 448 CZ PHE A 31 1.297 6.842 9.162 1.00 0.00 C ATOM 0 H PHE A 31 -1.418 5.869 5.805 1.00 0.00 H new ATOM 0 HA PHE A 31 0.129 5.166 3.391 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.202 5.621 4.662 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.257 7.076 4.417 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.254 4.533 6.904 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.310 8.271 6.275 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.267 4.946 9.326 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.324 8.689 8.697 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.303 7.024 10.227 1.00 0.00 H new ATOM 458 N VAL A 32 0.875 2.979 4.421 1.00 0.00 N ATOM 459 CA VAL A 32 1.036 1.615 4.907 1.00 0.00 C ATOM 460 C VAL A 32 2.177 1.529 5.913 1.00 0.00 C ATOM 461 O VAL A 32 3.290 1.983 5.644 1.00 0.00 O ATOM 462 CB VAL A 32 1.310 0.634 3.751 1.00 0.00 C ATOM 463 CG1 VAL A 32 1.312 -0.801 4.255 1.00 0.00 C ATOM 464 CG2 VAL A 32 0.283 0.814 2.641 1.00 0.00 C ATOM 0 H VAL A 32 1.343 3.168 3.534 1.00 0.00 H new ATOM 0 HA VAL A 32 0.101 1.336 5.392 1.00 0.00 H new ATOM 0 HB VAL A 32 2.296 0.853 3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.507 -1.478 3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.089 -0.920 5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.341 -1.034 4.693 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.493 0.113 1.834 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.716 0.625 3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.335 1.833 2.259 1.00 0.00 H new ATOM 474 N GLN A 33 1.897 0.948 7.075 1.00 0.00 N ATOM 475 CA GLN A 33 2.900 0.809 8.124 1.00 0.00 C ATOM 476 C GLN A 33 3.621 -0.532 8.022 1.00 0.00 C ATOM 477 O GLN A 33 4.851 -0.590 8.049 1.00 0.00 O ATOM 478 CB GLN A 33 2.250 0.947 9.502 1.00 0.00 C ATOM 479 CG GLN A 33 3.249 0.963 10.647 1.00 0.00 C ATOM 480 CD GLN A 33 2.772 0.168 11.847 1.00 0.00 C ATOM 481 OE1 GLN A 33 3.196 -0.967 12.063 1.00 0.00 O ATOM 482 NE2 GLN A 33 1.883 0.764 12.635 1.00 0.00 N ATOM 0 H GLN A 33 0.982 0.565 7.314 1.00 0.00 H new ATOM 0 HA GLN A 33 3.634 1.604 7.993 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.665 1.866 9.528 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.553 0.122 9.650 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.199 0.557 10.301 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.434 1.994 10.949 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.559 1.706 12.417 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.524 0.279 13.458 1.00 0.00 H new ATOM 491 N SER A 34 2.850 -1.609 7.909 1.00 0.00 N ATOM 492 CA SER A 34 3.420 -2.948 7.808 1.00 0.00 C ATOM 493 C SER A 34 3.038 -3.609 6.487 1.00 0.00 C ATOM 494 O SER A 34 2.050 -3.234 5.855 1.00 0.00 O ATOM 495 CB SER A 34 2.947 -3.813 8.978 1.00 0.00 C ATOM 496 OG SER A 34 2.551 -3.014 10.078 1.00 0.00 O ATOM 0 H SER A 34 1.831 -1.581 7.885 1.00 0.00 H new ATOM 0 HA SER A 34 4.505 -2.856 7.844 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.112 -4.436 8.659 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.748 -4.486 9.284 1.00 0.00 H new ATOM 0 HG SER A 34 3.287 -2.418 10.331 1.00 0.00 H new ATOM 502 N VAL A 35 3.828 -4.596 6.077 1.00 0.00 N ATOM 503 CA VAL A 35 3.575 -5.312 4.833 1.00 0.00 C ATOM 504 C VAL A 35 3.756 -6.815 5.019 1.00 0.00 C ATOM 505 O VAL A 35 4.510 -7.256 5.886 1.00 0.00 O ATOM 506 CB VAL A 35 4.509 -4.831 3.706 1.00 0.00 C ATOM 507 CG1 VAL A 35 4.164 -3.406 3.298 1.00 0.00 C ATOM 508 CG2 VAL A 35 5.963 -4.932 4.139 1.00 0.00 C ATOM 0 H VAL A 35 4.649 -4.918 6.589 1.00 0.00 H new ATOM 0 HA VAL A 35 2.543 -5.103 4.553 1.00 0.00 H new ATOM 0 HB VAL A 35 4.366 -5.477 2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.834 -3.083 2.501 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.134 -3.368 2.944 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.277 -2.744 4.157 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.608 -4.588 3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.124 -4.312 5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.201 -5.969 4.377 1.00 0.00 H new ATOM 518 N LYS A 36 3.059 -7.596 4.201 1.00 0.00 N ATOM 519 CA LYS A 36 3.141 -9.049 4.277 1.00 0.00 C ATOM 520 C LYS A 36 4.372 -9.567 3.538 1.00 0.00 C ATOM 521 O LYS A 36 4.449 -9.487 2.311 1.00 0.00 O ATOM 522 CB LYS A 36 1.878 -9.686 3.693 1.00 0.00 C ATOM 523 CG LYS A 36 1.764 -11.176 3.969 1.00 0.00 C ATOM 524 CD LYS A 36 1.846 -11.477 5.458 1.00 0.00 C ATOM 525 CE LYS A 36 1.416 -12.901 5.764 1.00 0.00 C ATOM 526 NZ LYS A 36 -0.004 -12.970 6.207 1.00 0.00 N ATOM 0 H LYS A 36 2.431 -7.246 3.477 1.00 0.00 H new ATOM 0 HA LYS A 36 3.227 -9.325 5.328 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.004 -9.181 4.104 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.864 -9.523 2.615 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.819 -11.549 3.573 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.560 -11.706 3.446 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.867 -11.322 5.806 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.213 -10.779 6.006 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.550 -13.519 4.876 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.059 -13.315 6.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.258 -13.959 6.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.127 -12.401 7.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.620 -12.599 5.456 1.00 0.00 H new ATOM 540 N GLU A 37 5.329 -10.097 4.292 1.00 0.00 N ATOM 541 CA GLU A 37 6.554 -10.630 3.708 1.00 0.00 C ATOM 542 C GLU A 37 6.308 -12.000 3.085 1.00 0.00 C ATOM 543 O GLU A 37 5.609 -12.835 3.659 1.00 0.00 O ATOM 544 CB GLU A 37 7.650 -10.729 4.771 1.00 0.00 C ATOM 545 CG GLU A 37 8.542 -9.500 4.842 1.00 0.00 C ATOM 546 CD GLU A 37 8.757 -9.014 6.261 1.00 0.00 C ATOM 547 OE1 GLU A 37 9.237 -9.810 7.096 1.00 0.00 O ATOM 548 OE2 GLU A 37 8.447 -7.837 6.541 1.00 0.00 O ATOM 0 H GLU A 37 5.280 -10.169 5.308 1.00 0.00 H new ATOM 0 HA GLU A 37 6.880 -9.947 2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.187 -10.888 5.745 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.267 -11.604 4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 37 9.507 -9.730 4.391 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.097 -8.699 4.251 1.00 0.00 H new ATOM 555 N ASP A 38 6.884 -12.224 1.909 1.00 0.00 N ATOM 556 CA ASP A 38 6.725 -13.493 1.209 1.00 0.00 C ATOM 557 C ASP A 38 5.253 -13.783 0.935 1.00 0.00 C ATOM 558 O ASP A 38 4.835 -14.940 0.890 1.00 0.00 O ATOM 559 CB ASP A 38 7.338 -14.631 2.026 1.00 0.00 C ATOM 560 CG ASP A 38 7.835 -15.767 1.153 1.00 0.00 C ATOM 561 OD1 ASP A 38 7.381 -15.867 -0.006 1.00 0.00 O ATOM 562 OD2 ASP A 38 8.680 -16.555 1.628 1.00 0.00 O ATOM 0 H ASP A 38 7.465 -11.543 1.420 1.00 0.00 H new ATOM 0 HA ASP A 38 7.246 -13.420 0.254 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.166 -14.243 2.619 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.595 -15.013 2.726 1.00 0.00 H new ATOM 567 N GLY A 39 4.471 -12.723 0.754 1.00 0.00 N ATOM 568 CA GLY A 39 3.053 -12.883 0.488 1.00 0.00 C ATOM 569 C GLY A 39 2.576 -12.018 -0.661 1.00 0.00 C ATOM 570 O GLY A 39 3.374 -11.587 -1.494 1.00 0.00 O ATOM 0 H GLY A 39 4.794 -11.756 0.787 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.845 -13.929 0.262 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.488 -12.633 1.386 1.00 0.00 H new ATOM 574 N ALA A 40 1.274 -11.762 -0.705 1.00 0.00 N ATOM 575 CA ALA A 40 0.691 -10.941 -1.760 1.00 0.00 C ATOM 576 C ALA A 40 1.273 -9.532 -1.743 1.00 0.00 C ATOM 577 O ALA A 40 1.414 -8.895 -2.788 1.00 0.00 O ATOM 578 CB ALA A 40 -0.822 -10.891 -1.613 1.00 0.00 C ATOM 0 H ALA A 40 0.601 -12.111 -0.022 1.00 0.00 H new ATOM 0 HA ALA A 40 0.937 -11.396 -2.719 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.245 -10.275 -2.407 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.228 -11.900 -1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.079 -10.462 -0.645 1.00 0.00 H new ATOM 584 N ALA A 41 1.607 -9.049 -0.551 1.00 0.00 N ATOM 585 CA ALA A 41 2.171 -7.714 -0.400 1.00 0.00 C ATOM 586 C ALA A 41 3.598 -7.654 -0.935 1.00 0.00 C ATOM 587 O ALA A 41 3.954 -6.743 -1.681 1.00 0.00 O ATOM 588 CB ALA A 41 2.137 -7.289 1.062 1.00 0.00 C ATOM 0 H ALA A 41 1.497 -9.562 0.324 1.00 0.00 H new ATOM 0 HA ALA A 41 1.563 -7.023 -0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.561 -6.290 1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.106 -7.282 1.415 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.720 -7.991 1.659 1.00 0.00 H new ATOM 594 N MET A 42 4.412 -8.631 -0.549 1.00 0.00 N ATOM 595 CA MET A 42 5.799 -8.690 -0.992 1.00 0.00 C ATOM 596 C MET A 42 5.882 -8.968 -2.489 1.00 0.00 C ATOM 597 O MET A 42 6.686 -8.364 -3.200 1.00 0.00 O ATOM 598 CB MET A 42 6.555 -9.770 -0.217 1.00 0.00 C ATOM 599 CG MET A 42 8.000 -9.406 0.077 1.00 0.00 C ATOM 600 SD MET A 42 8.156 -8.177 1.387 1.00 0.00 S ATOM 601 CE MET A 42 9.900 -8.311 1.772 1.00 0.00 C ATOM 0 H MET A 42 4.134 -9.393 0.070 1.00 0.00 H new ATOM 0 HA MET A 42 6.259 -7.721 -0.797 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.038 -9.960 0.724 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.531 -10.699 -0.787 1.00 0.00 H new ATOM 0 HG2 MET A 42 8.546 -10.305 0.361 1.00 0.00 H new ATOM 0 HG3 MET A 42 8.466 -9.024 -0.831 1.00 0.00 H new ATOM 0 HE1 MET A 42 10.152 -7.610 2.568 1.00 0.00 H new ATOM 0 HE2 MET A 42 10.124 -9.327 2.099 1.00 0.00 H new ATOM 0 HE3 MET A 42 10.488 -8.078 0.884 1.00 0.00 H new ATOM 611 N ARG A 43 5.046 -9.886 -2.962 1.00 0.00 N ATOM 612 CA ARG A 43 5.025 -10.244 -4.375 1.00 0.00 C ATOM 613 C ARG A 43 4.616 -9.050 -5.233 1.00 0.00 C ATOM 614 O ARG A 43 5.073 -8.901 -6.365 1.00 0.00 O ATOM 615 CB ARG A 43 4.065 -11.412 -4.613 1.00 0.00 C ATOM 616 CG ARG A 43 4.611 -12.463 -5.565 1.00 0.00 C ATOM 617 CD ARG A 43 4.433 -12.045 -7.016 1.00 0.00 C ATOM 618 NE ARG A 43 3.166 -12.519 -7.570 1.00 0.00 N ATOM 619 CZ ARG A 43 2.726 -12.205 -8.786 1.00 0.00 C ATOM 620 NH1 ARG A 43 3.446 -11.421 -9.578 1.00 0.00 N ATOM 621 NH2 ARG A 43 1.562 -12.679 -9.212 1.00 0.00 N ATOM 0 H ARG A 43 4.374 -10.395 -2.388 1.00 0.00 H new ATOM 0 HA ARG A 43 6.032 -10.547 -4.663 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.835 -11.883 -3.657 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.127 -11.025 -5.011 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.669 -12.627 -5.360 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.102 -13.411 -5.393 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.477 -10.958 -7.088 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.258 -12.437 -7.610 1.00 0.00 H new ATOM 0 HE ARG A 43 2.585 -13.126 -6.991 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.342 -11.055 -9.256 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.103 -11.184 -10.509 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.005 -13.283 -8.608 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.224 -12.439 -10.144 1.00 0.00 H new ATOM 635 N ALA A 44 3.753 -8.202 -4.683 1.00 0.00 N ATOM 636 CA ALA A 44 3.284 -7.020 -5.396 1.00 0.00 C ATOM 637 C ALA A 44 4.331 -5.909 -5.385 1.00 0.00 C ATOM 638 O ALA A 44 4.246 -4.957 -6.164 1.00 0.00 O ATOM 639 CB ALA A 44 1.979 -6.523 -4.789 1.00 0.00 C ATOM 0 H ALA A 44 3.365 -8.311 -3.746 1.00 0.00 H new ATOM 0 HA ALA A 44 3.109 -7.302 -6.434 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.639 -5.640 -5.330 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.223 -7.305 -4.860 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.139 -6.267 -3.742 1.00 0.00 H new ATOM 645 N GLY A 45 5.318 -6.031 -4.501 1.00 0.00 N ATOM 646 CA GLY A 45 6.362 -5.027 -4.416 1.00 0.00 C ATOM 647 C GLY A 45 5.962 -3.846 -3.552 1.00 0.00 C ATOM 648 O GLY A 45 6.044 -2.696 -3.984 1.00 0.00 O ATOM 0 H GLY A 45 5.412 -6.806 -3.844 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.266 -5.481 -4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.605 -4.674 -5.418 1.00 0.00 H new ATOM 652 N VAL A 46 5.528 -4.129 -2.329 1.00 0.00 N ATOM 653 CA VAL A 46 5.113 -3.082 -1.404 1.00 0.00 C ATOM 654 C VAL A 46 6.296 -2.572 -0.586 1.00 0.00 C ATOM 655 O VAL A 46 7.310 -3.257 -0.450 1.00 0.00 O ATOM 656 CB VAL A 46 4.010 -3.581 -0.447 1.00 0.00 C ATOM 657 CG1 VAL A 46 4.530 -4.702 0.442 1.00 0.00 C ATOM 658 CG2 VAL A 46 3.474 -2.432 0.393 1.00 0.00 C ATOM 0 H VAL A 46 5.455 -5.075 -1.955 1.00 0.00 H new ATOM 0 HA VAL A 46 4.715 -2.265 -2.006 1.00 0.00 H new ATOM 0 HB VAL A 46 3.192 -3.979 -1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.735 -5.037 1.108 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.859 -5.536 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.369 -4.337 1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.697 -2.802 1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.285 -2.002 0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.055 -1.667 -0.261 1.00 0.00 H new ATOM 668 N GLN A 47 6.160 -1.367 -0.043 1.00 0.00 N ATOM 669 CA GLN A 47 7.217 -0.767 0.762 1.00 0.00 C ATOM 670 C GLN A 47 6.674 -0.294 2.106 1.00 0.00 C ATOM 671 O GLN A 47 5.836 0.604 2.167 1.00 0.00 O ATOM 672 CB GLN A 47 7.856 0.405 0.011 1.00 0.00 C ATOM 673 CG GLN A 47 9.302 0.156 -0.387 1.00 0.00 C ATOM 674 CD GLN A 47 9.609 0.623 -1.797 1.00 0.00 C ATOM 675 OE1 GLN A 47 10.318 -0.048 -2.546 1.00 0.00 O ATOM 676 NE2 GLN A 47 9.073 1.781 -2.166 1.00 0.00 N ATOM 0 H GLN A 47 5.328 -0.787 -0.146 1.00 0.00 H new ATOM 0 HA GLN A 47 7.977 -1.527 0.946 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.272 0.613 -0.885 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.808 1.296 0.637 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.961 0.670 0.313 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.519 -0.909 -0.306 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.491 2.305 -1.512 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.243 2.146 -3.103 1.00 0.00 H new ATOM 685 N THR A 48 7.159 -0.904 3.184 1.00 0.00 N ATOM 686 CA THR A 48 6.722 -0.544 4.529 1.00 0.00 C ATOM 687 C THR A 48 6.872 0.954 4.770 1.00 0.00 C ATOM 688 O THR A 48 7.923 1.536 4.499 1.00 0.00 O ATOM 689 CB THR A 48 7.520 -1.325 5.576 1.00 0.00 C ATOM 690 OG1 THR A 48 7.383 -0.731 6.855 1.00 0.00 O ATOM 691 CG2 THR A 48 8.999 -1.406 5.265 1.00 0.00 C ATOM 0 H THR A 48 7.854 -1.650 3.152 1.00 0.00 H new ATOM 0 HA THR A 48 5.667 -0.803 4.620 1.00 0.00 H new ATOM 0 HB THR A 48 7.107 -2.333 5.561 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.443 -0.759 7.129 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.505 -1.973 6.047 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.142 -1.903 4.306 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.417 -0.400 5.218 1.00 0.00 H new ATOM 699 N GLY A 49 5.812 1.573 5.277 1.00 0.00 N ATOM 700 CA GLY A 49 5.841 2.999 5.544 1.00 0.00 C ATOM 701 C GLY A 49 5.672 3.827 4.285 1.00 0.00 C ATOM 702 O GLY A 49 6.228 4.919 4.174 1.00 0.00 O ATOM 0 H GLY A 49 4.932 1.112 5.508 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.049 3.250 6.249 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.786 3.257 6.021 1.00 0.00 H new ATOM 706 N ASP A 50 4.901 3.306 3.336 1.00 0.00 N ATOM 707 CA ASP A 50 4.660 4.005 2.078 1.00 0.00 C ATOM 708 C ASP A 50 3.370 4.815 2.143 1.00 0.00 C ATOM 709 O ASP A 50 2.414 4.429 2.815 1.00 0.00 O ATOM 710 CB ASP A 50 4.593 3.005 0.920 1.00 0.00 C ATOM 711 CG ASP A 50 3.420 2.049 1.042 1.00 0.00 C ATOM 712 OD1 ASP A 50 2.272 2.528 1.150 1.00 0.00 O ATOM 713 OD2 ASP A 50 3.652 0.822 1.027 1.00 0.00 O ATOM 0 H ASP A 50 4.433 2.403 3.414 1.00 0.00 H new ATOM 0 HA ASP A 50 5.489 4.692 1.908 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.517 3.549 -0.021 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.521 2.434 0.884 1.00 0.00 H new ATOM 718 N ARG A 51 3.348 5.942 1.437 1.00 0.00 N ATOM 719 CA ARG A 51 2.175 6.807 1.413 1.00 0.00 C ATOM 720 C ARG A 51 1.208 6.374 0.316 1.00 0.00 C ATOM 721 O ARG A 51 1.627 5.964 -0.765 1.00 0.00 O ATOM 722 CB ARG A 51 2.590 8.263 1.200 1.00 0.00 C ATOM 723 CG ARG A 51 2.990 8.975 2.484 1.00 0.00 C ATOM 724 CD ARG A 51 4.376 9.593 2.374 1.00 0.00 C ATOM 725 NE ARG A 51 4.341 10.905 1.729 1.00 0.00 N ATOM 726 CZ ARG A 51 5.372 11.748 1.708 1.00 0.00 C ATOM 727 NH1 ARG A 51 6.517 11.422 2.295 1.00 0.00 N ATOM 728 NH2 ARG A 51 5.255 12.921 1.100 1.00 0.00 N ATOM 0 H ARG A 51 4.130 6.277 0.874 1.00 0.00 H new ATOM 0 HA ARG A 51 1.670 6.721 2.375 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.425 8.296 0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.765 8.803 0.736 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.261 9.753 2.711 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.971 8.268 3.314 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.810 9.690 3.369 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.026 8.927 1.806 1.00 0.00 H new ATOM 0 HE ARG A 51 3.477 11.191 1.269 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.611 10.522 2.765 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.303 12.072 2.276 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.376 13.176 0.649 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.044 13.568 1.083 1.00 0.00 H new ATOM 742 N ILE A 52 -0.087 6.469 0.600 1.00 0.00 N ATOM 743 CA ILE A 52 -1.109 6.085 -0.367 1.00 0.00 C ATOM 744 C ILE A 52 -1.659 7.305 -1.099 1.00 0.00 C ATOM 745 O ILE A 52 -2.280 8.178 -0.492 1.00 0.00 O ATOM 746 CB ILE A 52 -2.274 5.337 0.311 1.00 0.00 C ATOM 747 CG1 ILE A 52 -1.737 4.190 1.173 1.00 0.00 C ATOM 748 CG2 ILE A 52 -3.247 4.811 -0.734 1.00 0.00 C ATOM 749 CD1 ILE A 52 -2.821 3.421 1.895 1.00 0.00 C ATOM 0 H ILE A 52 -0.453 6.808 1.490 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.630 5.419 -1.085 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.808 6.034 0.956 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.175 3.503 0.541 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.038 4.593 1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.064 4.285 -0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.648 5.645 -1.310 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.727 4.125 -1.403 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.370 2.624 2.486 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.369 4.095 2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.507 2.989 1.167 1.00 0.00 H new ATOM 761 N ILE A 53 -1.427 7.356 -2.407 1.00 0.00 N ATOM 762 CA ILE A 53 -1.899 8.467 -3.224 1.00 0.00 C ATOM 763 C ILE A 53 -3.382 8.319 -3.543 1.00 0.00 C ATOM 764 O ILE A 53 -4.154 9.268 -3.408 1.00 0.00 O ATOM 765 CB ILE A 53 -1.109 8.570 -4.543 1.00 0.00 C ATOM 766 CG1 ILE A 53 0.395 8.538 -4.269 1.00 0.00 C ATOM 767 CG2 ILE A 53 -1.488 9.842 -5.288 1.00 0.00 C ATOM 768 CD1 ILE A 53 1.222 8.156 -5.478 1.00 0.00 C ATOM 0 H ILE A 53 -0.915 6.641 -2.923 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.742 9.377 -2.645 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.363 7.714 -5.168 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.713 9.519 -3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.595 7.831 -3.464 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.922 9.901 -6.218 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.555 9.828 -5.513 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.259 10.709 -4.668 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.279 8.154 -5.210 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.932 7.162 -5.818 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.052 8.877 -6.278 1.00 0.00 H new ATOM 780 N LYS A 54 -3.775 7.122 -3.967 1.00 0.00 N ATOM 781 CA LYS A 54 -5.169 6.851 -4.304 1.00 0.00 C ATOM 782 C LYS A 54 -5.475 5.361 -4.206 1.00 0.00 C ATOM 783 O LYS A 54 -4.567 4.529 -4.206 1.00 0.00 O ATOM 784 CB LYS A 54 -5.483 7.357 -5.714 1.00 0.00 C ATOM 785 CG LYS A 54 -4.583 6.766 -6.787 1.00 0.00 C ATOM 786 CD LYS A 54 -4.979 7.249 -8.173 1.00 0.00 C ATOM 787 CE LYS A 54 -4.410 6.351 -9.263 1.00 0.00 C ATOM 788 NZ LYS A 54 -3.568 7.113 -10.226 1.00 0.00 N ATOM 0 H LYS A 54 -3.149 6.325 -4.085 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.798 7.379 -3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.521 7.123 -5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.389 8.443 -5.731 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.547 7.041 -6.587 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.637 5.678 -6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.066 7.275 -8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.624 8.269 -8.319 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.815 5.559 -8.808 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.227 5.868 -9.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.199 6.466 -10.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.142 7.852 -10.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.774 7.554 -9.720 1.00 0.00 H new ATOM 802 N VAL A 55 -6.760 5.030 -4.121 1.00 0.00 N ATOM 803 CA VAL A 55 -7.186 3.639 -4.021 1.00 0.00 C ATOM 804 C VAL A 55 -8.112 3.262 -5.173 1.00 0.00 C ATOM 805 O VAL A 55 -9.219 3.787 -5.291 1.00 0.00 O ATOM 806 CB VAL A 55 -7.905 3.369 -2.683 1.00 0.00 C ATOM 807 CG1 VAL A 55 -9.146 4.238 -2.556 1.00 0.00 C ATOM 808 CG2 VAL A 55 -8.260 1.894 -2.551 1.00 0.00 C ATOM 0 H VAL A 55 -7.524 5.706 -4.119 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.286 3.026 -4.071 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.225 3.628 -1.871 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.639 4.032 -1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.860 5.289 -2.596 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.831 4.017 -3.375 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.766 1.725 -1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.919 1.604 -3.370 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.350 1.296 -2.588 1.00 0.00 H new ATOM 818 N ASN A 56 -7.650 2.348 -6.022 1.00 0.00 N ATOM 819 CA ASN A 56 -8.436 1.898 -7.167 1.00 0.00 C ATOM 820 C ASN A 56 -8.833 3.074 -8.054 1.00 0.00 C ATOM 821 O ASN A 56 -10.014 3.292 -8.326 1.00 0.00 O ATOM 822 CB ASN A 56 -9.686 1.154 -6.693 1.00 0.00 C ATOM 823 CG ASN A 56 -9.432 -0.327 -6.485 1.00 0.00 C ATOM 824 OD1 ASN A 56 -8.294 -0.791 -6.557 1.00 0.00 O ATOM 825 ND2 ASN A 56 -10.496 -1.079 -6.226 1.00 0.00 N ATOM 0 H ASN A 56 -6.735 1.904 -5.939 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.818 1.219 -7.755 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.036 1.595 -5.759 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.483 1.284 -7.425 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.388 -2.082 -6.078 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -11.421 -0.653 -6.175 1.00 0.00 H new ATOM 832 N GLY A 57 -7.838 3.834 -8.501 1.00 0.00 N ATOM 833 CA GLY A 57 -8.104 4.981 -9.350 1.00 0.00 C ATOM 834 C GLY A 57 -9.014 5.995 -8.688 1.00 0.00 C ATOM 835 O GLY A 57 -9.734 6.729 -9.364 1.00 0.00 O ATOM 0 H GLY A 57 -6.853 3.676 -8.290 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.161 5.461 -9.613 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.559 4.642 -10.281 1.00 0.00 H new ATOM 839 N THR A 58 -8.983 6.036 -7.360 1.00 0.00 N ATOM 840 CA THR A 58 -9.812 6.967 -6.603 1.00 0.00 C ATOM 841 C THR A 58 -8.975 7.734 -5.584 1.00 0.00 C ATOM 842 O THR A 58 -8.388 7.143 -4.679 1.00 0.00 O ATOM 843 CB THR A 58 -10.939 6.218 -5.893 1.00 0.00 C ATOM 844 OG1 THR A 58 -11.431 5.167 -6.706 1.00 0.00 O ATOM 845 CG2 THR A 58 -12.110 7.104 -5.528 1.00 0.00 C ATOM 0 H THR A 58 -8.392 5.435 -6.785 1.00 0.00 H new ATOM 0 HA THR A 58 -10.245 7.681 -7.303 1.00 0.00 H new ATOM 0 HB THR A 58 -10.497 5.833 -4.974 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.820 4.402 -6.657 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.874 6.509 -5.027 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.772 7.897 -4.861 1.00 0.00 H new ATOM 0 HG23 THR A 58 -12.529 7.545 -6.433 1.00 0.00 H new ATOM 853 N LEU A 59 -8.925 9.052 -5.740 1.00 0.00 N ATOM 854 CA LEU A 59 -8.159 9.901 -4.835 1.00 0.00 C ATOM 855 C LEU A 59 -8.982 10.264 -3.601 1.00 0.00 C ATOM 856 O LEU A 59 -9.189 11.441 -3.305 1.00 0.00 O ATOM 857 CB LEU A 59 -7.706 11.172 -5.557 1.00 0.00 C ATOM 858 CG LEU A 59 -6.865 10.937 -6.813 1.00 0.00 C ATOM 859 CD1 LEU A 59 -7.159 12.001 -7.858 1.00 0.00 C ATOM 860 CD2 LEU A 59 -5.384 10.921 -6.466 1.00 0.00 C ATOM 0 H LEU A 59 -9.406 9.556 -6.485 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.280 9.345 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.588 11.750 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.130 11.782 -4.861 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.130 9.965 -7.230 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.552 11.818 -8.744 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.215 11.965 -8.127 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.922 12.985 -7.453 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.800 10.753 -7.371 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.103 11.878 -6.026 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.186 10.121 -5.753 1.00 0.00 H new ATOM 872 N VAL A 60 -9.448 9.246 -2.887 1.00 0.00 N ATOM 873 CA VAL A 60 -10.246 9.459 -1.686 1.00 0.00 C ATOM 874 C VAL A 60 -9.356 9.612 -0.456 1.00 0.00 C ATOM 875 O VAL A 60 -8.344 8.924 -0.320 1.00 0.00 O ATOM 876 CB VAL A 60 -11.235 8.299 -1.455 1.00 0.00 C ATOM 877 CG1 VAL A 60 -10.490 6.990 -1.242 1.00 0.00 C ATOM 878 CG2 VAL A 60 -12.147 8.600 -0.274 1.00 0.00 C ATOM 0 H VAL A 60 -9.287 8.266 -3.119 1.00 0.00 H new ATOM 0 HA VAL A 60 -10.810 10.379 -1.838 1.00 0.00 H new ATOM 0 HB VAL A 60 -11.854 8.195 -2.346 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.207 6.185 -1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.886 6.767 -2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.842 7.078 -0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -12.838 7.770 -0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -11.546 8.735 0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -12.712 9.511 -0.473 1.00 0.00 H new ATOM 888 N THR A 61 -9.737 10.522 0.436 1.00 0.00 N ATOM 889 CA THR A 61 -8.973 10.765 1.653 1.00 0.00 C ATOM 890 C THR A 61 -9.752 10.318 2.885 1.00 0.00 C ATOM 891 O THR A 61 -9.360 9.373 3.570 1.00 0.00 O ATOM 892 CB THR A 61 -8.620 12.250 1.770 1.00 0.00 C ATOM 893 OG1 THR A 61 -8.377 12.809 0.492 1.00 0.00 O ATOM 894 CG2 THR A 61 -7.399 12.509 2.625 1.00 0.00 C ATOM 0 H THR A 61 -10.570 11.102 0.338 1.00 0.00 H new ATOM 0 HA THR A 61 -8.054 10.182 1.597 1.00 0.00 H new ATOM 0 HB THR A 61 -9.482 12.716 2.247 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.155 13.759 0.587 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.204 13.581 2.666 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.574 12.133 3.633 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.537 12.000 2.193 1.00 0.00 H new ATOM 902 N HIS A 62 -10.857 11.003 3.162 1.00 0.00 N ATOM 903 CA HIS A 62 -11.692 10.676 4.313 1.00 0.00 C ATOM 904 C HIS A 62 -10.888 10.752 5.606 1.00 0.00 C ATOM 905 O HIS A 62 -9.743 11.202 5.612 1.00 0.00 O ATOM 906 CB HIS A 62 -12.295 9.278 4.149 1.00 0.00 C ATOM 907 CG HIS A 62 -13.750 9.293 3.794 1.00 0.00 C ATOM 908 ND1 HIS A 62 -14.747 9.555 4.711 1.00 0.00 N ATOM 909 CD2 HIS A 62 -14.376 9.078 2.611 1.00 0.00 C ATOM 910 CE1 HIS A 62 -15.922 9.499 4.110 1.00 0.00 C ATOM 911 NE2 HIS A 62 -15.724 9.212 2.835 1.00 0.00 N ATOM 0 H HIS A 62 -11.195 11.788 2.605 1.00 0.00 H new ATOM 0 HA HIS A 62 -12.499 11.407 4.368 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -11.746 8.743 3.375 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -12.161 8.722 5.077 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -13.903 8.845 1.669 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -16.881 9.660 4.580 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -16.455 9.107 2.131 1.00 0.00 H new ATOM 920 N SER A 63 -11.495 10.307 6.702 1.00 0.00 N ATOM 921 CA SER A 63 -10.836 10.324 8.002 1.00 0.00 C ATOM 922 C SER A 63 -11.313 9.163 8.870 1.00 0.00 C ATOM 923 O SER A 63 -11.644 9.343 10.041 1.00 0.00 O ATOM 924 CB SER A 63 -11.101 11.653 8.714 1.00 0.00 C ATOM 925 OG SER A 63 -9.952 12.093 9.419 1.00 0.00 O ATOM 0 H SER A 63 -12.443 9.930 6.715 1.00 0.00 H new ATOM 0 HA SER A 63 -9.764 10.215 7.840 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.395 12.408 7.984 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.935 11.538 9.407 1.00 0.00 H new ATOM 0 HG SER A 63 -10.147 12.944 9.864 1.00 0.00 H new ATOM 931 N ASN A 64 -11.343 7.970 8.283 1.00 0.00 N ATOM 932 CA ASN A 64 -11.778 6.778 9.002 1.00 0.00 C ATOM 933 C ASN A 64 -11.038 5.541 8.503 1.00 0.00 C ATOM 934 O ASN A 64 -11.176 5.149 7.344 1.00 0.00 O ATOM 935 CB ASN A 64 -13.287 6.581 8.840 1.00 0.00 C ATOM 936 CG ASN A 64 -14.079 7.257 9.943 1.00 0.00 C ATOM 937 OD1 ASN A 64 -13.569 7.481 11.040 1.00 0.00 O ATOM 938 ND2 ASN A 64 -15.334 7.583 9.655 1.00 0.00 N ATOM 0 H ASN A 64 -11.072 7.804 7.314 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.547 6.918 10.058 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -13.601 6.978 7.875 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -13.513 5.515 8.835 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -15.917 8.039 10.357 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -15.715 7.378 8.731 1.00 0.00 H new ATOM 945 N HIS A 65 -10.250 4.934 9.385 1.00 0.00 N ATOM 946 CA HIS A 65 -9.487 3.741 9.033 1.00 0.00 C ATOM 947 C HIS A 65 -10.415 2.608 8.607 1.00 0.00 C ATOM 948 O HIS A 65 -10.123 1.876 7.660 1.00 0.00 O ATOM 949 CB HIS A 65 -8.626 3.294 10.215 1.00 0.00 C ATOM 950 CG HIS A 65 -7.765 2.108 9.912 1.00 0.00 C ATOM 951 ND1 HIS A 65 -7.634 1.035 10.769 1.00 0.00 N ATOM 952 CD2 HIS A 65 -6.990 1.826 8.837 1.00 0.00 C ATOM 953 CE1 HIS A 65 -6.815 0.145 10.235 1.00 0.00 C ATOM 954 NE2 HIS A 65 -6.411 0.602 9.064 1.00 0.00 N ATOM 0 H HIS A 65 -10.123 5.248 10.347 1.00 0.00 H new ATOM 0 HA HIS A 65 -8.838 3.990 8.193 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -7.991 4.124 10.526 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -9.275 3.056 11.058 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -8.097 0.943 11.673 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -6.853 2.448 7.965 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.526 -0.795 10.681 1.00 0.00 H new ATOM 963 N LEU A 66 -11.534 2.469 9.313 1.00 0.00 N ATOM 964 CA LEU A 66 -12.505 1.425 9.005 1.00 0.00 C ATOM 965 C LEU A 66 -12.950 1.509 7.550 1.00 0.00 C ATOM 966 O LEU A 66 -13.053 0.493 6.862 1.00 0.00 O ATOM 967 CB LEU A 66 -13.716 1.536 9.933 1.00 0.00 C ATOM 968 CG LEU A 66 -13.464 1.118 11.381 1.00 0.00 C ATOM 969 CD1 LEU A 66 -12.823 2.256 12.161 1.00 0.00 C ATOM 970 CD2 LEU A 66 -14.761 0.680 12.043 1.00 0.00 C ATOM 0 H LEU A 66 -11.790 3.065 10.100 1.00 0.00 H new ATOM 0 HA LEU A 66 -12.026 0.459 9.162 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.067 2.568 9.925 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.521 0.922 9.529 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.776 0.272 11.380 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.651 1.940 13.190 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.872 2.523 11.700 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -13.486 3.121 12.153 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -14.562 0.386 13.074 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -15.472 1.506 12.032 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.180 -0.166 11.498 1.00 0.00 H new ATOM 982 N GLU A 67 -13.206 2.727 7.084 1.00 0.00 N ATOM 983 CA GLU A 67 -13.630 2.939 5.706 1.00 0.00 C ATOM 984 C GLU A 67 -12.533 2.503 4.746 1.00 0.00 C ATOM 985 O GLU A 67 -12.797 1.832 3.747 1.00 0.00 O ATOM 986 CB GLU A 67 -13.981 4.409 5.473 1.00 0.00 C ATOM 987 CG GLU A 67 -15.398 4.770 5.896 1.00 0.00 C ATOM 988 CD GLU A 67 -16.436 4.343 4.878 1.00 0.00 C ATOM 989 OE1 GLU A 67 -16.924 3.197 4.972 1.00 0.00 O ATOM 990 OE2 GLU A 67 -16.762 5.154 3.985 1.00 0.00 O ATOM 0 H GLU A 67 -13.127 3.579 7.639 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.520 2.337 5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.276 5.034 6.022 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.856 4.641 4.415 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.619 4.299 6.854 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.465 5.847 6.048 1.00 0.00 H new ATOM 997 N VAL A 68 -11.297 2.875 5.061 1.00 0.00 N ATOM 998 CA VAL A 68 -10.158 2.508 4.232 1.00 0.00 C ATOM 999 C VAL A 68 -9.993 0.995 4.212 1.00 0.00 C ATOM 1000 O VAL A 68 -9.820 0.390 3.151 1.00 0.00 O ATOM 1001 CB VAL A 68 -8.852 3.150 4.741 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -7.755 3.038 3.691 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -9.083 4.605 5.128 1.00 0.00 C ATOM 0 H VAL A 68 -11.060 3.430 5.884 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.355 2.878 3.226 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.529 2.609 5.631 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.841 3.497 4.069 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.569 1.987 3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.069 3.550 2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.149 5.039 5.485 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.433 5.161 4.259 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.832 4.657 5.918 1.00 0.00 H new ATOM 1013 N VAL A 69 -10.062 0.387 5.392 1.00 0.00 N ATOM 1014 CA VAL A 69 -9.932 -1.058 5.515 1.00 0.00 C ATOM 1015 C VAL A 69 -11.061 -1.761 4.771 1.00 0.00 C ATOM 1016 O VAL A 69 -10.831 -2.725 4.041 1.00 0.00 O ATOM 1017 CB VAL A 69 -9.946 -1.503 6.989 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -9.633 -2.988 7.104 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -8.964 -0.676 7.808 1.00 0.00 C ATOM 0 H VAL A 69 -10.207 0.874 6.276 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.974 -1.335 5.076 1.00 0.00 H new ATOM 0 HB VAL A 69 -10.946 -1.336 7.389 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.648 -3.283 8.153 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.381 -3.561 6.556 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.646 -3.185 6.686 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.989 -1.006 8.847 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.958 -0.806 7.410 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.242 0.377 7.755 1.00 0.00 H new ATOM 1029 N LYS A 70 -12.281 -1.266 4.956 1.00 0.00 N ATOM 1030 CA LYS A 70 -13.443 -1.842 4.293 1.00 0.00 C ATOM 1031 C LYS A 70 -13.349 -1.645 2.785 1.00 0.00 C ATOM 1032 O LYS A 70 -13.713 -2.527 2.009 1.00 0.00 O ATOM 1033 CB LYS A 70 -14.730 -1.208 4.828 1.00 0.00 C ATOM 1034 CG LYS A 70 -15.424 -2.043 5.891 1.00 0.00 C ATOM 1035 CD LYS A 70 -16.926 -2.102 5.664 1.00 0.00 C ATOM 1036 CE LYS A 70 -17.667 -1.138 6.578 1.00 0.00 C ATOM 1037 NZ LYS A 70 -18.962 -1.703 7.048 1.00 0.00 N ATOM 0 H LYS A 70 -12.489 -0.469 5.558 1.00 0.00 H new ATOM 0 HA LYS A 70 -13.465 -2.911 4.504 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -14.497 -0.228 5.243 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -15.418 -1.047 3.998 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -15.015 -3.053 5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -15.220 -1.622 6.876 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -17.147 -1.862 4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -17.282 -3.117 5.839 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -17.041 -0.900 7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -17.850 -0.203 6.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -19.436 -1.016 7.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -19.570 -1.907 6.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -18.786 -2.582 7.576 1.00 0.00 H new ATOM 1051 N LEU A 71 -12.851 -0.481 2.380 1.00 0.00 N ATOM 1052 CA LEU A 71 -12.700 -0.166 0.966 1.00 0.00 C ATOM 1053 C LEU A 71 -11.625 -1.040 0.331 1.00 0.00 C ATOM 1054 O LEU A 71 -11.818 -1.592 -0.751 1.00 0.00 O ATOM 1055 CB LEU A 71 -12.348 1.311 0.785 1.00 0.00 C ATOM 1056 CG LEU A 71 -12.630 1.879 -0.606 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -14.078 2.329 -0.716 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -11.686 3.033 -0.910 1.00 0.00 C ATOM 0 H LEU A 71 -12.545 0.259 3.012 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.649 -0.367 0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -12.905 1.894 1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.290 1.446 1.008 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.460 1.092 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -14.260 2.730 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -14.737 1.479 -0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.277 3.101 0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.900 3.426 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.825 3.821 -0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.656 2.679 -0.874 1.00 0.00 H new ATOM 1070 N ILE A 72 -10.492 -1.168 1.016 1.00 0.00 N ATOM 1071 CA ILE A 72 -9.391 -1.983 0.517 1.00 0.00 C ATOM 1072 C ILE A 72 -9.746 -3.465 0.572 1.00 0.00 C ATOM 1073 O ILE A 72 -9.363 -4.239 -0.304 1.00 0.00 O ATOM 1074 CB ILE A 72 -8.097 -1.740 1.321 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -7.739 -0.253 1.313 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -6.952 -2.566 0.752 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -6.957 0.187 2.532 1.00 0.00 C ATOM 0 H ILE A 72 -10.313 -0.719 1.914 1.00 0.00 H new ATOM 0 HA ILE A 72 -9.219 -1.689 -0.518 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.266 -2.052 2.352 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.156 -0.033 0.419 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.656 0.333 1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.047 -2.382 1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.207 -3.625 0.803 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.781 -2.284 -0.287 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.738 1.252 2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.546 -0.001 3.430 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.023 -0.373 2.587 1.00 0.00 H new ATOM 1089 N LYS A 73 -10.482 -3.854 1.610 1.00 0.00 N ATOM 1090 CA LYS A 73 -10.890 -5.244 1.779 1.00 0.00 C ATOM 1091 C LYS A 73 -12.003 -5.611 0.801 1.00 0.00 C ATOM 1092 O LYS A 73 -12.131 -6.769 0.401 1.00 0.00 O ATOM 1093 CB LYS A 73 -11.355 -5.491 3.215 1.00 0.00 C ATOM 1094 CG LYS A 73 -11.345 -6.958 3.614 1.00 0.00 C ATOM 1095 CD LYS A 73 -9.931 -7.456 3.867 1.00 0.00 C ATOM 1096 CE LYS A 73 -9.933 -8.818 4.541 1.00 0.00 C ATOM 1097 NZ LYS A 73 -8.563 -9.240 4.944 1.00 0.00 N ATOM 0 H LYS A 73 -10.807 -3.226 2.345 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.027 -5.876 1.570 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.713 -4.933 3.897 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.365 -5.098 3.334 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.947 -7.096 4.512 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.806 -7.554 2.826 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.391 -7.517 2.922 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.398 -6.740 4.493 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.577 -8.787 5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.356 -9.558 3.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.607 -10.174 5.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.955 -9.294 4.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.169 -8.547 5.612 1.00 0.00 H new ATOM 1111 N SER A 74 -12.807 -4.622 0.423 1.00 0.00 N ATOM 1112 CA SER A 74 -13.910 -4.848 -0.506 1.00 0.00 C ATOM 1113 C SER A 74 -13.391 -5.274 -1.874 1.00 0.00 C ATOM 1114 O SER A 74 -13.300 -4.464 -2.796 1.00 0.00 O ATOM 1115 CB SER A 74 -14.758 -3.582 -0.639 1.00 0.00 C ATOM 1116 OG SER A 74 -14.044 -2.556 -1.307 1.00 0.00 O ATOM 0 H SER A 74 -12.716 -3.658 0.745 1.00 0.00 H new ATOM 0 HA SER A 74 -14.529 -5.652 -0.108 1.00 0.00 H new ATOM 0 HB2 SER A 74 -15.672 -3.809 -1.187 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.057 -3.236 0.350 1.00 0.00 H new ATOM 0 HG SER A 74 -13.115 -2.547 -0.995 1.00 0.00 H new ATOM 1122 N GLY A 75 -13.052 -6.553 -2.001 1.00 0.00 N ATOM 1123 CA GLY A 75 -12.547 -7.067 -3.259 1.00 0.00 C ATOM 1124 C GLY A 75 -11.273 -7.870 -3.090 1.00 0.00 C ATOM 1125 O GLY A 75 -10.432 -7.543 -2.253 1.00 0.00 O ATOM 0 H GLY A 75 -13.119 -7.243 -1.253 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.308 -7.694 -3.723 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.361 -6.235 -3.939 1.00 0.00 H new ATOM 1129 N SER A 76 -11.128 -8.924 -3.887 1.00 0.00 N ATOM 1130 CA SER A 76 -9.946 -9.776 -3.822 1.00 0.00 C ATOM 1131 C SER A 76 -8.727 -9.057 -4.390 1.00 0.00 C ATOM 1132 O SER A 76 -7.704 -8.922 -3.719 1.00 0.00 O ATOM 1133 CB SER A 76 -10.188 -11.078 -4.588 1.00 0.00 C ATOM 1134 OG SER A 76 -11.155 -11.882 -3.935 1.00 0.00 O ATOM 0 H SER A 76 -11.815 -9.208 -4.586 1.00 0.00 H new ATOM 0 HA SER A 76 -9.753 -10.009 -2.775 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.523 -10.851 -5.600 1.00 0.00 H new ATOM 0 HB3 SER A 76 -9.252 -11.630 -4.678 1.00 0.00 H new ATOM 0 HG SER A 76 -11.293 -12.707 -4.445 1.00 0.00 H new ATOM 1140 N TYR A 77 -8.844 -8.596 -5.630 1.00 0.00 N ATOM 1141 CA TYR A 77 -7.752 -7.887 -6.290 1.00 0.00 C ATOM 1142 C TYR A 77 -7.926 -6.378 -6.154 1.00 0.00 C ATOM 1143 O TYR A 77 -8.890 -5.807 -6.664 1.00 0.00 O ATOM 1144 CB TYR A 77 -7.683 -8.274 -7.768 1.00 0.00 C ATOM 1145 CG TYR A 77 -7.398 -9.741 -7.998 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -8.291 -10.718 -7.574 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -6.236 -10.149 -8.641 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -8.032 -12.059 -7.782 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -5.971 -11.489 -8.854 1.00 0.00 C ATOM 1150 CZ TYR A 77 -6.871 -12.439 -8.424 1.00 0.00 C ATOM 1151 OH TYR A 77 -6.611 -13.773 -8.634 1.00 0.00 O ATOM 0 H TYR A 77 -9.684 -8.700 -6.199 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.819 -8.173 -5.805 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.628 -8.017 -8.247 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.908 -7.682 -8.254 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.202 -10.424 -7.074 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.528 -9.407 -8.980 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.735 -12.806 -7.444 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.063 -11.790 -9.355 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.363 -14.195 -7.785 1.00 0.00 H new ATOM 1161 N VAL A 78 -6.989 -5.739 -5.464 1.00 0.00 N ATOM 1162 CA VAL A 78 -7.039 -4.296 -5.261 1.00 0.00 C ATOM 1163 C VAL A 78 -5.724 -3.636 -5.665 1.00 0.00 C ATOM 1164 O VAL A 78 -4.650 -4.215 -5.500 1.00 0.00 O ATOM 1165 CB VAL A 78 -7.352 -3.948 -3.792 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -6.267 -4.482 -2.871 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -7.517 -2.445 -3.621 1.00 0.00 C ATOM 0 H VAL A 78 -6.185 -6.197 -5.035 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.839 -3.913 -5.895 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.293 -4.426 -3.519 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.507 -4.226 -1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.206 -5.566 -2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.309 -4.038 -3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.737 -2.220 -2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.595 -1.942 -3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.337 -2.095 -4.249 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.817 -2.420 -6.193 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.637 -1.678 -6.619 1.00 0.00 C ATOM 1179 C ALA A 79 -4.579 -0.311 -5.945 1.00 0.00 C ATOM 1180 O ALA A 79 -5.410 0.558 -6.210 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.629 -1.523 -8.133 1.00 0.00 C ATOM 0 H ALA A 79 -6.699 -1.927 -6.336 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.754 -2.242 -6.319 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.742 -0.967 -8.437 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.617 -2.508 -8.600 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.522 -0.983 -8.448 1.00 0.00 H new ATOM 1187 N LEU A 80 -3.595 -0.129 -5.071 1.00 0.00 N ATOM 1188 CA LEU A 80 -3.432 1.133 -4.357 1.00 0.00 C ATOM 1189 C LEU A 80 -2.154 1.844 -4.790 1.00 0.00 C ATOM 1190 O LEU A 80 -1.051 1.340 -4.584 1.00 0.00 O ATOM 1191 CB LEU A 80 -3.405 0.889 -2.846 1.00 0.00 C ATOM 1192 CG LEU A 80 -4.324 -0.229 -2.348 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -3.885 -0.707 -0.974 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -5.769 0.246 -2.314 1.00 0.00 C ATOM 0 H LEU A 80 -2.899 -0.838 -4.840 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.282 1.771 -4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.382 0.655 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.679 1.815 -2.340 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.254 -1.068 -3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.550 -1.502 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.865 -1.086 -1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.925 0.124 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.409 -0.561 -1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.855 1.101 -1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.079 0.539 -3.317 1.00 0.00 H new ATOM 1206 N THR A 81 -2.311 3.023 -5.386 1.00 0.00 N ATOM 1207 CA THR A 81 -1.168 3.804 -5.843 1.00 0.00 C ATOM 1208 C THR A 81 -0.492 4.507 -4.670 1.00 0.00 C ATOM 1209 O THR A 81 -1.058 5.423 -4.073 1.00 0.00 O ATOM 1210 CB THR A 81 -1.611 4.836 -6.884 1.00 0.00 C ATOM 1211 OG1 THR A 81 -2.247 4.199 -7.979 1.00 0.00 O ATOM 1212 CG2 THR A 81 -0.468 5.662 -7.433 1.00 0.00 C ATOM 0 H THR A 81 -3.217 3.457 -5.563 1.00 0.00 H new ATOM 0 HA THR A 81 -0.451 3.123 -6.301 1.00 0.00 H new ATOM 0 HB THR A 81 -2.297 5.501 -6.360 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.854 4.520 -8.817 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.852 6.373 -8.165 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.013 6.204 -6.619 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.259 5.005 -7.911 1.00 0.00 H new ATOM 1220 N VAL A 82 0.719 4.065 -4.342 1.00 0.00 N ATOM 1221 CA VAL A 82 1.470 4.647 -3.236 1.00 0.00 C ATOM 1222 C VAL A 82 2.767 5.287 -3.722 1.00 0.00 C ATOM 1223 O VAL A 82 3.108 5.206 -4.901 1.00 0.00 O ATOM 1224 CB VAL A 82 1.808 3.588 -2.170 1.00 0.00 C ATOM 1225 CG1 VAL A 82 0.557 3.184 -1.404 1.00 0.00 C ATOM 1226 CG2 VAL A 82 2.464 2.375 -2.811 1.00 0.00 C ATOM 0 H VAL A 82 1.200 3.307 -4.826 1.00 0.00 H new ATOM 0 HA VAL A 82 0.833 5.413 -2.794 1.00 0.00 H new ATOM 0 HB VAL A 82 2.515 4.023 -1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.815 2.435 -0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.134 4.059 -0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.175 2.768 -2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.695 1.638 -2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.784 1.937 -3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.384 2.680 -3.310 1.00 0.00 H new ATOM 1236 N GLN A 83 3.484 5.922 -2.800 1.00 0.00 N ATOM 1237 CA GLN A 83 4.745 6.576 -3.127 1.00 0.00 C ATOM 1238 C GLN A 83 5.772 6.351 -2.022 1.00 0.00 C ATOM 1239 O GLN A 83 5.487 6.563 -0.843 1.00 0.00 O ATOM 1240 CB GLN A 83 4.526 8.076 -3.339 1.00 0.00 C ATOM 1241 CG GLN A 83 5.372 8.659 -4.458 1.00 0.00 C ATOM 1242 CD GLN A 83 4.877 10.019 -4.914 1.00 0.00 C ATOM 1243 OE1 GLN A 83 3.968 10.594 -4.315 1.00 0.00 O ATOM 1244 NE2 GLN A 83 5.475 10.539 -5.980 1.00 0.00 N ATOM 0 H GLN A 83 3.212 5.997 -1.820 1.00 0.00 H new ATOM 0 HA GLN A 83 5.126 6.139 -4.050 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.473 8.254 -3.559 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.751 8.603 -2.412 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.405 8.747 -4.120 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.371 7.973 -5.305 1.00 0.00 H new ATOM 0 HE21 GLN A 83 6.224 10.027 -6.445 1.00 0.00 H new ATOM 0 HE22 GLN A 83 5.185 11.451 -6.333 1.00 0.00 H new ATOM 1253 N GLY A 84 6.967 5.916 -2.409 1.00 0.00 N ATOM 1254 CA GLY A 84 8.015 5.666 -1.436 1.00 0.00 C ATOM 1255 C GLY A 84 8.991 6.820 -1.319 1.00 0.00 C ATOM 1256 O GLY A 84 8.621 7.978 -1.516 1.00 0.00 O ATOM 0 H GLY A 84 7.228 5.732 -3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.564 5.477 -0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.558 4.763 -1.716 1.00 0.00 H new ATOM 1260 N ARG A 85 10.241 6.502 -0.997 1.00 0.00 N ATOM 1261 CA ARG A 85 11.279 7.518 -0.852 1.00 0.00 C ATOM 1262 C ARG A 85 10.957 8.465 0.303 1.00 0.00 C ATOM 1263 O ARG A 85 10.721 9.654 0.096 1.00 0.00 O ATOM 1264 CB ARG A 85 11.434 8.312 -2.152 1.00 0.00 C ATOM 1265 CG ARG A 85 12.640 9.238 -2.159 1.00 0.00 C ATOM 1266 CD ARG A 85 13.410 9.144 -3.466 1.00 0.00 C ATOM 1267 NE ARG A 85 14.825 9.462 -3.291 1.00 0.00 N ATOM 1268 CZ ARG A 85 15.774 9.117 -4.158 1.00 0.00 C ATOM 1269 NH1 ARG A 85 15.464 8.446 -5.262 1.00 0.00 N ATOM 1270 NH2 ARG A 85 17.038 9.446 -3.924 1.00 0.00 N ATOM 0 H ARG A 85 10.560 5.548 -0.831 1.00 0.00 H new ATOM 0 HA ARG A 85 12.219 7.011 -0.632 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.517 7.615 -2.986 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.532 8.902 -2.318 1.00 0.00 H new ATOM 0 HG2 ARG A 85 12.311 10.265 -2.003 1.00 0.00 H new ATOM 0 HG3 ARG A 85 13.299 8.984 -1.329 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.312 8.138 -3.873 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.972 9.826 -4.195 1.00 0.00 H new ATOM 0 HE ARG A 85 15.102 9.978 -2.456 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.494 8.192 -5.449 1.00 0.00 H new ATOM 0 HH12 ARG A 85 16.196 8.185 -5.922 1.00 0.00 H new ATOM 0 HH21 ARG A 85 17.282 9.963 -3.080 1.00 0.00 H new ATOM 0 HH22 ARG A 85 17.765 9.182 -4.589 1.00 0.00 H new ATOM 1284 N PRO A 86 10.947 7.946 1.544 1.00 0.00 N ATOM 1285 CA PRO A 86 10.653 8.752 2.735 1.00 0.00 C ATOM 1286 C PRO A 86 11.633 9.913 2.901 1.00 0.00 C ATOM 1287 O PRO A 86 12.837 9.749 2.705 1.00 0.00 O ATOM 1288 CB PRO A 86 10.804 7.759 3.894 1.00 0.00 C ATOM 1289 CG PRO A 86 10.659 6.413 3.272 1.00 0.00 C ATOM 1290 CD PRO A 86 11.217 6.539 1.884 1.00 0.00 C ATOM 0 HA PRO A 86 9.666 9.211 2.679 1.00 0.00 H new ATOM 0 HB2 PRO A 86 11.773 7.866 4.381 1.00 0.00 H new ATOM 0 HB3 PRO A 86 10.044 7.925 4.657 1.00 0.00 H new ATOM 0 HG2 PRO A 86 11.200 5.658 3.843 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.614 6.105 3.246 1.00 0.00 H new ATOM 0 HD2 PRO A 86 12.283 6.315 1.856 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.729 5.855 1.189 1.00 0.00 H new ATOM 1298 N PRO A 87 11.130 11.106 3.266 1.00 0.00 N ATOM 1299 CA PRO A 87 11.974 12.290 3.457 1.00 0.00 C ATOM 1300 C PRO A 87 12.746 12.248 4.772 1.00 0.00 C ATOM 1301 O PRO A 87 12.188 11.927 5.821 1.00 0.00 O ATOM 1302 CB PRO A 87 10.964 13.436 3.467 1.00 0.00 C ATOM 1303 CG PRO A 87 9.713 12.828 3.999 1.00 0.00 C ATOM 1304 CD PRO A 87 9.706 11.399 3.523 1.00 0.00 C ATOM 0 HA PRO A 87 12.738 12.379 2.685 1.00 0.00 H new ATOM 0 HB2 PRO A 87 11.304 14.259 4.096 1.00 0.00 H new ATOM 0 HB3 PRO A 87 10.814 13.841 2.466 1.00 0.00 H new ATOM 0 HG2 PRO A 87 9.689 12.876 5.088 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.835 13.363 3.637 1.00 0.00 H new ATOM 0 HD2 PRO A 87 9.289 10.729 4.275 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.104 11.281 2.622 1.00 0.00 H new ATOM 1312 N GLY A 88 14.033 12.574 4.707 1.00 0.00 N ATOM 1313 CA GLY A 88 14.859 12.568 5.900 1.00 0.00 C ATOM 1314 C GLY A 88 15.459 11.206 6.185 1.00 0.00 C ATOM 1315 O GLY A 88 16.673 11.073 6.335 1.00 0.00 O ATOM 0 H GLY A 88 14.518 12.842 3.851 1.00 0.00 H new ATOM 0 HA2 GLY A 88 15.661 13.298 5.786 1.00 0.00 H new ATOM 0 HA3 GLY A 88 14.260 12.883 6.754 1.00 0.00 H new ATOM 1319 N SER A 89 14.605 10.190 6.261 1.00 0.00 N ATOM 1320 CA SER A 89 15.057 8.830 6.531 1.00 0.00 C ATOM 1321 C SER A 89 16.036 8.359 5.461 1.00 0.00 C ATOM 1322 O SER A 89 17.214 8.122 5.802 1.00 0.00 O ATOM 1323 CB SER A 89 13.862 7.877 6.599 1.00 0.00 C ATOM 1324 OG SER A 89 12.686 8.560 7.002 1.00 0.00 O ATOM 1325 OXT SER A 89 15.620 8.230 4.291 1.00 0.00 O ATOM 0 H SER A 89 13.597 10.283 6.139 1.00 0.00 H new ATOM 0 HA SER A 89 15.570 8.829 7.493 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.703 7.418 5.623 1.00 0.00 H new ATOM 0 HB3 SER A 89 14.076 7.070 7.300 1.00 0.00 H new ATOM 0 HG SER A 89 11.937 7.929 7.036 1.00 0.00 H new TER 1331 SER A 89