USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 658 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 17 HIS : no HE2:sc= -17! C(o=-17!,f=-20!) USER MOD Set 1.2: A 30 TYR OH : rot 180:sc= -0.279 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.7) USER MOD Single : A 9 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.46) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.48 X(o=-1.5,f=-1.8!) USER MOD Single : A 40 CYS SG : rot -80:sc= -5.99! USER MOD Single : A 42 THR OG1 : rot -129:sc= 1.14 USER MOD Single : A 47 TYR OH : rot 0:sc= -2.08! USER MOD Single : A 55 GLN : amide:sc= -0.0737 K(o=-0.074,f=-1.8!) USER MOD Single : A 58 GLN : amide:sc= -0.0791 X(o=-0.079,f=-0.22) USER MOD Single : A 59 SER OG : rot 160:sc= -3.95! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -8.36! C(o=-8.4!,f=-4.4!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot -92:sc= -1.72! USER MOD Single : A 85 THR OG1 : rot 180:sc=0.000673 USER MOD Single : A 89 SER OG : rot -170:sc= 0.0729 USER MOD ----------------------------------------------------------------- ATOM 25 N LYS A 2 -4.566 4.425 9.625 1.00 0.00 N ATOM 26 CA LYS A 2 -3.379 4.949 8.907 1.00 0.00 C ATOM 27 C LYS A 2 -2.390 3.814 8.622 1.00 0.00 C ATOM 28 O LYS A 2 -2.230 2.895 9.400 1.00 0.00 O ATOM 29 CB LYS A 2 -2.733 6.050 9.767 1.00 0.00 C ATOM 30 CG LYS A 2 -1.396 5.589 10.366 1.00 0.00 C ATOM 31 CD LYS A 2 -0.686 6.780 11.011 1.00 0.00 C ATOM 32 CE LYS A 2 0.373 7.324 10.050 1.00 0.00 C ATOM 33 NZ LYS A 2 1.097 8.455 10.696 1.00 0.00 N ATOM 0 HA LYS A 2 -3.675 5.373 7.948 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.572 6.940 9.159 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.414 6.332 10.570 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.568 4.809 11.108 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -0.767 5.156 9.588 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.408 7.560 11.253 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.220 6.475 11.948 1.00 0.00 H new ATOM 0 HE2 LYS A 2 1.075 6.535 9.781 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.098 7.660 9.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.817 8.825 10.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.422 9.210 10.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.558 8.120 11.566 1.00 0.00 H new ATOM 47 N ALA A 3 -1.720 3.895 7.512 1.00 0.00 N ATOM 48 CA ALA A 3 -0.721 2.852 7.150 1.00 0.00 C ATOM 49 C ALA A 3 0.649 3.517 6.990 1.00 0.00 C ATOM 50 O ALA A 3 0.745 4.686 6.677 1.00 0.00 O ATOM 51 CB ALA A 3 -1.129 2.190 5.832 1.00 0.00 C ATOM 0 H ALA A 3 -1.821 4.647 6.830 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.675 2.093 7.931 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.398 1.426 5.567 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.110 1.729 5.945 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.170 2.942 5.044 1.00 0.00 H new ATOM 57 N VAL A 4 1.710 2.790 7.207 1.00 0.00 N ATOM 58 CA VAL A 4 3.065 3.394 7.069 1.00 0.00 C ATOM 59 C VAL A 4 3.970 2.446 6.285 1.00 0.00 C ATOM 60 O VAL A 4 4.267 1.353 6.725 1.00 0.00 O ATOM 61 CB VAL A 4 3.659 3.629 8.458 1.00 0.00 C ATOM 62 CG1 VAL A 4 5.037 4.280 8.323 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.734 4.550 9.257 1.00 0.00 C ATOM 0 H VAL A 4 1.698 1.805 7.473 1.00 0.00 H new ATOM 0 HA VAL A 4 2.987 4.343 6.538 1.00 0.00 H new ATOM 0 HB VAL A 4 3.760 2.675 8.976 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.459 4.447 9.314 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.695 3.624 7.754 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.940 5.234 7.805 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.156 4.719 10.248 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.633 5.503 8.738 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.753 4.085 9.355 1.00 0.00 H new ATOM 73 N ILE A 5 4.415 2.851 5.127 1.00 0.00 N ATOM 74 CA ILE A 5 5.302 1.961 4.328 1.00 0.00 C ATOM 75 C ILE A 5 6.763 2.295 4.620 1.00 0.00 C ATOM 76 O ILE A 5 7.354 3.153 3.996 1.00 0.00 O ATOM 77 CB ILE A 5 5.027 2.154 2.840 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.508 2.018 2.593 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.820 1.103 2.055 1.00 0.00 C ATOM 80 CD1 ILE A 5 3.207 1.022 1.464 1.00 0.00 C ATOM 0 H ILE A 5 4.204 3.754 4.702 1.00 0.00 H new ATOM 0 HA ILE A 5 5.103 0.924 4.600 1.00 0.00 H new ATOM 0 HB ILE A 5 5.341 3.143 2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.018 1.690 3.509 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.091 2.993 2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.633 1.228 0.988 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.884 1.227 2.254 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.507 0.106 2.363 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.129 0.952 1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.676 1.365 0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.602 0.041 1.729 1.00 0.00 H new ATOM 92 N ASN A 6 7.353 1.617 5.562 1.00 0.00 N ATOM 93 CA ASN A 6 8.774 1.884 5.896 1.00 0.00 C ATOM 94 C ASN A 6 9.669 1.160 4.890 1.00 0.00 C ATOM 95 O ASN A 6 9.927 -0.019 5.014 1.00 0.00 O ATOM 96 CB ASN A 6 9.055 1.364 7.305 1.00 0.00 C ATOM 97 CG ASN A 6 8.409 2.295 8.332 1.00 0.00 C ATOM 98 OD1 ASN A 6 8.458 3.501 8.192 1.00 0.00 O ATOM 99 ND2 ASN A 6 7.801 1.782 9.367 1.00 0.00 N ATOM 0 H ASN A 6 6.908 0.886 6.117 1.00 0.00 H new ATOM 0 HA ASN A 6 8.977 2.954 5.854 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.661 0.354 7.416 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.130 1.308 7.475 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.367 2.394 10.058 1.00 0.00 H new ATOM 0 HD22 ASN A 6 7.760 0.770 9.484 1.00 0.00 H new ATOM 106 N GLY A 7 10.137 1.852 3.887 1.00 0.00 N ATOM 107 CA GLY A 7 11.006 1.198 2.867 1.00 0.00 C ATOM 108 C GLY A 7 12.312 0.731 3.514 1.00 0.00 C ATOM 109 O GLY A 7 12.736 -0.394 3.336 1.00 0.00 O ATOM 0 H GLY A 7 9.955 2.843 3.730 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.486 0.349 2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.221 1.897 2.058 1.00 0.00 H new ATOM 113 N GLU A 8 12.955 1.585 4.260 1.00 0.00 N ATOM 114 CA GLU A 8 14.236 1.189 4.913 1.00 0.00 C ATOM 115 C GLU A 8 14.078 -0.182 5.576 1.00 0.00 C ATOM 116 O GLU A 8 15.042 -0.887 5.799 1.00 0.00 O ATOM 117 CB GLU A 8 14.609 2.226 5.974 1.00 0.00 C ATOM 118 CG GLU A 8 14.803 3.590 5.311 1.00 0.00 C ATOM 119 CD GLU A 8 15.091 4.643 6.383 1.00 0.00 C ATOM 120 OE1 GLU A 8 15.187 4.270 7.540 1.00 0.00 O ATOM 121 OE2 GLU A 8 15.212 5.804 6.028 1.00 0.00 O ATOM 0 H GLU A 8 12.650 2.540 4.446 1.00 0.00 H new ATOM 0 HA GLU A 8 15.022 1.137 4.159 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.826 2.286 6.730 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.523 1.925 6.485 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.627 3.546 4.599 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.910 3.863 4.749 1.00 0.00 H new ATOM 128 N GLN A 9 12.873 -0.564 5.902 1.00 0.00 N ATOM 129 CA GLN A 9 12.663 -1.883 6.560 1.00 0.00 C ATOM 130 C GLN A 9 12.323 -2.945 5.512 1.00 0.00 C ATOM 131 O GLN A 9 12.909 -4.009 5.479 1.00 0.00 O ATOM 132 CB GLN A 9 11.508 -1.762 7.554 1.00 0.00 C ATOM 133 CG GLN A 9 11.841 -0.694 8.598 1.00 0.00 C ATOM 134 CD GLN A 9 13.134 -1.071 9.323 1.00 0.00 C ATOM 135 OE1 GLN A 9 14.199 -0.603 8.972 1.00 0.00 O ATOM 136 NE2 GLN A 9 13.086 -1.902 10.327 1.00 0.00 N ATOM 0 H GLN A 9 12.026 -0.019 5.741 1.00 0.00 H new ATOM 0 HA GLN A 9 13.575 -2.178 7.079 1.00 0.00 H new ATOM 0 HB2 GLN A 9 10.589 -1.499 7.030 1.00 0.00 H new ATOM 0 HB3 GLN A 9 11.333 -2.721 8.042 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.952 0.278 8.116 1.00 0.00 H new ATOM 0 HG3 GLN A 9 11.024 -0.603 9.314 1.00 0.00 H new ATOM 0 HE21 GLN A 9 12.192 -2.295 10.622 1.00 0.00 H new ATOM 0 HE22 GLN A 9 13.942 -2.159 10.818 1.00 0.00 H new ATOM 145 N ILE A 10 11.376 -2.668 4.663 1.00 0.00 N ATOM 146 CA ILE A 10 10.983 -3.655 3.624 1.00 0.00 C ATOM 147 C ILE A 10 12.215 -4.306 3.011 1.00 0.00 C ATOM 148 O ILE A 10 13.251 -3.695 2.843 1.00 0.00 O ATOM 149 CB ILE A 10 10.178 -2.942 2.542 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.748 -2.774 3.036 1.00 0.00 C ATOM 151 CG2 ILE A 10 10.174 -3.756 1.239 1.00 0.00 C ATOM 152 CD1 ILE A 10 8.012 -1.856 2.079 1.00 0.00 C ATOM 0 H ILE A 10 10.853 -1.792 4.645 1.00 0.00 H new ATOM 0 HA ILE A 10 10.377 -4.436 4.082 1.00 0.00 H new ATOM 0 HB ILE A 10 10.631 -1.972 2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.250 -3.742 3.090 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.742 -2.355 4.042 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.594 -3.228 0.482 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.198 -3.885 0.887 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.727 -4.733 1.422 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.985 -1.725 2.418 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.511 -0.887 2.048 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.011 -2.295 1.082 1.00 0.00 H new ATOM 164 N ARG A 11 12.085 -5.550 2.668 1.00 0.00 N ATOM 165 CA ARG A 11 13.204 -6.286 2.050 1.00 0.00 C ATOM 166 C ARG A 11 12.735 -6.844 0.706 1.00 0.00 C ATOM 167 O ARG A 11 13.497 -7.438 -0.030 1.00 0.00 O ATOM 168 CB ARG A 11 13.601 -7.432 2.972 1.00 0.00 C ATOM 169 CG ARG A 11 14.432 -6.884 4.132 1.00 0.00 C ATOM 170 CD ARG A 11 15.297 -8.002 4.717 1.00 0.00 C ATOM 171 NE ARG A 11 14.445 -8.894 5.557 1.00 0.00 N ATOM 172 CZ ARG A 11 14.893 -10.057 5.951 1.00 0.00 C ATOM 173 NH1 ARG A 11 15.935 -10.595 5.374 1.00 0.00 N ATOM 174 NH2 ARG A 11 14.297 -10.684 6.928 1.00 0.00 N ATOM 0 H ARG A 11 11.232 -6.095 2.794 1.00 0.00 H new ATOM 0 HA ARG A 11 14.060 -5.629 1.896 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.711 -7.933 3.352 1.00 0.00 H new ATOM 0 HB3 ARG A 11 14.174 -8.177 2.419 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.063 -6.066 3.786 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.776 -6.477 4.902 1.00 0.00 H new ATOM 0 HD2 ARG A 11 15.763 -8.574 3.915 1.00 0.00 H new ATOM 0 HD3 ARG A 11 16.103 -7.579 5.317 1.00 0.00 H new ATOM 0 HE ARG A 11 13.508 -8.594 5.825 1.00 0.00 H new ATOM 0 HH11 ARG A 11 16.404 -10.107 4.611 1.00 0.00 H new ATOM 0 HH12 ARG A 11 16.279 -11.503 5.687 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.484 -10.266 7.381 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.644 -11.592 7.238 1.00 0.00 H new ATOM 188 N SER A 12 11.480 -6.659 0.381 1.00 0.00 N ATOM 189 CA SER A 12 10.970 -7.185 -0.916 1.00 0.00 C ATOM 190 C SER A 12 9.513 -6.759 -1.130 1.00 0.00 C ATOM 191 O SER A 12 8.817 -6.358 -0.211 1.00 0.00 O ATOM 192 CB SER A 12 11.053 -8.712 -0.909 1.00 0.00 C ATOM 193 OG SER A 12 11.647 -9.156 -2.121 1.00 0.00 O ATOM 0 H SER A 12 10.793 -6.170 0.955 1.00 0.00 H new ATOM 0 HA SER A 12 11.579 -6.781 -1.725 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.641 -9.052 -0.057 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.057 -9.141 -0.800 1.00 0.00 H new ATOM 0 HG SER A 12 11.703 -10.134 -2.119 1.00 0.00 H new ATOM 199 N ILE A 13 9.048 -6.852 -2.346 1.00 0.00 N ATOM 200 CA ILE A 13 7.642 -6.468 -2.645 1.00 0.00 C ATOM 201 C ILE A 13 6.712 -7.162 -1.647 1.00 0.00 C ATOM 202 O ILE A 13 5.831 -6.549 -1.067 1.00 0.00 O ATOM 203 CB ILE A 13 7.300 -6.906 -4.070 1.00 0.00 C ATOM 204 CG1 ILE A 13 5.921 -6.376 -4.465 1.00 0.00 C ATOM 205 CG2 ILE A 13 7.290 -8.432 -4.140 1.00 0.00 C ATOM 206 CD1 ILE A 13 5.772 -4.918 -4.017 1.00 0.00 C ATOM 0 H ILE A 13 9.586 -7.179 -3.148 1.00 0.00 H new ATOM 0 HA ILE A 13 7.519 -5.388 -2.560 1.00 0.00 H new ATOM 0 HB ILE A 13 8.048 -6.506 -4.755 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.790 -6.449 -5.545 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.143 -6.987 -4.008 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.047 -8.748 -5.154 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.273 -8.815 -3.867 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.543 -8.823 -3.449 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.787 -4.549 -4.302 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.883 -4.857 -2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.540 -4.310 -4.495 1.00 0.00 H new ATOM 218 N SER A 14 6.910 -8.436 -1.425 1.00 0.00 N ATOM 219 CA SER A 14 6.049 -9.155 -0.449 1.00 0.00 C ATOM 220 C SER A 14 6.022 -8.342 0.839 1.00 0.00 C ATOM 221 O SER A 14 4.983 -8.104 1.419 1.00 0.00 O ATOM 222 CB SER A 14 6.635 -10.539 -0.170 1.00 0.00 C ATOM 223 OG SER A 14 5.582 -11.442 0.140 1.00 0.00 O ATOM 0 H SER A 14 7.627 -9.004 -1.876 1.00 0.00 H new ATOM 0 HA SER A 14 5.041 -9.274 -0.846 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.189 -10.894 -1.039 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.341 -10.487 0.659 1.00 0.00 H new ATOM 0 HG SER A 14 5.955 -12.331 0.318 1.00 0.00 H new ATOM 229 N ASP A 15 7.168 -7.897 1.275 1.00 0.00 N ATOM 230 CA ASP A 15 7.236 -7.078 2.508 1.00 0.00 C ATOM 231 C ASP A 15 6.344 -5.854 2.340 1.00 0.00 C ATOM 232 O ASP A 15 5.636 -5.457 3.240 1.00 0.00 O ATOM 233 CB ASP A 15 8.669 -6.606 2.723 1.00 0.00 C ATOM 234 CG ASP A 15 9.180 -7.107 4.076 1.00 0.00 C ATOM 235 OD1 ASP A 15 8.375 -7.216 4.986 1.00 0.00 O ATOM 236 OD2 ASP A 15 10.366 -7.372 4.178 1.00 0.00 O ATOM 0 H ASP A 15 8.066 -8.070 0.823 1.00 0.00 H new ATOM 0 HA ASP A 15 6.907 -7.674 3.360 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.308 -6.977 1.922 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.713 -5.517 2.687 1.00 0.00 H new ATOM 241 N LEU A 16 6.380 -5.253 1.186 1.00 0.00 N ATOM 242 CA LEU A 16 5.539 -4.050 0.946 1.00 0.00 C ATOM 243 C LEU A 16 4.087 -4.400 1.258 1.00 0.00 C ATOM 244 O LEU A 16 3.425 -3.756 2.057 1.00 0.00 O ATOM 245 CB LEU A 16 5.664 -3.641 -0.524 1.00 0.00 C ATOM 246 CG LEU A 16 5.068 -2.248 -0.733 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.732 -1.257 0.223 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.314 -1.801 -2.176 1.00 0.00 C ATOM 0 H LEU A 16 6.957 -5.544 0.397 1.00 0.00 H new ATOM 0 HA LEU A 16 5.864 -3.226 1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.712 -3.646 -0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.149 -4.364 -1.156 1.00 0.00 H new ATOM 0 HG LEU A 16 3.996 -2.280 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.306 -0.265 0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.560 -1.573 1.252 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.804 -1.225 0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.890 -0.808 -2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.386 -1.771 -2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.841 -2.505 -2.861 1.00 0.00 H new ATOM 260 N HIS A 17 3.594 -5.431 0.639 1.00 0.00 N ATOM 261 CA HIS A 17 2.201 -5.857 0.883 1.00 0.00 C ATOM 262 C HIS A 17 2.096 -6.401 2.307 1.00 0.00 C ATOM 263 O HIS A 17 1.025 -6.523 2.864 1.00 0.00 O ATOM 264 CB HIS A 17 1.846 -6.939 -0.132 1.00 0.00 C ATOM 265 CG HIS A 17 2.272 -6.484 -1.501 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.642 -5.440 -2.163 1.00 0.00 N ATOM 267 CD2 HIS A 17 3.265 -6.914 -2.343 1.00 0.00 C ATOM 268 CE1 HIS A 17 2.259 -5.281 -3.349 1.00 0.00 C ATOM 269 NE2 HIS A 17 3.253 -6.153 -3.508 1.00 0.00 N ATOM 0 H HIS A 17 4.107 -6.001 -0.033 1.00 0.00 H new ATOM 0 HA HIS A 17 1.510 -5.021 0.774 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.343 -7.874 0.125 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.773 -7.133 -0.116 1.00 0.00 H new ATOM 0 HD1 HIS A 17 0.855 -4.893 -1.815 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.952 -7.721 -2.134 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.982 -4.537 -4.082 1.00 0.00 H new ATOM 277 N GLN A 18 3.208 -6.716 2.910 1.00 0.00 N ATOM 278 CA GLN A 18 3.177 -7.231 4.297 1.00 0.00 C ATOM 279 C GLN A 18 2.745 -6.097 5.224 1.00 0.00 C ATOM 280 O GLN A 18 1.789 -6.214 5.967 1.00 0.00 O ATOM 281 CB GLN A 18 4.570 -7.722 4.696 1.00 0.00 C ATOM 282 CG GLN A 18 4.455 -8.664 5.896 1.00 0.00 C ATOM 283 CD GLN A 18 5.713 -9.529 5.990 1.00 0.00 C ATOM 284 OE1 GLN A 18 5.877 -10.466 5.235 1.00 0.00 O ATOM 285 NE2 GLN A 18 6.614 -9.251 6.892 1.00 0.00 N ATOM 0 H GLN A 18 4.137 -6.637 2.497 1.00 0.00 H new ATOM 0 HA GLN A 18 2.476 -8.063 4.372 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.039 -8.238 3.858 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.208 -6.874 4.945 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.328 -8.088 6.813 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.573 -9.296 5.792 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.475 -8.464 7.526 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.457 -9.821 6.963 1.00 0.00 H new ATOM 294 N THR A 19 3.440 -4.993 5.179 1.00 0.00 N ATOM 295 CA THR A 19 3.071 -3.852 6.043 1.00 0.00 C ATOM 296 C THR A 19 1.693 -3.346 5.603 1.00 0.00 C ATOM 297 O THR A 19 0.867 -2.994 6.415 1.00 0.00 O ATOM 298 CB THR A 19 4.147 -2.748 5.930 1.00 0.00 C ATOM 299 OG1 THR A 19 4.736 -2.547 7.207 1.00 0.00 O ATOM 300 CG2 THR A 19 3.538 -1.421 5.458 1.00 0.00 C ATOM 0 H THR A 19 4.249 -4.838 4.577 1.00 0.00 H new ATOM 0 HA THR A 19 3.019 -4.154 7.089 1.00 0.00 H new ATOM 0 HB THR A 19 4.891 -3.068 5.201 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.421 -1.849 7.145 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.321 -0.666 5.389 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.079 -1.559 4.479 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.781 -1.094 6.171 1.00 0.00 H new ATOM 308 N LEU A 20 1.437 -3.321 4.322 1.00 0.00 N ATOM 309 CA LEU A 20 0.117 -2.858 3.843 1.00 0.00 C ATOM 310 C LEU A 20 -0.959 -3.767 4.431 1.00 0.00 C ATOM 311 O LEU A 20 -2.051 -3.354 4.739 1.00 0.00 O ATOM 312 CB LEU A 20 0.085 -2.961 2.323 1.00 0.00 C ATOM 313 CG LEU A 20 1.004 -1.903 1.713 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.995 -2.043 0.192 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.512 -0.507 2.104 1.00 0.00 C ATOM 0 H LEU A 20 2.090 -3.603 3.591 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.059 -1.826 4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.402 -3.956 2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.934 -2.823 1.961 1.00 0.00 H new ATOM 0 HG LEU A 20 2.019 -2.043 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.650 -1.290 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.349 -3.036 -0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.020 -1.903 -0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.169 0.246 1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.503 -0.362 1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.519 -0.410 3.190 1.00 0.00 H new ATOM 327 N LYS A 21 -0.635 -5.012 4.574 1.00 0.00 N ATOM 328 CA LYS A 21 -1.596 -6.006 5.129 1.00 0.00 C ATOM 329 C LYS A 21 -1.774 -5.776 6.629 1.00 0.00 C ATOM 330 O LYS A 21 -2.857 -5.900 7.157 1.00 0.00 O ATOM 331 CB LYS A 21 -1.051 -7.415 4.896 1.00 0.00 C ATOM 332 CG LYS A 21 -1.964 -8.438 5.574 1.00 0.00 C ATOM 333 CD LYS A 21 -1.112 -9.465 6.323 1.00 0.00 C ATOM 334 CE LYS A 21 -1.072 -10.772 5.530 1.00 0.00 C ATOM 335 NZ LYS A 21 -1.454 -11.905 6.419 1.00 0.00 N ATOM 0 H LYS A 21 0.276 -5.397 4.325 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.559 -5.893 4.632 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.990 -7.620 3.827 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.040 -7.495 5.295 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.640 -7.936 6.266 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.584 -8.938 4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.101 -9.082 6.463 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.526 -9.642 7.315 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.754 -10.716 4.681 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.073 -10.934 5.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.427 -12.794 5.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.787 -11.962 7.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.416 -11.751 6.784 1.00 0.00 H new ATOM 349 N LYS A 22 -0.722 -5.446 7.322 1.00 0.00 N ATOM 350 CA LYS A 22 -0.846 -5.211 8.781 1.00 0.00 C ATOM 351 C LYS A 22 -1.725 -3.987 9.007 1.00 0.00 C ATOM 352 O LYS A 22 -2.716 -4.028 9.709 1.00 0.00 O ATOM 353 CB LYS A 22 0.537 -4.944 9.367 1.00 0.00 C ATOM 354 CG LYS A 22 0.711 -5.753 10.655 1.00 0.00 C ATOM 355 CD LYS A 22 2.163 -5.663 11.126 1.00 0.00 C ATOM 356 CE LYS A 22 2.341 -6.503 12.393 1.00 0.00 C ATOM 357 NZ LYS A 22 3.733 -7.033 12.446 1.00 0.00 N ATOM 0 H LYS A 22 0.216 -5.330 6.940 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.286 -6.084 9.262 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.308 -5.217 8.646 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.657 -3.881 9.574 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.043 -5.373 11.428 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.438 -6.794 10.482 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.833 -6.019 10.344 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.428 -4.625 11.325 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.137 -5.897 13.276 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.627 -7.326 12.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.855 -7.604 13.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.911 -7.625 11.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.406 -6.240 12.458 1.00 0.00 H new ATOM 371 N GLU A 23 -1.358 -2.898 8.401 1.00 0.00 N ATOM 372 CA GLU A 23 -2.133 -1.649 8.537 1.00 0.00 C ATOM 373 C GLU A 23 -3.542 -1.881 8.011 1.00 0.00 C ATOM 374 O GLU A 23 -4.517 -1.814 8.733 1.00 0.00 O ATOM 375 CB GLU A 23 -1.445 -0.580 7.694 1.00 0.00 C ATOM 376 CG GLU A 23 -0.139 -0.168 8.373 1.00 0.00 C ATOM 377 CD GLU A 23 -0.450 0.569 9.677 1.00 0.00 C ATOM 378 OE1 GLU A 23 -1.620 0.707 9.992 1.00 0.00 O ATOM 379 OE2 GLU A 23 0.488 0.982 10.339 1.00 0.00 O ATOM 0 H GLU A 23 -0.534 -2.824 7.805 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.186 -1.336 9.580 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.244 -0.963 6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.098 0.285 7.579 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.470 -1.049 8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.441 0.474 7.710 1.00 0.00 H new ATOM 386 N LEU A 24 -3.640 -2.163 6.749 1.00 0.00 N ATOM 387 CA LEU A 24 -4.956 -2.420 6.124 1.00 0.00 C ATOM 388 C LEU A 24 -5.587 -3.659 6.758 1.00 0.00 C ATOM 389 O LEU A 24 -6.744 -3.957 6.540 1.00 0.00 O ATOM 390 CB LEU A 24 -4.735 -2.675 4.635 1.00 0.00 C ATOM 391 CG LEU A 24 -4.069 -1.457 3.999 1.00 0.00 C ATOM 392 CD1 LEU A 24 -3.097 -1.920 2.913 1.00 0.00 C ATOM 393 CD2 LEU A 24 -5.138 -0.557 3.378 1.00 0.00 C ATOM 0 H LEU A 24 -2.846 -2.227 6.112 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.616 -1.565 6.271 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.110 -3.557 4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.687 -2.878 4.145 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.525 -0.899 4.761 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.620 -1.052 2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.335 -2.562 3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.642 -2.477 2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.663 0.313 2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.683 -1.113 2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.832 -0.228 4.152 1.00 0.00 H new ATOM 405 N ALA A 25 -4.832 -4.396 7.528 1.00 0.00 N ATOM 406 CA ALA A 25 -5.389 -5.620 8.153 1.00 0.00 C ATOM 407 C ALA A 25 -6.042 -6.471 7.067 1.00 0.00 C ATOM 408 O ALA A 25 -7.157 -6.934 7.206 1.00 0.00 O ATOM 409 CB ALA A 25 -6.419 -5.215 9.199 1.00 0.00 C ATOM 0 H ALA A 25 -3.856 -4.200 7.748 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.601 -6.198 8.636 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.835 -6.108 9.665 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.941 -4.598 9.960 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.219 -4.649 8.722 1.00 0.00 H new ATOM 415 N LEU A 26 -5.349 -6.671 5.979 1.00 0.00 N ATOM 416 CA LEU A 26 -5.914 -7.482 4.867 1.00 0.00 C ATOM 417 C LEU A 26 -6.136 -8.921 5.338 1.00 0.00 C ATOM 418 O LEU A 26 -5.523 -9.362 6.289 1.00 0.00 O ATOM 419 CB LEU A 26 -4.936 -7.470 3.692 1.00 0.00 C ATOM 420 CG LEU A 26 -4.629 -6.022 3.319 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.530 -5.980 2.263 1.00 0.00 C ATOM 422 CD2 LEU A 26 -5.894 -5.363 2.767 1.00 0.00 C ATOM 0 H LEU A 26 -4.411 -6.305 5.813 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.869 -7.059 4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.018 -7.993 3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.365 -7.996 2.839 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.292 -5.485 4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.316 -4.944 2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.628 -6.448 2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.859 -6.518 1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.678 -4.329 2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.230 -5.904 1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.677 -5.386 3.525 1.00 0.00 H new ATOM 434 N PRO A 27 -7.012 -9.608 4.652 1.00 0.00 N ATOM 435 CA PRO A 27 -7.340 -11.004 4.977 1.00 0.00 C ATOM 436 C PRO A 27 -6.095 -11.883 4.870 1.00 0.00 C ATOM 437 O PRO A 27 -4.984 -11.402 4.772 1.00 0.00 O ATOM 438 CB PRO A 27 -8.377 -11.420 3.926 1.00 0.00 C ATOM 439 CG PRO A 27 -8.635 -10.198 3.008 1.00 0.00 C ATOM 440 CD PRO A 27 -7.742 -9.050 3.499 1.00 0.00 C ATOM 0 HA PRO A 27 -7.717 -11.111 5.994 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.012 -12.266 3.343 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.302 -11.739 4.407 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.407 -10.444 1.971 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.685 -9.908 3.043 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.056 -8.721 2.718 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.336 -8.183 3.789 1.00 0.00 H new ATOM 448 N GLU A 28 -6.280 -13.171 4.884 1.00 0.00 N ATOM 449 CA GLU A 28 -5.124 -14.098 4.780 1.00 0.00 C ATOM 450 C GLU A 28 -4.804 -14.322 3.304 1.00 0.00 C ATOM 451 O GLU A 28 -3.664 -14.481 2.915 1.00 0.00 O ATOM 452 CB GLU A 28 -5.501 -15.419 5.472 1.00 0.00 C ATOM 453 CG GLU A 28 -5.628 -16.575 4.467 1.00 0.00 C ATOM 454 CD GLU A 28 -6.434 -17.713 5.097 1.00 0.00 C ATOM 455 OE1 GLU A 28 -7.160 -17.446 6.040 1.00 0.00 O ATOM 456 OE2 GLU A 28 -6.312 -18.831 4.624 1.00 0.00 O ATOM 0 H GLU A 28 -7.190 -13.624 4.964 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.240 -13.684 5.265 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.746 -15.667 6.218 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.444 -15.294 6.004 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.118 -16.228 3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.639 -16.931 4.180 1.00 0.00 H new ATOM 463 N TYR A 29 -5.814 -14.339 2.485 1.00 0.00 N ATOM 464 CA TYR A 29 -5.590 -14.557 1.033 1.00 0.00 C ATOM 465 C TYR A 29 -5.029 -13.285 0.392 1.00 0.00 C ATOM 466 O TYR A 29 -4.878 -13.215 -0.812 1.00 0.00 O ATOM 467 CB TYR A 29 -6.909 -14.943 0.357 1.00 0.00 C ATOM 468 CG TYR A 29 -7.865 -13.774 0.383 1.00 0.00 C ATOM 469 CD1 TYR A 29 -8.655 -13.541 1.515 1.00 0.00 C ATOM 470 CD2 TYR A 29 -7.967 -12.928 -0.728 1.00 0.00 C ATOM 471 CE1 TYR A 29 -9.546 -12.461 1.536 1.00 0.00 C ATOM 472 CE2 TYR A 29 -8.860 -11.849 -0.707 1.00 0.00 C ATOM 473 CZ TYR A 29 -9.649 -11.616 0.425 1.00 0.00 C ATOM 474 OH TYR A 29 -10.529 -10.553 0.445 1.00 0.00 O ATOM 0 H TYR A 29 -6.788 -14.211 2.759 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.871 -15.365 0.902 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.723 -15.249 -0.673 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.353 -15.797 0.868 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.577 -14.194 2.372 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.357 -13.107 -1.601 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -10.154 -12.280 2.410 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.940 -11.197 -1.564 1.00 0.00 H new ATOM 0 HH TYR A 29 -10.475 -10.067 -0.405 1.00 0.00 H new ATOM 484 N TYR A 30 -4.711 -12.280 1.175 1.00 0.00 N ATOM 485 CA TYR A 30 -4.150 -11.032 0.570 1.00 0.00 C ATOM 486 C TYR A 30 -3.101 -11.429 -0.472 1.00 0.00 C ATOM 487 O TYR A 30 -1.974 -11.740 -0.145 1.00 0.00 O ATOM 488 CB TYR A 30 -3.495 -10.158 1.650 1.00 0.00 C ATOM 489 CG TYR A 30 -2.917 -8.909 1.009 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.537 -8.353 -0.116 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.758 -8.312 1.534 1.00 0.00 C ATOM 492 CE1 TYR A 30 -3.005 -7.206 -0.717 1.00 0.00 C ATOM 493 CE2 TYR A 30 -1.223 -7.159 0.930 1.00 0.00 C ATOM 494 CZ TYR A 30 -1.849 -6.611 -0.196 1.00 0.00 C ATOM 495 OH TYR A 30 -1.328 -5.480 -0.792 1.00 0.00 O ATOM 0 H TYR A 30 -4.814 -12.270 2.190 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.953 -10.460 0.105 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.230 -9.884 2.407 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.708 -10.717 2.157 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.428 -8.810 -0.521 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.277 -8.739 2.402 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.487 -6.779 -1.584 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.333 -6.699 1.333 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.526 -5.194 -0.307 1.00 0.00 H new ATOM 505 N GLY A 31 -3.473 -11.442 -1.723 1.00 0.00 N ATOM 506 CA GLY A 31 -2.510 -11.842 -2.789 1.00 0.00 C ATOM 507 C GLY A 31 -1.295 -10.914 -2.778 1.00 0.00 C ATOM 508 O GLY A 31 -0.228 -11.278 -3.229 1.00 0.00 O ATOM 0 H GLY A 31 -4.405 -11.192 -2.054 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.191 -12.873 -2.633 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.998 -11.803 -3.763 1.00 0.00 H new ATOM 512 N GLU A 32 -1.452 -9.717 -2.278 1.00 0.00 N ATOM 513 CA GLU A 32 -0.310 -8.754 -2.243 1.00 0.00 C ATOM 514 C GLU A 32 -0.147 -8.097 -3.616 1.00 0.00 C ATOM 515 O GLU A 32 0.590 -7.147 -3.772 1.00 0.00 O ATOM 516 CB GLU A 32 0.984 -9.485 -1.873 1.00 0.00 C ATOM 517 CG GLU A 32 0.713 -10.455 -0.721 1.00 0.00 C ATOM 518 CD GLU A 32 1.198 -11.853 -1.105 1.00 0.00 C ATOM 519 OE1 GLU A 32 2.359 -11.980 -1.458 1.00 0.00 O ATOM 520 OE2 GLU A 32 0.401 -12.774 -1.039 1.00 0.00 O ATOM 0 H GLU A 32 -2.326 -9.362 -1.890 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.516 -7.990 -1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.367 -10.028 -2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.750 -8.766 -1.584 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.223 -10.117 0.181 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.353 -10.478 -0.494 1.00 0.00 H new ATOM 527 N ASN A 33 -0.827 -8.589 -4.613 1.00 0.00 N ATOM 528 CA ASN A 33 -0.698 -7.976 -5.970 1.00 0.00 C ATOM 529 C ASN A 33 -1.586 -6.734 -6.061 1.00 0.00 C ATOM 530 O ASN A 33 -2.153 -6.287 -5.085 1.00 0.00 O ATOM 531 CB ASN A 33 -1.102 -8.977 -7.067 1.00 0.00 C ATOM 532 CG ASN A 33 -1.993 -10.081 -6.493 1.00 0.00 C ATOM 533 OD1 ASN A 33 -1.508 -11.010 -5.877 1.00 0.00 O ATOM 534 ND2 ASN A 33 -3.284 -10.021 -6.669 1.00 0.00 N ATOM 0 H ASN A 33 -1.463 -9.384 -4.551 1.00 0.00 H new ATOM 0 HA ASN A 33 0.345 -7.697 -6.122 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.630 -8.455 -7.865 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.209 -9.418 -7.510 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.885 -10.753 -6.290 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.693 -9.242 -7.186 1.00 0.00 H new ATOM 541 N LEU A 34 -1.707 -6.175 -7.233 1.00 0.00 N ATOM 542 CA LEU A 34 -2.555 -4.962 -7.411 1.00 0.00 C ATOM 543 C LEU A 34 -4.021 -5.373 -7.428 1.00 0.00 C ATOM 544 O LEU A 34 -4.887 -4.681 -6.945 1.00 0.00 O ATOM 545 CB LEU A 34 -2.222 -4.323 -8.749 1.00 0.00 C ATOM 546 CG LEU A 34 -0.832 -3.693 -8.686 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.464 -3.129 -10.060 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.834 -2.564 -7.655 1.00 0.00 C ATOM 0 H LEU A 34 -1.251 -6.509 -8.082 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.370 -4.262 -6.596 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.257 -5.072 -9.540 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.965 -3.565 -8.996 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.102 -4.449 -8.398 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.528 -2.679 -10.015 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.465 -3.933 -10.796 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.193 -2.372 -10.350 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.157 -2.113 -7.608 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.564 -1.808 -7.945 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.097 -2.966 -6.676 1.00 0.00 H new ATOM 560 N ASP A 35 -4.289 -6.496 -8.003 1.00 0.00 N ATOM 561 CA ASP A 35 -5.683 -6.998 -8.087 1.00 0.00 C ATOM 562 C ASP A 35 -6.203 -7.303 -6.685 1.00 0.00 C ATOM 563 O ASP A 35 -7.362 -7.106 -6.382 1.00 0.00 O ATOM 564 CB ASP A 35 -5.678 -8.289 -8.888 1.00 0.00 C ATOM 565 CG ASP A 35 -5.488 -7.976 -10.373 1.00 0.00 C ATOM 566 OD1 ASP A 35 -5.227 -6.827 -10.687 1.00 0.00 O ATOM 567 OD2 ASP A 35 -5.607 -8.891 -11.171 1.00 0.00 O ATOM 0 H ASP A 35 -3.590 -7.104 -8.429 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.318 -6.248 -8.559 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.877 -8.941 -8.539 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.615 -8.825 -8.737 1.00 0.00 H new ATOM 572 N ALA A 36 -5.350 -7.792 -5.831 1.00 0.00 N ATOM 573 CA ALA A 36 -5.792 -8.120 -4.446 1.00 0.00 C ATOM 574 C ALA A 36 -5.801 -6.849 -3.623 1.00 0.00 C ATOM 575 O ALA A 36 -6.802 -6.463 -3.058 1.00 0.00 O ATOM 576 CB ALA A 36 -4.829 -9.114 -3.809 1.00 0.00 C ATOM 0 H ALA A 36 -4.367 -7.979 -6.030 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.789 -8.560 -4.481 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.162 -9.346 -2.797 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.805 -10.028 -4.402 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.830 -8.680 -3.771 1.00 0.00 H new ATOM 582 N LEU A 37 -4.685 -6.190 -3.566 1.00 0.00 N ATOM 583 CA LEU A 37 -4.610 -4.925 -2.796 1.00 0.00 C ATOM 584 C LEU A 37 -5.824 -4.086 -3.169 1.00 0.00 C ATOM 585 O LEU A 37 -6.592 -3.643 -2.336 1.00 0.00 O ATOM 586 CB LEU A 37 -3.335 -4.176 -3.190 1.00 0.00 C ATOM 587 CG LEU A 37 -3.450 -2.714 -2.752 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.446 -2.636 -1.224 1.00 0.00 C ATOM 589 CD2 LEU A 37 -2.270 -1.912 -3.307 1.00 0.00 C ATOM 0 H LEU A 37 -3.817 -6.474 -4.021 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.594 -5.122 -1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.467 -4.641 -2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.184 -4.234 -4.268 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.381 -2.297 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.528 -1.595 -0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.291 -3.200 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.517 -3.057 -0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.357 -0.872 -2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.337 -2.329 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.275 -1.963 -4.396 1.00 0.00 H new ATOM 601 N TRP A 38 -5.992 -3.877 -4.436 1.00 0.00 N ATOM 602 CA TRP A 38 -7.137 -3.090 -4.921 1.00 0.00 C ATOM 603 C TRP A 38 -8.413 -3.744 -4.449 1.00 0.00 C ATOM 604 O TRP A 38 -9.238 -3.145 -3.792 1.00 0.00 O ATOM 605 CB TRP A 38 -7.149 -3.086 -6.446 1.00 0.00 C ATOM 606 CG TRP A 38 -8.322 -2.296 -6.891 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.552 -2.794 -7.093 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.400 -0.878 -7.156 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.392 -1.764 -7.483 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.720 -0.556 -7.534 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.455 0.143 -7.106 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -10.085 0.753 -7.851 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.803 1.451 -7.415 1.00 0.00 C ATOM 614 CH2 TRP A 38 -9.120 1.767 -7.788 1.00 0.00 C ATOM 0 H TRP A 38 -5.371 -4.226 -5.166 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.058 -2.071 -4.543 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.227 -2.652 -6.834 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.207 -4.105 -6.830 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.839 -3.828 -6.971 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.381 -1.881 -7.704 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.438 -0.085 -6.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.100 0.982 -8.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -7.057 2.230 -7.368 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -9.387 2.786 -8.025 1.00 0.00 H new ATOM 625 N ASP A 39 -8.571 -4.983 -4.786 1.00 0.00 N ATOM 626 CA ASP A 39 -9.788 -5.716 -4.370 1.00 0.00 C ATOM 627 C ASP A 39 -10.066 -5.399 -2.905 1.00 0.00 C ATOM 628 O ASP A 39 -11.191 -5.450 -2.447 1.00 0.00 O ATOM 629 CB ASP A 39 -9.565 -7.217 -4.540 1.00 0.00 C ATOM 630 CG ASP A 39 -10.165 -7.676 -5.870 1.00 0.00 C ATOM 631 OD1 ASP A 39 -10.968 -6.941 -6.420 1.00 0.00 O ATOM 632 OD2 ASP A 39 -9.810 -8.755 -6.316 1.00 0.00 O ATOM 0 H ASP A 39 -7.905 -5.525 -5.336 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.636 -5.414 -4.984 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.499 -7.442 -4.513 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.026 -7.759 -3.715 1.00 0.00 H new ATOM 637 N CYS A 40 -9.044 -5.059 -2.167 1.00 0.00 N ATOM 638 CA CYS A 40 -9.248 -4.725 -0.733 1.00 0.00 C ATOM 639 C CYS A 40 -9.751 -3.283 -0.614 1.00 0.00 C ATOM 640 O CYS A 40 -10.741 -3.019 0.035 1.00 0.00 O ATOM 641 CB CYS A 40 -7.930 -4.877 0.028 1.00 0.00 C ATOM 642 SG CYS A 40 -7.836 -6.539 0.739 1.00 0.00 S ATOM 0 H CYS A 40 -8.080 -4.999 -2.496 1.00 0.00 H new ATOM 0 HA CYS A 40 -9.985 -5.404 -0.305 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.088 -4.708 -0.643 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.864 -4.128 0.817 1.00 0.00 H new ATOM 0 HG CYS A 40 -8.539 -6.584 1.831 1.00 0.00 H new ATOM 648 N LEU A 41 -9.079 -2.344 -1.229 1.00 0.00 N ATOM 649 CA LEU A 41 -9.520 -0.933 -1.137 1.00 0.00 C ATOM 650 C LEU A 41 -10.971 -0.787 -1.607 1.00 0.00 C ATOM 651 O LEU A 41 -11.804 -0.226 -0.922 1.00 0.00 O ATOM 652 CB LEU A 41 -8.617 -0.091 -2.030 1.00 0.00 C ATOM 653 CG LEU A 41 -7.162 -0.538 -1.868 1.00 0.00 C ATOM 654 CD1 LEU A 41 -6.249 0.551 -2.401 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.846 -0.779 -0.390 1.00 0.00 C ATOM 0 H LEU A 41 -8.242 -2.501 -1.791 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.458 -0.602 -0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.924 -0.192 -3.071 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.714 0.963 -1.770 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.007 -1.464 -2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.210 0.241 -2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.465 0.723 -3.455 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.415 1.471 -1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.808 -1.097 -0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.001 0.143 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.504 -1.556 0.001 1.00 0.00 H new ATOM 667 N THR A 42 -11.269 -1.260 -2.784 1.00 0.00 N ATOM 668 CA THR A 42 -12.644 -1.126 -3.325 1.00 0.00 C ATOM 669 C THR A 42 -13.630 -1.992 -2.537 1.00 0.00 C ATOM 670 O THR A 42 -14.817 -1.973 -2.796 1.00 0.00 O ATOM 671 CB THR A 42 -12.649 -1.554 -4.793 1.00 0.00 C ATOM 672 OG1 THR A 42 -11.923 -2.767 -4.934 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.995 -0.461 -5.642 1.00 0.00 C ATOM 0 H THR A 42 -10.610 -1.738 -3.398 1.00 0.00 H new ATOM 0 HA THR A 42 -12.955 -0.085 -3.235 1.00 0.00 H new ATOM 0 HB THR A 42 -13.675 -1.707 -5.127 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.262 -2.671 -5.651 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.997 -0.764 -6.689 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.554 0.468 -5.532 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.968 -0.309 -5.311 1.00 0.00 H new ATOM 681 N GLY A 43 -13.169 -2.754 -1.582 1.00 0.00 N ATOM 682 CA GLY A 43 -14.127 -3.604 -0.812 1.00 0.00 C ATOM 683 C GLY A 43 -13.446 -4.266 0.391 1.00 0.00 C ATOM 684 O GLY A 43 -13.441 -5.474 0.519 1.00 0.00 O ATOM 0 H GLY A 43 -12.190 -2.826 -1.304 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.962 -2.994 -0.469 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.541 -4.372 -1.466 1.00 0.00 H new ATOM 688 N TRP A 44 -12.887 -3.495 1.284 1.00 0.00 N ATOM 689 CA TRP A 44 -12.232 -4.095 2.478 1.00 0.00 C ATOM 690 C TRP A 44 -11.620 -2.985 3.331 1.00 0.00 C ATOM 691 O TRP A 44 -12.069 -2.704 4.425 1.00 0.00 O ATOM 692 CB TRP A 44 -11.136 -5.054 2.024 1.00 0.00 C ATOM 693 CG TRP A 44 -10.494 -5.675 3.220 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.389 -5.201 3.837 1.00 0.00 C ATOM 695 CD2 TRP A 44 -10.895 -6.867 3.956 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.082 -6.028 4.903 1.00 0.00 N ATOM 697 CE2 TRP A 44 -9.983 -7.069 5.018 1.00 0.00 C ATOM 698 CE3 TRP A 44 -11.951 -7.785 3.805 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -10.113 -8.142 5.900 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -12.085 -8.866 4.691 1.00 0.00 C ATOM 701 CH2 TRP A 44 -11.167 -9.044 5.737 1.00 0.00 C ATOM 0 H TRP A 44 -12.856 -2.477 1.237 1.00 0.00 H new ATOM 0 HA TRP A 44 -12.970 -4.640 3.067 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.557 -5.827 1.381 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.391 -4.520 1.434 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.836 -4.320 3.546 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.288 -5.886 5.527 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.663 -7.657 3.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.403 -8.274 6.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -12.899 -9.564 4.567 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -11.275 -9.877 6.415 1.00 0.00 H new ATOM 712 N VAL A 45 -10.597 -2.355 2.834 1.00 0.00 N ATOM 713 CA VAL A 45 -9.940 -1.263 3.594 1.00 0.00 C ATOM 714 C VAL A 45 -10.995 -0.320 4.164 1.00 0.00 C ATOM 715 O VAL A 45 -11.782 0.255 3.439 1.00 0.00 O ATOM 716 CB VAL A 45 -9.030 -0.479 2.650 1.00 0.00 C ATOM 717 CG1 VAL A 45 -8.459 0.742 3.377 1.00 0.00 C ATOM 718 CG2 VAL A 45 -7.890 -1.387 2.182 1.00 0.00 C ATOM 0 H VAL A 45 -10.184 -2.553 1.923 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.358 -1.690 4.411 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.603 -0.140 1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.811 1.298 2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.276 1.384 3.707 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.884 0.414 4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.237 -0.833 1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.317 -1.726 3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.303 -2.250 1.659 1.00 0.00 H new ATOM 728 N GLU A 46 -11.008 -0.134 5.454 1.00 0.00 N ATOM 729 CA GLU A 46 -12.004 0.796 6.044 1.00 0.00 C ATOM 730 C GLU A 46 -11.499 2.221 5.844 1.00 0.00 C ATOM 731 O GLU A 46 -10.361 2.534 6.131 1.00 0.00 O ATOM 732 CB GLU A 46 -12.173 0.515 7.535 1.00 0.00 C ATOM 733 CG GLU A 46 -12.954 -0.787 7.726 1.00 0.00 C ATOM 734 CD GLU A 46 -14.455 -0.494 7.678 1.00 0.00 C ATOM 735 OE1 GLU A 46 -14.817 0.666 7.789 1.00 0.00 O ATOM 736 OE2 GLU A 46 -15.218 -1.435 7.531 1.00 0.00 O ATOM 0 H GLU A 46 -10.377 -0.582 6.119 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.970 0.661 5.558 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.197 0.439 8.014 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.700 1.341 8.014 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.687 -1.501 6.947 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.692 -1.244 8.680 1.00 0.00 H new ATOM 743 N TYR A 47 -12.328 3.080 5.337 1.00 0.00 N ATOM 744 CA TYR A 47 -11.893 4.481 5.096 1.00 0.00 C ATOM 745 C TYR A 47 -12.581 5.402 6.112 1.00 0.00 C ATOM 746 O TYR A 47 -13.535 4.998 6.746 1.00 0.00 O ATOM 747 CB TYR A 47 -12.278 4.866 3.665 1.00 0.00 C ATOM 748 CG TYR A 47 -11.412 4.091 2.696 1.00 0.00 C ATOM 749 CD1 TYR A 47 -10.015 4.175 2.780 1.00 0.00 C ATOM 750 CD2 TYR A 47 -12.003 3.284 1.716 1.00 0.00 C ATOM 751 CE1 TYR A 47 -9.213 3.458 1.887 1.00 0.00 C ATOM 752 CE2 TYR A 47 -11.197 2.565 0.824 1.00 0.00 C ATOM 753 CZ TYR A 47 -9.804 2.654 0.910 1.00 0.00 C ATOM 754 OH TYR A 47 -9.012 1.947 0.033 1.00 0.00 O ATOM 0 H TYR A 47 -13.293 2.874 5.077 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.814 4.580 5.216 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -13.331 4.647 3.487 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -12.145 5.937 3.515 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.557 4.795 3.536 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -13.079 3.216 1.648 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.137 3.526 1.953 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.652 1.941 0.069 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.068 2.120 0.233 1.00 0.00 H new ATOM 764 N PRO A 48 -12.083 6.611 6.252 1.00 0.00 N ATOM 765 CA PRO A 48 -10.920 7.122 5.489 1.00 0.00 C ATOM 766 C PRO A 48 -9.636 6.365 5.844 1.00 0.00 C ATOM 767 O PRO A 48 -9.477 5.858 6.937 1.00 0.00 O ATOM 768 CB PRO A 48 -10.791 8.591 5.914 1.00 0.00 C ATOM 769 CG PRO A 48 -11.857 8.864 7.004 1.00 0.00 C ATOM 770 CD PRO A 48 -12.667 7.574 7.201 1.00 0.00 C ATOM 0 HA PRO A 48 -11.064 6.998 4.416 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.791 8.791 6.299 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.941 9.251 5.059 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.381 9.163 7.938 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.510 9.683 6.703 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.592 7.213 8.227 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.725 7.737 6.997 1.00 0.00 H new ATOM 778 N LEU A 49 -8.716 6.299 4.919 1.00 0.00 N ATOM 779 CA LEU A 49 -7.430 5.593 5.176 1.00 0.00 C ATOM 780 C LEU A 49 -6.275 6.551 4.904 1.00 0.00 C ATOM 781 O LEU A 49 -6.378 7.455 4.103 1.00 0.00 O ATOM 782 CB LEU A 49 -7.296 4.382 4.236 1.00 0.00 C ATOM 783 CG LEU A 49 -5.811 3.998 4.047 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.245 3.423 5.351 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.688 2.951 2.942 1.00 0.00 C ATOM 0 H LEU A 49 -8.803 6.708 3.989 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.410 5.254 6.212 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.846 3.535 4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.742 4.615 3.269 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.249 4.891 3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.198 3.156 5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.323 4.169 6.142 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.811 2.535 5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.640 2.682 2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.259 2.064 3.216 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.077 3.359 2.009 1.00 0.00 H new ATOM 797 N VAL A 50 -5.163 6.327 5.530 1.00 0.00 N ATOM 798 CA VAL A 50 -3.984 7.183 5.263 1.00 0.00 C ATOM 799 C VAL A 50 -2.885 6.269 4.714 1.00 0.00 C ATOM 800 O VAL A 50 -2.696 5.173 5.187 1.00 0.00 O ATOM 801 CB VAL A 50 -3.533 7.879 6.569 1.00 0.00 C ATOM 802 CG1 VAL A 50 -2.085 7.509 6.927 1.00 0.00 C ATOM 803 CG2 VAL A 50 -3.623 9.394 6.385 1.00 0.00 C ATOM 0 H VAL A 50 -5.018 5.587 6.217 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.215 7.968 4.542 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.186 7.548 7.376 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.798 8.014 7.849 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.008 6.430 7.065 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.420 7.820 6.121 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.307 9.891 7.302 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.975 9.700 5.564 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.652 9.672 6.158 1.00 0.00 H new ATOM 813 N LEU A 51 -2.145 6.701 3.742 1.00 0.00 N ATOM 814 CA LEU A 51 -1.058 5.832 3.231 1.00 0.00 C ATOM 815 C LEU A 51 0.247 6.601 3.347 1.00 0.00 C ATOM 816 O LEU A 51 0.731 7.189 2.400 1.00 0.00 O ATOM 817 CB LEU A 51 -1.301 5.420 1.776 1.00 0.00 C ATOM 818 CG LEU A 51 -0.144 4.525 1.325 1.00 0.00 C ATOM 819 CD1 LEU A 51 -0.194 3.210 2.099 1.00 0.00 C ATOM 820 CD2 LEU A 51 -0.261 4.223 -0.166 1.00 0.00 C ATOM 0 H LEU A 51 -2.242 7.607 3.283 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.021 4.915 3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.248 4.888 1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.368 6.302 1.139 1.00 0.00 H new ATOM 0 HG LEU A 51 0.797 5.041 1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.628 2.569 1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.105 3.412 3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.142 2.708 1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.568 3.586 -0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.204 3.712 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.231 5.156 -0.730 1.00 0.00 H new ATOM 832 N GLU A 52 0.813 6.608 4.519 1.00 0.00 N ATOM 833 CA GLU A 52 2.082 7.342 4.729 1.00 0.00 C ATOM 834 C GLU A 52 3.224 6.504 4.168 1.00 0.00 C ATOM 835 O GLU A 52 3.912 5.800 4.882 1.00 0.00 O ATOM 836 CB GLU A 52 2.282 7.575 6.228 1.00 0.00 C ATOM 837 CG GLU A 52 3.702 8.082 6.484 1.00 0.00 C ATOM 838 CD GLU A 52 3.695 9.037 7.679 1.00 0.00 C ATOM 839 OE1 GLU A 52 2.694 9.707 7.871 1.00 0.00 O ATOM 840 OE2 GLU A 52 4.691 9.081 8.383 1.00 0.00 O ATOM 0 H GLU A 52 0.446 6.133 5.344 1.00 0.00 H new ATOM 0 HA GLU A 52 2.057 8.307 4.222 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.555 8.300 6.594 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.112 6.648 6.776 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.369 7.243 6.680 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.082 8.592 5.599 1.00 0.00 H new ATOM 847 N TRP A 53 3.418 6.571 2.882 1.00 0.00 N ATOM 848 CA TRP A 53 4.502 5.780 2.252 1.00 0.00 C ATOM 849 C TRP A 53 5.856 6.348 2.681 1.00 0.00 C ATOM 850 O TRP A 53 6.278 7.389 2.219 1.00 0.00 O ATOM 851 CB TRP A 53 4.370 5.855 0.731 1.00 0.00 C ATOM 852 CG TRP A 53 4.941 4.613 0.135 1.00 0.00 C ATOM 853 CD1 TRP A 53 6.243 4.256 0.199 1.00 0.00 C ATOM 854 CD2 TRP A 53 4.260 3.556 -0.603 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.408 3.050 -0.452 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.217 2.578 -0.964 1.00 0.00 C ATOM 857 CE3 TRP A 53 2.920 3.349 -0.994 1.00 0.00 C ATOM 858 CZ2 TRP A 53 4.864 1.440 -1.682 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.563 2.198 -1.721 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.535 1.249 -2.063 1.00 0.00 C ATOM 0 H TRP A 53 2.869 7.143 2.240 1.00 0.00 H new ATOM 0 HA TRP A 53 4.428 4.739 2.568 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.323 5.962 0.448 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.894 6.731 0.350 1.00 0.00 H new ATOM 0 HD1 TRP A 53 7.026 4.822 0.681 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.302 2.567 -0.543 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.165 4.077 -0.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.614 0.708 -1.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.535 2.046 -2.016 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.256 0.368 -2.622 1.00 0.00 H new ATOM 871 N ARG A 54 6.537 5.674 3.566 1.00 0.00 N ATOM 872 CA ARG A 54 7.861 6.177 4.028 1.00 0.00 C ATOM 873 C ARG A 54 8.959 5.629 3.117 1.00 0.00 C ATOM 874 O ARG A 54 8.980 4.460 2.788 1.00 0.00 O ATOM 875 CB ARG A 54 8.110 5.708 5.463 1.00 0.00 C ATOM 876 CG ARG A 54 7.772 6.838 6.437 1.00 0.00 C ATOM 877 CD ARG A 54 8.656 6.722 7.681 1.00 0.00 C ATOM 878 NE ARG A 54 8.702 8.035 8.389 1.00 0.00 N ATOM 879 CZ ARG A 54 8.711 9.148 7.707 1.00 0.00 C ATOM 880 NH1 ARG A 54 9.623 9.346 6.794 1.00 0.00 N ATOM 881 NH2 ARG A 54 7.810 10.063 7.938 1.00 0.00 N ATOM 0 H ARG A 54 6.234 4.797 3.989 1.00 0.00 H new ATOM 0 HA ARG A 54 7.869 7.266 3.994 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.500 4.831 5.681 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.151 5.410 5.583 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.926 7.804 5.957 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.720 6.787 6.719 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.265 5.952 8.347 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.663 6.416 7.396 1.00 0.00 H new ATOM 0 HE ARG A 54 8.726 8.063 9.408 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.328 8.631 6.614 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.630 10.215 6.261 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.098 9.909 8.652 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.818 10.932 7.405 1.00 0.00 H new ATOM 895 N GLN A 55 9.870 6.465 2.703 1.00 0.00 N ATOM 896 CA GLN A 55 10.963 5.990 1.810 1.00 0.00 C ATOM 897 C GLN A 55 10.351 5.298 0.590 1.00 0.00 C ATOM 898 O GLN A 55 10.376 4.089 0.473 1.00 0.00 O ATOM 899 CB GLN A 55 11.847 5.000 2.571 1.00 0.00 C ATOM 900 CG GLN A 55 13.210 5.639 2.845 1.00 0.00 C ATOM 901 CD GLN A 55 13.081 6.645 3.990 1.00 0.00 C ATOM 902 OE1 GLN A 55 12.235 6.499 4.851 1.00 0.00 O ATOM 903 NE2 GLN A 55 13.890 7.668 4.039 1.00 0.00 N ATOM 0 H GLN A 55 9.905 7.455 2.944 1.00 0.00 H new ATOM 0 HA GLN A 55 11.567 6.837 1.484 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.370 4.718 3.510 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.972 4.086 1.990 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.939 4.870 3.102 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.577 6.138 1.948 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.600 7.792 3.317 1.00 0.00 H new ATOM 0 HE22 GLN A 55 13.812 8.344 4.799 1.00 0.00 H new ATOM 912 N PHE A 56 9.799 6.056 -0.318 1.00 0.00 N ATOM 913 CA PHE A 56 9.183 5.441 -1.528 1.00 0.00 C ATOM 914 C PHE A 56 10.284 4.950 -2.470 1.00 0.00 C ATOM 915 O PHE A 56 10.367 3.780 -2.784 1.00 0.00 O ATOM 916 CB PHE A 56 8.324 6.479 -2.248 1.00 0.00 C ATOM 917 CG PHE A 56 7.494 5.794 -3.307 1.00 0.00 C ATOM 918 CD1 PHE A 56 6.270 5.205 -2.968 1.00 0.00 C ATOM 919 CD2 PHE A 56 7.951 5.747 -4.630 1.00 0.00 C ATOM 920 CE1 PHE A 56 5.503 4.569 -3.952 1.00 0.00 C ATOM 921 CE2 PHE A 56 7.184 5.111 -5.613 1.00 0.00 C ATOM 922 CZ PHE A 56 5.960 4.522 -5.275 1.00 0.00 C ATOM 0 H PHE A 56 9.748 7.074 -0.274 1.00 0.00 H new ATOM 0 HA PHE A 56 8.560 4.599 -1.227 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.676 6.989 -1.535 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.958 7.240 -2.703 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.917 5.241 -1.948 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.895 6.201 -4.892 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.559 4.115 -3.691 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.537 5.075 -6.633 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.368 4.032 -6.034 1.00 0.00 H new ATOM 932 N GLU A 57 11.131 5.833 -2.924 1.00 0.00 N ATOM 933 CA GLU A 57 12.224 5.404 -3.841 1.00 0.00 C ATOM 934 C GLU A 57 12.929 4.196 -3.233 1.00 0.00 C ATOM 935 O GLU A 57 13.240 3.239 -3.912 1.00 0.00 O ATOM 936 CB GLU A 57 13.230 6.537 -4.012 1.00 0.00 C ATOM 937 CG GLU A 57 13.156 7.080 -5.439 1.00 0.00 C ATOM 938 CD GLU A 57 14.571 7.246 -5.996 1.00 0.00 C ATOM 939 OE1 GLU A 57 15.480 7.431 -5.204 1.00 0.00 O ATOM 940 OE2 GLU A 57 14.722 7.185 -7.205 1.00 0.00 O ATOM 0 H GLU A 57 11.114 6.828 -2.701 1.00 0.00 H new ATOM 0 HA GLU A 57 11.805 5.146 -4.814 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.020 7.334 -3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.237 6.177 -3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.583 6.400 -6.069 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.635 8.038 -5.448 1.00 0.00 H new ATOM 947 N GLN A 58 13.180 4.232 -1.953 1.00 0.00 N ATOM 948 CA GLN A 58 13.851 3.085 -1.300 1.00 0.00 C ATOM 949 C GLN A 58 12.910 1.885 -1.361 1.00 0.00 C ATOM 950 O GLN A 58 13.327 0.758 -1.544 1.00 0.00 O ATOM 951 CB GLN A 58 14.155 3.430 0.159 1.00 0.00 C ATOM 952 CG GLN A 58 15.189 4.555 0.212 1.00 0.00 C ATOM 953 CD GLN A 58 16.463 4.046 0.889 1.00 0.00 C ATOM 954 OE1 GLN A 58 16.406 3.439 1.940 1.00 0.00 O ATOM 955 NE2 GLN A 58 17.620 4.270 0.328 1.00 0.00 N ATOM 0 H GLN A 58 12.947 5.009 -1.335 1.00 0.00 H new ATOM 0 HA GLN A 58 14.787 2.855 -1.808 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.242 3.737 0.669 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.532 2.550 0.681 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.415 4.904 -0.796 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.788 5.406 0.762 1.00 0.00 H new ATOM 0 HE21 GLN A 58 17.669 4.779 -0.554 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.475 3.936 0.772 1.00 0.00 H new ATOM 964 N SER A 59 11.636 2.129 -1.219 1.00 0.00 N ATOM 965 CA SER A 59 10.648 1.020 -1.279 1.00 0.00 C ATOM 966 C SER A 59 10.347 0.692 -2.743 1.00 0.00 C ATOM 967 O SER A 59 9.540 -0.165 -3.042 1.00 0.00 O ATOM 968 CB SER A 59 9.358 1.448 -0.578 1.00 0.00 C ATOM 969 OG SER A 59 9.442 1.120 0.802 1.00 0.00 O ATOM 0 H SER A 59 11.237 3.055 -1.063 1.00 0.00 H new ATOM 0 HA SER A 59 11.055 0.140 -0.782 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.203 2.520 -0.700 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.502 0.948 -1.031 1.00 0.00 H new ATOM 0 HG SER A 59 8.795 1.657 1.306 1.00 0.00 H new ATOM 975 N LYS A 60 10.992 1.363 -3.660 1.00 0.00 N ATOM 976 CA LYS A 60 10.739 1.080 -5.102 1.00 0.00 C ATOM 977 C LYS A 60 11.889 0.240 -5.674 1.00 0.00 C ATOM 978 O LYS A 60 11.708 -0.527 -6.598 1.00 0.00 O ATOM 979 CB LYS A 60 10.640 2.405 -5.869 1.00 0.00 C ATOM 980 CG LYS A 60 10.793 2.148 -7.372 1.00 0.00 C ATOM 981 CD LYS A 60 9.808 3.027 -8.147 1.00 0.00 C ATOM 982 CE LYS A 60 10.481 3.547 -9.418 1.00 0.00 C ATOM 983 NZ LYS A 60 10.290 2.563 -10.521 1.00 0.00 N ATOM 0 H LYS A 60 11.681 2.092 -3.473 1.00 0.00 H new ATOM 0 HA LYS A 60 9.805 0.527 -5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.680 2.881 -5.668 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.414 3.092 -5.528 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.814 2.365 -7.686 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.608 1.097 -7.592 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.916 2.454 -8.403 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.483 3.862 -7.527 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.056 4.511 -9.699 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.544 3.707 -9.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.748 2.917 -11.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.715 1.653 -10.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.273 2.432 -10.697 1.00 0.00 H new ATOM 1083 N ALA A 67 6.621 -0.856 -5.343 1.00 0.00 N ATOM 1084 CA ALA A 67 5.758 0.197 -4.746 1.00 0.00 C ATOM 1085 C ALA A 67 4.985 0.964 -5.822 1.00 0.00 C ATOM 1086 O ALA A 67 3.919 1.488 -5.568 1.00 0.00 O ATOM 1087 CB ALA A 67 6.636 1.173 -3.965 1.00 0.00 C ATOM 0 HA ALA A 67 5.035 -0.283 -4.086 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.012 1.950 -3.523 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.162 0.637 -3.175 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.361 1.630 -4.639 1.00 0.00 H new ATOM 1093 N GLU A 68 5.501 1.049 -7.013 1.00 0.00 N ATOM 1094 CA GLU A 68 4.784 1.790 -8.072 1.00 0.00 C ATOM 1095 C GLU A 68 3.420 1.131 -8.329 1.00 0.00 C ATOM 1096 O GLU A 68 2.513 1.741 -8.859 1.00 0.00 O ATOM 1097 CB GLU A 68 5.671 1.807 -9.334 1.00 0.00 C ATOM 1098 CG GLU A 68 4.999 1.069 -10.492 1.00 0.00 C ATOM 1099 CD GLU A 68 5.751 1.358 -11.792 1.00 0.00 C ATOM 1100 OE1 GLU A 68 6.517 2.307 -11.812 1.00 0.00 O ATOM 1101 OE2 GLU A 68 5.547 0.625 -12.746 1.00 0.00 O ATOM 0 H GLU A 68 6.390 0.635 -7.295 1.00 0.00 H new ATOM 0 HA GLU A 68 4.591 2.820 -7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.874 2.838 -9.625 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.632 1.343 -9.112 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.990 -0.003 -10.296 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.960 1.385 -10.583 1.00 0.00 H new ATOM 1108 N SER A 69 3.277 -0.113 -7.964 1.00 0.00 N ATOM 1109 CA SER A 69 1.987 -0.819 -8.191 1.00 0.00 C ATOM 1110 C SER A 69 0.977 -0.480 -7.082 1.00 0.00 C ATOM 1111 O SER A 69 -0.044 0.142 -7.320 1.00 0.00 O ATOM 1112 CB SER A 69 2.253 -2.324 -8.203 1.00 0.00 C ATOM 1113 OG SER A 69 3.215 -2.621 -9.207 1.00 0.00 O ATOM 0 H SER A 69 4.003 -0.673 -7.516 1.00 0.00 H new ATOM 0 HA SER A 69 1.564 -0.500 -9.144 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.615 -2.649 -7.228 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.328 -2.867 -8.397 1.00 0.00 H new ATOM 0 HG SER A 69 3.390 -3.585 -9.217 1.00 0.00 H new ATOM 1119 N VAL A 70 1.251 -0.892 -5.871 1.00 0.00 N ATOM 1120 CA VAL A 70 0.308 -0.613 -4.753 1.00 0.00 C ATOM 1121 C VAL A 70 0.008 0.877 -4.703 1.00 0.00 C ATOM 1122 O VAL A 70 -1.091 1.286 -4.394 1.00 0.00 O ATOM 1123 CB VAL A 70 0.939 -1.051 -3.433 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.097 -0.539 -2.263 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.001 -2.576 -3.384 1.00 0.00 C ATOM 0 H VAL A 70 2.090 -1.411 -5.610 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.618 -1.165 -4.913 1.00 0.00 H new ATOM 0 HB VAL A 70 1.946 -0.640 -3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.551 -0.854 -1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.051 0.549 -2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.911 -0.947 -2.334 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.451 -2.892 -2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.007 -2.984 -3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.603 -2.943 -4.215 1.00 0.00 H new ATOM 1135 N LEU A 71 0.972 1.692 -5.007 1.00 0.00 N ATOM 1136 CA LEU A 71 0.729 3.159 -4.982 1.00 0.00 C ATOM 1137 C LEU A 71 -0.286 3.503 -6.064 1.00 0.00 C ATOM 1138 O LEU A 71 -1.202 4.262 -5.849 1.00 0.00 O ATOM 1139 CB LEU A 71 2.025 3.897 -5.273 1.00 0.00 C ATOM 1140 CG LEU A 71 1.737 5.393 -5.382 1.00 0.00 C ATOM 1141 CD1 LEU A 71 1.488 5.970 -3.987 1.00 0.00 C ATOM 1142 CD2 LEU A 71 2.937 6.099 -6.019 1.00 0.00 C ATOM 0 H LEU A 71 1.916 1.409 -5.271 1.00 0.00 H new ATOM 0 HA LEU A 71 0.355 3.452 -4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.750 3.711 -4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.466 3.531 -6.200 1.00 0.00 H new ATOM 0 HG LEU A 71 0.853 5.547 -6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.283 7.038 -4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.633 5.469 -3.533 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.371 5.815 -3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.732 7.167 -6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.821 5.944 -5.400 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.114 5.690 -7.014 1.00 0.00 H new ATOM 1154 N GLN A 72 -0.126 2.942 -7.229 1.00 0.00 N ATOM 1155 CA GLN A 72 -1.082 3.222 -8.334 1.00 0.00 C ATOM 1156 C GLN A 72 -2.479 2.807 -7.887 1.00 0.00 C ATOM 1157 O GLN A 72 -3.471 3.404 -8.250 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.636 2.425 -9.583 1.00 0.00 C ATOM 1159 CG GLN A 72 -1.707 1.421 -10.041 1.00 0.00 C ATOM 1160 CD GLN A 72 -2.812 2.152 -10.809 1.00 0.00 C ATOM 1161 OE1 GLN A 72 -3.637 1.527 -11.445 1.00 0.00 O ATOM 1162 NE2 GLN A 72 -2.868 3.458 -10.779 1.00 0.00 N ATOM 0 H GLN A 72 0.630 2.298 -7.464 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.098 4.283 -8.583 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.418 3.118 -10.396 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.289 1.892 -9.361 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.255 0.658 -10.675 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.130 0.908 -9.177 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.177 3.986 -10.246 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.603 3.949 -11.289 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.550 1.770 -7.118 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.856 1.274 -6.645 1.00 0.00 C ATOM 1173 C VAL A 73 -4.354 2.138 -5.489 1.00 0.00 C ATOM 1174 O VAL A 73 -5.537 2.260 -5.260 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.667 -0.160 -6.182 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.879 -0.624 -5.375 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -3.457 -1.044 -7.414 1.00 0.00 C ATOM 0 H VAL A 73 -1.744 1.236 -6.792 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.594 1.319 -7.446 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.795 -0.231 -5.532 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.728 -1.654 -5.051 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.002 0.017 -4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.773 -0.567 -5.996 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.319 -2.079 -7.100 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.329 -0.975 -8.064 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.573 -0.709 -7.956 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.467 2.736 -4.754 1.00 0.00 N ATOM 1188 CA PHE A 74 -3.918 3.586 -3.618 1.00 0.00 C ATOM 1189 C PHE A 74 -4.427 4.925 -4.160 1.00 0.00 C ATOM 1190 O PHE A 74 -5.387 5.486 -3.666 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.759 3.804 -2.645 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.874 2.801 -1.524 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -3.989 2.827 -0.681 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -1.875 1.839 -1.334 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -4.107 1.894 0.353 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -1.991 0.906 -0.298 1.00 0.00 C ATOM 1197 CZ PHE A 74 -3.108 0.933 0.546 1.00 0.00 C ATOM 0 H PHE A 74 -2.457 2.677 -4.886 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.728 3.090 -3.084 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.806 3.687 -3.160 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.784 4.819 -2.248 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.760 3.569 -0.829 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.015 1.817 -1.987 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.969 1.915 1.003 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.219 0.165 -0.149 1.00 0.00 H new ATOM 0 HZ PHE A 74 -3.199 0.213 1.346 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.809 5.428 -5.193 1.00 0.00 N ATOM 1208 CA ARG A 75 -4.263 6.706 -5.787 1.00 0.00 C ATOM 1209 C ARG A 75 -5.509 6.426 -6.613 1.00 0.00 C ATOM 1210 O ARG A 75 -6.485 7.139 -6.555 1.00 0.00 O ATOM 1211 CB ARG A 75 -3.178 7.257 -6.701 1.00 0.00 C ATOM 1212 CG ARG A 75 -1.922 7.569 -5.886 1.00 0.00 C ATOM 1213 CD ARG A 75 -1.543 9.039 -6.075 1.00 0.00 C ATOM 1214 NE ARG A 75 -1.449 9.351 -7.531 1.00 0.00 N ATOM 1215 CZ ARG A 75 -0.970 8.465 -8.362 1.00 0.00 C ATOM 1216 NH1 ARG A 75 0.158 7.865 -8.097 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -1.618 8.182 -9.459 1.00 0.00 N ATOM 0 H ARG A 75 -3.003 5.001 -5.651 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.475 7.431 -5.001 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.945 6.533 -7.482 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.533 8.159 -7.199 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.099 7.361 -4.831 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.101 6.927 -6.204 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.288 9.680 -5.603 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.590 9.245 -5.587 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.760 10.258 -7.878 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.665 8.088 -7.241 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.532 7.173 -8.746 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.499 8.653 -9.667 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.244 7.490 -10.108 1.00 0.00 H new ATOM 1231 N GLU A 76 -5.468 5.369 -7.373 1.00 0.00 N ATOM 1232 CA GLU A 76 -6.634 4.979 -8.209 1.00 0.00 C ATOM 1233 C GLU A 76 -7.829 4.772 -7.286 1.00 0.00 C ATOM 1234 O GLU A 76 -8.901 5.296 -7.506 1.00 0.00 O ATOM 1235 CB GLU A 76 -6.309 3.662 -8.898 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.674 3.914 -10.264 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.756 4.324 -11.265 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -7.911 4.366 -10.875 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -6.411 4.590 -12.405 1.00 0.00 O ATOM 0 H GLU A 76 -4.662 4.749 -7.451 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.856 5.746 -8.951 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.630 3.078 -8.277 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.218 3.073 -9.016 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.920 4.697 -10.187 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.165 3.015 -10.611 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.635 4.015 -6.239 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.731 3.779 -5.276 1.00 0.00 C ATOM 1248 C ALA A 77 -9.115 5.133 -4.699 1.00 0.00 C ATOM 1249 O ALA A 77 -10.276 5.436 -4.506 1.00 0.00 O ATOM 1250 CB ALA A 77 -8.259 2.844 -4.159 1.00 0.00 C ATOM 0 H ALA A 77 -6.755 3.550 -6.015 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.584 3.309 -5.765 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.075 2.677 -3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.950 1.891 -4.589 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.416 3.297 -3.637 1.00 0.00 H new ATOM 1256 N LYS A 78 -8.140 5.972 -4.463 1.00 0.00 N ATOM 1257 CA LYS A 78 -8.452 7.329 -3.950 1.00 0.00 C ATOM 1258 C LYS A 78 -9.381 7.979 -4.963 1.00 0.00 C ATOM 1259 O LYS A 78 -10.246 8.770 -4.641 1.00 0.00 O ATOM 1260 CB LYS A 78 -7.164 8.140 -3.878 1.00 0.00 C ATOM 1261 CG LYS A 78 -7.172 9.020 -2.626 1.00 0.00 C ATOM 1262 CD LYS A 78 -7.154 10.493 -3.042 1.00 0.00 C ATOM 1263 CE LYS A 78 -6.792 11.362 -1.837 1.00 0.00 C ATOM 1264 NZ LYS A 78 -7.826 12.420 -1.659 1.00 0.00 N ATOM 0 H LYS A 78 -7.149 5.774 -4.604 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.908 7.283 -2.961 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.304 7.471 -3.858 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.064 8.760 -4.769 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.058 8.811 -2.026 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.305 8.795 -2.004 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.432 10.646 -3.844 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.130 10.783 -3.432 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.726 10.748 -0.939 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.812 11.817 -1.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.580 13.011 -0.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.868 13.012 -2.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.753 11.976 -1.500 1.00 0.00 H new ATOM 1278 N ALA A 79 -9.184 7.625 -6.198 1.00 0.00 N ATOM 1279 CA ALA A 79 -10.003 8.166 -7.300 1.00 0.00 C ATOM 1280 C ALA A 79 -11.381 7.513 -7.265 1.00 0.00 C ATOM 1281 O ALA A 79 -12.376 8.093 -7.654 1.00 0.00 O ATOM 1282 CB ALA A 79 -9.310 7.810 -8.610 1.00 0.00 C ATOM 0 H ALA A 79 -8.466 6.963 -6.493 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.115 9.246 -7.206 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.892 8.197 -9.446 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.314 8.252 -8.626 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.228 6.726 -8.695 1.00 0.00 H new ATOM 1288 N GLU A 80 -11.430 6.296 -6.811 1.00 0.00 N ATOM 1289 CA GLU A 80 -12.709 5.548 -6.744 1.00 0.00 C ATOM 1290 C GLU A 80 -13.545 5.984 -5.532 1.00 0.00 C ATOM 1291 O GLU A 80 -14.297 5.203 -4.983 1.00 0.00 O ATOM 1292 CB GLU A 80 -12.386 4.059 -6.624 1.00 0.00 C ATOM 1293 CG GLU A 80 -12.093 3.493 -8.013 1.00 0.00 C ATOM 1294 CD GLU A 80 -13.319 2.735 -8.525 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -13.477 1.584 -8.154 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -14.079 3.319 -9.281 1.00 0.00 O ATOM 0 H GLU A 80 -10.618 5.778 -6.476 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.288 5.752 -7.645 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.526 3.913 -5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.224 3.529 -6.172 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.839 4.300 -8.700 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.232 2.826 -7.971 1.00 0.00 H new ATOM 1303 N GLY A 81 -13.433 7.214 -5.105 1.00 0.00 N ATOM 1304 CA GLY A 81 -14.232 7.667 -3.931 1.00 0.00 C ATOM 1305 C GLY A 81 -13.494 7.300 -2.643 1.00 0.00 C ATOM 1306 O GLY A 81 -13.383 8.095 -1.731 1.00 0.00 O ATOM 0 H GLY A 81 -12.825 7.922 -5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.390 8.744 -3.978 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -15.217 7.200 -3.945 1.00 0.00 H new ATOM 1310 N CYS A 82 -12.985 6.101 -2.563 1.00 0.00 N ATOM 1311 CA CYS A 82 -12.251 5.681 -1.344 1.00 0.00 C ATOM 1312 C CYS A 82 -11.292 6.793 -0.921 1.00 0.00 C ATOM 1313 O CYS A 82 -10.606 7.377 -1.735 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.461 4.413 -1.659 1.00 0.00 C ATOM 1315 SG CYS A 82 -12.609 3.048 -1.967 1.00 0.00 S ATOM 0 H CYS A 82 -13.048 5.394 -3.295 1.00 0.00 H new ATOM 0 HA CYS A 82 -12.953 5.486 -0.533 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.828 4.574 -2.531 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.801 4.167 -0.827 1.00 0.00 H new ATOM 0 HG CYS A 82 -12.835 2.412 -0.856 1.00 0.00 H new ATOM 1321 N ASP A 83 -11.239 7.093 0.346 1.00 0.00 N ATOM 1322 CA ASP A 83 -10.323 8.169 0.815 1.00 0.00 C ATOM 1323 C ASP A 83 -8.985 7.555 1.226 1.00 0.00 C ATOM 1324 O ASP A 83 -8.930 6.634 2.014 1.00 0.00 O ATOM 1325 CB ASP A 83 -10.947 8.883 2.015 1.00 0.00 C ATOM 1326 CG ASP A 83 -10.194 10.188 2.281 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -9.570 10.688 1.359 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -10.253 10.666 3.402 1.00 0.00 O ATOM 0 H ASP A 83 -11.789 6.641 1.076 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.162 8.886 0.010 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.999 9.091 1.821 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.906 8.241 2.895 1.00 0.00 H new ATOM 1333 N ILE A 84 -7.904 8.062 0.702 1.00 0.00 N ATOM 1334 CA ILE A 84 -6.569 7.513 1.070 1.00 0.00 C ATOM 1335 C ILE A 84 -5.526 8.629 0.975 1.00 0.00 C ATOM 1336 O ILE A 84 -5.042 8.952 -0.091 1.00 0.00 O ATOM 1337 CB ILE A 84 -6.200 6.366 0.124 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -6.994 5.118 0.512 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -4.705 6.061 0.239 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -8.312 5.090 -0.258 1.00 0.00 C ATOM 0 H ILE A 84 -7.887 8.833 0.035 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.598 7.129 2.090 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.435 6.655 -0.901 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.413 4.222 0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.188 5.117 1.585 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.447 5.245 -0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.131 6.948 -0.029 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.470 5.773 1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.877 4.200 0.020 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.894 5.979 -0.016 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.108 5.071 -1.328 1.00 0.00 H new ATOM 1352 N THR A 85 -5.179 9.222 2.085 1.00 0.00 N ATOM 1353 CA THR A 85 -4.172 10.319 2.064 1.00 0.00 C ATOM 1354 C THR A 85 -2.829 9.773 1.576 1.00 0.00 C ATOM 1355 O THR A 85 -1.995 9.361 2.358 1.00 0.00 O ATOM 1356 CB THR A 85 -4.008 10.886 3.476 1.00 0.00 C ATOM 1357 OG1 THR A 85 -5.290 11.096 4.051 1.00 0.00 O ATOM 1358 CG2 THR A 85 -3.252 12.214 3.411 1.00 0.00 C ATOM 0 H THR A 85 -5.551 8.993 3.007 1.00 0.00 H new ATOM 0 HA THR A 85 -4.509 11.107 1.391 1.00 0.00 H new ATOM 0 HB THR A 85 -3.445 10.181 4.088 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.187 11.458 4.956 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.136 12.616 4.417 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.269 12.052 2.970 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.812 12.922 2.800 1.00 0.00 H new ATOM 1366 N ILE A 86 -2.609 9.771 0.290 1.00 0.00 N ATOM 1367 CA ILE A 86 -1.316 9.256 -0.241 1.00 0.00 C ATOM 1368 C ILE A 86 -0.181 10.160 0.242 1.00 0.00 C ATOM 1369 O ILE A 86 0.181 11.119 -0.409 1.00 0.00 O ATOM 1370 CB ILE A 86 -1.350 9.257 -1.771 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -2.621 8.557 -2.259 1.00 0.00 C ATOM 1372 CG2 ILE A 86 -0.125 8.514 -2.308 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -2.583 7.084 -1.850 1.00 0.00 C ATOM 0 H ILE A 86 -3.267 10.103 -0.415 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.155 8.238 0.115 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.342 10.286 -2.131 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.501 9.040 -1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.702 8.642 -3.343 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.148 8.514 -3.398 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.782 9.012 -1.964 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.135 7.486 -1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.488 6.586 -2.198 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.711 6.605 -2.296 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.522 7.009 -0.764 1.00 0.00 H new ATOM 1385 N ILE A 87 0.382 9.866 1.382 1.00 0.00 N ATOM 1386 CA ILE A 87 1.489 10.714 1.904 1.00 0.00 C ATOM 1387 C ILE A 87 2.833 10.080 1.536 1.00 0.00 C ATOM 1388 O ILE A 87 3.291 9.154 2.175 1.00 0.00 O ATOM 1389 CB ILE A 87 1.365 10.831 3.426 1.00 0.00 C ATOM 1390 CG1 ILE A 87 0.230 11.799 3.769 1.00 0.00 C ATOM 1391 CG2 ILE A 87 2.675 11.360 4.015 1.00 0.00 C ATOM 1392 CD1 ILE A 87 -0.458 11.344 5.057 1.00 0.00 C ATOM 0 H ILE A 87 0.123 9.076 1.973 1.00 0.00 H new ATOM 0 HA ILE A 87 1.430 11.709 1.462 1.00 0.00 H new ATOM 0 HB ILE A 87 1.152 9.848 3.846 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.623 12.808 3.891 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.491 11.835 2.952 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.581 11.441 5.098 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.486 10.674 3.772 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.892 12.342 3.595 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.266 12.034 5.301 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.865 10.343 4.918 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.266 11.331 5.871 1.00 0.00 H new ATOM 1404 N LEU A 88 3.467 10.575 0.507 1.00 0.00 N ATOM 1405 CA LEU A 88 4.781 10.007 0.091 1.00 0.00 C ATOM 1406 C LEU A 88 5.909 10.789 0.768 1.00 0.00 C ATOM 1407 O LEU A 88 6.311 11.839 0.307 1.00 0.00 O ATOM 1408 CB LEU A 88 4.925 10.122 -1.428 1.00 0.00 C ATOM 1409 CG LEU A 88 4.593 8.777 -2.076 1.00 0.00 C ATOM 1410 CD1 LEU A 88 3.251 8.878 -2.803 1.00 0.00 C ATOM 1411 CD2 LEU A 88 5.689 8.413 -3.080 1.00 0.00 C ATOM 0 H LEU A 88 3.130 11.350 -0.064 1.00 0.00 H new ATOM 0 HA LEU A 88 4.836 8.959 0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.259 10.896 -1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.941 10.421 -1.686 1.00 0.00 H new ATOM 0 HG LEU A 88 4.532 8.008 -1.306 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.014 7.919 -3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.470 9.140 -2.090 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.311 9.647 -3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.454 7.455 -3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.748 9.183 -3.849 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.646 8.342 -2.564 1.00 0.00 H new ATOM 1423 N SER A 89 6.422 10.288 1.858 1.00 0.00 N ATOM 1424 CA SER A 89 7.523 11.007 2.560 1.00 0.00 C ATOM 1425 C SER A 89 8.872 10.491 2.057 1.00 0.00 C ATOM 1426 O SER A 89 9.570 9.860 2.833 1.00 0.00 O ATOM 1427 CB SER A 89 7.413 10.762 4.065 1.00 0.00 C ATOM 1428 OG SER A 89 6.734 9.535 4.294 1.00 0.00 O ATOM 1429 OXT SER A 89 9.184 10.735 0.903 1.00 0.00 O ATOM 0 H SER A 89 6.127 9.413 2.292 1.00 0.00 H new ATOM 0 HA SER A 89 7.445 12.075 2.359 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.406 10.730 4.513 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.875 11.582 4.540 1.00 0.00 H new ATOM 0 HG SER A 89 6.522 9.451 5.247 1.00 0.00 H new