USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 631 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 20 LYS NZ :NH3+ -122:sc= 0.845 (180deg=-0.739) USER MOD Set 1.2: A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 17 GLN : amide:sc= -5.99! C(o=-6!,f=-2.8!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 75:sc= 0.352 USER MOD Single : A 24 TYR OH : rot 99:sc= -0.222 USER MOD Single : A 26 LYS NZ :NH3+ 160:sc= -0.0791 (180deg=-0.529) USER MOD Single : A 27 HIS : no HD1:sc=-0.00105 X(o=-0.0011,f=-0.069) USER MOD Single : A 28 ASN : amide:sc= -5.79! C(o=-5.8!,f=-3.6!) USER MOD Single : A 33 ASN : amide:sc= -0.743 K(o=-0.74,f=-3.6!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.337 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -69:sc= 0.377 USER MOD Single : A 39 ASN : amide:sc= -1.65 X(o=-1.6,f=-1.7) USER MOD Single : A 43 ASN : amide:sc= -1.03 K(o=-1,f=-2.3!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.781 USER MOD Single : A 54 ASN : amide:sc= -0.129 K(o=-0.13,f=-0.91) USER MOD Single : A 55 ASN : amide:sc= -0.0232 X(o=-0.023,f=-0.19) USER MOD Single : A 57 LYS NZ :NH3+ 176:sc= -2.72! (180deg=-2.98!) USER MOD Single : A 58 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.11) USER MOD Single : A 60 SER OG : rot 64:sc= 0.513 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 140:sc= -0.62 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 152:sc= -0.283 (180deg=-1.44!) USER MOD Single : A 81 GLN : amide:sc= -0.261 K(o=-0.26,f=-1) USER MOD Single : A 85 LYS NZ :NH3+ -116:sc= 0.0321 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N PHE A 13 -8.755 12.171 -10.836 1.00 0.00 N ATOM 12 CA PHE A 13 -9.421 11.136 -9.982 1.00 0.00 C ATOM 13 C PHE A 13 -8.478 9.950 -9.770 1.00 0.00 C ATOM 14 O PHE A 13 -8.316 9.465 -8.666 1.00 0.00 O ATOM 15 CB PHE A 13 -10.687 10.643 -10.692 1.00 0.00 C ATOM 16 CG PHE A 13 -11.383 9.616 -9.829 1.00 0.00 C ATOM 17 CD1 PHE A 13 -12.031 10.016 -8.653 1.00 0.00 C ATOM 18 CD2 PHE A 13 -11.382 8.263 -10.200 1.00 0.00 C ATOM 19 CE1 PHE A 13 -12.677 9.067 -7.852 1.00 0.00 C ATOM 20 CE2 PHE A 13 -12.029 7.316 -9.398 1.00 0.00 C ATOM 21 CZ PHE A 13 -12.675 7.717 -8.223 1.00 0.00 C ATOM 0 HA PHE A 13 -9.675 11.574 -9.017 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -11.356 11.481 -10.889 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -10.429 10.207 -11.657 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -12.032 11.057 -8.364 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -10.882 7.952 -11.105 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -13.178 9.377 -6.947 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -12.030 6.275 -9.686 1.00 0.00 H new ATOM 0 HZ PHE A 13 -13.172 6.985 -7.603 1.00 0.00 H new ATOM 31 N PHE A 14 -7.865 9.478 -10.818 1.00 0.00 N ATOM 32 CA PHE A 14 -6.934 8.315 -10.689 1.00 0.00 C ATOM 33 C PHE A 14 -5.755 8.698 -9.794 1.00 0.00 C ATOM 34 O PHE A 14 -5.334 7.938 -8.940 1.00 0.00 O ATOM 35 CB PHE A 14 -6.412 7.926 -12.078 1.00 0.00 C ATOM 36 CG PHE A 14 -7.531 7.316 -12.891 1.00 0.00 C ATOM 37 CD1 PHE A 14 -7.790 5.942 -12.794 1.00 0.00 C ATOM 38 CD2 PHE A 14 -8.309 8.116 -13.735 1.00 0.00 C ATOM 39 CE1 PHE A 14 -8.826 5.370 -13.543 1.00 0.00 C ATOM 40 CE2 PHE A 14 -9.347 7.543 -14.484 1.00 0.00 C ATOM 41 CZ PHE A 14 -9.604 6.171 -14.388 1.00 0.00 C ATOM 0 H PHE A 14 -7.967 9.847 -11.764 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.466 7.472 -10.247 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.017 8.805 -12.588 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.590 7.216 -11.983 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.191 5.324 -12.142 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.110 9.175 -13.810 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.025 4.311 -13.469 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -9.948 8.161 -15.135 1.00 0.00 H new ATOM 0 HZ PHE A 14 -10.403 5.730 -14.966 1.00 0.00 H new ATOM 51 N ASN A 15 -5.221 9.869 -9.991 1.00 0.00 N ATOM 52 CA ASN A 15 -4.058 10.327 -9.167 1.00 0.00 C ATOM 53 C ASN A 15 -4.475 10.466 -7.701 1.00 0.00 C ATOM 54 O ASN A 15 -3.754 10.086 -6.799 1.00 0.00 O ATOM 55 CB ASN A 15 -3.597 11.692 -9.689 1.00 0.00 C ATOM 56 CG ASN A 15 -2.413 12.184 -8.857 1.00 0.00 C ATOM 57 OD1 ASN A 15 -1.626 11.397 -8.373 1.00 0.00 O ATOM 58 ND2 ASN A 15 -2.252 13.465 -8.665 1.00 0.00 N ATOM 0 H ASN A 15 -5.540 10.538 -10.692 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.251 9.598 -9.239 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.310 11.614 -10.738 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.416 12.409 -9.635 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.466 13.803 -8.109 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.912 14.128 -9.071 1.00 0.00 H new ATOM 65 N GLU A 16 -5.636 11.012 -7.461 1.00 0.00 N ATOM 66 CA GLU A 16 -6.116 11.193 -6.055 1.00 0.00 C ATOM 67 C GLU A 16 -6.375 9.832 -5.406 1.00 0.00 C ATOM 68 O GLU A 16 -6.116 9.636 -4.233 1.00 0.00 O ATOM 69 CB GLU A 16 -7.416 12.013 -6.062 1.00 0.00 C ATOM 70 CG GLU A 16 -7.102 13.474 -6.404 1.00 0.00 C ATOM 71 CD GLU A 16 -8.404 14.278 -6.518 1.00 0.00 C ATOM 72 OE1 GLU A 16 -9.459 13.698 -6.322 1.00 0.00 O ATOM 73 OE2 GLU A 16 -8.320 15.462 -6.801 1.00 0.00 O ATOM 0 H GLU A 16 -6.279 11.343 -8.181 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.351 11.718 -5.483 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.114 11.601 -6.791 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.900 11.953 -5.087 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.464 13.907 -5.634 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.550 13.526 -7.342 1.00 0.00 H new ATOM 80 N GLN A 17 -6.893 8.896 -6.149 1.00 0.00 N ATOM 81 CA GLN A 17 -7.188 7.549 -5.567 1.00 0.00 C ATOM 82 C GLN A 17 -5.883 6.890 -5.106 1.00 0.00 C ATOM 83 O GLN A 17 -5.814 6.293 -4.047 1.00 0.00 O ATOM 84 CB GLN A 17 -7.843 6.667 -6.643 1.00 0.00 C ATOM 85 CG GLN A 17 -8.552 5.485 -5.978 1.00 0.00 C ATOM 86 CD GLN A 17 -9.805 5.983 -5.250 1.00 0.00 C ATOM 87 OE1 GLN A 17 -10.707 6.518 -5.863 1.00 0.00 O ATOM 88 NE2 GLN A 17 -9.897 5.831 -3.959 1.00 0.00 N ATOM 0 H GLN A 17 -7.127 9.001 -7.136 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.860 7.661 -4.716 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.557 7.253 -7.222 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.087 6.305 -7.340 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.825 4.743 -6.728 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.880 4.994 -5.274 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.140 5.382 -3.443 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.726 6.161 -3.464 1.00 0.00 H new ATOM 97 N LYS A 18 -4.851 6.994 -5.898 1.00 0.00 N ATOM 98 CA LYS A 18 -3.543 6.376 -5.526 1.00 0.00 C ATOM 99 C LYS A 18 -3.008 7.045 -4.259 1.00 0.00 C ATOM 100 O LYS A 18 -2.460 6.400 -3.383 1.00 0.00 O ATOM 101 CB LYS A 18 -2.540 6.587 -6.661 1.00 0.00 C ATOM 102 CG LYS A 18 -2.983 5.797 -7.899 1.00 0.00 C ATOM 103 CD LYS A 18 -2.026 6.076 -9.071 1.00 0.00 C ATOM 104 CE LYS A 18 -0.763 5.223 -8.933 1.00 0.00 C ATOM 105 NZ LYS A 18 0.098 5.412 -10.130 1.00 0.00 N ATOM 0 H LYS A 18 -4.856 7.483 -6.793 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.683 5.309 -5.350 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.467 7.648 -6.902 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.548 6.263 -6.347 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.995 4.730 -7.675 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.000 6.077 -8.174 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.522 5.855 -10.016 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.760 7.133 -9.090 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.218 5.505 -8.032 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.031 4.172 -8.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.956 4.832 -10.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.423 5.122 -10.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.365 6.414 -10.211 1.00 0.00 H new ATOM 119 N GLU A 19 -3.153 8.338 -4.165 1.00 0.00 N ATOM 120 CA GLU A 19 -2.651 9.075 -2.964 1.00 0.00 C ATOM 121 C GLU A 19 -3.399 8.611 -1.712 1.00 0.00 C ATOM 122 O GLU A 19 -2.814 8.431 -0.661 1.00 0.00 O ATOM 123 CB GLU A 19 -2.895 10.576 -3.165 1.00 0.00 C ATOM 124 CG GLU A 19 -2.001 11.100 -4.290 1.00 0.00 C ATOM 125 CD GLU A 19 -0.538 11.081 -3.833 1.00 0.00 C ATOM 126 OE1 GLU A 19 -0.303 10.833 -2.662 1.00 0.00 O ATOM 127 OE2 GLU A 19 0.323 11.310 -4.667 1.00 0.00 O ATOM 0 H GLU A 19 -3.600 8.922 -4.872 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.586 8.877 -2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.943 10.754 -3.408 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.686 11.115 -2.241 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.122 10.485 -5.182 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.295 12.114 -4.560 1.00 0.00 H new ATOM 134 N LYS A 20 -4.686 8.423 -1.817 1.00 0.00 N ATOM 135 CA LYS A 20 -5.490 7.982 -0.631 1.00 0.00 C ATOM 136 C LYS A 20 -4.996 6.619 -0.147 1.00 0.00 C ATOM 137 O LYS A 20 -4.871 6.376 1.040 1.00 0.00 O ATOM 138 CB LYS A 20 -6.961 7.865 -1.038 1.00 0.00 C ATOM 139 CG LYS A 20 -7.542 9.259 -1.286 1.00 0.00 C ATOM 140 CD LYS A 20 -8.997 9.131 -1.741 1.00 0.00 C ATOM 141 CE LYS A 20 -9.568 10.522 -2.034 1.00 0.00 C ATOM 142 NZ LYS A 20 -9.708 11.282 -0.761 1.00 0.00 N ATOM 0 H LYS A 20 -5.222 8.555 -2.675 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.380 8.712 0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.052 7.258 -1.939 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.526 7.360 -0.255 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.486 9.856 -0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.957 9.779 -2.045 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.056 8.507 -2.633 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.588 8.639 -0.968 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.912 11.059 -2.720 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.537 10.433 -2.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.700 11.568 -0.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.417 10.681 0.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.105 12.128 -0.794 1.00 0.00 H new ATOM 156 N VAL A 21 -4.718 5.730 -1.054 1.00 0.00 N ATOM 157 CA VAL A 21 -4.228 4.372 -0.662 1.00 0.00 C ATOM 158 C VAL A 21 -2.860 4.504 0.014 1.00 0.00 C ATOM 159 O VAL A 21 -2.567 3.832 0.987 1.00 0.00 O ATOM 160 CB VAL A 21 -4.104 3.496 -1.910 1.00 0.00 C ATOM 161 CG1 VAL A 21 -3.496 2.145 -1.531 1.00 0.00 C ATOM 162 CG2 VAL A 21 -5.495 3.276 -2.511 1.00 0.00 C ATOM 0 H VAL A 21 -4.808 5.881 -2.059 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.933 3.913 0.031 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.461 3.990 -2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.409 1.523 -2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.508 2.299 -1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.138 1.649 -0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.412 2.652 -3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.133 2.781 -1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.931 4.238 -2.781 1.00 0.00 H new ATOM 172 N THR A 22 -2.021 5.353 -0.508 1.00 0.00 N ATOM 173 CA THR A 22 -0.658 5.540 0.081 1.00 0.00 C ATOM 174 C THR A 22 -0.795 6.001 1.532 1.00 0.00 C ATOM 175 O THR A 22 -0.103 5.530 2.414 1.00 0.00 O ATOM 176 CB THR A 22 0.097 6.607 -0.718 1.00 0.00 C ATOM 177 OG1 THR A 22 0.277 6.160 -2.055 1.00 0.00 O ATOM 178 CG2 THR A 22 1.464 6.856 -0.077 1.00 0.00 C ATOM 0 H THR A 22 -2.219 5.932 -1.324 1.00 0.00 H new ATOM 0 HA THR A 22 -0.111 4.598 0.044 1.00 0.00 H new ATOM 0 HB THR A 22 -0.478 7.533 -0.718 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.572 6.228 -2.540 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.000 7.615 -0.646 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.328 7.200 0.948 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.039 5.930 -0.076 1.00 0.00 H new ATOM 186 N LEU A 23 -1.686 6.917 1.782 1.00 0.00 N ATOM 187 CA LEU A 23 -1.891 7.420 3.178 1.00 0.00 C ATOM 188 C LEU A 23 -2.356 6.280 4.075 1.00 0.00 C ATOM 189 O LEU A 23 -1.930 6.157 5.209 1.00 0.00 O ATOM 190 CB LEU A 23 -2.968 8.532 3.161 1.00 0.00 C ATOM 191 CG LEU A 23 -2.320 9.913 3.013 1.00 0.00 C ATOM 192 CD1 LEU A 23 -1.634 10.039 1.654 1.00 0.00 C ATOM 193 CD2 LEU A 23 -3.395 10.993 3.144 1.00 0.00 C ATOM 0 H LEU A 23 -2.288 7.345 1.078 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.952 7.818 3.563 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.662 8.360 2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.550 8.495 4.082 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.572 10.037 3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.179 11.026 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.862 9.275 1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.370 9.907 0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.937 11.977 3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.145 10.857 2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.870 10.916 4.122 1.00 0.00 H new ATOM 205 N TYR A 24 -3.232 5.464 3.579 1.00 0.00 N ATOM 206 CA TYR A 24 -3.753 4.328 4.392 1.00 0.00 C ATOM 207 C TYR A 24 -2.593 3.413 4.787 1.00 0.00 C ATOM 208 O TYR A 24 -2.438 3.048 5.936 1.00 0.00 O ATOM 209 CB TYR A 24 -4.755 3.540 3.535 1.00 0.00 C ATOM 210 CG TYR A 24 -5.228 2.320 4.287 1.00 0.00 C ATOM 211 CD1 TYR A 24 -6.194 2.449 5.292 1.00 0.00 C ATOM 212 CD2 TYR A 24 -4.701 1.058 3.980 1.00 0.00 C ATOM 213 CE1 TYR A 24 -6.632 1.317 5.992 1.00 0.00 C ATOM 214 CE2 TYR A 24 -5.139 -0.073 4.680 1.00 0.00 C ATOM 215 CZ TYR A 24 -6.105 0.057 5.685 1.00 0.00 C ATOM 216 OH TYR A 24 -6.534 -1.056 6.378 1.00 0.00 O ATOM 0 H TYR A 24 -3.617 5.531 2.637 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.239 4.701 5.294 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.605 4.173 3.280 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.288 3.241 2.597 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.602 3.421 5.528 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.957 0.958 3.204 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.376 1.417 6.768 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.732 -1.045 4.445 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.205 -1.533 5.847 1.00 0.00 H new ATOM 226 N LEU A 25 -1.782 3.045 3.839 1.00 0.00 N ATOM 227 CA LEU A 25 -0.621 2.148 4.132 1.00 0.00 C ATOM 228 C LEU A 25 0.419 2.874 4.990 1.00 0.00 C ATOM 229 O LEU A 25 0.995 2.302 5.895 1.00 0.00 O ATOM 230 CB LEU A 25 0.030 1.724 2.811 1.00 0.00 C ATOM 231 CG LEU A 25 -0.930 0.820 2.023 1.00 0.00 C ATOM 232 CD1 LEU A 25 -0.365 0.585 0.617 1.00 0.00 C ATOM 233 CD2 LEU A 25 -1.103 -0.533 2.743 1.00 0.00 C ATOM 0 H LEU A 25 -1.870 3.327 2.863 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.980 1.275 4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.282 2.605 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.962 1.195 3.008 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.902 1.308 1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.044 -0.056 0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.259 1.540 0.103 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.610 0.104 0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.786 -1.164 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.135 -1.028 2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.510 -0.365 3.740 1.00 0.00 H new ATOM 245 N LYS A 26 0.678 4.116 4.699 1.00 0.00 N ATOM 246 CA LYS A 26 1.700 4.879 5.481 1.00 0.00 C ATOM 247 C LYS A 26 1.245 5.050 6.930 1.00 0.00 C ATOM 248 O LYS A 26 2.023 4.908 7.855 1.00 0.00 O ATOM 249 CB LYS A 26 1.904 6.261 4.851 1.00 0.00 C ATOM 250 CG LYS A 26 3.037 6.989 5.580 1.00 0.00 C ATOM 251 CD LYS A 26 3.301 8.344 4.916 1.00 0.00 C ATOM 252 CE LYS A 26 4.437 9.067 5.650 1.00 0.00 C ATOM 253 NZ LYS A 26 5.695 8.276 5.535 1.00 0.00 N ATOM 0 H LYS A 26 0.226 4.642 3.951 1.00 0.00 H new ATOM 0 HA LYS A 26 2.637 4.322 5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.144 6.159 3.793 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.984 6.841 4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.773 7.133 6.628 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.942 6.382 5.560 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.565 8.201 3.868 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.397 8.952 4.937 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.581 10.061 5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.176 9.202 6.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.511 8.893 5.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.682 7.501 6.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.770 7.881 4.576 1.00 0.00 H new ATOM 267 N HIS A 27 0.002 5.374 7.134 1.00 0.00 N ATOM 268 CA HIS A 27 -0.508 5.584 8.523 1.00 0.00 C ATOM 269 C HIS A 27 -0.814 4.241 9.189 1.00 0.00 C ATOM 270 O HIS A 27 -0.953 4.163 10.394 1.00 0.00 O ATOM 271 CB HIS A 27 -1.784 6.434 8.461 1.00 0.00 C ATOM 272 CG HIS A 27 -1.424 7.855 8.116 1.00 0.00 C ATOM 273 ND1 HIS A 27 -0.679 8.649 8.974 1.00 0.00 N ATOM 274 CD2 HIS A 27 -1.694 8.639 7.020 1.00 0.00 C ATOM 275 CE1 HIS A 27 -0.528 9.851 8.388 1.00 0.00 C ATOM 276 NE2 HIS A 27 -1.127 9.899 7.195 1.00 0.00 N ATOM 0 H HIS A 27 -0.691 5.504 6.397 1.00 0.00 H new ATOM 0 HA HIS A 27 0.253 6.096 9.112 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -2.468 6.029 7.715 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -2.303 6.401 9.419 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.260 8.326 6.155 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.012 10.676 8.829 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -1.162 10.689 6.551 1.00 0.00 H new ATOM 284 N ASN A 28 -0.912 3.186 8.426 1.00 0.00 N ATOM 285 CA ASN A 28 -1.197 1.835 9.023 1.00 0.00 C ATOM 286 C ASN A 28 0.093 1.018 9.035 1.00 0.00 C ATOM 287 O ASN A 28 0.170 -0.039 9.636 1.00 0.00 O ATOM 288 CB ASN A 28 -2.244 1.114 8.172 1.00 0.00 C ATOM 289 CG ASN A 28 -3.585 1.846 8.278 1.00 0.00 C ATOM 290 OD1 ASN A 28 -4.482 1.613 7.493 1.00 0.00 O ATOM 291 ND2 ASN A 28 -3.760 2.732 9.220 1.00 0.00 N ATOM 0 H ASN A 28 -0.808 3.195 7.411 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.573 1.951 10.039 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.919 1.077 7.132 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.353 0.083 8.508 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.649 3.227 9.296 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.008 2.929 9.880 1.00 0.00 H new ATOM 298 N ILE A 29 1.110 1.503 8.375 1.00 0.00 N ATOM 299 CA ILE A 29 2.411 0.768 8.335 1.00 0.00 C ATOM 300 C ILE A 29 3.557 1.790 8.348 1.00 0.00 C ATOM 301 O ILE A 29 4.039 2.207 7.312 1.00 0.00 O ATOM 302 CB ILE A 29 2.483 -0.069 7.055 1.00 0.00 C ATOM 303 CG1 ILE A 29 1.149 -0.795 6.849 1.00 0.00 C ATOM 304 CG2 ILE A 29 3.608 -1.095 7.193 1.00 0.00 C ATOM 305 CD1 ILE A 29 1.246 -1.725 5.636 1.00 0.00 C ATOM 0 H ILE A 29 1.097 2.382 7.858 1.00 0.00 H new ATOM 0 HA ILE A 29 2.494 0.109 9.199 1.00 0.00 H new ATOM 0 HB ILE A 29 2.679 0.577 6.199 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.896 -1.370 7.740 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.349 -0.070 6.700 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.666 -1.696 6.285 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.555 -0.578 7.347 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.406 -1.744 8.045 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.295 -2.238 5.494 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.478 -1.140 4.746 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.034 -2.460 5.803 1.00 0.00 H new ATOM 317 N PRO A 30 3.999 2.187 9.515 1.00 0.00 N ATOM 318 CA PRO A 30 5.114 3.171 9.659 1.00 0.00 C ATOM 319 C PRO A 30 6.355 2.725 8.874 1.00 0.00 C ATOM 320 O PRO A 30 7.127 3.532 8.393 1.00 0.00 O ATOM 321 CB PRO A 30 5.404 3.182 11.171 1.00 0.00 C ATOM 322 CG PRO A 30 4.136 2.712 11.815 1.00 0.00 C ATOM 323 CD PRO A 30 3.486 1.750 10.823 1.00 0.00 C ATOM 0 HA PRO A 30 4.852 4.154 9.268 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.238 2.525 11.417 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.673 4.181 11.514 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.342 2.214 12.762 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.476 3.551 12.033 1.00 0.00 H new ATOM 0 HD2 PRO A 30 3.758 0.716 11.033 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.398 1.808 10.865 1.00 0.00 H new ATOM 331 N ASP A 31 6.544 1.441 8.751 1.00 0.00 N ATOM 332 CA ASP A 31 7.725 0.910 8.009 1.00 0.00 C ATOM 333 C ASP A 31 7.518 1.139 6.511 1.00 0.00 C ATOM 334 O ASP A 31 8.221 0.592 5.681 1.00 0.00 O ATOM 335 CB ASP A 31 7.856 -0.594 8.297 1.00 0.00 C ATOM 336 CG ASP A 31 9.168 -1.119 7.714 1.00 0.00 C ATOM 337 OD1 ASP A 31 9.995 -0.308 7.336 1.00 0.00 O ATOM 338 OD2 ASP A 31 9.326 -2.330 7.659 1.00 0.00 O ATOM 0 H ASP A 31 5.925 0.728 9.137 1.00 0.00 H new ATOM 0 HA ASP A 31 8.634 1.421 8.327 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.828 -0.772 9.372 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.013 -1.132 7.863 1.00 0.00 H new ATOM 343 N PHE A 32 6.556 1.946 6.165 1.00 0.00 N ATOM 344 CA PHE A 32 6.274 2.228 4.726 1.00 0.00 C ATOM 345 C PHE A 32 7.487 2.874 4.068 1.00 0.00 C ATOM 346 O PHE A 32 8.046 3.831 4.562 1.00 0.00 O ATOM 347 CB PHE A 32 5.077 3.178 4.624 1.00 0.00 C ATOM 348 CG PHE A 32 4.850 3.549 3.179 1.00 0.00 C ATOM 349 CD1 PHE A 32 5.616 4.559 2.587 1.00 0.00 C ATOM 350 CD2 PHE A 32 3.874 2.880 2.432 1.00 0.00 C ATOM 351 CE1 PHE A 32 5.407 4.900 1.245 1.00 0.00 C ATOM 352 CE2 PHE A 32 3.664 3.221 1.092 1.00 0.00 C ATOM 353 CZ PHE A 32 4.430 4.232 0.497 1.00 0.00 C ATOM 0 H PHE A 32 5.945 2.429 6.823 1.00 0.00 H new ATOM 0 HA PHE A 32 6.051 1.291 4.216 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.186 2.702 5.033 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.259 4.075 5.216 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.368 5.075 3.165 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.283 2.101 2.890 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.999 5.678 0.787 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.911 2.705 0.515 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.267 4.496 -0.538 1.00 0.00 H new ATOM 363 N ASN A 33 7.885 2.351 2.944 1.00 0.00 N ATOM 364 CA ASN A 33 9.060 2.903 2.197 1.00 0.00 C ATOM 365 C ASN A 33 8.594 3.376 0.821 1.00 0.00 C ATOM 366 O ASN A 33 8.699 4.538 0.486 1.00 0.00 O ATOM 367 CB ASN A 33 10.098 1.798 2.011 1.00 0.00 C ATOM 368 CG ASN A 33 11.368 2.397 1.412 1.00 0.00 C ATOM 369 OD1 ASN A 33 11.345 3.483 0.867 1.00 0.00 O ATOM 370 ND2 ASN A 33 12.487 1.732 1.490 1.00 0.00 N ATOM 0 H ASN A 33 7.440 1.548 2.499 1.00 0.00 H new ATOM 0 HA ASN A 33 9.495 3.734 2.753 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.320 1.327 2.968 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.705 1.020 1.357 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.342 2.123 1.094 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.508 0.820 1.947 1.00 0.00 H new ATOM 377 N THR A 34 8.087 2.476 0.023 1.00 0.00 N ATOM 378 CA THR A 34 7.619 2.859 -1.346 1.00 0.00 C ATOM 379 C THR A 34 6.413 2.018 -1.736 1.00 0.00 C ATOM 380 O THR A 34 6.119 1.008 -1.127 1.00 0.00 O ATOM 381 CB THR A 34 8.746 2.629 -2.361 1.00 0.00 C ATOM 382 OG1 THR A 34 8.246 2.856 -3.669 1.00 0.00 O ATOM 383 CG2 THR A 34 9.274 1.192 -2.258 1.00 0.00 C ATOM 0 H THR A 34 7.975 1.490 0.258 1.00 0.00 H new ATOM 0 HA THR A 34 7.339 3.912 -1.342 1.00 0.00 H new ATOM 0 HB THR A 34 9.563 3.318 -2.148 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.962 2.712 -4.322 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.073 1.045 -2.985 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.660 1.017 -1.254 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.464 0.491 -2.462 1.00 0.00 H new ATOM 391 N VAL A 35 5.712 2.443 -2.752 1.00 0.00 N ATOM 392 CA VAL A 35 4.500 1.703 -3.227 1.00 0.00 C ATOM 393 C VAL A 35 4.547 1.564 -4.745 1.00 0.00 C ATOM 394 O VAL A 35 4.896 2.483 -5.456 1.00 0.00 O ATOM 395 CB VAL A 35 3.245 2.480 -2.815 1.00 0.00 C ATOM 396 CG1 VAL A 35 3.111 3.764 -3.643 1.00 0.00 C ATOM 397 CG2 VAL A 35 2.015 1.600 -3.040 1.00 0.00 C ATOM 0 H VAL A 35 5.929 3.286 -3.284 1.00 0.00 H new ATOM 0 HA VAL A 35 4.477 0.709 -2.780 1.00 0.00 H new ATOM 0 HB VAL A 35 3.325 2.750 -1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.214 4.303 -3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.986 4.394 -3.481 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.038 3.509 -4.700 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.118 2.147 -2.749 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.949 1.330 -4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.100 0.695 -2.438 1.00 0.00 H new ATOM 407 N THR A 36 4.191 0.409 -5.239 1.00 0.00 N ATOM 408 CA THR A 36 4.198 0.169 -6.717 1.00 0.00 C ATOM 409 C THR A 36 2.833 -0.354 -7.156 1.00 0.00 C ATOM 410 O THR A 36 2.416 -1.434 -6.789 1.00 0.00 O ATOM 411 CB THR A 36 5.277 -0.859 -7.054 1.00 0.00 C ATOM 412 OG1 THR A 36 6.547 -0.334 -6.690 1.00 0.00 O ATOM 413 CG2 THR A 36 5.246 -1.146 -8.553 1.00 0.00 C ATOM 0 H THR A 36 3.892 -0.389 -4.678 1.00 0.00 H new ATOM 0 HA THR A 36 4.408 1.102 -7.240 1.00 0.00 H new ATOM 0 HB THR A 36 5.096 -1.784 -6.507 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.245 -0.989 -6.902 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.014 -1.879 -8.799 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.267 -1.540 -8.828 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.434 -0.224 -9.104 1.00 0.00 H new ATOM 421 N PHE A 37 2.145 0.412 -7.956 1.00 0.00 N ATOM 422 CA PHE A 37 0.800 -0.008 -8.454 1.00 0.00 C ATOM 423 C PHE A 37 0.948 -0.693 -9.808 1.00 0.00 C ATOM 424 O PHE A 37 1.528 -0.161 -10.734 1.00 0.00 O ATOM 425 CB PHE A 37 -0.101 1.220 -8.597 1.00 0.00 C ATOM 426 CG PHE A 37 -0.210 1.921 -7.260 1.00 0.00 C ATOM 427 CD1 PHE A 37 -0.990 1.359 -6.241 1.00 0.00 C ATOM 428 CD2 PHE A 37 0.466 3.127 -7.038 1.00 0.00 C ATOM 429 CE1 PHE A 37 -1.092 2.003 -5.001 1.00 0.00 C ATOM 430 CE2 PHE A 37 0.362 3.770 -5.800 1.00 0.00 C ATOM 431 CZ PHE A 37 -0.416 3.208 -4.783 1.00 0.00 C ATOM 0 H PHE A 37 2.459 1.323 -8.291 1.00 0.00 H new ATOM 0 HA PHE A 37 0.353 -0.703 -7.744 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.308 1.900 -9.344 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.090 0.921 -8.945 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.513 0.429 -6.411 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.068 3.561 -7.823 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.692 1.570 -4.214 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.883 4.701 -5.630 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.495 3.705 -3.828 1.00 0.00 H new ATOM 441 N THR A 38 0.416 -1.875 -9.921 1.00 0.00 N ATOM 442 CA THR A 38 0.500 -2.622 -11.209 1.00 0.00 C ATOM 443 C THR A 38 -0.641 -3.637 -11.276 1.00 0.00 C ATOM 444 O THR A 38 -0.486 -4.787 -10.920 1.00 0.00 O ATOM 445 CB THR A 38 1.855 -3.336 -11.304 1.00 0.00 C ATOM 446 OG1 THR A 38 1.774 -4.374 -12.268 1.00 0.00 O ATOM 447 CG2 THR A 38 2.242 -3.921 -9.943 1.00 0.00 C ATOM 0 H THR A 38 -0.078 -2.361 -9.172 1.00 0.00 H new ATOM 0 HA THR A 38 0.411 -1.929 -12.045 1.00 0.00 H new ATOM 0 HB THR A 38 2.617 -2.617 -11.605 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.188 -5.085 -11.934 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.205 -4.425 -10.024 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.313 -3.118 -9.209 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.484 -4.637 -9.626 1.00 0.00 H new ATOM 455 N ASN A 39 -1.784 -3.206 -11.737 1.00 0.00 N ATOM 456 CA ASN A 39 -2.965 -4.113 -11.851 1.00 0.00 C ATOM 457 C ASN A 39 -4.128 -3.339 -12.480 1.00 0.00 C ATOM 458 O ASN A 39 -4.583 -3.650 -13.563 1.00 0.00 O ATOM 459 CB ASN A 39 -3.379 -4.602 -10.463 1.00 0.00 C ATOM 460 CG ASN A 39 -4.632 -5.474 -10.573 1.00 0.00 C ATOM 461 OD1 ASN A 39 -5.688 -5.111 -10.092 1.00 0.00 O ATOM 462 ND2 ASN A 39 -4.562 -6.621 -11.192 1.00 0.00 N ATOM 0 H ASN A 39 -1.953 -2.248 -12.045 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.706 -4.971 -12.472 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.567 -5.171 -10.011 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.573 -3.751 -9.810 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.391 -7.209 -11.271 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.678 -6.929 -11.597 1.00 0.00 H new ATOM 469 N GLU A 40 -4.609 -2.330 -11.798 1.00 0.00 N ATOM 470 CA GLU A 40 -5.751 -1.512 -12.324 1.00 0.00 C ATOM 471 C GLU A 40 -6.796 -2.422 -12.962 1.00 0.00 C ATOM 472 O GLU A 40 -6.798 -2.636 -14.160 1.00 0.00 O ATOM 473 CB GLU A 40 -5.236 -0.505 -13.359 1.00 0.00 C ATOM 474 CG GLU A 40 -4.316 0.517 -12.678 1.00 0.00 C ATOM 475 CD GLU A 40 -5.108 1.342 -11.658 1.00 0.00 C ATOM 476 OE1 GLU A 40 -6.323 1.375 -11.762 1.00 0.00 O ATOM 477 OE2 GLU A 40 -4.483 1.926 -10.785 1.00 0.00 O ATOM 0 H GLU A 40 -4.256 -2.033 -10.888 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.210 -0.971 -11.496 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.694 -1.026 -14.148 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.075 0.006 -13.832 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.493 0.003 -12.181 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.875 1.176 -13.426 1.00 0.00 H new ATOM 484 N GLU A 41 -7.685 -2.955 -12.167 1.00 0.00 N ATOM 485 CA GLU A 41 -8.755 -3.863 -12.704 1.00 0.00 C ATOM 486 C GLU A 41 -10.133 -3.312 -12.352 1.00 0.00 C ATOM 487 O GLU A 41 -10.335 -2.687 -11.328 1.00 0.00 O ATOM 488 CB GLU A 41 -8.590 -5.257 -12.099 1.00 0.00 C ATOM 489 CG GLU A 41 -7.277 -5.875 -12.593 1.00 0.00 C ATOM 490 CD GLU A 41 -7.363 -6.133 -14.101 1.00 0.00 C ATOM 491 OE1 GLU A 41 -8.472 -6.214 -14.605 1.00 0.00 O ATOM 492 OE2 GLU A 41 -6.321 -6.239 -14.723 1.00 0.00 O ATOM 0 H GLU A 41 -7.721 -2.802 -11.159 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.663 -3.922 -13.789 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.589 -5.195 -11.011 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -9.431 -5.890 -12.381 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.444 -5.206 -12.376 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.082 -6.808 -12.065 1.00 0.00 H new ATOM 499 N PHE A 42 -11.082 -3.539 -13.215 1.00 0.00 N ATOM 500 CA PHE A 42 -12.471 -3.035 -12.987 1.00 0.00 C ATOM 501 C PHE A 42 -13.268 -4.064 -12.202 1.00 0.00 C ATOM 502 O PHE A 42 -13.450 -5.186 -12.629 1.00 0.00 O ATOM 503 CB PHE A 42 -13.148 -2.783 -14.341 1.00 0.00 C ATOM 504 CG PHE A 42 -13.212 -4.064 -15.150 1.00 0.00 C ATOM 505 CD1 PHE A 42 -12.147 -4.419 -15.988 1.00 0.00 C ATOM 506 CD2 PHE A 42 -14.342 -4.891 -15.068 1.00 0.00 C ATOM 507 CE1 PHE A 42 -12.210 -5.600 -16.739 1.00 0.00 C ATOM 508 CE2 PHE A 42 -14.403 -6.072 -15.819 1.00 0.00 C ATOM 509 CZ PHE A 42 -13.338 -6.426 -16.657 1.00 0.00 C ATOM 0 H PHE A 42 -10.955 -4.060 -14.083 1.00 0.00 H new ATOM 0 HA PHE A 42 -12.431 -2.105 -12.420 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -14.154 -2.394 -14.184 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -12.596 -2.024 -14.895 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -11.277 -3.782 -16.055 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -15.166 -4.617 -14.425 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.387 -5.874 -17.382 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -15.272 -6.710 -15.752 1.00 0.00 H new ATOM 0 HZ PHE A 42 -13.387 -7.334 -17.239 1.00 0.00 H new ATOM 519 N ASN A 43 -13.749 -3.681 -11.049 1.00 0.00 N ATOM 520 CA ASN A 43 -14.548 -4.620 -10.205 1.00 0.00 C ATOM 521 C ASN A 43 -16.023 -4.200 -10.247 1.00 0.00 C ATOM 522 O ASN A 43 -16.340 -3.046 -10.473 1.00 0.00 O ATOM 523 CB ASN A 43 -14.036 -4.577 -8.755 1.00 0.00 C ATOM 524 CG ASN A 43 -12.859 -5.546 -8.606 1.00 0.00 C ATOM 525 OD1 ASN A 43 -12.380 -6.096 -9.578 1.00 0.00 O ATOM 526 ND2 ASN A 43 -12.377 -5.788 -7.422 1.00 0.00 N ATOM 0 H ASN A 43 -13.622 -2.750 -10.652 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.446 -5.636 -10.587 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.724 -3.565 -8.497 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -14.836 -4.849 -8.066 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.599 -6.438 -7.311 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.777 -5.328 -6.605 1.00 0.00 H new ATOM 533 N PRO A 44 -16.920 -5.132 -10.018 1.00 0.00 N ATOM 534 CA PRO A 44 -18.384 -4.853 -10.023 1.00 0.00 C ATOM 535 C PRO A 44 -18.729 -3.590 -9.222 1.00 0.00 C ATOM 536 O PRO A 44 -19.560 -2.794 -9.621 1.00 0.00 O ATOM 537 CB PRO A 44 -18.982 -6.093 -9.338 1.00 0.00 C ATOM 538 CG PRO A 44 -18.013 -7.201 -9.607 1.00 0.00 C ATOM 539 CD PRO A 44 -16.635 -6.555 -9.743 1.00 0.00 C ATOM 0 HA PRO A 44 -18.766 -4.676 -11.028 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -19.105 -5.930 -8.267 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -19.968 -6.327 -9.740 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -18.021 -7.928 -8.795 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -18.281 -7.737 -10.518 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -16.049 -6.674 -8.832 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -16.062 -7.009 -10.552 1.00 0.00 H new ATOM 547 N ILE A 45 -18.095 -3.406 -8.100 1.00 0.00 N ATOM 548 CA ILE A 45 -18.369 -2.203 -7.260 1.00 0.00 C ATOM 549 C ILE A 45 -17.827 -0.954 -7.959 1.00 0.00 C ATOM 550 O ILE A 45 -18.435 0.098 -7.926 1.00 0.00 O ATOM 551 CB ILE A 45 -17.690 -2.368 -5.892 1.00 0.00 C ATOM 552 CG1 ILE A 45 -18.147 -1.240 -4.961 1.00 0.00 C ATOM 553 CG2 ILE A 45 -16.166 -2.310 -6.053 1.00 0.00 C ATOM 554 CD1 ILE A 45 -17.736 -1.558 -3.522 1.00 0.00 C ATOM 0 H ILE A 45 -17.392 -4.042 -7.723 1.00 0.00 H new ATOM 0 HA ILE A 45 -19.444 -2.096 -7.118 1.00 0.00 H new ATOM 0 HB ILE A 45 -17.967 -3.333 -5.467 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -17.704 -0.295 -5.275 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -19.229 -1.121 -5.022 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -15.692 -2.428 -5.078 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -15.839 -3.112 -6.715 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -15.882 -1.349 -6.481 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -18.063 -0.753 -2.864 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -18.200 -2.494 -3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -16.652 -1.654 -3.466 1.00 0.00 H new ATOM 566 N GLY A 46 -16.687 -1.056 -8.583 1.00 0.00 N ATOM 567 CA GLY A 46 -16.108 0.139 -9.280 1.00 0.00 C ATOM 568 C GLY A 46 -14.702 -0.184 -9.788 1.00 0.00 C ATOM 569 O GLY A 46 -14.530 -0.914 -10.745 1.00 0.00 O ATOM 0 H GLY A 46 -16.129 -1.908 -8.644 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -16.747 0.430 -10.114 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -16.071 0.987 -8.596 1.00 0.00 H new ATOM 573 N ILE A 47 -13.698 0.369 -9.158 1.00 0.00 N ATOM 574 CA ILE A 47 -12.281 0.127 -9.593 1.00 0.00 C ATOM 575 C ILE A 47 -11.480 -0.485 -8.454 1.00 0.00 C ATOM 576 O ILE A 47 -11.672 -0.171 -7.298 1.00 0.00 O ATOM 577 CB ILE A 47 -11.651 1.458 -10.024 1.00 0.00 C ATOM 578 CG1 ILE A 47 -11.735 2.485 -8.886 1.00 0.00 C ATOM 579 CG2 ILE A 47 -12.398 1.991 -11.246 1.00 0.00 C ATOM 580 CD1 ILE A 47 -10.923 3.728 -9.259 1.00 0.00 C ATOM 0 H ILE A 47 -13.796 0.985 -8.351 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.274 -0.567 -10.433 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.602 1.293 -10.269 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.775 2.758 -8.704 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.353 2.052 -7.962 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.956 2.937 -11.558 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.325 1.270 -12.060 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -13.447 2.147 -10.992 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.982 4.457 -8.451 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.882 3.448 -9.419 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.326 4.165 -10.173 1.00 0.00 H new ATOM 592 N SER A 48 -10.583 -1.373 -8.788 1.00 0.00 N ATOM 593 CA SER A 48 -9.741 -2.053 -7.752 1.00 0.00 C ATOM 594 C SER A 48 -8.266 -1.751 -7.995 1.00 0.00 C ATOM 595 O SER A 48 -7.774 -1.821 -9.107 1.00 0.00 O ATOM 596 CB SER A 48 -9.968 -3.562 -7.832 1.00 0.00 C ATOM 597 OG SER A 48 -9.119 -4.207 -6.894 1.00 0.00 O ATOM 0 H SER A 48 -10.393 -1.663 -9.747 1.00 0.00 H new ATOM 0 HA SER A 48 -10.022 -1.686 -6.765 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.011 -3.798 -7.620 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.758 -3.922 -8.839 1.00 0.00 H new ATOM 0 HG SER A 48 -9.260 -5.176 -6.938 1.00 0.00 H new ATOM 603 N ILE A 49 -7.559 -1.426 -6.946 1.00 0.00 N ATOM 604 CA ILE A 49 -6.097 -1.116 -7.061 1.00 0.00 C ATOM 605 C ILE A 49 -5.296 -2.166 -6.298 1.00 0.00 C ATOM 606 O ILE A 49 -5.565 -2.465 -5.152 1.00 0.00 O ATOM 607 CB ILE A 49 -5.819 0.265 -6.470 1.00 0.00 C ATOM 608 CG1 ILE A 49 -6.547 1.322 -7.304 1.00 0.00 C ATOM 609 CG2 ILE A 49 -4.314 0.532 -6.505 1.00 0.00 C ATOM 610 CD1 ILE A 49 -6.490 2.673 -6.587 1.00 0.00 C ATOM 0 H ILE A 49 -7.934 -1.360 -6.000 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.805 -1.126 -8.111 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.172 0.307 -5.440 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -6.087 1.402 -8.289 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.584 1.025 -7.460 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.109 1.517 -6.084 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.796 -0.228 -5.920 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.962 0.498 -7.536 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.009 3.423 -7.183 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.970 2.588 -5.612 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.450 2.971 -6.454 1.00 0.00 H new ATOM 622 N ASP A 50 -4.314 -2.728 -6.944 1.00 0.00 N ATOM 623 CA ASP A 50 -3.463 -3.777 -6.299 1.00 0.00 C ATOM 624 C ASP A 50 -1.985 -3.477 -6.564 1.00 0.00 C ATOM 625 O ASP A 50 -1.601 -3.030 -7.631 1.00 0.00 O ATOM 626 CB ASP A 50 -3.817 -5.142 -6.888 1.00 0.00 C ATOM 627 CG ASP A 50 -3.026 -6.231 -6.164 1.00 0.00 C ATOM 628 OD1 ASP A 50 -2.182 -5.886 -5.356 1.00 0.00 O ATOM 629 OD2 ASP A 50 -3.272 -7.394 -6.435 1.00 0.00 O ATOM 0 H ASP A 50 -4.058 -2.505 -7.906 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.642 -3.781 -5.224 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.886 -5.327 -6.787 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.589 -5.160 -7.954 1.00 0.00 H new ATOM 634 N GLY A 51 -1.156 -3.726 -5.591 1.00 0.00 N ATOM 635 CA GLY A 51 0.304 -3.464 -5.763 1.00 0.00 C ATOM 636 C GLY A 51 1.078 -3.984 -4.551 1.00 0.00 C ATOM 637 O GLY A 51 0.574 -4.752 -3.754 1.00 0.00 O ATOM 0 H GLY A 51 -1.424 -4.100 -4.681 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.664 -3.950 -6.670 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.478 -2.395 -5.884 1.00 0.00 H new ATOM 641 N TYR A 52 2.306 -3.568 -4.418 1.00 0.00 N ATOM 642 CA TYR A 52 3.153 -4.022 -3.271 1.00 0.00 C ATOM 643 C TYR A 52 4.029 -2.881 -2.779 1.00 0.00 C ATOM 644 O TYR A 52 4.186 -1.868 -3.430 1.00 0.00 O ATOM 645 CB TYR A 52 4.038 -5.198 -3.701 1.00 0.00 C ATOM 646 CG TYR A 52 4.762 -4.873 -4.990 1.00 0.00 C ATOM 647 CD1 TYR A 52 5.964 -4.152 -4.963 1.00 0.00 C ATOM 648 CD2 TYR A 52 4.237 -5.307 -6.213 1.00 0.00 C ATOM 649 CE1 TYR A 52 6.633 -3.860 -6.160 1.00 0.00 C ATOM 650 CE2 TYR A 52 4.906 -5.015 -7.408 1.00 0.00 C ATOM 651 CZ TYR A 52 6.104 -4.294 -7.381 1.00 0.00 C ATOM 652 OH TYR A 52 6.763 -4.006 -8.559 1.00 0.00 O ATOM 0 H TYR A 52 2.768 -2.925 -5.061 1.00 0.00 H new ATOM 0 HA TYR A 52 2.496 -4.343 -2.462 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.762 -5.422 -2.917 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.427 -6.091 -3.835 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.375 -3.822 -4.020 1.00 0.00 H new ATOM 0 HD2 TYR A 52 3.314 -5.868 -6.235 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.556 -3.300 -6.140 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.497 -5.347 -8.351 1.00 0.00 H new ATOM 0 HH TYR A 52 6.262 -4.380 -9.314 1.00 0.00 H new ATOM 662 N ILE A 53 4.587 -3.046 -1.609 1.00 0.00 N ATOM 663 CA ILE A 53 5.454 -1.982 -1.006 1.00 0.00 C ATOM 664 C ILE A 53 6.846 -2.527 -0.704 1.00 0.00 C ATOM 665 O ILE A 53 7.093 -3.717 -0.742 1.00 0.00 O ATOM 666 CB ILE A 53 4.815 -1.487 0.296 1.00 0.00 C ATOM 667 CG1 ILE A 53 4.630 -2.658 1.274 1.00 0.00 C ATOM 668 CG2 ILE A 53 3.453 -0.862 -0.014 1.00 0.00 C ATOM 669 CD1 ILE A 53 4.165 -2.127 2.633 1.00 0.00 C ATOM 0 H ILE A 53 4.479 -3.883 -1.035 1.00 0.00 H new ATOM 0 HA ILE A 53 5.545 -1.161 -1.718 1.00 0.00 H new ATOM 0 HB ILE A 53 5.468 -0.743 0.753 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.898 -3.363 0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.568 -3.202 1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.996 -0.509 0.910 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.585 -0.023 -0.697 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.807 -1.608 -0.476 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.035 -2.960 3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.912 -1.440 3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.217 -1.603 2.514 1.00 0.00 H new ATOM 681 N ASN A 54 7.756 -1.639 -0.418 1.00 0.00 N ATOM 682 CA ASN A 54 9.162 -2.038 -0.108 1.00 0.00 C ATOM 683 C ASN A 54 9.734 -2.833 -1.278 1.00 0.00 C ATOM 684 O ASN A 54 10.525 -3.747 -1.106 1.00 0.00 O ATOM 685 CB ASN A 54 9.200 -2.876 1.176 1.00 0.00 C ATOM 686 CG ASN A 54 8.897 -1.978 2.378 1.00 0.00 C ATOM 687 OD1 ASN A 54 9.691 -1.127 2.732 1.00 0.00 O ATOM 688 ND2 ASN A 54 7.772 -2.125 3.022 1.00 0.00 N ATOM 0 H ASN A 54 7.584 -0.634 -0.385 1.00 0.00 H new ATOM 0 HA ASN A 54 9.767 -1.144 0.045 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.470 -3.683 1.118 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.180 -3.340 1.292 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.560 -1.527 3.821 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.105 -2.838 2.727 1.00 0.00 H new ATOM 695 N ASN A 55 9.337 -2.486 -2.469 1.00 0.00 N ATOM 696 CA ASN A 55 9.835 -3.196 -3.686 1.00 0.00 C ATOM 697 C ASN A 55 9.806 -4.701 -3.439 1.00 0.00 C ATOM 698 O ASN A 55 10.534 -5.456 -4.054 1.00 0.00 O ATOM 699 CB ASN A 55 11.271 -2.736 -3.997 1.00 0.00 C ATOM 700 CG ASN A 55 11.582 -2.971 -5.479 1.00 0.00 C ATOM 701 OD1 ASN A 55 12.075 -4.018 -5.853 1.00 0.00 O ATOM 702 ND2 ASN A 55 11.305 -2.035 -6.346 1.00 0.00 N ATOM 0 H ASN A 55 8.679 -1.730 -2.657 1.00 0.00 H new ATOM 0 HA ASN A 55 9.196 -2.962 -4.538 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.384 -1.679 -3.755 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.980 -3.283 -3.376 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.502 -2.182 -7.336 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.891 -1.157 -6.033 1.00 0.00 H new ATOM 709 N ASP A 56 8.964 -5.142 -2.540 1.00 0.00 N ATOM 710 CA ASP A 56 8.866 -6.607 -2.231 1.00 0.00 C ATOM 711 C ASP A 56 7.554 -7.154 -2.790 1.00 0.00 C ATOM 712 O ASP A 56 6.479 -6.849 -2.310 1.00 0.00 O ATOM 713 CB ASP A 56 8.910 -6.815 -0.718 1.00 0.00 C ATOM 714 CG ASP A 56 10.331 -6.552 -0.201 1.00 0.00 C ATOM 715 OD1 ASP A 56 11.237 -6.484 -1.014 1.00 0.00 O ATOM 716 OD2 ASP A 56 10.487 -6.429 1.004 1.00 0.00 O ATOM 0 H ASP A 56 8.334 -4.548 -2.001 1.00 0.00 H new ATOM 0 HA ASP A 56 9.703 -7.135 -2.689 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.204 -6.144 -0.228 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.606 -7.832 -0.472 1.00 0.00 H new ATOM 721 N LYS A 57 7.646 -7.972 -3.793 1.00 0.00 N ATOM 722 CA LYS A 57 6.433 -8.572 -4.424 1.00 0.00 C ATOM 723 C LYS A 57 5.644 -9.372 -3.389 1.00 0.00 C ATOM 724 O LYS A 57 4.432 -9.470 -3.463 1.00 0.00 O ATOM 725 CB LYS A 57 6.879 -9.503 -5.557 1.00 0.00 C ATOM 726 CG LYS A 57 7.455 -8.667 -6.720 1.00 0.00 C ATOM 727 CD LYS A 57 6.317 -8.223 -7.666 1.00 0.00 C ATOM 728 CE LYS A 57 6.122 -9.267 -8.774 1.00 0.00 C ATOM 729 NZ LYS A 57 6.308 -10.637 -8.210 1.00 0.00 N ATOM 0 H LYS A 57 8.529 -8.260 -4.216 1.00 0.00 H new ATOM 0 HA LYS A 57 5.795 -7.780 -4.816 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.631 -10.202 -5.192 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.035 -10.097 -5.907 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.975 -7.793 -6.328 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.189 -9.254 -7.272 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.392 -8.100 -7.103 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.554 -7.254 -8.105 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.125 -9.173 -9.205 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.836 -9.095 -9.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.109 -11.345 -8.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.288 -10.746 -7.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.656 -10.775 -7.411 1.00 0.00 H new ATOM 743 N ASN A 58 6.313 -9.948 -2.438 1.00 0.00 N ATOM 744 CA ASN A 58 5.606 -10.752 -1.394 1.00 0.00 C ATOM 745 C ASN A 58 4.647 -9.849 -0.617 1.00 0.00 C ATOM 746 O ASN A 58 3.557 -10.250 -0.256 1.00 0.00 O ATOM 747 CB ASN A 58 6.638 -11.343 -0.423 1.00 0.00 C ATOM 748 CG ASN A 58 7.329 -12.547 -1.067 1.00 0.00 C ATOM 749 OD1 ASN A 58 8.516 -12.742 -0.900 1.00 0.00 O ATOM 750 ND2 ASN A 58 6.630 -13.376 -1.792 1.00 0.00 N ATOM 0 H ASN A 58 7.326 -9.900 -2.332 1.00 0.00 H new ATOM 0 HA ASN A 58 5.046 -11.556 -1.872 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.377 -10.587 -0.159 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.148 -11.646 0.502 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.080 -14.186 -2.217 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.633 -13.214 -1.933 1.00 0.00 H new ATOM 757 N LEU A 59 5.052 -8.639 -0.345 1.00 0.00 N ATOM 758 CA LEU A 59 4.175 -7.705 0.427 1.00 0.00 C ATOM 759 C LEU A 59 3.173 -7.049 -0.517 1.00 0.00 C ATOM 760 O LEU A 59 3.300 -5.891 -0.878 1.00 0.00 O ATOM 761 CB LEU A 59 5.040 -6.631 1.098 1.00 0.00 C ATOM 762 CG LEU A 59 6.114 -7.296 1.972 1.00 0.00 C ATOM 763 CD1 LEU A 59 6.966 -6.212 2.640 1.00 0.00 C ATOM 764 CD2 LEU A 59 5.449 -8.165 3.051 1.00 0.00 C ATOM 0 H LEU A 59 5.954 -8.253 -0.624 1.00 0.00 H new ATOM 0 HA LEU A 59 3.634 -8.261 1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.512 -6.005 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.416 -5.977 1.708 1.00 0.00 H new ATOM 0 HG LEU A 59 6.746 -7.927 1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.729 -6.681 3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.445 -5.602 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.330 -5.581 3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.218 -8.633 3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.812 -7.542 3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.845 -8.938 2.575 1.00 0.00 H new ATOM 776 N SER A 60 2.175 -7.789 -0.918 1.00 0.00 N ATOM 777 CA SER A 60 1.139 -7.244 -1.849 1.00 0.00 C ATOM 778 C SER A 60 -0.072 -6.741 -1.063 1.00 0.00 C ATOM 779 O SER A 60 -0.340 -7.164 0.050 1.00 0.00 O ATOM 780 CB SER A 60 0.688 -8.348 -2.807 1.00 0.00 C ATOM 781 OG SER A 60 1.696 -8.549 -3.790 1.00 0.00 O ATOM 0 H SER A 60 2.030 -8.759 -0.638 1.00 0.00 H new ATOM 0 HA SER A 60 1.571 -6.414 -2.408 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.508 -9.272 -2.258 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.253 -8.072 -3.283 1.00 0.00 H new ATOM 0 HG SER A 60 2.511 -8.881 -3.359 1.00 0.00 H new ATOM 787 N PHE A 61 -0.803 -5.837 -1.656 1.00 0.00 N ATOM 788 CA PHE A 61 -2.016 -5.270 -0.995 1.00 0.00 C ATOM 789 C PHE A 61 -3.073 -4.935 -2.046 1.00 0.00 C ATOM 790 O PHE A 61 -2.777 -4.742 -3.208 1.00 0.00 O ATOM 791 CB PHE A 61 -1.638 -3.999 -0.229 1.00 0.00 C ATOM 792 CG PHE A 61 -1.138 -2.933 -1.181 1.00 0.00 C ATOM 793 CD1 PHE A 61 -2.051 -2.102 -1.843 1.00 0.00 C ATOM 794 CD2 PHE A 61 0.237 -2.761 -1.385 1.00 0.00 C ATOM 795 CE1 PHE A 61 -1.589 -1.105 -2.712 1.00 0.00 C ATOM 796 CE2 PHE A 61 0.698 -1.765 -2.256 1.00 0.00 C ATOM 797 CZ PHE A 61 -0.215 -0.935 -2.917 1.00 0.00 C ATOM 0 H PHE A 61 -0.609 -5.461 -2.584 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.420 -6.007 -0.301 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.503 -3.627 0.320 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.868 -4.227 0.507 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.111 -2.230 -1.683 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.942 -3.397 -0.871 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.294 -0.467 -3.224 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.758 -1.638 -2.417 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.141 -0.164 -3.585 1.00 0.00 H new ATOM 807 N THR A 62 -4.310 -4.877 -1.635 1.00 0.00 N ATOM 808 CA THR A 62 -5.423 -4.562 -2.587 1.00 0.00 C ATOM 809 C THR A 62 -6.450 -3.660 -1.905 1.00 0.00 C ATOM 810 O THR A 62 -6.792 -3.847 -0.757 1.00 0.00 O ATOM 811 CB THR A 62 -6.090 -5.862 -3.036 1.00 0.00 C ATOM 812 OG1 THR A 62 -5.135 -6.667 -3.714 1.00 0.00 O ATOM 813 CG2 THR A 62 -7.252 -5.543 -3.978 1.00 0.00 C ATOM 0 H THR A 62 -4.604 -5.035 -0.671 1.00 0.00 H new ATOM 0 HA THR A 62 -5.020 -4.043 -3.457 1.00 0.00 H new ATOM 0 HB THR A 62 -6.469 -6.398 -2.166 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.558 -7.503 -4.003 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.727 -6.471 -4.297 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.982 -4.922 -3.458 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.877 -5.008 -4.851 1.00 0.00 H new ATOM 821 N ALA A 63 -6.942 -2.687 -2.619 1.00 0.00 N ATOM 822 CA ALA A 63 -7.960 -1.750 -2.047 1.00 0.00 C ATOM 823 C ALA A 63 -8.952 -1.345 -3.138 1.00 0.00 C ATOM 824 O ALA A 63 -8.606 -1.207 -4.296 1.00 0.00 O ATOM 825 CB ALA A 63 -7.258 -0.508 -1.499 1.00 0.00 C ATOM 0 H ALA A 63 -6.682 -2.495 -3.586 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.498 -2.245 -1.239 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.999 0.175 -1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.556 -0.801 -0.719 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.718 -0.010 -2.304 1.00 0.00 H new ATOM 831 N GLY A 64 -10.194 -1.172 -2.770 1.00 0.00 N ATOM 832 CA GLY A 64 -11.246 -0.796 -3.766 1.00 0.00 C ATOM 833 C GLY A 64 -11.496 0.703 -3.729 1.00 0.00 C ATOM 834 O GLY A 64 -11.742 1.273 -2.686 1.00 0.00 O ATOM 0 H GLY A 64 -10.530 -1.276 -1.813 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.933 -1.095 -4.766 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.170 -1.331 -3.548 1.00 0.00 H new ATOM 838 N LYS A 65 -11.449 1.325 -4.882 1.00 0.00 N ATOM 839 CA LYS A 65 -11.692 2.802 -5.014 1.00 0.00 C ATOM 840 C LYS A 65 -11.387 3.534 -3.703 1.00 0.00 C ATOM 841 O LYS A 65 -10.259 3.586 -3.253 1.00 0.00 O ATOM 842 CB LYS A 65 -13.156 3.040 -5.408 1.00 0.00 C ATOM 843 CG LYS A 65 -14.077 2.133 -4.578 1.00 0.00 C ATOM 844 CD LYS A 65 -15.535 2.373 -4.974 1.00 0.00 C ATOM 845 CE LYS A 65 -15.967 3.789 -4.566 1.00 0.00 C ATOM 846 NZ LYS A 65 -17.449 3.851 -4.480 1.00 0.00 N ATOM 0 H LYS A 65 -11.246 0.858 -5.766 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.027 3.194 -5.784 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.419 4.085 -5.246 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -13.293 2.837 -6.470 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.814 1.087 -4.739 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.941 2.336 -3.516 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -15.654 2.244 -6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -16.177 1.636 -4.492 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -15.525 4.052 -3.605 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.604 4.515 -5.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -17.741 4.810 -4.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -17.861 3.617 -5.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -17.784 3.169 -3.770 1.00 0.00 H new ATOM 860 N ASP A 66 -12.389 4.094 -3.086 1.00 0.00 N ATOM 861 CA ASP A 66 -12.183 4.833 -1.810 1.00 0.00 C ATOM 862 C ASP A 66 -11.878 3.851 -0.683 1.00 0.00 C ATOM 863 O ASP A 66 -12.635 3.687 0.256 1.00 0.00 O ATOM 864 CB ASP A 66 -13.448 5.641 -1.495 1.00 0.00 C ATOM 865 CG ASP A 66 -13.221 6.478 -0.238 1.00 0.00 C ATOM 866 OD1 ASP A 66 -12.201 6.285 0.402 1.00 0.00 O ATOM 867 OD2 ASP A 66 -14.074 7.295 0.068 1.00 0.00 O ATOM 0 H ASP A 66 -13.354 4.071 -3.416 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.337 5.513 -1.907 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.697 6.289 -2.336 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.294 4.969 -1.349 1.00 0.00 H new ATOM 872 N VAL A 67 -10.748 3.206 -0.774 1.00 0.00 N ATOM 873 CA VAL A 67 -10.328 2.227 0.271 1.00 0.00 C ATOM 874 C VAL A 67 -11.467 1.245 0.535 1.00 0.00 C ATOM 875 O VAL A 67 -11.452 0.495 1.494 1.00 0.00 O ATOM 876 CB VAL A 67 -9.956 2.980 1.561 1.00 0.00 C ATOM 877 CG1 VAL A 67 -8.981 2.134 2.384 1.00 0.00 C ATOM 878 CG2 VAL A 67 -9.286 4.313 1.201 1.00 0.00 C ATOM 0 H VAL A 67 -10.086 3.317 -1.542 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.457 1.670 -0.074 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.859 3.168 2.142 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.718 2.667 3.297 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.450 1.184 2.641 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.080 1.947 1.801 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.023 4.846 2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.384 4.122 0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.975 4.919 0.613 1.00 0.00 H new ATOM 888 N LYS A 68 -12.450 1.241 -0.315 1.00 0.00 N ATOM 889 CA LYS A 68 -13.603 0.315 -0.137 1.00 0.00 C ATOM 890 C LYS A 68 -13.120 -1.126 -0.190 1.00 0.00 C ATOM 891 O LYS A 68 -12.628 -1.606 -1.195 1.00 0.00 O ATOM 892 CB LYS A 68 -14.623 0.566 -1.253 1.00 0.00 C ATOM 893 CG LYS A 68 -15.140 2.008 -1.171 1.00 0.00 C ATOM 894 CD LYS A 68 -15.990 2.193 0.097 1.00 0.00 C ATOM 895 CE LYS A 68 -16.850 3.448 -0.033 1.00 0.00 C ATOM 896 NZ LYS A 68 -17.747 3.548 1.153 1.00 0.00 N ATOM 0 H LYS A 68 -12.507 1.845 -1.135 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.071 0.493 0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.163 0.390 -2.225 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.454 -0.134 -1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -14.301 2.703 -1.160 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -15.735 2.240 -2.054 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.625 1.321 0.250 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.343 2.274 0.971 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.217 4.333 -0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -17.440 3.407 -0.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.336 4.401 1.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -18.358 2.708 1.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.173 3.605 2.018 1.00 0.00 H new ATOM 910 N ILE A 69 -13.263 -1.811 0.907 1.00 0.00 N ATOM 911 CA ILE A 69 -12.833 -3.235 1.000 1.00 0.00 C ATOM 912 C ILE A 69 -11.365 -3.360 0.608 1.00 0.00 C ATOM 913 O ILE A 69 -10.976 -3.103 -0.516 1.00 0.00 O ATOM 914 CB ILE A 69 -13.701 -4.103 0.086 1.00 0.00 C ATOM 915 CG1 ILE A 69 -15.145 -4.097 0.602 1.00 0.00 C ATOM 916 CG2 ILE A 69 -13.163 -5.535 0.093 1.00 0.00 C ATOM 917 CD1 ILE A 69 -16.069 -4.732 -0.440 1.00 0.00 C ATOM 0 H ILE A 69 -13.669 -1.436 1.764 1.00 0.00 H new ATOM 0 HA ILE A 69 -12.953 -3.578 2.028 1.00 0.00 H new ATOM 0 HB ILE A 69 -13.676 -3.708 -0.930 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -15.208 -4.647 1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -15.463 -3.075 0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.778 -6.158 -0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.134 -5.539 -0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -13.193 -5.930 1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -17.094 -4.726 -0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -16.015 -4.163 -1.368 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -15.757 -5.760 -0.625 1.00 0.00 H new ATOM 929 N PHE A 70 -10.542 -3.756 1.540 1.00 0.00 N ATOM 930 CA PHE A 70 -9.082 -3.905 1.253 1.00 0.00 C ATOM 931 C PHE A 70 -8.540 -5.163 1.921 1.00 0.00 C ATOM 932 O PHE A 70 -9.057 -5.636 2.912 1.00 0.00 O ATOM 933 CB PHE A 70 -8.326 -2.684 1.783 1.00 0.00 C ATOM 934 CG PHE A 70 -8.546 -2.542 3.275 1.00 0.00 C ATOM 935 CD1 PHE A 70 -7.734 -3.247 4.174 1.00 0.00 C ATOM 936 CD2 PHE A 70 -9.554 -1.698 3.757 1.00 0.00 C ATOM 937 CE1 PHE A 70 -7.934 -3.110 5.554 1.00 0.00 C ATOM 938 CE2 PHE A 70 -9.753 -1.562 5.138 1.00 0.00 C ATOM 939 CZ PHE A 70 -8.943 -2.266 6.036 1.00 0.00 C ATOM 0 H PHE A 70 -10.818 -3.985 2.495 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.942 -3.984 0.175 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.261 -2.786 1.573 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.667 -1.785 1.270 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.954 -3.896 3.803 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -10.178 -1.152 3.065 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.310 -3.655 6.247 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -10.532 -0.913 5.509 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.096 -2.159 7.100 1.00 0.00 H new ATOM 949 N SER A 71 -7.492 -5.702 1.367 1.00 0.00 N ATOM 950 CA SER A 71 -6.874 -6.939 1.934 1.00 0.00 C ATOM 951 C SER A 71 -5.355 -6.845 1.824 1.00 0.00 C ATOM 952 O SER A 71 -4.818 -6.063 1.063 1.00 0.00 O ATOM 953 CB SER A 71 -7.366 -8.158 1.154 1.00 0.00 C ATOM 954 OG SER A 71 -6.618 -8.286 -0.047 1.00 0.00 O ATOM 0 H SER A 71 -7.029 -5.336 0.535 1.00 0.00 H new ATOM 0 HA SER A 71 -7.157 -7.039 2.982 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.259 -9.058 1.759 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.426 -8.053 0.925 1.00 0.00 H new ATOM 0 HG SER A 71 -6.932 -9.068 -0.546 1.00 0.00 H new ATOM 960 N SER A 72 -4.662 -7.632 2.595 1.00 0.00 N ATOM 961 CA SER A 72 -3.167 -7.601 2.572 1.00 0.00 C ATOM 962 C SER A 72 -2.602 -8.998 2.811 1.00 0.00 C ATOM 963 O SER A 72 -3.229 -9.853 3.406 1.00 0.00 O ATOM 964 CB SER A 72 -2.667 -6.666 3.668 1.00 0.00 C ATOM 965 OG SER A 72 -2.977 -5.325 3.315 1.00 0.00 O ATOM 0 H SER A 72 -5.067 -8.303 3.248 1.00 0.00 H new ATOM 0 HA SER A 72 -2.837 -7.247 1.596 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.132 -6.921 4.620 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.591 -6.781 3.798 1.00 0.00 H new ATOM 0 HG SER A 72 -2.659 -4.720 4.017 1.00 0.00 H new ATOM 971 N SER A 73 -1.409 -9.221 2.338 1.00 0.00 N ATOM 972 CA SER A 73 -0.755 -10.552 2.504 1.00 0.00 C ATOM 973 C SER A 73 -0.471 -10.824 3.978 1.00 0.00 C ATOM 974 O SER A 73 -0.483 -9.938 4.809 1.00 0.00 O ATOM 975 CB SER A 73 0.559 -10.566 1.717 1.00 0.00 C ATOM 976 OG SER A 73 1.319 -9.410 2.042 1.00 0.00 O ATOM 0 H SER A 73 -0.851 -8.530 1.837 1.00 0.00 H new ATOM 0 HA SER A 73 -1.422 -11.328 2.128 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.127 -11.466 1.953 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.354 -10.590 0.647 1.00 0.00 H new ATOM 0 HG SER A 73 2.266 -9.652 2.118 1.00 0.00 H new ATOM 982 N GLU A 74 -0.225 -12.057 4.303 1.00 0.00 N ATOM 983 CA GLU A 74 0.052 -12.439 5.719 1.00 0.00 C ATOM 984 C GLU A 74 1.262 -11.664 6.235 1.00 0.00 C ATOM 985 O GLU A 74 1.233 -11.085 7.304 1.00 0.00 O ATOM 986 CB GLU A 74 0.352 -13.944 5.786 1.00 0.00 C ATOM 987 CG GLU A 74 -0.911 -14.756 5.435 1.00 0.00 C ATOM 988 CD GLU A 74 -1.047 -14.895 3.913 1.00 0.00 C ATOM 989 OE1 GLU A 74 -0.266 -14.282 3.206 1.00 0.00 O ATOM 990 OE2 GLU A 74 -1.958 -15.582 3.484 1.00 0.00 O ATOM 0 H GLU A 74 -0.203 -12.832 3.640 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.817 -12.205 6.333 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.157 -14.193 5.094 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.697 -14.209 6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.856 -15.743 5.894 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.794 -14.263 5.843 1.00 0.00 H new ATOM 997 N GLU A 75 2.323 -11.657 5.485 1.00 0.00 N ATOM 998 CA GLU A 75 3.557 -10.938 5.921 1.00 0.00 C ATOM 999 C GLU A 75 3.286 -9.439 6.009 1.00 0.00 C ATOM 1000 O GLU A 75 3.717 -8.774 6.932 1.00 0.00 O ATOM 1001 CB GLU A 75 4.676 -11.187 4.883 1.00 0.00 C ATOM 1002 CG GLU A 75 5.053 -12.679 4.894 1.00 0.00 C ATOM 1003 CD GLU A 75 4.103 -13.472 3.987 1.00 0.00 C ATOM 1004 OE1 GLU A 75 3.139 -12.892 3.518 1.00 0.00 O ATOM 1005 OE2 GLU A 75 4.333 -14.657 3.819 1.00 0.00 O ATOM 0 H GLU A 75 2.393 -12.121 4.580 1.00 0.00 H new ATOM 0 HA GLU A 75 3.861 -11.306 6.901 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.339 -10.892 3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.549 -10.577 5.118 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.081 -12.804 4.554 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.004 -13.067 5.912 1.00 0.00 H new ATOM 1012 N LEU A 76 2.583 -8.905 5.055 1.00 0.00 N ATOM 1013 CA LEU A 76 2.275 -7.445 5.069 1.00 0.00 C ATOM 1014 C LEU A 76 1.340 -7.118 6.234 1.00 0.00 C ATOM 1015 O LEU A 76 1.458 -6.091 6.875 1.00 0.00 O ATOM 1016 CB LEU A 76 1.608 -7.055 3.742 1.00 0.00 C ATOM 1017 CG LEU A 76 1.184 -5.583 3.774 1.00 0.00 C ATOM 1018 CD1 LEU A 76 2.383 -4.693 4.121 1.00 0.00 C ATOM 1019 CD2 LEU A 76 0.640 -5.184 2.400 1.00 0.00 C ATOM 0 H LEU A 76 2.204 -9.418 4.259 1.00 0.00 H new ATOM 0 HA LEU A 76 3.200 -6.882 5.192 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.299 -7.224 2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.738 -7.688 3.564 1.00 0.00 H new ATOM 0 HG LEU A 76 0.413 -5.452 4.533 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.068 -3.650 4.140 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.773 -4.973 5.100 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.162 -4.823 3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.337 -4.137 2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.415 -5.324 1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.221 -5.806 2.155 1.00 0.00 H new ATOM 1031 N ASP A 77 0.402 -7.978 6.499 1.00 0.00 N ATOM 1032 CA ASP A 77 -0.563 -7.729 7.611 1.00 0.00 C ATOM 1033 C ASP A 77 0.193 -7.690 8.941 1.00 0.00 C ATOM 1034 O ASP A 77 -0.165 -6.967 9.852 1.00 0.00 O ATOM 1035 CB ASP A 77 -1.593 -8.861 7.650 1.00 0.00 C ATOM 1036 CG ASP A 77 -2.625 -8.577 8.743 1.00 0.00 C ATOM 1037 OD1 ASP A 77 -2.439 -7.616 9.471 1.00 0.00 O ATOM 1038 OD2 ASP A 77 -3.585 -9.326 8.835 1.00 0.00 O ATOM 0 H ASP A 77 0.258 -8.851 5.991 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.068 -6.777 7.449 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.088 -8.950 6.683 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.096 -9.812 7.843 1.00 0.00 H new ATOM 1043 N LYS A 78 1.231 -8.470 9.061 1.00 0.00 N ATOM 1044 CA LYS A 78 2.017 -8.495 10.334 1.00 0.00 C ATOM 1045 C LYS A 78 2.844 -7.211 10.464 1.00 0.00 C ATOM 1046 O LYS A 78 3.378 -6.911 11.515 1.00 0.00 O ATOM 1047 CB LYS A 78 2.961 -9.706 10.316 1.00 0.00 C ATOM 1048 CG LYS A 78 2.144 -10.997 10.443 1.00 0.00 C ATOM 1049 CD LYS A 78 3.077 -12.210 10.370 1.00 0.00 C ATOM 1050 CE LYS A 78 2.256 -13.497 10.498 1.00 0.00 C ATOM 1051 NZ LYS A 78 3.165 -14.677 10.424 1.00 0.00 N ATOM 0 H LYS A 78 1.573 -9.095 8.331 1.00 0.00 H new ATOM 0 HA LYS A 78 1.333 -8.567 11.180 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.536 -9.717 9.390 1.00 0.00 H new ATOM 0 HB3 LYS A 78 3.676 -9.634 11.135 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.599 -11.002 11.387 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.402 -11.049 9.646 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.622 -12.206 9.426 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.819 -12.159 11.167 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.713 -13.502 11.443 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.512 -13.547 9.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.608 -15.551 10.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 3.664 -14.674 9.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.858 -14.630 11.198 1.00 0.00 H new ATOM 1065 N MET A 79 2.948 -6.449 9.410 1.00 0.00 N ATOM 1066 CA MET A 79 3.733 -5.178 9.471 1.00 0.00 C ATOM 1067 C MET A 79 2.841 -4.055 10.009 1.00 0.00 C ATOM 1068 O MET A 79 3.298 -2.963 10.280 1.00 0.00 O ATOM 1069 CB MET A 79 4.215 -4.816 8.062 1.00 0.00 C ATOM 1070 CG MET A 79 5.261 -5.835 7.601 1.00 0.00 C ATOM 1071 SD MET A 79 5.770 -5.450 5.907 1.00 0.00 S ATOM 1072 CE MET A 79 6.541 -3.849 6.254 1.00 0.00 C ATOM 0 H MET A 79 2.523 -6.650 8.505 1.00 0.00 H new ATOM 0 HA MET A 79 4.591 -5.307 10.130 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.373 -4.805 7.370 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.643 -3.813 8.059 1.00 0.00 H new ATOM 0 HG2 MET A 79 6.124 -5.812 8.266 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.849 -6.843 7.648 1.00 0.00 H new ATOM 0 HE1 MET A 79 7.325 -3.657 5.522 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.789 -3.062 6.195 1.00 0.00 H new ATOM 0 HE3 MET A 79 6.974 -3.863 7.254 1.00 0.00 H new ATOM 1082 N PHE A 80 1.573 -4.320 10.156 1.00 0.00 N ATOM 1083 CA PHE A 80 0.637 -3.272 10.666 1.00 0.00 C ATOM 1084 C PHE A 80 1.014 -2.885 12.088 1.00 0.00 C ATOM 1085 O PHE A 80 1.281 -3.722 12.925 1.00 0.00 O ATOM 1086 CB PHE A 80 -0.800 -3.830 10.646 1.00 0.00 C ATOM 1087 CG PHE A 80 -1.422 -3.588 9.287 1.00 0.00 C ATOM 1088 CD1 PHE A 80 -0.896 -4.220 8.156 1.00 0.00 C ATOM 1089 CD2 PHE A 80 -2.518 -2.725 9.162 1.00 0.00 C ATOM 1090 CE1 PHE A 80 -1.468 -3.991 6.899 1.00 0.00 C ATOM 1091 CE2 PHE A 80 -3.088 -2.496 7.907 1.00 0.00 C ATOM 1092 CZ PHE A 80 -2.563 -3.127 6.775 1.00 0.00 C ATOM 0 H PHE A 80 1.141 -5.219 9.945 1.00 0.00 H new ATOM 0 HA PHE A 80 0.701 -2.388 10.031 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.789 -4.897 10.867 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.398 -3.350 11.421 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -0.050 -4.884 8.252 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.923 -2.236 10.036 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.065 -4.481 6.025 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.934 -1.832 7.811 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.002 -2.948 5.805 1.00 0.00 H new ATOM 1102 N GLN A 81 1.015 -1.610 12.362 1.00 0.00 N ATOM 1103 CA GLN A 81 1.358 -1.125 13.735 1.00 0.00 C ATOM 1104 C GLN A 81 0.103 -0.532 14.369 1.00 0.00 C ATOM 1105 O GLN A 81 -0.025 -0.496 15.576 1.00 0.00 O ATOM 1106 CB GLN A 81 2.434 -0.043 13.639 1.00 0.00 C ATOM 1107 CG GLN A 81 2.944 0.295 15.040 1.00 0.00 C ATOM 1108 CD GLN A 81 3.706 -0.905 15.613 1.00 0.00 C ATOM 1109 OE1 GLN A 81 4.443 -1.565 14.908 1.00 0.00 O ATOM 1110 NE2 GLN A 81 3.548 -1.224 16.868 1.00 0.00 N ATOM 0 H GLN A 81 0.792 -0.875 11.691 1.00 0.00 H new ATOM 0 HA GLN A 81 1.731 -1.952 14.340 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.258 -0.389 13.014 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.026 0.849 13.164 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.596 1.167 15.000 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.108 0.552 15.690 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.929 -0.671 17.461 1.00 0.00 H new ATOM 0 HE22 GLN A 81 4.043 -2.027 17.256 1.00 0.00 H new ATOM 1119 N GLU A 82 -0.826 -0.078 13.564 1.00 0.00 N ATOM 1120 CA GLU A 82 -2.092 0.512 14.112 1.00 0.00 C ATOM 1121 C GLU A 82 -3.290 -0.297 13.601 1.00 0.00 C ATOM 1122 O GLU A 82 -3.235 -0.908 12.551 1.00 0.00 O ATOM 1123 CB GLU A 82 -2.224 1.976 13.648 1.00 0.00 C ATOM 1124 CG GLU A 82 -1.518 2.892 14.649 1.00 0.00 C ATOM 1125 CD GLU A 82 -1.549 4.334 14.140 1.00 0.00 C ATOM 1126 OE1 GLU A 82 -2.533 5.010 14.397 1.00 0.00 O ATOM 1127 OE2 GLU A 82 -0.590 4.737 13.505 1.00 0.00 O ATOM 0 H GLU A 82 -0.764 -0.090 12.546 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.067 0.481 15.201 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.786 2.096 12.657 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.276 2.250 13.567 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.006 2.829 15.621 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.487 2.568 14.789 1.00 0.00 H new ATOM 1134 N PRO A 83 -4.368 -0.290 14.344 1.00 0.00 N ATOM 1135 CA PRO A 83 -5.614 -1.027 13.976 1.00 0.00 C ATOM 1136 C PRO A 83 -6.301 -0.461 12.728 1.00 0.00 C ATOM 1137 O PRO A 83 -5.845 0.489 12.120 1.00 0.00 O ATOM 1138 CB PRO A 83 -6.513 -0.866 15.214 1.00 0.00 C ATOM 1139 CG PRO A 83 -6.017 0.371 15.889 1.00 0.00 C ATOM 1140 CD PRO A 83 -4.518 0.414 15.632 1.00 0.00 C ATOM 0 HA PRO A 83 -5.401 -2.065 13.722 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -7.561 -0.769 14.931 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.439 -1.732 15.872 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.508 1.258 15.488 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -6.229 0.345 16.958 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -4.150 1.438 15.575 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -3.960 -0.081 16.427 1.00 0.00 H new ATOM 1148 N ARG A 84 -7.392 -1.062 12.345 1.00 0.00 N ATOM 1149 CA ARG A 84 -8.131 -0.609 11.132 1.00 0.00 C ATOM 1150 C ARG A 84 -8.664 0.807 11.326 1.00 0.00 C ATOM 1151 O ARG A 84 -9.347 1.113 12.281 1.00 0.00 O ATOM 1152 CB ARG A 84 -9.297 -1.569 10.871 1.00 0.00 C ATOM 1153 CG ARG A 84 -8.749 -2.919 10.407 1.00 0.00 C ATOM 1154 CD ARG A 84 -9.906 -3.899 10.191 1.00 0.00 C ATOM 1155 NE ARG A 84 -9.363 -5.231 9.769 1.00 0.00 N ATOM 1156 CZ ARG A 84 -9.136 -5.490 8.507 1.00 0.00 C ATOM 1157 NH1 ARG A 84 -9.383 -4.596 7.590 1.00 0.00 N ATOM 1158 NH2 ARG A 84 -8.662 -6.657 8.165 1.00 0.00 N ATOM 0 H ARG A 84 -7.809 -1.858 12.827 1.00 0.00 H new ATOM 0 HA ARG A 84 -7.451 -0.607 10.280 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -9.888 -1.696 11.778 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.962 -1.154 10.113 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.187 -2.795 9.481 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.057 -3.316 11.150 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -10.483 -4.004 11.110 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -10.585 -3.514 9.430 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.168 -5.943 10.473 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.757 -3.684 7.854 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -9.202 -4.808 6.609 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.471 -7.359 8.880 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.482 -6.867 7.183 1.00 0.00 H new ATOM 1172 N LYS A 85 -8.346 1.669 10.401 1.00 0.00 N ATOM 1173 CA LYS A 85 -8.809 3.090 10.472 1.00 0.00 C ATOM 1174 C LYS A 85 -9.284 3.552 9.095 1.00 0.00 C ATOM 1175 O LYS A 85 -8.782 3.131 8.071 1.00 0.00 O ATOM 1176 CB LYS A 85 -7.656 3.975 10.924 1.00 0.00 C ATOM 1177 CG LYS A 85 -7.318 3.668 12.386 1.00 0.00 C ATOM 1178 CD LYS A 85 -6.080 4.470 12.808 1.00 0.00 C ATOM 1179 CE LYS A 85 -6.459 5.939 13.035 1.00 0.00 C ATOM 1180 NZ LYS A 85 -5.350 6.634 13.739 1.00 0.00 N ATOM 0 H LYS A 85 -7.776 1.449 9.584 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.633 3.162 11.182 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.783 3.803 10.294 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.926 5.025 10.815 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.163 3.921 13.026 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.132 2.601 12.510 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.658 4.050 13.721 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.311 4.399 12.039 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.659 6.426 12.080 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.374 6.003 13.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.676 6.949 14.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.548 5.981 13.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.048 7.459 13.182 1.00 0.00 H new ATOM 1194 N GLY A 86 -10.254 4.415 9.079 1.00 0.00 N ATOM 1195 CA GLY A 86 -10.805 4.929 7.790 1.00 0.00 C ATOM 1196 C GLY A 86 -9.931 6.057 7.244 1.00 0.00 C ATOM 1197 O GLY A 86 -9.117 6.632 7.940 1.00 0.00 O ATOM 0 H GLY A 86 -10.699 4.795 9.915 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -10.859 4.119 7.063 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -11.822 5.290 7.941 1.00 0.00 H new ATOM 1201 N TYR A 87 -10.113 6.376 5.995 1.00 0.00 N ATOM 1202 CA TYR A 87 -9.325 7.469 5.348 1.00 0.00 C ATOM 1203 C TYR A 87 -9.613 8.793 6.071 1.00 0.00 C ATOM 1204 O TYR A 87 -8.720 9.575 6.362 1.00 0.00 O ATOM 1205 CB TYR A 87 -9.750 7.577 3.875 1.00 0.00 C ATOM 1206 CG TYR A 87 -9.040 8.737 3.214 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -7.659 8.677 2.994 1.00 0.00 C ATOM 1208 CD2 TYR A 87 -9.760 9.873 2.822 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -6.999 9.750 2.381 1.00 0.00 C ATOM 1210 CE2 TYR A 87 -9.101 10.945 2.209 1.00 0.00 C ATOM 1211 CZ TYR A 87 -7.720 10.884 1.990 1.00 0.00 C ATOM 1212 OH TYR A 87 -7.071 11.942 1.387 1.00 0.00 O ATOM 0 H TYR A 87 -10.787 5.919 5.381 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.258 7.253 5.407 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.515 6.650 3.351 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -10.829 7.715 3.809 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -7.102 7.803 3.297 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -10.825 9.922 2.993 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.934 9.702 2.210 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.658 11.819 1.905 1.00 0.00 H new ATOM 0 HH TYR A 87 -7.719 12.647 1.178 1.00 0.00 H new ATOM 1222 N ASP A 88 -10.854 9.043 6.360 1.00 0.00 N ATOM 1223 CA ASP A 88 -11.235 10.301 7.065 1.00 0.00 C ATOM 1224 C ASP A 88 -10.744 10.252 8.517 1.00 0.00 C ATOM 1225 O ASP A 88 -10.442 11.267 9.115 1.00 0.00 O ATOM 1226 CB ASP A 88 -12.761 10.435 7.049 1.00 0.00 C ATOM 1227 CG ASP A 88 -13.157 11.874 7.375 1.00 0.00 C ATOM 1228 OD1 ASP A 88 -12.467 12.774 6.925 1.00 0.00 O ATOM 1229 OD2 ASP A 88 -14.146 12.055 8.068 1.00 0.00 O ATOM 0 H ASP A 88 -11.634 8.424 6.137 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.780 11.154 6.563 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.150 10.154 6.070 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.203 9.753 7.775 1.00 0.00 H new ATOM 1234 N GLU A 89 -10.687 9.081 9.089 1.00 0.00 N ATOM 1235 CA GLU A 89 -10.239 8.953 10.511 1.00 0.00 C ATOM 1236 C GLU A 89 -8.764 9.329 10.634 1.00 0.00 C ATOM 1237 O GLU A 89 -8.369 10.060 11.523 1.00 0.00 O ATOM 1238 CB GLU A 89 -10.424 7.503 10.969 1.00 0.00 C ATOM 1239 CG GLU A 89 -10.046 7.383 12.445 1.00 0.00 C ATOM 1240 CD GLU A 89 -10.336 5.964 12.942 1.00 0.00 C ATOM 1241 OE1 GLU A 89 -10.593 5.107 12.115 1.00 0.00 O ATOM 1242 OE2 GLU A 89 -10.297 5.762 14.145 1.00 0.00 O ATOM 0 H GLU A 89 -10.932 8.202 8.634 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.833 9.623 11.133 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.458 7.193 10.821 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.803 6.839 10.368 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.990 7.616 12.579 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.610 8.107 13.034 1.00 0.00 H new ATOM 1249 N ILE A 90 -7.947 8.836 9.746 1.00 0.00 N ATOM 1250 CA ILE A 90 -6.487 9.155 9.799 1.00 0.00 C ATOM 1251 C ILE A 90 -6.278 10.641 9.521 1.00 0.00 C ATOM 1252 O ILE A 90 -5.402 11.273 10.083 1.00 0.00 O ATOM 1253 CB ILE A 90 -5.734 8.312 8.756 1.00 0.00 C ATOM 1254 CG1 ILE A 90 -6.369 8.491 7.371 1.00 0.00 C ATOM 1255 CG2 ILE A 90 -5.800 6.835 9.158 1.00 0.00 C ATOM 1256 CD1 ILE A 90 -5.473 7.856 6.304 1.00 0.00 C ATOM 0 H ILE A 90 -8.226 8.222 8.981 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.100 8.920 10.790 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.695 8.640 8.715 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.356 8.030 7.351 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.508 9.551 7.159 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.267 6.233 8.421 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.338 6.703 10.137 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.841 6.516 9.202 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.928 7.986 5.322 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.495 8.337 6.317 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.357 6.792 6.512 1.00 0.00 H new ATOM 1268 N LEU A 91 -7.070 11.199 8.653 1.00 0.00 N ATOM 1269 CA LEU A 91 -6.928 12.647 8.320 1.00 0.00 C ATOM 1270 C LEU A 91 -7.210 13.490 9.561 1.00 0.00 C ATOM 1271 O LEU A 91 -6.520 14.451 9.842 1.00 0.00 O ATOM 1272 CB LEU A 91 -7.933 13.001 7.215 1.00 0.00 C ATOM 1273 CG LEU A 91 -7.397 12.538 5.849 1.00 0.00 C ATOM 1274 CD1 LEU A 91 -8.505 12.664 4.789 1.00 0.00 C ATOM 1275 CD2 LEU A 91 -6.178 13.399 5.438 1.00 0.00 C ATOM 0 H LEU A 91 -7.816 10.714 8.155 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.914 12.850 7.977 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.892 12.526 7.419 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.107 14.077 7.201 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.085 11.496 5.923 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.123 12.336 3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.354 12.042 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.825 13.704 4.718 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.806 13.064 4.470 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.478 14.445 5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.391 13.296 6.185 1.00 0.00 H new ATOM 1287 N GLU A 92 -8.219 13.136 10.303 1.00 0.00 N ATOM 1288 CA GLU A 92 -8.557 13.909 11.534 1.00 0.00 C ATOM 1289 C GLU A 92 -7.611 13.491 12.657 1.00 0.00 C ATOM 1290 O GLU A 92 -7.266 14.278 13.518 1.00 0.00 O ATOM 1291 CB GLU A 92 -10.009 13.611 11.932 1.00 0.00 C ATOM 1292 CG GLU A 92 -10.967 14.411 11.039 1.00 0.00 C ATOM 1293 CD GLU A 92 -10.915 13.871 9.609 1.00 0.00 C ATOM 1294 OE1 GLU A 92 -9.938 14.141 8.930 1.00 0.00 O ATOM 1295 OE2 GLU A 92 -11.854 13.201 9.217 1.00 0.00 O ATOM 0 H GLU A 92 -8.829 12.341 10.111 1.00 0.00 H new ATOM 0 HA GLU A 92 -8.449 14.978 11.350 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -10.211 12.544 11.834 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.170 13.871 12.978 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -11.983 14.342 11.427 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.693 15.466 11.049 1.00 0.00 H new