USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1063 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 41 GLN : amide:sc= -3.92 K(o=-6.5,f=-10!) USER MOD Set 1.2: A 72 MET CE :methyl 138:sc= -2.5 (180deg=-3.7!) USER MOD Set 1.3: A 76 MET CE :methyl 147:sc= -0.116 (180deg=-1.86!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0204 F(o=-2.3!,f=-0.02) USER MOD Single : A 13 LYS NZ :NH3+ 142:sc= -0.0264 (180deg=-1.3) USER MOD Single : A 18 GLN : amide:sc= 0.64 K(o=0.64,f=-0.7) USER MOD Single : A 21 LYS NZ :NH3+ 163:sc= -0.0613 (180deg=-0.359) USER MOD Single : A 24 THR OG1 : rot -47:sc= 1.01 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 144:sc= -0.163 (180deg=-0.614) USER MOD Single : A 38 THR OG1 : rot -22:sc= 0.255 USER MOD Single : A 42 ASN : amide:sc= -1.08 K(o=-1.1,f=-4.7!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.102 K(o=-0.1,f=-0.7) USER MOD Single : A 57 ASN : amide:sc= -0.0272 X(o=-0.027,f=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 59 ASN : amide:sc= -6.16! C(o=-6.2!,f=-6.5!) USER MOD Single : A 60 ASN :FLIP amide:sc= -3.58! C(o=-4.6!,f=-3.6!) USER MOD Single : A 62 GLN :FLIP amide:sc= -7.26! C(o=-8!,f=-7.3!) USER MOD Single : A 64 ASN : amide:sc= -4.39! C(o=-4.4!,f=-6.2!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00745 USER MOD Single : A 69 CYS SG : rot 70:sc= 0.846 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -7.31! C(o=-7.3!,f=-13!) USER MOD Single : A 85 MET CE :methyl 163:sc= -3.95! (180deg=-4.72!) USER MOD Single : A 90 LYS NZ :NH3+ 173:sc= -1.38 (180deg=-1.82!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -126:sc= -0.0321 (180deg=-0.738) USER MOD Single : A 111 ASN : amide:sc= -1.56! X(o=-1.6!,f=-1.6) USER MOD Single : A 115 LYS NZ :NH3+ -162:sc= -0.0932 (180deg=-0.385) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 162:sc= -0.0975 (180deg=-0.513) USER MOD Single : A 135 MET CE :methyl -141:sc= -0.379 (180deg=-2.31!) USER MOD Single : A 137 ASN :FLIP amide:sc= 0.307 F(o=-2.8!,f=0.31) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 MET CE :methyl -145:sc= -1.72 (180deg=-2.05!) USER MOD Single : A 146 SER OG : rot -37:sc= 0.766 USER MOD Single : A 147 GLN : amide:sc= -0.48 K(o=-0.48,f=-5.1!) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 12 N GLU A 3 11.390 -14.335 2.448 1.00 0.87 N ATOM 13 CA GLU A 3 11.690 -13.915 3.812 1.00 0.57 C ATOM 14 C GLU A 3 13.105 -13.349 3.903 1.00 0.48 C ATOM 15 O GLU A 3 13.819 -13.279 2.903 1.00 0.55 O ATOM 16 CB GLU A 3 11.547 -15.097 4.776 1.00 0.70 C ATOM 17 CG GLU A 3 10.106 -15.493 5.054 1.00 1.23 C ATOM 18 CD GLU A 3 9.356 -14.441 5.847 1.00 1.78 C ATOM 19 OE1 GLU A 3 8.841 -13.487 5.228 1.00 2.49 O ATOM 20 OE2 GLU A 3 9.284 -14.570 7.087 1.00 2.20 O ATOM 0 HA GLU A 3 10.980 -13.136 4.091 1.00 0.57 H new ATOM 0 HB2 GLU A 3 12.077 -15.956 4.364 1.00 0.70 H new ATOM 0 HB3 GLU A 3 12.033 -14.845 5.719 1.00 0.70 H new ATOM 0 HG2 GLU A 3 9.592 -15.666 4.109 1.00 1.23 H new ATOM 0 HG3 GLU A 3 10.091 -16.435 5.602 1.00 1.23 H new ATOM 27 N LEU A 4 13.502 -12.945 5.108 1.00 0.44 N ATOM 28 CA LEU A 4 14.833 -12.391 5.326 1.00 0.39 C ATOM 29 C LEU A 4 15.831 -13.498 5.667 1.00 0.37 C ATOM 30 O LEU A 4 16.286 -13.608 6.807 1.00 0.45 O ATOM 31 CB LEU A 4 14.808 -11.345 6.449 1.00 0.47 C ATOM 32 CG LEU A 4 13.948 -10.099 6.190 1.00 0.43 C ATOM 33 CD1 LEU A 4 14.176 -9.065 7.278 1.00 1.12 C ATOM 34 CD2 LEU A 4 14.244 -9.507 4.820 1.00 1.25 C ATOM 0 H LEU A 4 12.921 -12.991 5.945 1.00 0.44 H new ATOM 0 HA LEU A 4 15.150 -11.906 4.403 1.00 0.39 H new ATOM 0 HB2 LEU A 4 14.450 -11.826 7.359 1.00 0.47 H new ATOM 0 HB3 LEU A 4 15.831 -11.022 6.641 1.00 0.47 H new ATOM 0 HG LEU A 4 12.900 -10.399 6.208 1.00 0.43 H new ATOM 0 HD11 LEU A 4 13.560 -8.188 7.081 1.00 1.12 H new ATOM 0 HD12 LEU A 4 13.905 -9.489 8.245 1.00 1.12 H new ATOM 0 HD13 LEU A 4 15.227 -8.775 7.290 1.00 1.12 H new ATOM 0 HD21 LEU A 4 13.622 -8.626 4.662 1.00 1.25 H new ATOM 0 HD22 LEU A 4 15.295 -9.223 4.766 1.00 1.25 H new ATOM 0 HD23 LEU A 4 14.028 -10.247 4.049 1.00 1.25 H new ATOM 46 N THR A 5 16.164 -14.317 4.672 1.00 0.35 N ATOM 47 CA THR A 5 17.110 -15.415 4.859 1.00 0.37 C ATOM 48 C THR A 5 18.536 -14.954 4.568 1.00 0.35 C ATOM 49 O THR A 5 18.735 -13.921 3.940 1.00 0.39 O ATOM 50 CB THR A 5 16.762 -16.612 3.948 1.00 0.40 C ATOM 51 OG1 THR A 5 15.381 -16.960 4.106 1.00 0.46 O ATOM 52 CG2 THR A 5 17.628 -17.821 4.270 1.00 0.47 C ATOM 0 H THR A 5 15.792 -14.241 3.725 1.00 0.35 H new ATOM 0 HA THR A 5 17.040 -15.733 5.899 1.00 0.37 H new ATOM 0 HB THR A 5 16.953 -16.316 2.917 1.00 0.40 H new ATOM 0 HG1 THR A 5 15.166 -17.719 3.524 1.00 0.46 H new ATOM 0 HG21 THR A 5 17.359 -18.647 3.612 1.00 0.47 H new ATOM 0 HG22 THR A 5 18.678 -17.566 4.122 1.00 0.47 H new ATOM 0 HG23 THR A 5 17.469 -18.117 5.307 1.00 0.47 H new ATOM 60 N GLU A 6 19.522 -15.718 5.028 1.00 0.36 N ATOM 61 CA GLU A 6 20.930 -15.375 4.816 1.00 0.37 C ATOM 62 C GLU A 6 21.188 -14.875 3.393 1.00 0.33 C ATOM 63 O GLU A 6 21.902 -13.891 3.190 1.00 0.34 O ATOM 64 CB GLU A 6 21.814 -16.589 5.102 1.00 0.45 C ATOM 65 CG GLU A 6 21.407 -17.835 4.332 1.00 0.87 C ATOM 66 CD GLU A 6 22.327 -19.011 4.597 1.00 0.98 C ATOM 67 OE1 GLU A 6 22.134 -19.696 5.623 1.00 1.17 O ATOM 68 OE2 GLU A 6 23.239 -19.246 3.777 1.00 1.20 O ATOM 0 H GLU A 6 19.375 -16.581 5.551 1.00 0.36 H new ATOM 0 HA GLU A 6 21.177 -14.567 5.505 1.00 0.37 H new ATOM 0 HB2 GLU A 6 22.847 -16.342 4.856 1.00 0.45 H new ATOM 0 HB3 GLU A 6 21.784 -16.806 6.170 1.00 0.45 H new ATOM 0 HG2 GLU A 6 20.387 -18.108 4.603 1.00 0.87 H new ATOM 0 HG3 GLU A 6 21.405 -17.614 3.265 1.00 0.87 H new ATOM 75 N GLU A 7 20.595 -15.552 2.415 1.00 0.34 N ATOM 76 CA GLU A 7 20.766 -15.191 1.012 1.00 0.35 C ATOM 77 C GLU A 7 20.044 -13.891 0.681 1.00 0.30 C ATOM 78 O GLU A 7 20.647 -12.948 0.170 1.00 0.30 O ATOM 79 CB GLU A 7 20.260 -16.318 0.108 1.00 0.44 C ATOM 80 CG GLU A 7 18.879 -16.839 0.478 1.00 0.47 C ATOM 81 CD GLU A 7 18.377 -17.890 -0.493 1.00 0.57 C ATOM 82 OE1 GLU A 7 18.685 -19.083 -0.288 1.00 0.61 O ATOM 83 OE2 GLU A 7 17.674 -17.520 -1.458 1.00 0.64 O ATOM 0 H GLU A 7 19.989 -16.358 2.570 1.00 0.34 H new ATOM 0 HA GLU A 7 21.831 -15.040 0.834 1.00 0.35 H new ATOM 0 HB2 GLU A 7 20.238 -15.961 -0.922 1.00 0.44 H new ATOM 0 HB3 GLU A 7 20.970 -17.144 0.144 1.00 0.44 H new ATOM 0 HG2 GLU A 7 18.910 -17.262 1.482 1.00 0.47 H new ATOM 0 HG3 GLU A 7 18.175 -16.007 0.504 1.00 0.47 H new ATOM 90 N GLN A 8 18.749 -13.852 0.973 1.00 0.30 N ATOM 91 CA GLN A 8 17.940 -12.671 0.709 1.00 0.30 C ATOM 92 C GLN A 8 18.540 -11.444 1.381 1.00 0.25 C ATOM 93 O GLN A 8 18.742 -10.414 0.742 1.00 0.24 O ATOM 94 CB GLN A 8 16.511 -12.899 1.204 1.00 0.35 C ATOM 95 CG GLN A 8 15.692 -13.804 0.297 1.00 0.45 C ATOM 96 CD GLN A 8 15.014 -13.052 -0.834 1.00 0.72 C ATOM 97 OE1 GLN A 8 15.635 -11.971 -1.294 1.00 1.32 O flip ATOM 98 NE2 GLN A 8 13.938 -13.439 -1.291 1.00 1.02 N flip ATOM 0 H GLN A 8 18.237 -14.627 1.394 1.00 0.30 H new ATOM 0 HA GLN A 8 17.922 -12.496 -0.367 1.00 0.30 H new ATOM 0 HB2 GLN A 8 16.546 -13.334 2.203 1.00 0.35 H new ATOM 0 HB3 GLN A 8 16.008 -11.936 1.293 1.00 0.35 H new ATOM 0 HG2 GLN A 8 16.341 -14.572 -0.123 1.00 0.45 H new ATOM 0 HG3 GLN A 8 14.935 -14.316 0.891 1.00 0.45 H new ATOM 0 HE21 GLN A 8 13.493 -14.274 -0.910 1.00 1.02 H new ATOM 0 HE22 GLN A 8 13.492 -12.924 -2.050 1.00 1.02 H new ATOM 107 N ILE A 9 18.826 -11.567 2.672 1.00 0.25 N ATOM 108 CA ILE A 9 19.410 -10.475 3.438 1.00 0.26 C ATOM 109 C ILE A 9 20.622 -9.902 2.721 1.00 0.25 C ATOM 110 O ILE A 9 20.715 -8.696 2.509 1.00 0.27 O ATOM 111 CB ILE A 9 19.821 -10.933 4.853 1.00 0.32 C ATOM 112 CG1 ILE A 9 18.582 -11.357 5.647 1.00 0.37 C ATOM 113 CG2 ILE A 9 20.571 -9.821 5.578 1.00 0.34 C ATOM 114 CD1 ILE A 9 18.896 -11.899 7.024 1.00 0.45 C ATOM 0 H ILE A 9 18.662 -12.417 3.211 1.00 0.25 H new ATOM 0 HA ILE A 9 18.646 -9.703 3.531 1.00 0.26 H new ATOM 0 HB ILE A 9 20.489 -11.790 4.765 1.00 0.32 H new ATOM 0 HG12 ILE A 9 17.915 -10.500 5.747 1.00 0.37 H new ATOM 0 HG13 ILE A 9 18.042 -12.117 5.082 1.00 0.37 H new ATOM 0 HG21 ILE A 9 20.853 -10.162 6.574 1.00 0.34 H new ATOM 0 HG22 ILE A 9 21.468 -9.561 5.016 1.00 0.34 H new ATOM 0 HG23 ILE A 9 19.929 -8.944 5.663 1.00 0.34 H new ATOM 0 HD11 ILE A 9 17.969 -12.178 7.525 1.00 0.45 H new ATOM 0 HD12 ILE A 9 19.537 -12.776 6.932 1.00 0.45 H new ATOM 0 HD13 ILE A 9 19.408 -11.134 7.608 1.00 0.45 H new ATOM 126 N ALA A 10 21.539 -10.779 2.339 1.00 0.26 N ATOM 127 CA ALA A 10 22.750 -10.368 1.643 1.00 0.28 C ATOM 128 C ALA A 10 22.444 -9.863 0.233 1.00 0.24 C ATOM 129 O ALA A 10 23.246 -9.142 -0.361 1.00 0.25 O ATOM 130 CB ALA A 10 23.732 -11.530 1.588 1.00 0.36 C ATOM 0 H ALA A 10 21.467 -11.784 2.500 1.00 0.26 H new ATOM 0 HA ALA A 10 23.196 -9.543 2.198 1.00 0.28 H new ATOM 0 HB1 ALA A 10 24.637 -11.218 1.066 1.00 0.36 H new ATOM 0 HB2 ALA A 10 23.986 -11.840 2.602 1.00 0.36 H new ATOM 0 HB3 ALA A 10 23.277 -12.366 1.057 1.00 0.36 H new ATOM 136 N GLU A 11 21.278 -10.231 -0.294 1.00 0.24 N ATOM 137 CA GLU A 11 20.890 -9.827 -1.644 1.00 0.25 C ATOM 138 C GLU A 11 20.554 -8.336 -1.729 1.00 0.22 C ATOM 139 O GLU A 11 21.161 -7.606 -2.515 1.00 0.22 O ATOM 140 CB GLU A 11 19.693 -10.658 -2.118 1.00 0.31 C ATOM 141 CG GLU A 11 19.240 -10.325 -3.531 1.00 0.40 C ATOM 142 CD GLU A 11 18.045 -11.149 -3.970 1.00 1.06 C ATOM 143 OE1 GLU A 11 16.902 -10.740 -3.676 1.00 1.93 O ATOM 144 OE2 GLU A 11 18.252 -12.204 -4.606 1.00 1.02 O ATOM 0 H GLU A 11 20.588 -10.805 0.190 1.00 0.24 H new ATOM 0 HA GLU A 11 21.746 -10.008 -2.294 1.00 0.25 H new ATOM 0 HB2 GLU A 11 19.954 -11.715 -2.069 1.00 0.31 H new ATOM 0 HB3 GLU A 11 18.860 -10.503 -1.433 1.00 0.31 H new ATOM 0 HG2 GLU A 11 18.987 -9.266 -3.587 1.00 0.40 H new ATOM 0 HG3 GLU A 11 20.066 -10.493 -4.222 1.00 0.40 H new ATOM 151 N PHE A 12 19.598 -7.879 -0.922 1.00 0.21 N ATOM 152 CA PHE A 12 19.209 -6.469 -0.944 1.00 0.23 C ATOM 153 C PHE A 12 20.179 -5.618 -0.138 1.00 0.20 C ATOM 154 O PHE A 12 20.306 -4.419 -0.382 1.00 0.22 O ATOM 155 CB PHE A 12 17.778 -6.281 -0.441 1.00 0.29 C ATOM 156 CG PHE A 12 17.528 -6.842 0.923 1.00 0.27 C ATOM 157 CD1 PHE A 12 17.787 -6.084 2.051 1.00 0.32 C ATOM 158 CD2 PHE A 12 17.053 -8.132 1.079 1.00 0.27 C ATOM 159 CE1 PHE A 12 17.573 -6.600 3.309 1.00 0.36 C ATOM 160 CE2 PHE A 12 16.838 -8.652 2.337 1.00 0.28 C ATOM 161 CZ PHE A 12 17.034 -7.875 3.444 1.00 0.33 C ATOM 0 H PHE A 12 19.085 -8.454 -0.254 1.00 0.21 H new ATOM 0 HA PHE A 12 19.248 -6.135 -1.981 1.00 0.23 H new ATOM 0 HB2 PHE A 12 17.545 -5.216 -0.432 1.00 0.29 H new ATOM 0 HB3 PHE A 12 17.092 -6.751 -1.146 1.00 0.29 H new ATOM 0 HD1 PHE A 12 18.161 -5.077 1.943 1.00 0.32 H new ATOM 0 HD2 PHE A 12 16.849 -8.737 0.208 1.00 0.27 H new ATOM 0 HE1 PHE A 12 17.822 -6.019 4.185 1.00 0.36 H new ATOM 0 HE2 PHE A 12 16.514 -9.676 2.448 1.00 0.28 H new ATOM 0 HZ PHE A 12 16.771 -8.250 4.422 1.00 0.33 H new ATOM 171 N LYS A 13 20.856 -6.231 0.828 1.00 0.18 N ATOM 172 CA LYS A 13 21.830 -5.508 1.630 1.00 0.21 C ATOM 173 C LYS A 13 23.011 -5.112 0.752 1.00 0.19 C ATOM 174 O LYS A 13 23.596 -4.041 0.918 1.00 0.24 O ATOM 175 CB LYS A 13 22.291 -6.355 2.819 1.00 0.26 C ATOM 176 CG LYS A 13 23.514 -5.802 3.532 1.00 0.31 C ATOM 177 CD LYS A 13 23.269 -4.392 4.044 1.00 0.40 C ATOM 178 CE LYS A 13 24.446 -3.887 4.857 1.00 0.68 C ATOM 179 NZ LYS A 13 25.702 -3.861 4.058 1.00 1.53 N ATOM 0 H LYS A 13 20.748 -7.216 1.071 1.00 0.18 H new ATOM 0 HA LYS A 13 21.367 -4.606 2.030 1.00 0.21 H new ATOM 0 HB2 LYS A 13 21.472 -6.437 3.534 1.00 0.26 H new ATOM 0 HB3 LYS A 13 22.511 -7.364 2.470 1.00 0.26 H new ATOM 0 HG2 LYS A 13 23.776 -6.453 4.366 1.00 0.31 H new ATOM 0 HG3 LYS A 13 24.364 -5.800 2.850 1.00 0.31 H new ATOM 0 HD2 LYS A 13 23.093 -3.723 3.202 1.00 0.40 H new ATOM 0 HD3 LYS A 13 22.368 -4.377 4.657 1.00 0.40 H new ATOM 0 HE2 LYS A 13 24.229 -2.884 5.225 1.00 0.68 H new ATOM 0 HE3 LYS A 13 24.584 -4.524 5.730 1.00 0.68 H new ATOM 0 HZ1 LYS A 13 26.257 -3.018 4.311 1.00 1.53 H new ATOM 0 HZ2 LYS A 13 26.259 -4.716 4.259 1.00 1.53 H new ATOM 0 HZ3 LYS A 13 25.468 -3.831 3.045 1.00 1.53 H new ATOM 193 N ASP A 14 23.357 -5.991 -0.185 1.00 0.16 N ATOM 194 CA ASP A 14 24.439 -5.718 -1.118 1.00 0.19 C ATOM 195 C ASP A 14 23.990 -4.640 -2.095 1.00 0.18 C ATOM 196 O ASP A 14 24.730 -3.702 -2.399 1.00 0.20 O ATOM 197 CB ASP A 14 24.827 -6.989 -1.877 1.00 0.23 C ATOM 198 CG ASP A 14 26.092 -6.813 -2.693 1.00 0.30 C ATOM 199 OD1 ASP A 14 27.191 -6.895 -2.108 1.00 0.38 O ATOM 200 OD2 ASP A 14 25.982 -6.589 -3.918 1.00 0.39 O ATOM 0 H ASP A 14 22.903 -6.895 -0.316 1.00 0.16 H new ATOM 0 HA ASP A 14 25.313 -5.373 -0.566 1.00 0.19 H new ATOM 0 HB2 ASP A 14 24.967 -7.804 -1.167 1.00 0.23 H new ATOM 0 HB3 ASP A 14 24.009 -7.278 -2.537 1.00 0.23 H new ATOM 205 N ALA A 15 22.761 -4.783 -2.577 1.00 0.17 N ATOM 206 CA ALA A 15 22.181 -3.820 -3.498 1.00 0.19 C ATOM 207 C ALA A 15 21.963 -2.489 -2.791 1.00 0.20 C ATOM 208 O ALA A 15 21.760 -1.457 -3.428 1.00 0.24 O ATOM 209 CB ALA A 15 20.864 -4.348 -4.056 1.00 0.22 C ATOM 0 H ALA A 15 22.146 -5.562 -2.342 1.00 0.17 H new ATOM 0 HA ALA A 15 22.870 -3.667 -4.328 1.00 0.19 H new ATOM 0 HB1 ALA A 15 20.441 -3.616 -4.744 1.00 0.22 H new ATOM 0 HB2 ALA A 15 21.042 -5.284 -4.586 1.00 0.22 H new ATOM 0 HB3 ALA A 15 20.166 -4.522 -3.237 1.00 0.22 H new ATOM 215 N PHE A 16 22.020 -2.528 -1.461 1.00 0.21 N ATOM 216 CA PHE A 16 21.827 -1.338 -0.643 1.00 0.25 C ATOM 217 C PHE A 16 23.089 -0.486 -0.626 1.00 0.23 C ATOM 218 O PHE A 16 23.039 0.718 -0.874 1.00 0.24 O ATOM 219 CB PHE A 16 21.441 -1.746 0.781 1.00 0.31 C ATOM 220 CG PHE A 16 21.364 -0.600 1.750 1.00 0.35 C ATOM 221 CD1 PHE A 16 20.244 0.212 1.796 1.00 0.43 C ATOM 222 CD2 PHE A 16 22.411 -0.343 2.619 1.00 0.41 C ATOM 223 CE1 PHE A 16 20.170 1.262 2.690 1.00 0.52 C ATOM 224 CE2 PHE A 16 22.343 0.704 3.518 1.00 0.50 C ATOM 225 CZ PHE A 16 21.221 1.507 3.553 1.00 0.54 C ATOM 0 H PHE A 16 22.200 -3.378 -0.927 1.00 0.21 H new ATOM 0 HA PHE A 16 21.022 -0.743 -1.074 1.00 0.25 H new ATOM 0 HB2 PHE A 16 20.475 -2.250 0.753 1.00 0.31 H new ATOM 0 HB3 PHE A 16 22.168 -2.470 1.149 1.00 0.31 H new ATOM 0 HD1 PHE A 16 19.419 0.022 1.125 1.00 0.43 H new ATOM 0 HD2 PHE A 16 23.291 -0.968 2.594 1.00 0.41 H new ATOM 0 HE1 PHE A 16 19.292 1.891 2.715 1.00 0.52 H new ATOM 0 HE2 PHE A 16 23.166 0.894 4.192 1.00 0.50 H new ATOM 0 HZ PHE A 16 21.165 2.326 4.254 1.00 0.54 H new ATOM 235 N VAL A 17 24.222 -1.118 -0.339 1.00 0.23 N ATOM 236 CA VAL A 17 25.493 -0.407 -0.293 1.00 0.24 C ATOM 237 C VAL A 17 25.870 0.104 -1.675 1.00 0.23 C ATOM 238 O VAL A 17 26.616 1.074 -1.809 1.00 0.28 O ATOM 239 CB VAL A 17 26.626 -1.293 0.253 1.00 0.28 C ATOM 240 CG1 VAL A 17 26.487 -1.462 1.757 1.00 0.90 C ATOM 241 CG2 VAL A 17 26.638 -2.644 -0.442 1.00 0.76 C ATOM 0 H VAL A 17 24.286 -2.116 -0.136 1.00 0.23 H new ATOM 0 HA VAL A 17 25.363 0.436 0.385 1.00 0.24 H new ATOM 0 HB VAL A 17 27.577 -0.801 0.048 1.00 0.28 H new ATOM 0 HG11 VAL A 17 27.296 -2.091 2.129 1.00 0.90 H new ATOM 0 HG12 VAL A 17 26.536 -0.486 2.239 1.00 0.90 H new ATOM 0 HG13 VAL A 17 25.529 -1.931 1.984 1.00 0.90 H new ATOM 0 HG21 VAL A 17 27.447 -3.253 -0.039 1.00 0.76 H new ATOM 0 HG22 VAL A 17 25.686 -3.148 -0.274 1.00 0.76 H new ATOM 0 HG23 VAL A 17 26.789 -2.501 -1.512 1.00 0.76 H new ATOM 251 N GLN A 18 25.350 -0.560 -2.701 1.00 0.20 N ATOM 252 CA GLN A 18 25.616 -0.169 -4.078 1.00 0.21 C ATOM 253 C GLN A 18 25.100 1.241 -4.354 1.00 0.21 C ATOM 254 O GLN A 18 25.640 1.954 -5.201 1.00 0.26 O ATOM 255 CB GLN A 18 24.964 -1.159 -5.044 1.00 0.24 C ATOM 256 CG GLN A 18 25.711 -2.477 -5.161 1.00 0.29 C ATOM 257 CD GLN A 18 25.052 -3.436 -6.133 1.00 1.04 C ATOM 258 OE1 GLN A 18 24.411 -3.018 -7.097 1.00 1.86 O ATOM 259 NE2 GLN A 18 25.210 -4.730 -5.884 1.00 1.60 N ATOM 0 H GLN A 18 24.741 -1.373 -2.604 1.00 0.20 H new ATOM 0 HA GLN A 18 26.695 -0.178 -4.230 1.00 0.21 H new ATOM 0 HB2 GLN A 18 23.944 -1.357 -4.714 1.00 0.24 H new ATOM 0 HB3 GLN A 18 24.897 -0.700 -6.031 1.00 0.24 H new ATOM 0 HG2 GLN A 18 26.734 -2.283 -5.484 1.00 0.29 H new ATOM 0 HG3 GLN A 18 25.771 -2.945 -4.178 1.00 0.29 H new ATOM 0 HE21 GLN A 18 25.750 -5.031 -5.073 1.00 1.60 H new ATOM 0 HE22 GLN A 18 24.792 -5.423 -6.504 1.00 1.60 H new ATOM 268 N PHE A 19 24.056 1.640 -3.632 1.00 0.22 N ATOM 269 CA PHE A 19 23.466 2.965 -3.804 1.00 0.25 C ATOM 270 C PHE A 19 23.862 3.903 -2.667 1.00 0.23 C ATOM 271 O PHE A 19 23.220 4.930 -2.445 1.00 0.32 O ATOM 272 CB PHE A 19 21.942 2.865 -3.888 1.00 0.29 C ATOM 273 CG PHE A 19 21.453 2.266 -5.175 1.00 0.30 C ATOM 274 CD1 PHE A 19 21.408 3.025 -6.333 1.00 0.64 C ATOM 275 CD2 PHE A 19 21.039 0.946 -5.226 1.00 0.44 C ATOM 276 CE1 PHE A 19 20.960 2.476 -7.520 1.00 0.69 C ATOM 277 CE2 PHE A 19 20.588 0.392 -6.409 1.00 0.46 C ATOM 278 CZ PHE A 19 20.550 1.157 -7.557 1.00 0.42 C ATOM 0 H PHE A 19 23.601 1.065 -2.923 1.00 0.22 H new ATOM 0 HA PHE A 19 23.850 3.378 -4.737 1.00 0.25 H new ATOM 0 HB2 PHE A 19 21.578 2.263 -3.055 1.00 0.29 H new ATOM 0 HB3 PHE A 19 21.513 3.861 -3.773 1.00 0.29 H new ATOM 0 HD1 PHE A 19 21.726 4.057 -6.308 1.00 0.64 H new ATOM 0 HD2 PHE A 19 21.069 0.342 -4.331 1.00 0.44 H new ATOM 0 HE1 PHE A 19 20.931 3.077 -8.417 1.00 0.69 H new ATOM 0 HE2 PHE A 19 20.266 -0.638 -6.435 1.00 0.46 H new ATOM 0 HZ PHE A 19 20.200 0.725 -8.483 1.00 0.42 H new ATOM 288 N ASP A 20 24.919 3.545 -1.945 1.00 0.25 N ATOM 289 CA ASP A 20 25.401 4.366 -0.839 1.00 0.24 C ATOM 290 C ASP A 20 26.254 5.519 -1.360 1.00 0.24 C ATOM 291 O ASP A 20 27.418 5.328 -1.716 1.00 0.29 O ATOM 292 CB ASP A 20 26.214 3.513 0.138 1.00 0.28 C ATOM 293 CG ASP A 20 26.812 4.334 1.262 1.00 0.32 C ATOM 294 OD1 ASP A 20 26.087 4.624 2.235 1.00 0.37 O ATOM 295 OD2 ASP A 20 28.008 4.684 1.170 1.00 0.37 O ATOM 0 H ASP A 20 25.457 2.694 -2.105 1.00 0.25 H new ATOM 0 HA ASP A 20 24.539 4.779 -0.316 1.00 0.24 H new ATOM 0 HB2 ASP A 20 25.574 2.738 0.559 1.00 0.28 H new ATOM 0 HB3 ASP A 20 27.013 3.007 -0.404 1.00 0.28 H new ATOM 300 N LYS A 21 25.674 6.717 -1.401 1.00 0.24 N ATOM 301 CA LYS A 21 26.389 7.892 -1.893 1.00 0.30 C ATOM 302 C LYS A 21 26.974 8.717 -0.750 1.00 0.29 C ATOM 303 O LYS A 21 28.182 8.945 -0.696 1.00 0.33 O ATOM 304 CB LYS A 21 25.460 8.765 -2.741 1.00 0.36 C ATOM 305 CG LYS A 21 25.318 8.294 -4.183 1.00 0.90 C ATOM 306 CD LYS A 21 24.679 6.916 -4.268 1.00 1.04 C ATOM 307 CE LYS A 21 24.600 6.426 -5.704 1.00 1.70 C ATOM 308 NZ LYS A 21 25.942 6.361 -6.346 1.00 2.47 N ATOM 0 H LYS A 21 24.716 6.899 -1.101 1.00 0.24 H new ATOM 0 HA LYS A 21 27.215 7.537 -2.509 1.00 0.30 H new ATOM 0 HB2 LYS A 21 24.474 8.787 -2.277 1.00 0.36 H new ATOM 0 HB3 LYS A 21 25.836 9.788 -2.738 1.00 0.36 H new ATOM 0 HG2 LYS A 21 24.714 9.010 -4.741 1.00 0.90 H new ATOM 0 HG3 LYS A 21 26.300 8.269 -4.655 1.00 0.90 H new ATOM 0 HD2 LYS A 21 25.256 6.209 -3.672 1.00 1.04 H new ATOM 0 HD3 LYS A 21 23.678 6.951 -3.839 1.00 1.04 H new ATOM 0 HE2 LYS A 21 24.140 5.438 -5.725 1.00 1.70 H new ATOM 0 HE3 LYS A 21 23.955 7.091 -6.279 1.00 1.70 H new ATOM 0 HZ1 LYS A 21 25.891 5.766 -7.197 1.00 2.47 H new ATOM 0 HZ2 LYS A 21 26.247 7.319 -6.611 1.00 2.47 H new ATOM 0 HZ3 LYS A 21 26.627 5.952 -5.678 1.00 2.47 H new ATOM 322 N GLU A 22 26.112 9.164 0.159 1.00 0.27 N ATOM 323 CA GLU A 22 26.547 9.974 1.295 1.00 0.29 C ATOM 324 C GLU A 22 27.647 9.273 2.089 1.00 0.31 C ATOM 325 O GLU A 22 28.652 9.887 2.445 1.00 0.41 O ATOM 326 CB GLU A 22 25.362 10.292 2.207 1.00 0.31 C ATOM 327 CG GLU A 22 24.281 11.121 1.532 1.00 0.35 C ATOM 328 CD GLU A 22 24.790 12.466 1.054 1.00 0.51 C ATOM 329 OE1 GLU A 22 24.726 13.438 1.837 1.00 0.93 O ATOM 330 OE2 GLU A 22 25.250 12.549 -0.104 1.00 0.44 O ATOM 0 H GLU A 22 25.109 8.980 0.132 1.00 0.27 H new ATOM 0 HA GLU A 22 26.955 10.906 0.903 1.00 0.29 H new ATOM 0 HB2 GLU A 22 24.925 9.358 2.560 1.00 0.31 H new ATOM 0 HB3 GLU A 22 25.723 10.827 3.085 1.00 0.31 H new ATOM 0 HG2 GLU A 22 23.880 10.566 0.684 1.00 0.35 H new ATOM 0 HG3 GLU A 22 23.458 11.275 2.230 1.00 0.35 H new ATOM 337 N GLY A 23 27.448 7.988 2.363 1.00 0.31 N ATOM 338 CA GLY A 23 28.439 7.228 3.108 1.00 0.34 C ATOM 339 C GLY A 23 28.075 7.069 4.572 1.00 0.34 C ATOM 340 O GLY A 23 28.815 6.452 5.338 1.00 0.39 O ATOM 0 H GLY A 23 26.622 7.459 2.084 1.00 0.31 H new ATOM 0 HA2 GLY A 23 28.550 6.242 2.656 1.00 0.34 H new ATOM 0 HA3 GLY A 23 29.406 7.725 3.030 1.00 0.34 H new ATOM 344 N THR A 24 26.931 7.624 4.959 1.00 0.34 N ATOM 345 CA THR A 24 26.469 7.542 6.340 1.00 0.38 C ATOM 346 C THR A 24 25.750 6.220 6.602 1.00 0.36 C ATOM 347 O THR A 24 24.805 6.161 7.390 1.00 0.40 O ATOM 348 CB THR A 24 25.519 8.711 6.675 1.00 0.41 C ATOM 349 OG1 THR A 24 25.154 8.667 8.059 1.00 1.23 O ATOM 350 CG2 THR A 24 24.265 8.657 5.814 1.00 1.39 C ATOM 0 H THR A 24 26.307 8.136 4.335 1.00 0.34 H new ATOM 0 HA THR A 24 27.350 7.601 6.979 1.00 0.38 H new ATOM 0 HB THR A 24 26.043 9.644 6.467 1.00 0.41 H new ATOM 0 HG1 THR A 24 24.885 7.755 8.298 1.00 1.23 H new ATOM 0 HG21 THR A 24 23.612 9.491 6.070 1.00 1.39 H new ATOM 0 HG22 THR A 24 24.543 8.723 4.762 1.00 1.39 H new ATOM 0 HG23 THR A 24 23.741 7.718 5.993 1.00 1.39 H new ATOM 358 N GLY A 25 26.209 5.156 5.945 1.00 0.34 N ATOM 359 CA GLY A 25 25.582 3.857 6.114 1.00 0.37 C ATOM 360 C GLY A 25 24.132 3.881 5.677 1.00 0.31 C ATOM 361 O GLY A 25 23.358 2.977 5.993 1.00 0.36 O ATOM 0 H GLY A 25 27.000 5.171 5.302 1.00 0.34 H new ATOM 0 HA2 GLY A 25 26.126 3.111 5.534 1.00 0.37 H new ATOM 0 HA3 GLY A 25 25.643 3.555 7.160 1.00 0.37 H new ATOM 365 N LYS A 26 23.773 4.931 4.946 1.00 0.27 N ATOM 366 CA LYS A 26 22.417 5.110 4.454 1.00 0.23 C ATOM 367 C LYS A 26 22.427 5.501 2.982 1.00 0.21 C ATOM 368 O LYS A 26 23.419 6.031 2.482 1.00 0.24 O ATOM 369 CB LYS A 26 21.705 6.182 5.279 1.00 0.25 C ATOM 370 CG LYS A 26 21.474 5.767 6.723 1.00 0.29 C ATOM 371 CD LYS A 26 21.127 6.954 7.608 1.00 0.51 C ATOM 372 CE LYS A 26 19.819 7.602 7.189 1.00 0.89 C ATOM 373 NZ LYS A 26 19.430 8.710 8.105 1.00 1.58 N ATOM 0 H LYS A 26 24.414 5.679 4.680 1.00 0.27 H new ATOM 0 HA LYS A 26 21.881 4.166 4.554 1.00 0.23 H new ATOM 0 HB2 LYS A 26 22.295 7.098 5.260 1.00 0.25 H new ATOM 0 HB3 LYS A 26 20.746 6.412 4.815 1.00 0.25 H new ATOM 0 HG2 LYS A 26 20.667 5.035 6.765 1.00 0.29 H new ATOM 0 HG3 LYS A 26 22.369 5.278 7.107 1.00 0.29 H new ATOM 0 HD2 LYS A 26 21.055 6.626 8.645 1.00 0.51 H new ATOM 0 HD3 LYS A 26 21.930 7.690 7.561 1.00 0.51 H new ATOM 0 HE2 LYS A 26 19.913 7.987 6.173 1.00 0.89 H new ATOM 0 HE3 LYS A 26 19.030 6.850 7.173 1.00 0.89 H new ATOM 0 HZ1 LYS A 26 18.532 9.126 7.785 1.00 1.58 H new ATOM 0 HZ2 LYS A 26 19.315 8.339 9.070 1.00 1.58 H new ATOM 0 HZ3 LYS A 26 20.171 9.440 8.101 1.00 1.58 H new ATOM 387 N ILE A 27 21.328 5.226 2.288 1.00 0.19 N ATOM 388 CA ILE A 27 21.230 5.554 0.869 1.00 0.20 C ATOM 389 C ILE A 27 20.126 6.569 0.609 1.00 0.19 C ATOM 390 O ILE A 27 19.181 6.687 1.390 1.00 0.23 O ATOM 391 CB ILE A 27 20.984 4.305 0.003 1.00 0.23 C ATOM 392 CG1 ILE A 27 19.538 3.825 0.133 1.00 0.26 C ATOM 393 CG2 ILE A 27 21.949 3.199 0.395 1.00 0.25 C ATOM 394 CD1 ILE A 27 18.909 3.472 -1.194 1.00 0.54 C ATOM 0 H ILE A 27 20.498 4.780 2.680 1.00 0.19 H new ATOM 0 HA ILE A 27 22.190 5.987 0.589 1.00 0.20 H new ATOM 0 HB ILE A 27 21.158 4.571 -1.040 1.00 0.23 H new ATOM 0 HG12 ILE A 27 19.508 2.953 0.786 1.00 0.26 H new ATOM 0 HG13 ILE A 27 18.945 4.603 0.614 1.00 0.26 H new ATOM 0 HG21 ILE A 27 21.766 2.320 -0.224 1.00 0.25 H new ATOM 0 HG22 ILE A 27 22.973 3.540 0.247 1.00 0.25 H new ATOM 0 HG23 ILE A 27 21.801 2.941 1.444 1.00 0.25 H new ATOM 0 HD11 ILE A 27 17.884 3.139 -1.033 1.00 0.54 H new ATOM 0 HD12 ILE A 27 18.908 4.349 -1.841 1.00 0.54 H new ATOM 0 HD13 ILE A 27 19.480 2.673 -1.666 1.00 0.54 H new ATOM 406 N ALA A 28 20.254 7.300 -0.492 1.00 0.23 N ATOM 407 CA ALA A 28 19.275 8.313 -0.856 1.00 0.25 C ATOM 408 C ALA A 28 17.905 7.687 -1.144 1.00 0.25 C ATOM 409 O ALA A 28 17.804 6.704 -1.878 1.00 0.28 O ATOM 410 CB ALA A 28 19.765 9.104 -2.058 1.00 0.31 C ATOM 0 H ALA A 28 21.029 7.208 -1.149 1.00 0.23 H new ATOM 0 HA ALA A 28 19.157 8.991 -0.011 1.00 0.25 H new ATOM 0 HB1 ALA A 28 19.025 9.860 -2.323 1.00 0.31 H new ATOM 0 HB2 ALA A 28 20.709 9.591 -1.813 1.00 0.31 H new ATOM 0 HB3 ALA A 28 19.913 8.430 -2.902 1.00 0.31 H new ATOM 416 N THR A 29 16.857 8.270 -0.560 1.00 0.28 N ATOM 417 CA THR A 29 15.487 7.790 -0.738 1.00 0.31 C ATOM 418 C THR A 29 15.048 7.889 -2.193 1.00 0.32 C ATOM 419 O THR A 29 14.253 7.078 -2.667 1.00 0.34 O ATOM 420 CB THR A 29 14.500 8.600 0.124 1.00 0.39 C ATOM 421 OG1 THR A 29 14.371 9.929 -0.397 1.00 0.40 O ATOM 422 CG2 THR A 29 14.970 8.668 1.568 1.00 0.43 C ATOM 0 H THR A 29 16.934 9.086 0.048 1.00 0.28 H new ATOM 0 HA THR A 29 15.478 6.746 -0.426 1.00 0.31 H new ATOM 0 HB THR A 29 13.533 8.098 0.094 1.00 0.39 H new ATOM 0 HG1 THR A 29 13.741 10.437 0.155 1.00 0.40 H new ATOM 0 HG21 THR A 29 14.256 9.245 2.156 1.00 0.43 H new ATOM 0 HG22 THR A 29 15.044 7.659 1.975 1.00 0.43 H new ATOM 0 HG23 THR A 29 15.947 9.148 1.610 1.00 0.43 H new ATOM 430 N ARG A 30 15.563 8.895 -2.893 1.00 0.35 N ATOM 431 CA ARG A 30 15.222 9.104 -4.294 1.00 0.40 C ATOM 432 C ARG A 30 15.720 7.946 -5.155 1.00 0.40 C ATOM 433 O ARG A 30 15.346 7.822 -6.321 1.00 0.52 O ATOM 434 CB ARG A 30 15.814 10.424 -4.791 1.00 0.46 C ATOM 435 CG ARG A 30 15.265 11.648 -4.072 1.00 0.50 C ATOM 436 CD ARG A 30 15.973 12.917 -4.520 1.00 0.73 C ATOM 437 NE ARG A 30 15.705 13.230 -5.921 1.00 1.71 N ATOM 438 CZ ARG A 30 16.646 13.594 -6.789 1.00 2.26 C ATOM 439 NH1 ARG A 30 17.914 13.672 -6.407 1.00 2.04 N ATOM 440 NH2 ARG A 30 16.318 13.877 -8.043 1.00 3.39 N ATOM 0 H ARG A 30 16.218 9.578 -2.512 1.00 0.35 H new ATOM 0 HA ARG A 30 14.136 9.149 -4.377 1.00 0.40 H new ATOM 0 HB2 ARG A 30 16.897 10.396 -4.668 1.00 0.46 H new ATOM 0 HB3 ARG A 30 15.617 10.522 -5.859 1.00 0.46 H new ATOM 0 HG2 ARG A 30 14.196 11.738 -4.267 1.00 0.50 H new ATOM 0 HG3 ARG A 30 15.384 11.524 -2.996 1.00 0.50 H new ATOM 0 HD2 ARG A 30 15.652 13.750 -3.895 1.00 0.73 H new ATOM 0 HD3 ARG A 30 17.047 12.803 -4.373 1.00 0.73 H new ATOM 0 HE ARG A 30 14.743 13.166 -6.253 1.00 1.71 H new ATOM 0 HH11 ARG A 30 18.171 13.453 -5.445 1.00 2.04 H new ATOM 0 HH12 ARG A 30 18.632 13.951 -7.076 1.00 2.04 H new ATOM 0 HH21 ARG A 30 15.345 13.816 -8.342 1.00 3.39 H new ATOM 0 HH22 ARG A 30 17.039 14.156 -8.708 1.00 3.39 H new ATOM 454 N GLU A 31 16.566 7.103 -4.571 1.00 0.33 N ATOM 455 CA GLU A 31 17.113 5.953 -5.281 1.00 0.36 C ATOM 456 C GLU A 31 16.437 4.667 -4.823 1.00 0.31 C ATOM 457 O GLU A 31 16.589 3.618 -5.451 1.00 0.33 O ATOM 458 CB GLU A 31 18.615 5.845 -5.053 1.00 0.42 C ATOM 459 CG GLU A 31 19.312 7.186 -4.904 1.00 0.52 C ATOM 460 CD GLU A 31 19.165 8.061 -6.134 1.00 1.10 C ATOM 461 OE1 GLU A 31 19.918 7.851 -7.107 1.00 1.12 O ATOM 462 OE2 GLU A 31 18.296 8.958 -6.123 1.00 2.01 O ATOM 0 H GLU A 31 16.887 7.195 -3.607 1.00 0.33 H new ATOM 0 HA GLU A 31 16.923 6.096 -6.345 1.00 0.36 H new ATOM 0 HB2 GLU A 31 18.795 5.251 -4.157 1.00 0.42 H new ATOM 0 HB3 GLU A 31 19.062 5.305 -5.888 1.00 0.42 H new ATOM 0 HG2 GLU A 31 18.903 7.709 -4.040 1.00 0.52 H new ATOM 0 HG3 GLU A 31 20.371 7.021 -4.705 1.00 0.52 H new ATOM 469 N LEU A 32 15.697 4.756 -3.720 1.00 0.31 N ATOM 470 CA LEU A 32 14.998 3.599 -3.173 1.00 0.33 C ATOM 471 C LEU A 32 14.164 2.914 -4.250 1.00 0.29 C ATOM 472 O LEU A 32 14.085 1.687 -4.296 1.00 0.29 O ATOM 473 CB LEU A 32 14.106 4.018 -2.002 1.00 0.40 C ATOM 474 CG LEU A 32 13.393 2.869 -1.283 1.00 0.57 C ATOM 475 CD1 LEU A 32 14.403 1.906 -0.677 1.00 1.39 C ATOM 476 CD2 LEU A 32 12.461 3.409 -0.209 1.00 1.39 C ATOM 0 H LEU A 32 15.567 5.617 -3.189 1.00 0.31 H new ATOM 0 HA LEU A 32 15.743 2.891 -2.811 1.00 0.33 H new ATOM 0 HB2 LEU A 32 14.715 4.557 -1.277 1.00 0.40 H new ATOM 0 HB3 LEU A 32 13.355 4.717 -2.370 1.00 0.40 H new ATOM 0 HG LEU A 32 12.797 2.324 -2.015 1.00 0.57 H new ATOM 0 HD11 LEU A 32 13.876 1.097 -0.171 1.00 1.39 H new ATOM 0 HD12 LEU A 32 15.030 1.492 -1.467 1.00 1.39 H new ATOM 0 HD13 LEU A 32 15.027 2.438 0.041 1.00 1.39 H new ATOM 0 HD21 LEU A 32 11.963 2.579 0.291 1.00 1.39 H new ATOM 0 HD22 LEU A 32 13.037 3.979 0.520 1.00 1.39 H new ATOM 0 HD23 LEU A 32 11.714 4.057 -0.668 1.00 1.39 H new ATOM 488 N GLY A 33 13.546 3.714 -5.114 1.00 0.33 N ATOM 489 CA GLY A 33 12.737 3.163 -6.185 1.00 0.35 C ATOM 490 C GLY A 33 13.548 2.271 -7.102 1.00 0.33 C ATOM 491 O GLY A 33 13.105 1.183 -7.476 1.00 0.41 O ATOM 0 H GLY A 33 13.591 4.733 -5.091 1.00 0.33 H new ATOM 0 HA2 GLY A 33 11.911 2.592 -5.760 1.00 0.35 H new ATOM 0 HA3 GLY A 33 12.298 3.976 -6.764 1.00 0.35 H new ATOM 495 N THR A 34 14.744 2.732 -7.462 1.00 0.30 N ATOM 496 CA THR A 34 15.629 1.967 -8.331 1.00 0.31 C ATOM 497 C THR A 34 15.953 0.619 -7.697 1.00 0.27 C ATOM 498 O THR A 34 16.179 -0.372 -8.392 1.00 0.30 O ATOM 499 CB THR A 34 16.940 2.728 -8.609 1.00 0.37 C ATOM 500 OG1 THR A 34 16.648 4.042 -9.102 1.00 0.42 O ATOM 501 CG2 THR A 34 17.799 1.984 -9.624 1.00 0.41 C ATOM 0 H THR A 34 15.121 3.632 -7.164 1.00 0.30 H new ATOM 0 HA THR A 34 15.110 1.814 -9.277 1.00 0.31 H new ATOM 0 HB THR A 34 17.494 2.802 -7.673 1.00 0.37 H new ATOM 0 HG1 THR A 34 17.486 4.520 -9.275 1.00 0.42 H new ATOM 0 HG21 THR A 34 18.718 2.543 -9.802 1.00 0.41 H new ATOM 0 HG22 THR A 34 18.045 0.995 -9.237 1.00 0.41 H new ATOM 0 HG23 THR A 34 17.250 1.881 -10.560 1.00 0.41 H new ATOM 509 N LEU A 35 15.968 0.596 -6.367 1.00 0.27 N ATOM 510 CA LEU A 35 16.248 -0.621 -5.621 1.00 0.30 C ATOM 511 C LEU A 35 15.065 -1.577 -5.702 1.00 0.31 C ATOM 512 O LEU A 35 15.238 -2.789 -5.829 1.00 0.37 O ATOM 513 CB LEU A 35 16.548 -0.279 -4.161 1.00 0.35 C ATOM 514 CG LEU A 35 18.027 -0.303 -3.776 1.00 0.50 C ATOM 515 CD1 LEU A 35 18.217 0.221 -2.361 1.00 1.23 C ATOM 516 CD2 LEU A 35 18.588 -1.711 -3.902 1.00 1.25 C ATOM 0 H LEU A 35 15.788 1.413 -5.784 1.00 0.27 H new ATOM 0 HA LEU A 35 17.119 -1.108 -6.059 1.00 0.30 H new ATOM 0 HB2 LEU A 35 16.150 0.713 -3.948 1.00 0.35 H new ATOM 0 HB3 LEU A 35 16.012 -0.981 -3.523 1.00 0.35 H new ATOM 0 HG LEU A 35 18.572 0.347 -4.461 1.00 0.50 H new ATOM 0 HD11 LEU A 35 19.276 0.197 -2.103 1.00 1.23 H new ATOM 0 HD12 LEU A 35 17.852 1.246 -2.301 1.00 1.23 H new ATOM 0 HD13 LEU A 35 17.659 -0.404 -1.664 1.00 1.23 H new ATOM 0 HD21 LEU A 35 19.642 -1.709 -3.624 1.00 1.25 H new ATOM 0 HD22 LEU A 35 18.040 -2.382 -3.241 1.00 1.25 H new ATOM 0 HD23 LEU A 35 18.485 -2.053 -4.932 1.00 1.25 H new ATOM 528 N MET A 36 13.861 -1.018 -5.626 1.00 0.35 N ATOM 529 CA MET A 36 12.639 -1.808 -5.695 1.00 0.43 C ATOM 530 C MET A 36 12.530 -2.518 -7.039 1.00 0.43 C ATOM 531 O MET A 36 11.927 -3.584 -7.144 1.00 0.54 O ATOM 532 CB MET A 36 11.420 -0.910 -5.491 1.00 0.56 C ATOM 533 CG MET A 36 11.414 -0.189 -4.156 1.00 0.59 C ATOM 534 SD MET A 36 11.290 -1.323 -2.762 1.00 1.21 S ATOM 535 CE MET A 36 11.150 -0.166 -1.406 1.00 0.72 C ATOM 0 H MET A 36 13.707 -0.016 -5.516 1.00 0.35 H new ATOM 0 HA MET A 36 12.674 -2.557 -4.904 1.00 0.43 H new ATOM 0 HB2 MET A 36 11.384 -0.173 -6.293 1.00 0.56 H new ATOM 0 HB3 MET A 36 10.516 -1.514 -5.572 1.00 0.56 H new ATOM 0 HG2 MET A 36 12.326 0.401 -4.061 1.00 0.59 H new ATOM 0 HG3 MET A 36 10.578 0.510 -4.128 1.00 0.59 H new ATOM 0 HE1 MET A 36 10.474 -0.569 -0.652 1.00 0.72 H new ATOM 0 HE2 MET A 36 12.133 -0.004 -0.963 1.00 0.72 H new ATOM 0 HE3 MET A 36 10.757 0.781 -1.775 1.00 0.72 H new ATOM 545 N ARG A 37 13.114 -1.911 -8.065 1.00 0.42 N ATOM 546 CA ARG A 37 13.084 -2.478 -9.411 1.00 0.47 C ATOM 547 C ARG A 37 14.065 -3.641 -9.545 1.00 0.43 C ATOM 548 O ARG A 37 13.696 -4.726 -9.992 1.00 0.47 O ATOM 549 CB ARG A 37 13.409 -1.403 -10.448 1.00 0.55 C ATOM 550 CG ARG A 37 12.452 -0.223 -10.420 1.00 0.95 C ATOM 551 CD ARG A 37 12.786 0.793 -11.500 1.00 1.20 C ATOM 552 NE ARG A 37 11.925 1.971 -11.426 1.00 1.99 N ATOM 553 CZ ARG A 37 11.678 2.773 -12.459 1.00 2.52 C ATOM 554 NH1 ARG A 37 12.218 2.521 -13.644 1.00 2.46 N ATOM 555 NH2 ARG A 37 10.889 3.827 -12.306 1.00 3.51 N ATOM 0 H ARG A 37 13.615 -1.025 -7.992 1.00 0.42 H new ATOM 0 HA ARG A 37 12.078 -2.857 -9.589 1.00 0.47 H new ATOM 0 HB2 ARG A 37 14.423 -1.042 -10.279 1.00 0.55 H new ATOM 0 HB3 ARG A 37 13.392 -1.851 -11.442 1.00 0.55 H new ATOM 0 HG2 ARG A 37 11.431 -0.579 -10.557 1.00 0.95 H new ATOM 0 HG3 ARG A 37 12.494 0.257 -9.442 1.00 0.95 H new ATOM 0 HD2 ARG A 37 13.828 1.098 -11.401 1.00 1.20 H new ATOM 0 HD3 ARG A 37 12.681 0.328 -12.480 1.00 1.20 H new ATOM 0 HE ARG A 37 11.488 2.191 -10.531 1.00 1.99 H new ATOM 0 HH11 ARG A 37 12.825 1.710 -13.766 1.00 2.46 H new ATOM 0 HH12 ARG A 37 12.026 3.138 -14.433 1.00 2.46 H new ATOM 0 HH21 ARG A 37 10.471 4.023 -11.397 1.00 3.51 H new ATOM 0 HH22 ARG A 37 10.700 4.442 -13.098 1.00 3.51 H new ATOM 569 N THR A 38 15.314 -3.405 -9.158 1.00 0.39 N ATOM 570 CA THR A 38 16.348 -4.433 -9.243 1.00 0.39 C ATOM 571 C THR A 38 16.091 -5.566 -8.254 1.00 0.36 C ATOM 572 O THR A 38 16.687 -6.639 -8.358 1.00 0.39 O ATOM 573 CB THR A 38 17.748 -3.845 -8.985 1.00 0.40 C ATOM 574 OG1 THR A 38 18.733 -4.885 -9.039 1.00 0.46 O ATOM 575 CG2 THR A 38 17.807 -3.155 -7.631 1.00 0.32 C ATOM 0 H THR A 38 15.636 -2.513 -8.783 1.00 0.39 H new ATOM 0 HA THR A 38 16.310 -4.831 -10.257 1.00 0.39 H new ATOM 0 HB THR A 38 17.955 -3.106 -9.759 1.00 0.40 H new ATOM 0 HG1 THR A 38 18.304 -5.750 -8.872 1.00 0.46 H new ATOM 0 HG21 THR A 38 18.806 -2.748 -7.473 1.00 0.32 H new ATOM 0 HG22 THR A 38 17.077 -2.346 -7.603 1.00 0.32 H new ATOM 0 HG23 THR A 38 17.580 -3.876 -6.845 1.00 0.32 H new ATOM 583 N LEU A 39 15.201 -5.323 -7.298 1.00 0.33 N ATOM 584 CA LEU A 39 14.864 -6.323 -6.290 1.00 0.34 C ATOM 585 C LEU A 39 13.411 -6.770 -6.430 1.00 0.40 C ATOM 586 O LEU A 39 12.580 -6.050 -6.984 1.00 0.43 O ATOM 587 CB LEU A 39 15.123 -5.773 -4.889 1.00 0.32 C ATOM 588 CG LEU A 39 16.572 -5.367 -4.613 1.00 0.44 C ATOM 589 CD1 LEU A 39 16.680 -4.641 -3.287 1.00 1.05 C ATOM 590 CD2 LEU A 39 17.488 -6.581 -4.621 1.00 1.15 C ATOM 0 H LEU A 39 14.699 -4.441 -7.199 1.00 0.33 H new ATOM 0 HA LEU A 39 15.501 -7.193 -6.446 1.00 0.34 H new ATOM 0 HB2 LEU A 39 14.482 -4.906 -4.731 1.00 0.32 H new ATOM 0 HB3 LEU A 39 14.827 -6.526 -4.159 1.00 0.32 H new ATOM 0 HG LEU A 39 16.888 -4.692 -5.409 1.00 0.44 H new ATOM 0 HD11 LEU A 39 17.718 -4.361 -3.109 1.00 1.05 H new ATOM 0 HD12 LEU A 39 16.061 -3.744 -3.312 1.00 1.05 H new ATOM 0 HD13 LEU A 39 16.338 -5.295 -2.485 1.00 1.05 H new ATOM 0 HD21 LEU A 39 18.512 -6.265 -4.422 1.00 1.15 H new ATOM 0 HD22 LEU A 39 17.169 -7.283 -3.851 1.00 1.15 H new ATOM 0 HD23 LEU A 39 17.441 -7.066 -5.596 1.00 1.15 H new ATOM 602 N GLY A 40 13.119 -7.968 -5.934 1.00 0.45 N ATOM 603 CA GLY A 40 11.777 -8.526 -6.024 1.00 0.52 C ATOM 604 C GLY A 40 10.684 -7.632 -5.454 1.00 0.49 C ATOM 605 O GLY A 40 9.500 -7.939 -5.603 1.00 0.64 O ATOM 0 H GLY A 40 13.795 -8.571 -5.465 1.00 0.45 H new ATOM 0 HA2 GLY A 40 11.552 -8.732 -7.070 1.00 0.52 H new ATOM 0 HA3 GLY A 40 11.758 -9.481 -5.500 1.00 0.52 H new ATOM 609 N GLN A 41 11.060 -6.536 -4.801 1.00 0.46 N ATOM 610 CA GLN A 41 10.073 -5.626 -4.224 1.00 0.44 C ATOM 611 C GLN A 41 9.297 -4.896 -5.313 1.00 0.48 C ATOM 612 O GLN A 41 9.651 -4.959 -6.491 1.00 1.01 O ATOM 613 CB GLN A 41 10.739 -4.603 -3.303 1.00 0.48 C ATOM 614 CG GLN A 41 11.382 -5.212 -2.071 1.00 0.54 C ATOM 615 CD GLN A 41 12.731 -5.831 -2.371 1.00 1.55 C ATOM 616 OE1 GLN A 41 13.761 -5.164 -2.294 1.00 2.37 O ATOM 617 NE2 GLN A 41 12.731 -7.114 -2.711 1.00 2.20 N ATOM 0 H GLN A 41 12.031 -6.257 -4.658 1.00 0.46 H new ATOM 0 HA GLN A 41 9.380 -6.231 -3.640 1.00 0.44 H new ATOM 0 HB2 GLN A 41 11.498 -4.061 -3.867 1.00 0.48 H new ATOM 0 HB3 GLN A 41 9.994 -3.872 -2.988 1.00 0.48 H new ATOM 0 HG2 GLN A 41 11.500 -4.443 -1.308 1.00 0.54 H new ATOM 0 HG3 GLN A 41 10.720 -5.973 -1.657 1.00 0.54 H new ATOM 0 HE21 GLN A 41 11.851 -7.628 -2.762 1.00 2.20 H new ATOM 0 HE22 GLN A 41 13.611 -7.586 -2.921 1.00 2.20 H new ATOM 626 N ASN A 42 8.236 -4.202 -4.907 1.00 0.52 N ATOM 627 CA ASN A 42 7.402 -3.451 -5.838 1.00 0.53 C ATOM 628 C ASN A 42 6.336 -2.649 -5.089 1.00 0.51 C ATOM 629 O ASN A 42 5.157 -3.004 -5.105 1.00 0.59 O ATOM 630 CB ASN A 42 6.738 -4.397 -6.846 1.00 0.66 C ATOM 631 CG ASN A 42 5.920 -5.486 -6.177 1.00 1.27 C ATOM 632 OD1 ASN A 42 6.231 -5.925 -5.070 1.00 2.15 O ATOM 633 ND2 ASN A 42 4.863 -5.929 -6.850 1.00 1.71 N ATOM 0 H ASN A 42 7.934 -4.145 -3.934 1.00 0.52 H new ATOM 0 HA ASN A 42 8.042 -2.754 -6.378 1.00 0.53 H new ATOM 0 HB2 ASN A 42 6.094 -3.820 -7.509 1.00 0.66 H new ATOM 0 HB3 ASN A 42 7.507 -4.856 -7.468 1.00 0.66 H new ATOM 0 HD21 ASN A 42 4.274 -6.660 -6.451 1.00 1.71 H new ATOM 0 HD22 ASN A 42 4.640 -5.538 -7.765 1.00 1.71 H new ATOM 640 N PRO A 43 6.736 -1.548 -4.423 1.00 0.47 N ATOM 641 CA PRO A 43 5.802 -0.703 -3.669 1.00 0.54 C ATOM 642 C PRO A 43 4.838 0.038 -4.584 1.00 0.54 C ATOM 643 O PRO A 43 4.917 -0.073 -5.808 1.00 0.64 O ATOM 644 CB PRO A 43 6.721 0.292 -2.955 1.00 0.53 C ATOM 645 CG PRO A 43 7.933 0.358 -3.816 1.00 0.46 C ATOM 646 CD PRO A 43 8.118 -1.033 -4.352 1.00 0.45 C ATOM 0 HA PRO A 43 5.175 -1.286 -2.995 1.00 0.54 H new ATOM 0 HB2 PRO A 43 6.249 1.270 -2.857 1.00 0.53 H new ATOM 0 HB3 PRO A 43 6.967 -0.045 -1.948 1.00 0.53 H new ATOM 0 HG2 PRO A 43 7.801 1.076 -4.625 1.00 0.46 H new ATOM 0 HG3 PRO A 43 8.804 0.678 -3.244 1.00 0.46 H new ATOM 0 HD2 PRO A 43 8.598 -1.028 -5.331 1.00 0.45 H new ATOM 0 HD3 PRO A 43 8.741 -1.639 -3.695 1.00 0.45 H new ATOM 654 N THR A 44 3.927 0.793 -3.984 1.00 0.59 N ATOM 655 CA THR A 44 2.953 1.559 -4.748 1.00 0.65 C ATOM 656 C THR A 44 3.473 2.967 -5.011 1.00 0.57 C ATOM 657 O THR A 44 4.183 3.531 -4.181 1.00 0.51 O ATOM 658 CB THR A 44 1.598 1.645 -4.019 1.00 0.78 C ATOM 659 OG1 THR A 44 1.169 0.334 -3.630 1.00 1.05 O ATOM 660 CG2 THR A 44 0.542 2.280 -4.912 1.00 1.02 C ATOM 0 H THR A 44 3.843 0.891 -2.972 1.00 0.59 H new ATOM 0 HA THR A 44 2.803 1.039 -5.694 1.00 0.65 H new ATOM 0 HB THR A 44 1.726 2.267 -3.133 1.00 0.78 H new ATOM 0 HG1 THR A 44 0.308 0.396 -3.166 1.00 1.05 H new ATOM 0 HG21 THR A 44 -0.406 2.330 -4.376 1.00 1.02 H new ATOM 0 HG22 THR A 44 0.856 3.287 -5.188 1.00 1.02 H new ATOM 0 HG23 THR A 44 0.418 1.679 -5.813 1.00 1.02 H new ATOM 668 N GLU A 45 3.128 3.526 -6.166 1.00 0.61 N ATOM 669 CA GLU A 45 3.574 4.867 -6.529 1.00 0.61 C ATOM 670 C GLU A 45 3.395 5.843 -5.369 1.00 0.60 C ATOM 671 O GLU A 45 4.311 6.593 -5.030 1.00 0.56 O ATOM 672 CB GLU A 45 2.814 5.365 -7.758 1.00 0.75 C ATOM 673 CG GLU A 45 3.144 4.594 -9.026 1.00 1.33 C ATOM 674 CD GLU A 45 2.349 5.072 -10.224 1.00 2.16 C ATOM 675 OE1 GLU A 45 1.234 4.555 -10.442 1.00 2.69 O ATOM 676 OE2 GLU A 45 2.843 5.964 -10.946 1.00 2.64 O ATOM 0 H GLU A 45 2.542 3.072 -6.866 1.00 0.61 H new ATOM 0 HA GLU A 45 4.637 4.814 -6.765 1.00 0.61 H new ATOM 0 HB2 GLU A 45 1.743 5.294 -7.567 1.00 0.75 H new ATOM 0 HB3 GLU A 45 3.041 6.420 -7.914 1.00 0.75 H new ATOM 0 HG2 GLU A 45 4.209 4.692 -9.239 1.00 1.33 H new ATOM 0 HG3 GLU A 45 2.947 3.534 -8.864 1.00 1.33 H new ATOM 683 N ALA A 46 2.217 5.819 -4.756 1.00 0.66 N ATOM 684 CA ALA A 46 1.922 6.706 -3.638 1.00 0.70 C ATOM 685 C ALA A 46 2.715 6.319 -2.396 1.00 0.64 C ATOM 686 O ALA A 46 3.071 7.176 -1.588 1.00 0.66 O ATOM 687 CB ALA A 46 0.434 6.695 -3.331 1.00 0.83 C ATOM 0 H ALA A 46 1.452 5.196 -5.014 1.00 0.66 H new ATOM 0 HA ALA A 46 2.219 7.714 -3.928 1.00 0.70 H new ATOM 0 HB1 ALA A 46 0.230 7.362 -2.494 1.00 0.83 H new ATOM 0 HB2 ALA A 46 -0.121 7.032 -4.207 1.00 0.83 H new ATOM 0 HB3 ALA A 46 0.123 5.683 -3.072 1.00 0.83 H new ATOM 693 N GLU A 47 2.994 5.027 -2.248 1.00 0.62 N ATOM 694 CA GLU A 47 3.741 4.535 -1.096 1.00 0.62 C ATOM 695 C GLU A 47 5.158 5.087 -1.107 1.00 0.50 C ATOM 696 O GLU A 47 5.656 5.579 -0.093 1.00 0.48 O ATOM 697 CB GLU A 47 3.779 3.007 -1.093 1.00 0.69 C ATOM 698 CG GLU A 47 4.526 2.421 0.095 1.00 0.75 C ATOM 699 CD GLU A 47 3.870 2.761 1.419 1.00 1.31 C ATOM 700 OE1 GLU A 47 2.921 2.049 1.812 1.00 1.34 O ATOM 701 OE2 GLU A 47 4.305 3.739 2.063 1.00 2.23 O ATOM 0 H GLU A 47 2.714 4.304 -2.910 1.00 0.62 H new ATOM 0 HA GLU A 47 3.236 4.875 -0.192 1.00 0.62 H new ATOM 0 HB2 GLU A 47 2.758 2.626 -1.094 1.00 0.69 H new ATOM 0 HB3 GLU A 47 4.249 2.661 -2.014 1.00 0.69 H new ATOM 0 HG2 GLU A 47 4.580 1.338 -0.012 1.00 0.75 H new ATOM 0 HG3 GLU A 47 5.551 2.793 0.095 1.00 0.75 H new ATOM 708 N LEU A 48 5.801 4.999 -2.264 1.00 0.45 N ATOM 709 CA LEU A 48 7.161 5.487 -2.423 1.00 0.39 C ATOM 710 C LEU A 48 7.212 6.995 -2.193 1.00 0.35 C ATOM 711 O LEU A 48 8.156 7.521 -1.598 1.00 0.34 O ATOM 712 CB LEU A 48 7.677 5.139 -3.821 1.00 0.40 C ATOM 713 CG LEU A 48 9.188 5.253 -4.006 1.00 0.66 C ATOM 714 CD1 LEU A 48 9.902 4.216 -3.153 1.00 1.42 C ATOM 715 CD2 LEU A 48 9.552 5.086 -5.471 1.00 1.39 C ATOM 0 H LEU A 48 5.399 4.592 -3.108 1.00 0.45 H new ATOM 0 HA LEU A 48 7.801 5.006 -1.683 1.00 0.39 H new ATOM 0 HB2 LEU A 48 7.374 4.119 -4.058 1.00 0.40 H new ATOM 0 HB3 LEU A 48 7.189 5.793 -4.544 1.00 0.40 H new ATOM 0 HG LEU A 48 9.509 6.243 -3.683 1.00 0.66 H new ATOM 0 HD11 LEU A 48 10.979 4.308 -3.294 1.00 1.42 H new ATOM 0 HD12 LEU A 48 9.658 4.378 -2.103 1.00 1.42 H new ATOM 0 HD13 LEU A 48 9.581 3.217 -3.450 1.00 1.42 H new ATOM 0 HD21 LEU A 48 10.632 5.169 -5.589 1.00 1.39 H new ATOM 0 HD22 LEU A 48 9.224 4.106 -5.818 1.00 1.39 H new ATOM 0 HD23 LEU A 48 9.062 5.862 -6.059 1.00 1.39 H new ATOM 727 N GLN A 49 6.178 7.681 -2.664 1.00 0.45 N ATOM 728 CA GLN A 49 6.077 9.128 -2.517 1.00 0.52 C ATOM 729 C GLN A 49 5.763 9.508 -1.078 1.00 0.54 C ATOM 730 O GLN A 49 6.091 10.605 -0.628 1.00 0.58 O ATOM 731 CB GLN A 49 4.976 9.663 -3.426 1.00 0.67 C ATOM 732 CG GLN A 49 5.273 9.512 -4.910 1.00 0.70 C ATOM 733 CD GLN A 49 6.488 10.308 -5.348 1.00 0.77 C ATOM 734 OE1 GLN A 49 6.803 11.349 -4.773 1.00 1.21 O ATOM 735 NE2 GLN A 49 7.174 9.821 -6.376 1.00 1.02 N ATOM 0 H GLN A 49 5.392 7.255 -3.155 1.00 0.45 H new ATOM 0 HA GLN A 49 7.036 9.565 -2.795 1.00 0.52 H new ATOM 0 HB2 GLN A 49 4.045 9.144 -3.197 1.00 0.67 H new ATOM 0 HB3 GLN A 49 4.815 10.718 -3.203 1.00 0.67 H new ATOM 0 HG2 GLN A 49 5.432 8.458 -5.139 1.00 0.70 H new ATOM 0 HG3 GLN A 49 4.405 9.836 -5.485 1.00 0.70 H new ATOM 0 HE21 GLN A 49 6.876 8.954 -6.823 1.00 1.02 H new ATOM 0 HE22 GLN A 49 7.998 10.314 -6.718 1.00 1.02 H new ATOM 744 N ASP A 50 5.123 8.592 -0.361 1.00 0.59 N ATOM 745 CA ASP A 50 4.747 8.829 1.025 1.00 0.68 C ATOM 746 C ASP A 50 5.973 8.867 1.920 1.00 0.59 C ATOM 747 O ASP A 50 6.186 9.834 2.654 1.00 0.57 O ATOM 748 CB ASP A 50 3.774 7.754 1.516 1.00 0.88 C ATOM 749 CG ASP A 50 2.331 8.081 1.182 1.00 1.05 C ATOM 750 OD1 ASP A 50 1.876 9.191 1.531 1.00 1.09 O ATOM 751 OD2 ASP A 50 1.658 7.229 0.565 1.00 1.19 O ATOM 0 H ASP A 50 4.853 7.676 -0.719 1.00 0.59 H new ATOM 0 HA ASP A 50 4.251 9.798 1.074 1.00 0.68 H new ATOM 0 HB2 ASP A 50 4.039 6.796 1.068 1.00 0.88 H new ATOM 0 HB3 ASP A 50 3.877 7.641 2.595 1.00 0.88 H new ATOM 756 N LEU A 51 6.780 7.814 1.858 1.00 0.60 N ATOM 757 CA LEU A 51 7.981 7.748 2.672 1.00 0.64 C ATOM 758 C LEU A 51 8.899 8.924 2.372 1.00 0.54 C ATOM 759 O LEU A 51 9.471 9.525 3.282 1.00 0.64 O ATOM 760 CB LEU A 51 8.729 6.448 2.455 1.00 0.76 C ATOM 761 CG LEU A 51 9.107 6.146 1.022 1.00 0.40 C ATOM 762 CD1 LEU A 51 10.610 6.262 0.823 1.00 0.86 C ATOM 763 CD2 LEU A 51 8.617 4.766 0.679 1.00 0.84 C ATOM 0 H LEU A 51 6.624 7.004 1.258 1.00 0.60 H new ATOM 0 HA LEU A 51 7.668 7.794 3.715 1.00 0.64 H new ATOM 0 HB2 LEU A 51 9.638 6.467 3.056 1.00 0.76 H new ATOM 0 HB3 LEU A 51 8.116 5.629 2.831 1.00 0.76 H new ATOM 0 HG LEU A 51 8.640 6.872 0.356 1.00 0.40 H new ATOM 0 HD11 LEU A 51 10.858 6.040 -0.215 1.00 0.86 H new ATOM 0 HD12 LEU A 51 10.932 7.275 1.065 1.00 0.86 H new ATOM 0 HD13 LEU A 51 11.119 5.554 1.477 1.00 0.86 H new ATOM 0 HD21 LEU A 51 8.881 4.532 -0.352 1.00 0.84 H new ATOM 0 HD22 LEU A 51 9.080 4.039 1.346 1.00 0.84 H new ATOM 0 HD23 LEU A 51 7.534 4.726 0.794 1.00 0.84 H new ATOM 775 N ILE A 52 9.040 9.249 1.087 1.00 0.44 N ATOM 776 CA ILE A 52 9.891 10.357 0.682 1.00 0.48 C ATOM 777 C ILE A 52 9.299 11.686 1.110 1.00 0.53 C ATOM 778 O ILE A 52 10.024 12.610 1.423 1.00 0.68 O ATOM 779 CB ILE A 52 10.110 10.405 -0.839 1.00 0.48 C ATOM 780 CG1 ILE A 52 10.811 9.133 -1.325 1.00 0.48 C ATOM 781 CG2 ILE A 52 10.910 11.645 -1.211 1.00 0.67 C ATOM 782 CD1 ILE A 52 10.880 9.016 -2.833 1.00 0.54 C ATOM 0 H ILE A 52 8.579 8.763 0.318 1.00 0.44 H new ATOM 0 HA ILE A 52 10.849 10.189 1.175 1.00 0.48 H new ATOM 0 HB ILE A 52 9.140 10.459 -1.332 1.00 0.48 H new ATOM 0 HG12 ILE A 52 11.823 9.109 -0.921 1.00 0.48 H new ATOM 0 HG13 ILE A 52 10.287 8.265 -0.925 1.00 0.48 H new ATOM 0 HG21 ILE A 52 11.060 11.671 -2.290 1.00 0.67 H new ATOM 0 HG22 ILE A 52 10.366 12.536 -0.899 1.00 0.67 H new ATOM 0 HG23 ILE A 52 11.878 11.617 -0.710 1.00 0.67 H new ATOM 0 HD11 ILE A 52 11.389 8.091 -3.103 1.00 0.54 H new ATOM 0 HD12 ILE A 52 9.870 9.008 -3.244 1.00 0.54 H new ATOM 0 HD13 ILE A 52 11.430 9.865 -3.239 1.00 0.54 H new ATOM 794 N ALA A 53 7.981 11.784 1.108 1.00 0.50 N ATOM 795 CA ALA A 53 7.325 13.024 1.496 1.00 0.60 C ATOM 796 C ALA A 53 7.626 13.372 2.948 1.00 0.64 C ATOM 797 O ALA A 53 7.716 14.545 3.310 1.00 0.73 O ATOM 798 CB ALA A 53 5.828 12.923 1.262 1.00 0.67 C ATOM 0 H ALA A 53 7.348 11.029 0.845 1.00 0.50 H new ATOM 0 HA ALA A 53 7.719 13.829 0.875 1.00 0.60 H new ATOM 0 HB1 ALA A 53 5.350 13.857 1.556 1.00 0.67 H new ATOM 0 HB2 ALA A 53 5.637 12.735 0.206 1.00 0.67 H new ATOM 0 HB3 ALA A 53 5.421 12.104 1.856 1.00 0.67 H new ATOM 804 N GLU A 54 7.779 12.344 3.775 1.00 0.63 N ATOM 805 CA GLU A 54 8.075 12.539 5.190 1.00 0.72 C ATOM 806 C GLU A 54 9.560 12.815 5.419 1.00 0.66 C ATOM 807 O GLU A 54 9.924 13.720 6.169 1.00 0.72 O ATOM 808 CB GLU A 54 7.646 11.310 5.994 1.00 0.81 C ATOM 809 CG GLU A 54 7.866 11.456 7.491 1.00 1.18 C ATOM 810 CD GLU A 54 7.451 10.220 8.264 1.00 1.71 C ATOM 811 OE1 GLU A 54 6.257 10.110 8.612 1.00 1.82 O ATOM 812 OE2 GLU A 54 8.321 9.361 8.521 1.00 2.45 O ATOM 0 H GLU A 54 7.703 11.367 3.491 1.00 0.63 H new ATOM 0 HA GLU A 54 7.513 13.409 5.529 1.00 0.72 H new ATOM 0 HB2 GLU A 54 6.590 11.115 5.808 1.00 0.81 H new ATOM 0 HB3 GLU A 54 8.199 10.441 5.637 1.00 0.81 H new ATOM 0 HG2 GLU A 54 8.919 11.663 7.681 1.00 1.18 H new ATOM 0 HG3 GLU A 54 7.302 12.315 7.855 1.00 1.18 H new ATOM 819 N ALA A 55 10.413 12.028 4.768 1.00 0.58 N ATOM 820 CA ALA A 55 11.861 12.174 4.915 1.00 0.56 C ATOM 821 C ALA A 55 12.416 13.311 4.058 1.00 0.58 C ATOM 822 O ALA A 55 13.554 13.740 4.248 1.00 0.62 O ATOM 823 CB ALA A 55 12.554 10.867 4.564 1.00 0.56 C ATOM 0 H ALA A 55 10.128 11.282 4.133 1.00 0.58 H new ATOM 0 HA ALA A 55 12.061 12.425 5.957 1.00 0.56 H new ATOM 0 HB1 ALA A 55 13.632 10.985 4.676 1.00 0.56 H new ATOM 0 HB2 ALA A 55 12.204 10.079 5.231 1.00 0.56 H new ATOM 0 HB3 ALA A 55 12.324 10.599 3.533 1.00 0.56 H new ATOM 829 N GLU A 56 11.613 13.792 3.118 1.00 0.59 N ATOM 830 CA GLU A 56 12.036 14.862 2.219 1.00 0.65 C ATOM 831 C GLU A 56 12.533 16.076 3.003 1.00 0.72 C ATOM 832 O GLU A 56 13.523 16.705 2.628 1.00 0.77 O ATOM 833 CB GLU A 56 10.888 15.282 1.295 1.00 0.72 C ATOM 834 CG GLU A 56 11.204 16.501 0.444 1.00 0.82 C ATOM 835 CD GLU A 56 10.072 16.864 -0.496 1.00 1.52 C ATOM 836 OE1 GLU A 56 10.032 16.313 -1.617 1.00 2.45 O ATOM 837 OE2 GLU A 56 9.225 17.697 -0.113 1.00 1.79 O ATOM 0 H GLU A 56 10.663 13.458 2.957 1.00 0.59 H new ATOM 0 HA GLU A 56 12.857 14.476 1.614 1.00 0.65 H new ATOM 0 HB2 GLU A 56 10.637 14.448 0.640 1.00 0.72 H new ATOM 0 HB3 GLU A 56 10.005 15.490 1.899 1.00 0.72 H new ATOM 0 HG2 GLU A 56 11.417 17.349 1.095 1.00 0.82 H new ATOM 0 HG3 GLU A 56 12.107 16.310 -0.137 1.00 0.82 H new ATOM 844 N ASN A 57 11.837 16.395 4.092 1.00 0.77 N ATOM 845 CA ASN A 57 12.199 17.539 4.924 1.00 0.88 C ATOM 846 C ASN A 57 12.627 17.100 6.322 1.00 0.82 C ATOM 847 O ASN A 57 11.851 17.177 7.275 1.00 1.21 O ATOM 848 CB ASN A 57 11.022 18.511 5.019 1.00 1.17 C ATOM 849 CG ASN A 57 10.659 19.107 3.673 1.00 1.21 C ATOM 850 OD1 ASN A 57 11.147 20.175 3.301 1.00 1.80 O ATOM 851 ND2 ASN A 57 9.802 18.415 2.929 1.00 1.19 N ATOM 0 H ASN A 57 11.020 15.878 4.418 1.00 0.77 H new ATOM 0 HA ASN A 57 13.046 18.040 4.455 1.00 0.88 H new ATOM 0 HB2 ASN A 57 10.156 17.991 5.429 1.00 1.17 H new ATOM 0 HB3 ASN A 57 11.271 19.313 5.714 1.00 1.17 H new ATOM 0 HD21 ASN A 57 9.525 18.765 2.012 1.00 1.19 H new ATOM 0 HD22 ASN A 57 9.421 17.534 3.275 1.00 1.19 H new ATOM 858 N ASN A 58 13.871 16.643 6.429 1.00 1.05 N ATOM 859 CA ASN A 58 14.433 16.190 7.700 1.00 1.01 C ATOM 860 C ASN A 58 15.886 15.779 7.507 1.00 0.95 C ATOM 861 O ASN A 58 16.710 15.901 8.412 1.00 1.57 O ATOM 862 CB ASN A 58 13.627 15.016 8.259 1.00 1.04 C ATOM 863 CG ASN A 58 14.152 14.541 9.601 1.00 1.42 C ATOM 864 OD1 ASN A 58 15.017 13.668 9.668 1.00 1.82 O ATOM 865 ND2 ASN A 58 13.629 15.115 10.678 1.00 1.89 N ATOM 0 H ASN A 58 14.516 16.576 5.642 1.00 1.05 H new ATOM 0 HA ASN A 58 14.384 17.013 8.413 1.00 1.01 H new ATOM 0 HB2 ASN A 58 12.583 15.313 8.365 1.00 1.04 H new ATOM 0 HB3 ASN A 58 13.653 14.190 7.549 1.00 1.04 H new ATOM 0 HD21 ASN A 58 13.943 14.836 11.608 1.00 1.89 H new ATOM 0 HD22 ASN A 58 12.914 15.835 10.576 1.00 1.89 H new ATOM 872 N ASN A 59 16.181 15.291 6.310 1.00 0.75 N ATOM 873 CA ASN A 59 17.524 14.859 5.950 1.00 0.73 C ATOM 874 C ASN A 59 17.736 15.043 4.454 1.00 0.84 C ATOM 875 O ASN A 59 16.793 15.358 3.728 1.00 1.76 O ATOM 876 CB ASN A 59 17.741 13.389 6.340 1.00 0.76 C ATOM 877 CG ASN A 59 16.661 12.464 5.798 1.00 0.95 C ATOM 878 OD1 ASN A 59 15.498 12.848 5.685 1.00 1.75 O ATOM 879 ND2 ASN A 59 17.046 11.236 5.458 1.00 0.92 N ATOM 0 H ASN A 59 15.496 15.184 5.562 1.00 0.75 H new ATOM 0 HA ASN A 59 18.248 15.467 6.493 1.00 0.73 H new ATOM 0 HB2 ASN A 59 18.712 13.060 5.970 1.00 0.76 H new ATOM 0 HB3 ASN A 59 17.770 13.308 7.427 1.00 0.76 H new ATOM 0 HD21 ASN A 59 16.366 10.573 5.087 1.00 0.92 H new ATOM 0 HD22 ASN A 59 18.021 10.959 5.568 1.00 0.92 H new ATOM 886 N ASN A 60 18.966 14.851 3.990 1.00 0.57 N ATOM 887 CA ASN A 60 19.260 14.990 2.568 1.00 0.52 C ATOM 888 C ASN A 60 18.504 13.931 1.778 1.00 0.42 C ATOM 889 O ASN A 60 18.563 13.889 0.548 1.00 0.53 O ATOM 890 CB ASN A 60 20.761 14.858 2.300 1.00 0.58 C ATOM 891 CG ASN A 60 21.278 13.454 2.552 1.00 0.93 C ATOM 892 OD1 ASN A 60 21.109 12.569 1.571 1.00 1.99 O flip ATOM 893 ND2 ASN A 60 21.814 13.162 3.622 1.00 0.55 N flip ATOM 0 H ASN A 60 19.767 14.602 4.570 1.00 0.57 H new ATOM 0 HA ASN A 60 18.940 15.982 2.250 1.00 0.52 H new ATOM 0 HB2 ASN A 60 20.968 15.137 1.267 1.00 0.58 H new ATOM 0 HB3 ASN A 60 21.303 15.560 2.934 1.00 0.58 H new ATOM 0 HD21 ASN A 60 21.924 13.871 4.347 1.00 0.55 H new ATOM 0 HD22 ASN A 60 22.148 12.212 3.782 1.00 0.55 H new ATOM 900 N GLY A 61 17.795 13.077 2.506 1.00 0.37 N ATOM 901 CA GLY A 61 17.039 12.015 1.886 1.00 0.33 C ATOM 902 C GLY A 61 17.759 10.693 2.003 1.00 0.27 C ATOM 903 O GLY A 61 17.998 10.032 1.010 1.00 0.33 O ATOM 0 H GLY A 61 17.733 13.105 3.524 1.00 0.37 H new ATOM 0 HA2 GLY A 61 16.058 11.941 2.356 1.00 0.33 H new ATOM 0 HA3 GLY A 61 16.872 12.250 0.835 1.00 0.33 H new ATOM 907 N GLN A 62 18.115 10.324 3.225 1.00 0.29 N ATOM 908 CA GLN A 62 18.822 9.074 3.486 1.00 0.25 C ATOM 909 C GLN A 62 17.962 8.110 4.304 1.00 0.29 C ATOM 910 O GLN A 62 17.054 8.527 5.024 1.00 0.42 O ATOM 911 CB GLN A 62 20.127 9.361 4.233 1.00 0.30 C ATOM 912 CG GLN A 62 21.175 10.066 3.394 1.00 0.31 C ATOM 913 CD GLN A 62 21.877 9.125 2.438 1.00 0.32 C ATOM 914 OE1 GLN A 62 21.350 9.008 1.227 1.00 0.38 O flip ATOM 915 NE2 GLN A 62 22.886 8.513 2.784 1.00 0.54 N flip ATOM 0 H GLN A 62 17.924 10.877 4.060 1.00 0.29 H new ATOM 0 HA GLN A 62 19.043 8.605 2.527 1.00 0.25 H new ATOM 0 HB2 GLN A 62 19.906 9.972 5.108 1.00 0.30 H new ATOM 0 HB3 GLN A 62 20.540 8.420 4.597 1.00 0.30 H new ATOM 0 HG2 GLN A 62 20.703 10.869 2.828 1.00 0.31 H new ATOM 0 HG3 GLN A 62 21.912 10.529 4.051 1.00 0.31 H new ATOM 0 HE21 GLN A 62 23.257 8.633 3.726 1.00 0.54 H new ATOM 0 HE22 GLN A 62 23.352 7.885 2.129 1.00 0.54 H new ATOM 924 N LEU A 63 18.257 6.818 4.181 1.00 0.28 N ATOM 925 CA LEU A 63 17.523 5.780 4.902 1.00 0.37 C ATOM 926 C LEU A 63 18.459 4.660 5.344 1.00 0.27 C ATOM 927 O LEU A 63 19.511 4.445 4.738 1.00 0.23 O ATOM 928 CB LEU A 63 16.387 5.239 4.049 1.00 0.57 C ATOM 929 CG LEU A 63 16.786 4.799 2.656 1.00 0.90 C ATOM 930 CD1 LEU A 63 17.158 3.331 2.669 1.00 1.58 C ATOM 931 CD2 LEU A 63 15.655 5.077 1.687 1.00 1.61 C ATOM 0 H LEU A 63 19.004 6.463 3.585 1.00 0.28 H new ATOM 0 HA LEU A 63 17.091 6.225 5.798 1.00 0.37 H new ATOM 0 HB2 LEU A 63 15.936 4.392 4.566 1.00 0.57 H new ATOM 0 HB3 LEU A 63 15.618 6.007 3.965 1.00 0.57 H new ATOM 0 HG LEU A 63 17.658 5.364 2.326 1.00 0.90 H new ATOM 0 HD11 LEU A 63 17.444 3.019 1.665 1.00 1.58 H new ATOM 0 HD12 LEU A 63 17.994 3.174 3.350 1.00 1.58 H new ATOM 0 HD13 LEU A 63 16.303 2.742 3.002 1.00 1.58 H new ATOM 0 HD21 LEU A 63 15.947 4.759 0.686 1.00 1.61 H new ATOM 0 HD22 LEU A 63 14.766 4.528 1.998 1.00 1.61 H new ATOM 0 HD23 LEU A 63 15.437 6.145 1.679 1.00 1.61 H new ATOM 943 N ASN A 64 18.047 3.924 6.372 1.00 0.31 N ATOM 944 CA ASN A 64 18.867 2.853 6.930 1.00 0.28 C ATOM 945 C ASN A 64 18.296 1.481 6.616 1.00 0.25 C ATOM 946 O ASN A 64 17.111 1.337 6.318 1.00 0.27 O ATOM 947 CB ASN A 64 18.977 2.992 8.450 1.00 0.41 C ATOM 948 CG ASN A 64 19.510 4.335 8.887 1.00 0.53 C ATOM 949 OD1 ASN A 64 20.684 4.466 9.232 1.00 1.34 O ATOM 950 ND2 ASN A 64 18.647 5.342 8.881 1.00 0.95 N ATOM 0 H ASN A 64 17.148 4.050 6.837 1.00 0.31 H new ATOM 0 HA ASN A 64 19.851 2.943 6.470 1.00 0.28 H new ATOM 0 HB2 ASN A 64 17.994 2.836 8.895 1.00 0.41 H new ATOM 0 HB3 ASN A 64 19.629 2.207 8.834 1.00 0.41 H new ATOM 0 HD21 ASN A 64 18.947 6.273 9.171 1.00 0.95 H new ATOM 0 HD22 ASN A 64 17.683 5.186 8.587 1.00 0.95 H new ATOM 957 N PHE A 65 19.172 0.486 6.664 1.00 0.25 N ATOM 958 CA PHE A 65 18.809 -0.902 6.394 1.00 0.26 C ATOM 959 C PHE A 65 17.447 -1.255 6.995 1.00 0.27 C ATOM 960 O PHE A 65 16.676 -2.006 6.401 1.00 0.31 O ATOM 961 CB PHE A 65 19.890 -1.826 6.962 1.00 0.32 C ATOM 962 CG PHE A 65 19.623 -3.290 6.757 1.00 0.30 C ATOM 963 CD1 PHE A 65 20.030 -3.926 5.595 1.00 0.36 C ATOM 964 CD2 PHE A 65 18.975 -4.033 7.733 1.00 0.39 C ATOM 965 CE1 PHE A 65 19.793 -5.275 5.411 1.00 0.44 C ATOM 966 CE2 PHE A 65 18.738 -5.382 7.553 1.00 0.45 C ATOM 967 CZ PHE A 65 19.147 -6.003 6.390 1.00 0.45 C ATOM 0 H PHE A 65 20.158 0.618 6.892 1.00 0.25 H new ATOM 0 HA PHE A 65 18.736 -1.035 5.315 1.00 0.26 H new ATOM 0 HB2 PHE A 65 20.845 -1.575 6.501 1.00 0.32 H new ATOM 0 HB3 PHE A 65 19.992 -1.633 8.030 1.00 0.32 H new ATOM 0 HD1 PHE A 65 20.537 -3.362 4.826 1.00 0.36 H new ATOM 0 HD2 PHE A 65 18.652 -3.551 8.644 1.00 0.39 H new ATOM 0 HE1 PHE A 65 20.113 -5.760 4.501 1.00 0.44 H new ATOM 0 HE2 PHE A 65 18.234 -5.950 8.321 1.00 0.45 H new ATOM 0 HZ PHE A 65 18.962 -7.057 6.246 1.00 0.45 H new ATOM 977 N THR A 66 17.152 -0.700 8.167 1.00 0.28 N ATOM 978 CA THR A 66 15.886 -0.970 8.841 1.00 0.32 C ATOM 979 C THR A 66 14.698 -0.478 8.020 1.00 0.31 C ATOM 980 O THR A 66 13.699 -1.181 7.878 1.00 0.33 O ATOM 981 CB THR A 66 15.829 -0.306 10.226 1.00 0.38 C ATOM 982 OG1 THR A 66 17.103 -0.407 10.873 1.00 0.56 O ATOM 983 CG2 THR A 66 14.763 -0.958 11.092 1.00 0.52 C ATOM 0 H THR A 66 17.770 -0.062 8.668 1.00 0.28 H new ATOM 0 HA THR A 66 15.826 -2.052 8.955 1.00 0.32 H new ATOM 0 HB THR A 66 15.575 0.745 10.090 1.00 0.38 H new ATOM 0 HG1 THR A 66 17.057 0.020 11.754 1.00 0.56 H new ATOM 0 HG21 THR A 66 14.740 -0.473 12.068 1.00 0.52 H new ATOM 0 HG22 THR A 66 13.790 -0.854 10.612 1.00 0.52 H new ATOM 0 HG23 THR A 66 14.994 -2.016 11.218 1.00 0.52 H new ATOM 991 N GLU A 67 14.808 0.736 7.488 1.00 0.30 N ATOM 992 CA GLU A 67 13.737 1.318 6.690 1.00 0.33 C ATOM 993 C GLU A 67 13.426 0.461 5.466 1.00 0.30 C ATOM 994 O GLU A 67 12.281 0.060 5.259 1.00 0.33 O ATOM 995 CB GLU A 67 14.107 2.739 6.263 1.00 0.36 C ATOM 996 CG GLU A 67 14.276 3.691 7.435 1.00 0.42 C ATOM 997 CD GLU A 67 14.504 5.124 6.998 1.00 0.93 C ATOM 998 OE1 GLU A 67 13.587 5.712 6.386 1.00 1.22 O ATOM 999 OE2 GLU A 67 15.597 5.661 7.273 1.00 1.70 O ATOM 0 H GLU A 67 15.627 1.334 7.596 1.00 0.30 H new ATOM 0 HA GLU A 67 12.840 1.355 7.309 1.00 0.33 H new ATOM 0 HB2 GLU A 67 15.034 2.710 5.690 1.00 0.36 H new ATOM 0 HB3 GLU A 67 13.334 3.125 5.598 1.00 0.36 H new ATOM 0 HG2 GLU A 67 13.388 3.645 8.066 1.00 0.42 H new ATOM 0 HG3 GLU A 67 15.118 3.363 8.045 1.00 0.42 H new ATOM 1006 N PHE A 68 14.445 0.179 4.657 1.00 0.27 N ATOM 1007 CA PHE A 68 14.251 -0.631 3.459 1.00 0.26 C ATOM 1008 C PHE A 68 13.773 -2.033 3.814 1.00 0.27 C ATOM 1009 O PHE A 68 12.732 -2.479 3.335 1.00 0.31 O ATOM 1010 CB PHE A 68 15.542 -0.723 2.635 1.00 0.26 C ATOM 1011 CG PHE A 68 15.372 -1.412 1.299 1.00 0.27 C ATOM 1012 CD1 PHE A 68 14.118 -1.516 0.710 1.00 0.38 C ATOM 1013 CD2 PHE A 68 16.459 -1.974 0.638 1.00 0.35 C ATOM 1014 CE1 PHE A 68 13.957 -2.157 -0.503 1.00 0.44 C ATOM 1015 CE2 PHE A 68 16.299 -2.619 -0.571 1.00 0.37 C ATOM 1016 CZ PHE A 68 15.070 -2.647 -1.177 1.00 0.37 C ATOM 0 H PHE A 68 15.403 0.496 4.807 1.00 0.27 H new ATOM 0 HA PHE A 68 13.485 -0.138 2.860 1.00 0.26 H new ATOM 0 HB2 PHE A 68 15.926 0.283 2.467 1.00 0.26 H new ATOM 0 HB3 PHE A 68 16.294 -1.258 3.215 1.00 0.26 H new ATOM 0 HD1 PHE A 68 13.259 -1.090 1.207 1.00 0.38 H new ATOM 0 HD2 PHE A 68 17.443 -1.904 1.078 1.00 0.35 H new ATOM 0 HE1 PHE A 68 12.971 -2.277 -0.926 1.00 0.44 H new ATOM 0 HE2 PHE A 68 17.143 -3.102 -1.040 1.00 0.37 H new ATOM 0 HZ PHE A 68 14.966 -3.048 -2.174 1.00 0.37 H new ATOM 1026 N CYS A 69 14.531 -2.719 4.664 1.00 0.26 N ATOM 1027 CA CYS A 69 14.183 -4.076 5.060 1.00 0.28 C ATOM 1028 C CYS A 69 12.789 -4.120 5.662 1.00 0.29 C ATOM 1029 O CYS A 69 12.111 -5.143 5.602 1.00 0.34 O ATOM 1030 CB CYS A 69 15.190 -4.630 6.067 1.00 0.27 C ATOM 1031 SG CYS A 69 15.476 -6.407 5.922 1.00 0.49 S ATOM 0 H CYS A 69 15.385 -2.358 5.089 1.00 0.26 H new ATOM 0 HA CYS A 69 14.205 -4.695 4.163 1.00 0.28 H new ATOM 0 HB2 CYS A 69 16.139 -4.109 5.940 1.00 0.27 H new ATOM 0 HB3 CYS A 69 14.838 -4.411 7.075 1.00 0.27 H new ATOM 0 HG CYS A 69 16.120 -6.654 4.820 1.00 0.49 H new ATOM 1037 N GLY A 70 12.373 -3.009 6.260 1.00 0.31 N ATOM 1038 CA GLY A 70 11.053 -2.944 6.847 1.00 0.34 C ATOM 1039 C GLY A 70 9.984 -3.113 5.798 1.00 0.35 C ATOM 1040 O GLY A 70 9.127 -4.001 5.890 1.00 0.35 O ATOM 0 H GLY A 70 12.926 -2.156 6.347 1.00 0.31 H new ATOM 0 HA2 GLY A 70 10.950 -3.721 7.604 1.00 0.34 H new ATOM 0 HA3 GLY A 70 10.923 -1.987 7.352 1.00 0.34 H new ATOM 1044 N ILE A 71 10.046 -2.269 4.783 1.00 0.38 N ATOM 1045 CA ILE A 71 9.098 -2.331 3.694 1.00 0.41 C ATOM 1046 C ILE A 71 9.255 -3.634 2.938 1.00 0.41 C ATOM 1047 O ILE A 71 8.299 -4.156 2.366 1.00 0.45 O ATOM 1048 CB ILE A 71 9.296 -1.174 2.714 1.00 0.43 C ATOM 1049 CG1 ILE A 71 9.094 0.155 3.442 1.00 0.46 C ATOM 1050 CG2 ILE A 71 8.340 -1.328 1.542 1.00 0.47 C ATOM 1051 CD1 ILE A 71 9.217 1.372 2.548 1.00 0.49 C ATOM 0 H ILE A 71 10.746 -1.532 4.694 1.00 0.38 H new ATOM 0 HA ILE A 71 8.100 -2.263 4.128 1.00 0.41 H new ATOM 0 HB ILE A 71 10.312 -1.187 2.319 1.00 0.43 H new ATOM 0 HG12 ILE A 71 8.108 0.157 3.907 1.00 0.46 H new ATOM 0 HG13 ILE A 71 9.826 0.232 4.246 1.00 0.46 H new ATOM 0 HG21 ILE A 71 8.483 -0.502 0.845 1.00 0.47 H new ATOM 0 HG22 ILE A 71 8.538 -2.271 1.033 1.00 0.47 H new ATOM 0 HG23 ILE A 71 7.313 -1.321 1.907 1.00 0.47 H new ATOM 0 HD11 ILE A 71 9.061 2.275 3.139 1.00 0.49 H new ATOM 0 HD12 ILE A 71 10.212 1.397 2.103 1.00 0.49 H new ATOM 0 HD13 ILE A 71 8.467 1.321 1.759 1.00 0.49 H new ATOM 1063 N MET A 72 10.471 -4.159 2.950 1.00 0.39 N ATOM 1064 CA MET A 72 10.755 -5.395 2.259 1.00 0.41 C ATOM 1065 C MET A 72 10.025 -6.520 2.949 1.00 0.42 C ATOM 1066 O MET A 72 9.417 -7.361 2.307 1.00 0.50 O ATOM 1067 CB MET A 72 12.254 -5.677 2.233 1.00 0.41 C ATOM 1068 CG MET A 72 13.023 -4.773 1.288 1.00 0.45 C ATOM 1069 SD MET A 72 14.595 -5.479 0.766 1.00 0.78 S ATOM 1070 CE MET A 72 14.074 -7.084 0.165 1.00 0.36 C ATOM 0 H MET A 72 11.270 -3.746 3.430 1.00 0.39 H new ATOM 0 HA MET A 72 10.416 -5.311 1.227 1.00 0.41 H new ATOM 0 HB2 MET A 72 12.655 -5.562 3.240 1.00 0.41 H new ATOM 0 HB3 MET A 72 12.416 -6.715 1.942 1.00 0.41 H new ATOM 0 HG2 MET A 72 12.411 -4.571 0.409 1.00 0.45 H new ATOM 0 HG3 MET A 72 13.205 -3.816 1.777 1.00 0.45 H new ATOM 0 HE1 MET A 72 14.602 -7.315 -0.760 1.00 0.36 H new ATOM 0 HE2 MET A 72 14.302 -7.844 0.912 1.00 0.36 H new ATOM 0 HE3 MET A 72 13.001 -7.071 -0.024 1.00 0.36 H new ATOM 1080 N ALA A 73 10.100 -6.515 4.271 1.00 0.41 N ATOM 1081 CA ALA A 73 9.422 -7.504 5.082 1.00 0.44 C ATOM 1082 C ALA A 73 7.964 -7.591 4.661 1.00 0.45 C ATOM 1083 O ALA A 73 7.398 -8.679 4.537 1.00 0.51 O ATOM 1084 CB ALA A 73 9.545 -7.120 6.544 1.00 0.46 C ATOM 0 H ALA A 73 10.631 -5.827 4.806 1.00 0.41 H new ATOM 0 HA ALA A 73 9.879 -8.484 4.941 1.00 0.44 H new ATOM 0 HB1 ALA A 73 9.036 -7.862 7.159 1.00 0.46 H new ATOM 0 HB2 ALA A 73 10.598 -7.079 6.822 1.00 0.46 H new ATOM 0 HB3 ALA A 73 9.090 -6.143 6.703 1.00 0.46 H new ATOM 1090 N LYS A 74 7.364 -6.425 4.438 1.00 0.42 N ATOM 1091 CA LYS A 74 5.975 -6.355 3.998 1.00 0.46 C ATOM 1092 C LYS A 74 5.850 -6.939 2.596 1.00 0.47 C ATOM 1093 O LYS A 74 5.021 -7.813 2.344 1.00 0.57 O ATOM 1094 CB LYS A 74 5.482 -4.905 3.993 1.00 0.50 C ATOM 1095 CG LYS A 74 6.069 -4.054 5.099 1.00 1.17 C ATOM 1096 CD LYS A 74 5.385 -2.704 5.184 1.00 1.08 C ATOM 1097 CE LYS A 74 5.821 -1.934 6.419 1.00 1.83 C ATOM 1098 NZ LYS A 74 5.172 -0.597 6.498 1.00 2.52 N ATOM 0 H LYS A 74 7.817 -5.518 4.554 1.00 0.42 H new ATOM 0 HA LYS A 74 5.363 -6.931 4.692 1.00 0.46 H new ATOM 0 HB2 LYS A 74 5.725 -4.452 3.032 1.00 0.50 H new ATOM 0 HB3 LYS A 74 4.396 -4.901 4.082 1.00 0.50 H new ATOM 0 HG2 LYS A 74 5.969 -4.574 6.052 1.00 1.17 H new ATOM 0 HG3 LYS A 74 7.135 -3.912 4.923 1.00 1.17 H new ATOM 0 HD2 LYS A 74 5.615 -2.122 4.291 1.00 1.08 H new ATOM 0 HD3 LYS A 74 4.304 -2.844 5.204 1.00 1.08 H new ATOM 0 HE2 LYS A 74 5.575 -2.510 7.311 1.00 1.83 H new ATOM 0 HE3 LYS A 74 6.904 -1.812 6.407 1.00 1.83 H new ATOM 0 HZ1 LYS A 74 5.496 -0.104 7.354 1.00 2.52 H new ATOM 0 HZ2 LYS A 74 5.427 -0.037 5.659 1.00 2.52 H new ATOM 0 HZ3 LYS A 74 4.139 -0.714 6.536 1.00 2.52 H new ATOM 1112 N GLN A 75 6.687 -6.440 1.689 1.00 0.45 N ATOM 1113 CA GLN A 75 6.693 -6.901 0.303 1.00 0.50 C ATOM 1114 C GLN A 75 6.927 -8.412 0.209 1.00 0.52 C ATOM 1115 O GLN A 75 6.519 -9.047 -0.763 1.00 0.67 O ATOM 1116 CB GLN A 75 7.753 -6.138 -0.498 1.00 0.50 C ATOM 1117 CG GLN A 75 7.333 -4.717 -0.838 1.00 0.76 C ATOM 1118 CD GLN A 75 8.504 -3.757 -0.903 1.00 0.66 C ATOM 1119 OE1 GLN A 75 9.493 -3.916 -0.190 1.00 1.60 O ATOM 1120 NE2 GLN A 75 8.394 -2.751 -1.761 1.00 0.86 N ATOM 0 H GLN A 75 7.373 -5.713 1.891 1.00 0.45 H new ATOM 0 HA GLN A 75 5.710 -6.699 -0.123 1.00 0.50 H new ATOM 0 HB2 GLN A 75 8.681 -6.110 0.073 1.00 0.50 H new ATOM 0 HB3 GLN A 75 7.963 -6.679 -1.420 1.00 0.50 H new ATOM 0 HG2 GLN A 75 6.815 -4.716 -1.797 1.00 0.76 H new ATOM 0 HG3 GLN A 75 6.622 -4.365 -0.091 1.00 0.76 H new ATOM 0 HE21 GLN A 75 7.555 -2.658 -2.333 1.00 0.86 H new ATOM 0 HE22 GLN A 75 9.149 -2.071 -1.849 1.00 0.86 H new ATOM 1129 N MET A 76 7.582 -8.982 1.219 1.00 0.55 N ATOM 1130 CA MET A 76 7.851 -10.415 1.247 1.00 0.66 C ATOM 1131 C MET A 76 6.558 -11.179 1.499 1.00 0.71 C ATOM 1132 O MET A 76 6.228 -12.125 0.784 1.00 0.83 O ATOM 1133 CB MET A 76 8.871 -10.747 2.341 1.00 0.87 C ATOM 1134 CG MET A 76 10.233 -10.100 2.140 1.00 1.02 C ATOM 1135 SD MET A 76 11.471 -11.247 1.506 1.00 1.03 S ATOM 1136 CE MET A 76 12.913 -10.186 1.462 1.00 0.64 C ATOM 0 H MET A 76 7.936 -8.471 2.028 1.00 0.55 H new ATOM 0 HA MET A 76 8.263 -10.711 0.282 1.00 0.66 H new ATOM 0 HB2 MET A 76 8.470 -10.431 3.304 1.00 0.87 H new ATOM 0 HB3 MET A 76 8.998 -11.829 2.388 1.00 0.87 H new ATOM 0 HG2 MET A 76 10.133 -9.263 1.449 1.00 1.02 H new ATOM 0 HG3 MET A 76 10.578 -9.690 3.089 1.00 1.02 H new ATOM 0 HE1 MET A 76 13.805 -10.776 1.672 1.00 0.64 H new ATOM 0 HE2 MET A 76 13.002 -9.733 0.474 1.00 0.64 H new ATOM 0 HE3 MET A 76 12.811 -9.402 2.213 1.00 0.64 H new ATOM 1240 N GLU A 83 -3.121 -3.403 2.164 1.00 7.37 N ATOM 1241 CA GLU A 83 -3.339 -2.344 3.144 1.00 8.31 C ATOM 1242 C GLU A 83 -4.815 -1.962 3.212 1.00 8.90 C ATOM 1243 O GLU A 83 -5.329 -1.616 4.276 1.00 9.79 O ATOM 1244 CB GLU A 83 -2.499 -1.114 2.795 1.00 8.42 C ATOM 1245 CG GLU A 83 -1.009 -1.400 2.703 1.00 8.14 C ATOM 1246 CD GLU A 83 -0.197 -0.160 2.381 1.00 8.51 C ATOM 1247 OE1 GLU A 83 0.111 0.607 3.318 1.00 8.45 O ATOM 1248 OE2 GLU A 83 0.129 0.044 1.193 1.00 9.06 O ATOM 0 HA GLU A 83 -3.032 -2.719 4.120 1.00 8.31 H new ATOM 0 HB2 GLU A 83 -2.842 -0.709 1.843 1.00 8.42 H new ATOM 0 HB3 GLU A 83 -2.667 -0.344 3.548 1.00 8.42 H new ATOM 0 HG2 GLU A 83 -0.664 -1.821 3.648 1.00 8.14 H new ATOM 0 HG3 GLU A 83 -0.834 -2.154 1.936 1.00 8.14 H new ATOM 1255 N GLU A 84 -5.489 -2.035 2.069 1.00 8.58 N ATOM 1256 CA GLU A 84 -6.906 -1.695 1.994 1.00 9.37 C ATOM 1257 C GLU A 84 -7.772 -2.852 2.487 1.00 9.77 C ATOM 1258 O GLU A 84 -8.946 -2.669 2.811 1.00 10.65 O ATOM 1259 CB GLU A 84 -7.286 -1.328 0.556 1.00 9.24 C ATOM 1260 CG GLU A 84 -8.738 -0.904 0.396 1.00 9.88 C ATOM 1261 CD GLU A 84 -9.097 0.291 1.259 1.00 10.30 C ATOM 1262 OE1 GLU A 84 -8.923 1.435 0.789 1.00 10.72 O ATOM 1263 OE2 GLU A 84 -9.554 0.081 2.402 1.00 10.41 O ATOM 0 H GLU A 84 -5.078 -2.326 1.182 1.00 8.58 H new ATOM 0 HA GLU A 84 -7.084 -0.835 2.640 1.00 9.37 H new ATOM 0 HB2 GLU A 84 -6.641 -0.519 0.214 1.00 9.24 H new ATOM 0 HB3 GLU A 84 -7.093 -2.184 -0.091 1.00 9.24 H new ATOM 0 HG2 GLU A 84 -8.929 -0.662 -0.650 1.00 9.88 H new ATOM 0 HG3 GLU A 84 -9.387 -1.741 0.653 1.00 9.88 H new ATOM 1270 N MET A 85 -7.181 -4.041 2.555 1.00 9.28 N ATOM 1271 CA MET A 85 -7.903 -5.224 3.003 1.00 9.90 C ATOM 1272 C MET A 85 -7.954 -5.245 4.519 1.00 10.59 C ATOM 1273 O MET A 85 -9.014 -5.418 5.120 1.00 11.45 O ATOM 1274 CB MET A 85 -7.235 -6.494 2.473 1.00 9.48 C ATOM 1275 CG MET A 85 -6.974 -6.459 0.978 1.00 8.93 C ATOM 1276 SD MET A 85 -6.064 -7.899 0.391 1.00 8.96 S ATOM 1277 CE MET A 85 -7.202 -9.210 0.820 1.00 9.60 C ATOM 0 H MET A 85 -6.206 -4.209 2.306 1.00 9.28 H new ATOM 0 HA MET A 85 -8.920 -5.188 2.612 1.00 9.90 H new ATOM 0 HB2 MET A 85 -6.290 -6.644 2.996 1.00 9.48 H new ATOM 0 HB3 MET A 85 -7.867 -7.352 2.704 1.00 9.48 H new ATOM 0 HG2 MET A 85 -7.925 -6.397 0.450 1.00 8.93 H new ATOM 0 HG3 MET A 85 -6.414 -5.557 0.733 1.00 8.93 H new ATOM 0 HE1 MET A 85 -6.941 -10.113 0.268 1.00 9.60 H new ATOM 0 HE2 MET A 85 -7.142 -9.409 1.890 1.00 9.60 H new ATOM 0 HE3 MET A 85 -8.218 -8.909 0.564 1.00 9.60 H new ATOM 1287 N ARG A 86 -6.790 -5.065 5.129 1.00 10.35 N ATOM 1288 CA ARG A 86 -6.678 -5.034 6.575 1.00 11.19 C ATOM 1289 C ARG A 86 -7.446 -3.840 7.125 1.00 11.96 C ATOM 1290 O ARG A 86 -8.043 -3.912 8.199 1.00 12.88 O ATOM 1291 CB ARG A 86 -5.207 -4.959 6.977 1.00 10.99 C ATOM 1292 CG ARG A 86 -4.980 -4.625 8.438 1.00 11.99 C ATOM 1293 CD ARG A 86 -5.434 -5.747 9.357 1.00 12.13 C ATOM 1294 NE ARG A 86 -5.307 -5.383 10.766 1.00 12.84 N ATOM 1295 CZ ARG A 86 -4.681 -6.132 11.670 1.00 13.32 C ATOM 1296 NH1 ARG A 86 -4.124 -7.283 11.315 1.00 13.18 N ATOM 1297 NH2 ARG A 86 -4.613 -5.729 12.932 1.00 14.09 N ATOM 0 H ARG A 86 -5.906 -4.938 4.637 1.00 10.35 H new ATOM 0 HA ARG A 86 -7.106 -5.945 6.993 1.00 11.19 H new ATOM 0 HB2 ARG A 86 -4.732 -5.915 6.756 1.00 10.99 H new ATOM 0 HB3 ARG A 86 -4.712 -4.207 6.362 1.00 10.99 H new ATOM 0 HG2 ARG A 86 -3.921 -4.427 8.604 1.00 11.99 H new ATOM 0 HG3 ARG A 86 -5.519 -3.711 8.689 1.00 11.99 H new ATOM 0 HD2 ARG A 86 -6.472 -5.997 9.139 1.00 12.13 H new ATOM 0 HD3 ARG A 86 -4.842 -6.641 9.158 1.00 12.13 H new ATOM 0 HE ARG A 86 -5.722 -4.504 11.075 1.00 12.84 H new ATOM 0 HH11 ARG A 86 -4.175 -7.597 10.346 1.00 13.18 H new ATOM 0 HH12 ARG A 86 -3.645 -7.854 12.011 1.00 13.18 H new ATOM 0 HH21 ARG A 86 -5.041 -4.845 13.209 1.00 14.09 H new ATOM 0 HH22 ARG A 86 -4.133 -6.303 13.625 1.00 14.09 H new ATOM 1311 N GLU A 87 -7.422 -2.737 6.380 1.00 11.71 N ATOM 1312 CA GLU A 87 -8.136 -1.535 6.782 1.00 12.58 C ATOM 1313 C GLU A 87 -9.632 -1.815 6.798 1.00 13.20 C ATOM 1314 O GLU A 87 -10.346 -1.398 7.711 1.00 14.14 O ATOM 1315 CB GLU A 87 -7.823 -0.380 5.829 1.00 12.36 C ATOM 1316 CG GLU A 87 -8.467 0.937 6.237 1.00 12.89 C ATOM 1317 CD GLU A 87 -8.135 2.067 5.282 1.00 13.23 C ATOM 1318 OE1 GLU A 87 -8.863 2.228 4.279 1.00 13.40 O ATOM 1319 OE2 GLU A 87 -7.149 2.789 5.536 1.00 13.47 O ATOM 0 H GLU A 87 -6.917 -2.654 5.498 1.00 11.71 H new ATOM 0 HA GLU A 87 -7.812 -1.248 7.782 1.00 12.58 H new ATOM 0 HB2 GLU A 87 -6.743 -0.246 5.776 1.00 12.36 H new ATOM 0 HB3 GLU A 87 -8.160 -0.645 4.827 1.00 12.36 H new ATOM 0 HG2 GLU A 87 -9.549 0.810 6.282 1.00 12.89 H new ATOM 0 HG3 GLU A 87 -8.135 1.204 7.240 1.00 12.89 H new ATOM 1326 N ALA A 88 -10.097 -2.528 5.774 1.00 12.78 N ATOM 1327 CA ALA A 88 -11.503 -2.890 5.672 1.00 13.49 C ATOM 1328 C ALA A 88 -11.887 -3.815 6.818 1.00 14.13 C ATOM 1329 O ALA A 88 -13.011 -3.773 7.318 1.00 15.06 O ATOM 1330 CB ALA A 88 -11.783 -3.554 4.332 1.00 13.06 C ATOM 0 H ALA A 88 -9.518 -2.865 5.005 1.00 12.78 H new ATOM 0 HA ALA A 88 -12.106 -1.984 5.738 1.00 13.49 H new ATOM 0 HB1 ALA A 88 -12.839 -3.819 4.271 1.00 13.06 H new ATOM 0 HB2 ALA A 88 -11.535 -2.864 3.525 1.00 13.06 H new ATOM 0 HB3 ALA A 88 -11.177 -4.455 4.239 1.00 13.06 H new ATOM 1336 N PHE A 89 -10.937 -4.656 7.225 1.00 13.73 N ATOM 1337 CA PHE A 89 -11.158 -5.585 8.324 1.00 14.46 C ATOM 1338 C PHE A 89 -11.471 -4.815 9.604 1.00 15.32 C ATOM 1339 O PHE A 89 -12.360 -5.192 10.368 1.00 16.24 O ATOM 1340 CB PHE A 89 -9.921 -6.470 8.520 1.00 14.00 C ATOM 1341 CG PHE A 89 -9.798 -7.051 9.900 1.00 14.89 C ATOM 1342 CD1 PHE A 89 -10.501 -8.191 10.251 1.00 15.46 C ATOM 1343 CD2 PHE A 89 -8.982 -6.452 10.847 1.00 15.30 C ATOM 1344 CE1 PHE A 89 -10.391 -8.723 11.522 1.00 16.38 C ATOM 1345 CE2 PHE A 89 -8.871 -6.978 12.119 1.00 16.22 C ATOM 1346 CZ PHE A 89 -9.576 -8.115 12.456 1.00 16.75 C ATOM 0 H PHE A 89 -10.008 -4.710 6.808 1.00 13.73 H new ATOM 0 HA PHE A 89 -12.009 -6.223 8.085 1.00 14.46 H new ATOM 0 HB2 PHE A 89 -9.951 -7.284 7.796 1.00 14.00 H new ATOM 0 HB3 PHE A 89 -9.029 -5.883 8.303 1.00 14.00 H new ATOM 0 HD1 PHE A 89 -11.141 -8.669 9.525 1.00 15.46 H new ATOM 0 HD2 PHE A 89 -8.426 -5.563 10.587 1.00 15.30 H new ATOM 0 HE1 PHE A 89 -10.942 -9.614 11.784 1.00 16.38 H new ATOM 0 HE2 PHE A 89 -8.234 -6.500 12.848 1.00 16.22 H new ATOM 0 HZ PHE A 89 -9.490 -8.529 13.450 1.00 16.75 H new ATOM 1356 N LYS A 90 -10.733 -3.732 9.822 1.00 15.11 N ATOM 1357 CA LYS A 90 -10.925 -2.894 11.000 1.00 16.01 C ATOM 1358 C LYS A 90 -12.331 -2.305 11.015 1.00 16.75 C ATOM 1359 O LYS A 90 -13.009 -2.318 12.043 1.00 17.70 O ATOM 1360 CB LYS A 90 -9.893 -1.766 11.028 1.00 15.74 C ATOM 1361 CG LYS A 90 -8.453 -2.252 11.041 1.00 15.19 C ATOM 1362 CD LYS A 90 -7.475 -1.093 11.023 1.00 15.14 C ATOM 1363 CE LYS A 90 -6.049 -1.564 10.786 1.00 14.45 C ATOM 1364 NZ LYS A 90 -5.573 -2.469 11.869 1.00 14.90 N ATOM 0 H LYS A 90 -9.994 -3.413 9.196 1.00 15.11 H new ATOM 0 HA LYS A 90 -10.794 -3.517 11.884 1.00 16.01 H new ATOM 0 HB2 LYS A 90 -10.043 -1.127 10.158 1.00 15.74 H new ATOM 0 HB3 LYS A 90 -10.066 -1.149 11.910 1.00 15.74 H new ATOM 0 HG2 LYS A 90 -8.281 -2.861 11.929 1.00 15.19 H new ATOM 0 HG3 LYS A 90 -8.276 -2.892 10.177 1.00 15.19 H new ATOM 0 HD2 LYS A 90 -7.760 -0.388 10.242 1.00 15.14 H new ATOM 0 HD3 LYS A 90 -7.528 -0.557 11.971 1.00 15.14 H new ATOM 0 HE2 LYS A 90 -5.993 -2.083 9.829 1.00 14.45 H new ATOM 0 HE3 LYS A 90 -5.388 -0.700 10.719 1.00 14.45 H new ATOM 0 HZ1 LYS A 90 -4.645 -2.860 11.611 1.00 14.90 H new ATOM 0 HZ2 LYS A 90 -5.489 -1.934 12.757 1.00 14.90 H new ATOM 0 HZ3 LYS A 90 -6.253 -3.246 11.996 1.00 14.90 H new ATOM 1378 N ILE A 91 -12.759 -1.786 9.868 1.00 16.40 N ATOM 1379 CA ILE A 91 -14.084 -1.193 9.741 1.00 17.17 C ATOM 1380 C ILE A 91 -15.170 -2.177 10.157 1.00 17.84 C ATOM 1381 O ILE A 91 -16.076 -1.832 10.916 1.00 18.78 O ATOM 1382 CB ILE A 91 -14.351 -0.732 8.295 1.00 16.77 C ATOM 1383 CG1 ILE A 91 -13.228 0.194 7.816 1.00 16.16 C ATOM 1384 CG2 ILE A 91 -15.703 -0.038 8.195 1.00 17.75 C ATOM 1385 CD1 ILE A 91 -13.116 1.483 8.605 1.00 16.20 C ATOM 0 H ILE A 91 -12.205 -1.765 9.012 1.00 16.40 H new ATOM 0 HA ILE A 91 -14.111 -0.328 10.404 1.00 17.17 H new ATOM 0 HB ILE A 91 -14.372 -1.610 7.649 1.00 16.77 H new ATOM 0 HG12 ILE A 91 -12.280 -0.340 7.875 1.00 16.16 H new ATOM 0 HG13 ILE A 91 -13.393 0.435 6.766 1.00 16.16 H new ATOM 0 HG21 ILE A 91 -15.873 0.280 7.167 1.00 17.75 H new ATOM 0 HG22 ILE A 91 -16.490 -0.729 8.496 1.00 17.75 H new ATOM 0 HG23 ILE A 91 -15.714 0.833 8.851 1.00 17.75 H new ATOM 0 HD11 ILE A 91 -12.299 2.084 8.206 1.00 16.20 H new ATOM 0 HD12 ILE A 91 -14.049 2.041 8.525 1.00 16.20 H new ATOM 0 HD13 ILE A 91 -12.919 1.253 9.652 1.00 16.20 H new ATOM 1397 N PHE A 92 -15.075 -3.407 9.658 1.00 17.43 N ATOM 1398 CA PHE A 92 -16.057 -4.433 9.981 1.00 18.14 C ATOM 1399 C PHE A 92 -15.933 -4.872 11.437 1.00 18.80 C ATOM 1400 O PHE A 92 -16.870 -5.434 12.005 1.00 19.63 O ATOM 1401 CB PHE A 92 -15.915 -5.633 9.042 1.00 17.63 C ATOM 1402 CG PHE A 92 -16.746 -5.505 7.798 1.00 17.41 C ATOM 1403 CD1 PHE A 92 -16.295 -4.755 6.724 1.00 17.64 C ATOM 1404 CD2 PHE A 92 -17.970 -6.145 7.696 1.00 17.12 C ATOM 1405 CE1 PHE A 92 -17.050 -4.646 5.572 1.00 17.60 C ATOM 1406 CE2 PHE A 92 -18.730 -6.040 6.547 1.00 17.07 C ATOM 1407 CZ PHE A 92 -18.299 -5.247 5.509 1.00 17.34 C ATOM 0 H PHE A 92 -14.331 -3.714 9.032 1.00 17.43 H new ATOM 0 HA PHE A 92 -17.049 -4.003 9.842 1.00 18.14 H new ATOM 0 HB2 PHE A 92 -14.868 -5.747 8.763 1.00 17.63 H new ATOM 0 HB3 PHE A 92 -16.204 -6.540 9.574 1.00 17.63 H new ATOM 0 HD1 PHE A 92 -15.343 -4.250 6.788 1.00 17.64 H new ATOM 0 HD2 PHE A 92 -18.335 -6.733 8.525 1.00 17.12 H new ATOM 0 HE1 PHE A 92 -16.670 -4.095 4.724 1.00 17.60 H new ATOM 0 HE2 PHE A 92 -19.662 -6.580 6.464 1.00 17.07 H new ATOM 0 HZ PHE A 92 -18.931 -5.093 4.647 1.00 17.34 H new ATOM 1417 N ASP A 93 -14.775 -4.613 12.037 1.00 18.51 N ATOM 1418 CA ASP A 93 -14.548 -4.968 13.433 1.00 19.23 C ATOM 1419 C ASP A 93 -14.998 -3.827 14.337 1.00 19.92 C ATOM 1420 O ASP A 93 -14.225 -2.924 14.654 1.00 19.65 O ATOM 1421 CB ASP A 93 -13.073 -5.296 13.676 1.00 18.69 C ATOM 1422 CG ASP A 93 -12.823 -5.840 15.070 1.00 19.57 C ATOM 1423 OD1 ASP A 93 -13.784 -6.337 15.699 1.00 20.02 O ATOM 1424 OD2 ASP A 93 -11.664 -5.772 15.533 1.00 19.89 O ATOM 0 H ASP A 93 -13.983 -4.161 11.580 1.00 18.51 H new ATOM 0 HA ASP A 93 -15.134 -5.857 13.667 1.00 19.23 H new ATOM 0 HB2 ASP A 93 -12.740 -6.027 12.939 1.00 18.69 H new ATOM 0 HB3 ASP A 93 -12.475 -4.397 13.527 1.00 18.69 H new ATOM 1429 N ARG A 94 -16.260 -3.882 14.746 1.00 20.90 N ATOM 1430 CA ARG A 94 -16.851 -2.853 15.594 1.00 21.70 C ATOM 1431 C ARG A 94 -16.214 -2.820 16.983 1.00 22.13 C ATOM 1432 O ARG A 94 -16.597 -2.010 17.828 1.00 22.63 O ATOM 1433 CB ARG A 94 -18.355 -3.088 15.710 1.00 22.67 C ATOM 1434 CG ARG A 94 -19.012 -3.382 14.371 1.00 22.53 C ATOM 1435 CD ARG A 94 -20.525 -3.307 14.462 1.00 22.13 C ATOM 1436 NE ARG A 94 -21.058 -4.179 15.504 1.00 22.41 N ATOM 1437 CZ ARG A 94 -22.136 -3.891 16.228 1.00 22.68 C ATOM 1438 NH1 ARG A 94 -22.794 -2.756 16.024 1.00 22.72 N ATOM 1439 NH2 ARG A 94 -22.557 -4.739 17.155 1.00 23.01 N ATOM 0 H ARG A 94 -16.900 -4.637 14.501 1.00 20.90 H new ATOM 0 HA ARG A 94 -16.663 -1.886 15.128 1.00 21.70 H new ATOM 0 HB2 ARG A 94 -18.536 -3.921 16.389 1.00 22.67 H new ATOM 0 HB3 ARG A 94 -18.822 -2.208 16.153 1.00 22.67 H new ATOM 0 HG2 ARG A 94 -18.656 -2.670 13.626 1.00 22.53 H new ATOM 0 HG3 ARG A 94 -18.716 -4.374 14.030 1.00 22.53 H new ATOM 0 HD2 ARG A 94 -20.825 -2.278 14.663 1.00 22.13 H new ATOM 0 HD3 ARG A 94 -20.959 -3.584 13.501 1.00 22.13 H new ATOM 0 HE ARG A 94 -20.576 -5.059 15.687 1.00 22.41 H new ATOM 0 HH11 ARG A 94 -22.473 -2.102 15.310 1.00 22.72 H new ATOM 0 HH12 ARG A 94 -23.620 -2.538 16.581 1.00 22.72 H new ATOM 0 HH21 ARG A 94 -22.054 -5.612 17.313 1.00 23.01 H new ATOM 0 HH22 ARG A 94 -23.384 -4.518 17.710 1.00 23.01 H new ATOM 1453 N ASP A 95 -15.242 -3.697 17.216 1.00 22.06 N ATOM 1454 CA ASP A 95 -14.560 -3.752 18.505 1.00 22.57 C ATOM 1455 C ASP A 95 -13.047 -3.756 18.321 1.00 21.80 C ATOM 1456 O ASP A 95 -12.545 -3.866 17.202 1.00 20.81 O ATOM 1457 CB ASP A 95 -14.979 -5.001 19.280 1.00 23.28 C ATOM 1458 CG ASP A 95 -16.469 -5.264 19.205 1.00 23.89 C ATOM 1459 OD1 ASP A 95 -17.244 -4.400 19.665 1.00 24.34 O ATOM 1460 OD2 ASP A 95 -16.861 -6.330 18.686 1.00 24.00 O ATOM 0 H ASP A 95 -14.910 -4.377 16.532 1.00 22.06 H new ATOM 0 HA ASP A 95 -14.845 -2.864 19.069 1.00 22.57 H new ATOM 0 HB2 ASP A 95 -14.442 -5.864 18.887 1.00 23.28 H new ATOM 0 HB3 ASP A 95 -14.686 -4.891 20.324 1.00 23.28 H new ATOM 1465 N GLY A 96 -12.328 -3.630 19.431 1.00 22.31 N ATOM 1466 CA GLY A 96 -10.877 -3.638 19.387 1.00 21.77 C ATOM 1467 C GLY A 96 -10.314 -4.992 19.768 1.00 21.93 C ATOM 1468 O GLY A 96 -9.100 -5.160 19.888 1.00 21.68 O ATOM 0 H GLY A 96 -12.726 -3.522 20.364 1.00 22.31 H new ATOM 0 HA2 GLY A 96 -10.542 -3.373 18.384 1.00 21.77 H new ATOM 0 HA3 GLY A 96 -10.488 -2.878 20.064 1.00 21.77 H new ATOM 1472 N ASP A 97 -11.210 -5.956 19.962 1.00 22.44 N ATOM 1473 CA ASP A 97 -10.824 -7.313 20.337 1.00 22.79 C ATOM 1474 C ASP A 97 -9.824 -7.906 19.347 1.00 21.82 C ATOM 1475 O ASP A 97 -8.905 -8.625 19.739 1.00 22.02 O ATOM 1476 CB ASP A 97 -12.068 -8.204 20.427 1.00 23.40 C ATOM 1477 CG ASP A 97 -13.051 -7.952 19.296 1.00 22.73 C ATOM 1478 OD1 ASP A 97 -12.604 -7.631 18.177 1.00 22.35 O ATOM 1479 OD2 ASP A 97 -14.272 -8.073 19.531 1.00 22.66 O ATOM 0 H ASP A 97 -12.216 -5.820 19.865 1.00 22.44 H new ATOM 0 HA ASP A 97 -10.339 -7.267 21.312 1.00 22.79 H new ATOM 0 HB2 ASP A 97 -11.763 -9.250 20.412 1.00 23.40 H new ATOM 0 HB3 ASP A 97 -12.566 -8.031 21.381 1.00 23.40 H new ATOM 1484 N GLY A 98 -10.009 -7.604 18.066 1.00 20.85 N ATOM 1485 CA GLY A 98 -9.118 -8.121 17.045 1.00 19.90 C ATOM 1486 C GLY A 98 -9.804 -9.125 16.144 1.00 19.67 C ATOM 1487 O GLY A 98 -9.197 -9.652 15.212 1.00 18.98 O ATOM 0 H GLY A 98 -10.761 -7.010 17.717 1.00 20.85 H new ATOM 0 HA2 GLY A 98 -8.739 -7.295 16.443 1.00 19.90 H new ATOM 0 HA3 GLY A 98 -8.257 -8.591 17.520 1.00 19.90 H new ATOM 1491 N PHE A 99 -11.075 -9.396 16.430 1.00 20.36 N ATOM 1492 CA PHE A 99 -11.856 -10.341 15.641 1.00 20.37 C ATOM 1493 C PHE A 99 -13.270 -9.807 15.410 1.00 20.60 C ATOM 1494 O PHE A 99 -13.759 -8.971 16.174 1.00 21.08 O ATOM 1495 CB PHE A 99 -11.909 -11.711 16.320 1.00 21.34 C ATOM 1496 CG PHE A 99 -10.599 -12.149 16.911 1.00 21.51 C ATOM 1497 CD1 PHE A 99 -9.555 -12.550 16.093 1.00 21.92 C ATOM 1498 CD2 PHE A 99 -10.412 -12.157 18.283 1.00 21.38 C ATOM 1499 CE1 PHE A 99 -8.348 -12.951 16.633 1.00 22.21 C ATOM 1500 CE2 PHE A 99 -9.208 -12.558 18.830 1.00 21.65 C ATOM 1501 CZ PHE A 99 -8.177 -12.965 18.003 1.00 22.08 C ATOM 0 H PHE A 99 -11.586 -8.973 17.205 1.00 20.36 H new ATOM 0 HA PHE A 99 -11.365 -10.459 14.675 1.00 20.37 H new ATOM 0 HB2 PHE A 99 -12.662 -11.686 17.108 1.00 21.34 H new ATOM 0 HB3 PHE A 99 -12.234 -12.454 15.592 1.00 21.34 H new ATOM 0 HD1 PHE A 99 -9.686 -12.549 15.021 1.00 21.92 H new ATOM 0 HD2 PHE A 99 -11.216 -11.846 18.933 1.00 21.38 H new ATOM 0 HE1 PHE A 99 -7.539 -13.253 15.984 1.00 22.21 H new ATOM 0 HE2 PHE A 99 -9.072 -12.554 19.901 1.00 21.65 H new ATOM 0 HZ PHE A 99 -7.240 -13.293 18.428 1.00 22.08 H new ATOM 1511 N ILE A 100 -13.924 -10.292 14.357 1.00 20.36 N ATOM 1512 CA ILE A 100 -15.272 -9.840 14.019 1.00 20.66 C ATOM 1513 C ILE A 100 -16.305 -10.949 14.195 1.00 21.62 C ATOM 1514 O ILE A 100 -16.037 -12.116 13.913 1.00 21.77 O ATOM 1515 CB ILE A 100 -15.334 -9.337 12.564 1.00 19.72 C ATOM 1516 CG1 ILE A 100 -14.173 -8.384 12.279 1.00 18.71 C ATOM 1517 CG2 ILE A 100 -16.668 -8.652 12.297 1.00 20.15 C ATOM 1518 CD1 ILE A 100 -14.014 -8.044 10.813 1.00 17.74 C ATOM 0 H ILE A 100 -13.544 -10.996 13.724 1.00 20.36 H new ATOM 0 HA ILE A 100 -15.507 -9.026 14.705 1.00 20.66 H new ATOM 0 HB ILE A 100 -15.247 -10.194 11.896 1.00 19.72 H new ATOM 0 HG12 ILE A 100 -14.323 -7.463 12.843 1.00 18.71 H new ATOM 0 HG13 ILE A 100 -13.248 -8.833 12.642 1.00 18.71 H new ATOM 0 HG21 ILE A 100 -16.697 -8.302 11.265 1.00 20.15 H new ATOM 0 HG22 ILE A 100 -17.480 -9.360 12.463 1.00 20.15 H new ATOM 0 HG23 ILE A 100 -16.783 -7.803 12.971 1.00 20.15 H new ATOM 0 HD11 ILE A 100 -13.171 -7.364 10.686 1.00 17.74 H new ATOM 0 HD12 ILE A 100 -13.832 -8.957 10.245 1.00 17.74 H new ATOM 0 HD13 ILE A 100 -14.924 -7.566 10.450 1.00 17.74 H new ATOM 1530 N SER A 101 -17.492 -10.566 14.659 1.00 22.35 N ATOM 1531 CA SER A 101 -18.582 -11.512 14.874 1.00 23.35 C ATOM 1532 C SER A 101 -19.749 -11.214 13.932 1.00 23.43 C ATOM 1533 O SER A 101 -19.892 -10.085 13.466 1.00 22.96 O ATOM 1534 CB SER A 101 -19.055 -11.458 16.329 1.00 24.38 C ATOM 1535 OG SER A 101 -18.041 -11.903 17.213 1.00 24.61 O ATOM 0 H SER A 101 -17.723 -9.601 14.894 1.00 22.35 H new ATOM 0 HA SER A 101 -18.211 -12.514 14.661 1.00 23.35 H new ATOM 0 HB2 SER A 101 -19.341 -10.438 16.584 1.00 24.38 H new ATOM 0 HB3 SER A 101 -19.944 -12.078 16.449 1.00 24.38 H new ATOM 0 HG SER A 101 -18.368 -11.857 18.136 1.00 24.61 H new ATOM 1541 N PRO A 102 -20.595 -12.221 13.633 1.00 24.11 N ATOM 1542 CA PRO A 102 -21.742 -12.047 12.735 1.00 24.36 C ATOM 1543 C PRO A 102 -22.526 -10.771 13.025 1.00 24.64 C ATOM 1544 O PRO A 102 -22.918 -10.053 12.107 1.00 24.44 O ATOM 1545 CB PRO A 102 -22.596 -13.281 13.017 1.00 25.42 C ATOM 1546 CG PRO A 102 -21.617 -14.324 13.434 1.00 25.38 C ATOM 1547 CD PRO A 102 -20.511 -13.599 14.155 1.00 24.81 C ATOM 0 HA PRO A 102 -21.435 -11.952 11.694 1.00 24.36 H new ATOM 0 HB2 PRO A 102 -23.327 -13.087 13.801 1.00 25.42 H new ATOM 0 HB3 PRO A 102 -23.152 -13.590 12.132 1.00 25.42 H new ATOM 0 HG2 PRO A 102 -22.087 -15.061 14.084 1.00 25.38 H new ATOM 0 HG3 PRO A 102 -21.230 -14.863 12.569 1.00 25.38 H new ATOM 0 HD2 PRO A 102 -20.652 -13.627 15.235 1.00 24.81 H new ATOM 0 HD3 PRO A 102 -19.539 -14.046 13.949 1.00 24.81 H new ATOM 1555 N ALA A 103 -22.743 -10.495 14.307 1.00 25.18 N ATOM 1556 CA ALA A 103 -23.477 -9.302 14.724 1.00 25.58 C ATOM 1557 C ALA A 103 -22.819 -8.042 14.175 1.00 24.70 C ATOM 1558 O ALA A 103 -23.487 -7.153 13.646 1.00 24.78 O ATOM 1559 CB ALA A 103 -23.540 -9.233 16.240 1.00 26.36 C ATOM 0 H ALA A 103 -22.421 -11.081 15.077 1.00 25.18 H new ATOM 0 HA ALA A 103 -24.489 -9.366 14.324 1.00 25.58 H new ATOM 0 HB1 ALA A 103 -24.089 -8.341 16.541 1.00 26.36 H new ATOM 0 HB2 ALA A 103 -24.048 -10.118 16.624 1.00 26.36 H new ATOM 0 HB3 ALA A 103 -22.529 -9.191 16.645 1.00 26.36 H new ATOM 1565 N GLU A 104 -21.502 -7.981 14.309 1.00 23.94 N ATOM 1566 CA GLU A 104 -20.728 -6.847 13.835 1.00 23.10 C ATOM 1567 C GLU A 104 -20.829 -6.746 12.323 1.00 22.34 C ATOM 1568 O GLU A 104 -21.198 -5.707 11.777 1.00 22.06 O ATOM 1569 CB GLU A 104 -19.265 -7.007 14.245 1.00 22.54 C ATOM 1570 CG GLU A 104 -19.030 -6.904 15.743 1.00 23.20 C ATOM 1571 CD GLU A 104 -17.587 -7.180 16.122 1.00 22.77 C ATOM 1572 OE1 GLU A 104 -16.747 -6.270 15.959 1.00 22.57 O ATOM 1573 OE2 GLU A 104 -17.298 -8.303 16.586 1.00 22.70 O ATOM 0 H GLU A 104 -20.944 -8.713 14.747 1.00 23.94 H new ATOM 0 HA GLU A 104 -21.127 -5.936 14.281 1.00 23.10 H new ATOM 0 HB2 GLU A 104 -18.904 -7.975 13.896 1.00 22.54 H new ATOM 0 HB3 GLU A 104 -18.671 -6.245 13.741 1.00 22.54 H new ATOM 0 HG2 GLU A 104 -19.308 -5.907 16.084 1.00 23.20 H new ATOM 0 HG3 GLU A 104 -19.680 -7.610 16.259 1.00 23.20 H new ATOM 1580 N LEU A 105 -20.503 -7.846 11.659 1.00 22.13 N ATOM 1581 CA LEU A 105 -20.556 -7.917 10.209 1.00 21.50 C ATOM 1582 C LEU A 105 -21.948 -7.545 9.709 1.00 22.09 C ATOM 1583 O LEU A 105 -22.116 -7.083 8.582 1.00 21.66 O ATOM 1584 CB LEU A 105 -20.199 -9.333 9.748 1.00 21.47 C ATOM 1585 CG LEU A 105 -19.874 -9.464 8.263 1.00 20.64 C ATOM 1586 CD1 LEU A 105 -18.799 -10.515 8.038 1.00 20.35 C ATOM 1587 CD2 LEU A 105 -21.129 -9.812 7.484 1.00 20.76 C ATOM 0 H LEU A 105 -20.196 -8.709 12.109 1.00 22.13 H new ATOM 0 HA LEU A 105 -19.837 -7.210 9.796 1.00 21.50 H new ATOM 0 HB2 LEU A 105 -19.342 -9.681 10.324 1.00 21.47 H new ATOM 0 HB3 LEU A 105 -21.032 -9.996 9.982 1.00 21.47 H new ATOM 0 HG LEU A 105 -19.493 -8.507 7.906 1.00 20.64 H new ATOM 0 HD11 LEU A 105 -18.583 -10.592 6.972 1.00 20.35 H new ATOM 0 HD12 LEU A 105 -17.893 -10.229 8.572 1.00 20.35 H new ATOM 0 HD13 LEU A 105 -19.149 -11.479 8.408 1.00 20.35 H new ATOM 0 HD21 LEU A 105 -20.886 -9.903 6.425 1.00 20.76 H new ATOM 0 HD22 LEU A 105 -21.532 -10.758 7.847 1.00 20.76 H new ATOM 0 HD23 LEU A 105 -21.871 -9.025 7.620 1.00 20.76 H new ATOM 1599 N ARG A 106 -22.937 -7.740 10.569 1.00 23.15 N ATOM 1600 CA ARG A 106 -24.327 -7.452 10.238 1.00 23.87 C ATOM 1601 C ARG A 106 -24.579 -5.952 10.123 1.00 23.93 C ATOM 1602 O ARG A 106 -25.135 -5.483 9.131 1.00 24.00 O ATOM 1603 CB ARG A 106 -25.238 -8.057 11.307 1.00 25.01 C ATOM 1604 CG ARG A 106 -26.615 -8.442 10.798 1.00 25.84 C ATOM 1605 CD ARG A 106 -27.571 -7.262 10.808 1.00 26.70 C ATOM 1606 NE ARG A 106 -28.058 -6.960 12.152 1.00 27.44 N ATOM 1607 CZ ARG A 106 -29.002 -6.061 12.408 1.00 28.28 C ATOM 1608 NH1 ARG A 106 -29.557 -5.375 11.417 1.00 28.51 N ATOM 1609 NH2 ARG A 106 -29.396 -5.848 13.656 1.00 28.96 N ATOM 0 H ARG A 106 -22.801 -8.101 11.513 1.00 23.15 H new ATOM 0 HA ARG A 106 -24.547 -7.897 9.268 1.00 23.87 H new ATOM 0 HB2 ARG A 106 -24.755 -8.941 11.723 1.00 25.01 H new ATOM 0 HB3 ARG A 106 -25.350 -7.342 12.122 1.00 25.01 H new ATOM 0 HG2 ARG A 106 -26.531 -8.833 9.784 1.00 25.84 H new ATOM 0 HG3 ARG A 106 -27.020 -9.243 11.416 1.00 25.84 H new ATOM 0 HD2 ARG A 106 -27.068 -6.385 10.400 1.00 26.70 H new ATOM 0 HD3 ARG A 106 -28.418 -7.476 10.156 1.00 26.70 H new ATOM 0 HE ARG A 106 -27.651 -7.468 12.937 1.00 27.44 H new ATOM 0 HH11 ARG A 106 -29.259 -5.537 10.455 1.00 28.51 H new ATOM 0 HH12 ARG A 106 -30.282 -4.686 11.617 1.00 28.51 H new ATOM 0 HH21 ARG A 106 -28.974 -6.375 14.421 1.00 28.96 H new ATOM 0 HH22 ARG A 106 -30.121 -5.157 13.851 1.00 28.96 H new ATOM 1623 N PHE A 107 -24.167 -5.204 11.142 1.00 24.01 N ATOM 1624 CA PHE A 107 -24.365 -3.757 11.160 1.00 24.21 C ATOM 1625 C PHE A 107 -23.455 -3.039 10.167 1.00 23.32 C ATOM 1626 O PHE A 107 -23.757 -1.926 9.736 1.00 23.61 O ATOM 1627 CB PHE A 107 -24.121 -3.207 12.566 1.00 24.45 C ATOM 1628 CG PHE A 107 -25.212 -3.538 13.545 1.00 25.01 C ATOM 1629 CD1 PHE A 107 -26.411 -2.845 13.527 1.00 25.30 C ATOM 1630 CD2 PHE A 107 -25.037 -4.546 14.480 1.00 25.33 C ATOM 1631 CE1 PHE A 107 -27.417 -3.152 14.425 1.00 25.91 C ATOM 1632 CE2 PHE A 107 -26.039 -4.858 15.379 1.00 25.94 C ATOM 1633 CZ PHE A 107 -27.228 -4.143 15.361 1.00 26.22 C ATOM 0 H PHE A 107 -23.694 -5.575 11.966 1.00 24.01 H new ATOM 0 HA PHE A 107 -25.397 -3.571 10.863 1.00 24.21 H new ATOM 0 HB2 PHE A 107 -23.177 -3.602 12.941 1.00 24.45 H new ATOM 0 HB3 PHE A 107 -24.014 -2.124 12.509 1.00 24.45 H new ATOM 0 HD1 PHE A 107 -26.562 -2.057 12.804 1.00 25.30 H new ATOM 0 HD2 PHE A 107 -24.107 -5.094 14.506 1.00 25.33 H new ATOM 0 HE1 PHE A 107 -28.352 -2.613 14.392 1.00 25.91 H new ATOM 0 HE2 PHE A 107 -25.897 -5.656 16.093 1.00 25.94 H new ATOM 0 HZ PHE A 107 -28.003 -4.364 16.080 1.00 26.22 H new ATOM 1643 N VAL A 108 -22.344 -3.672 9.804 1.00 22.31 N ATOM 1644 CA VAL A 108 -21.397 -3.060 8.877 1.00 21.42 C ATOM 1645 C VAL A 108 -21.835 -3.205 7.423 1.00 21.31 C ATOM 1646 O VAL A 108 -21.796 -2.237 6.664 1.00 21.31 O ATOM 1647 CB VAL A 108 -19.983 -3.638 9.044 1.00 20.36 C ATOM 1648 CG1 VAL A 108 -19.009 -2.926 8.115 1.00 19.77 C ATOM 1649 CG2 VAL A 108 -19.532 -3.519 10.492 1.00 20.26 C ATOM 0 H VAL A 108 -22.078 -4.600 10.134 1.00 22.31 H new ATOM 0 HA VAL A 108 -21.378 -1.999 9.127 1.00 21.42 H new ATOM 0 HB VAL A 108 -20.001 -4.695 8.777 1.00 20.36 H new ATOM 0 HG11 VAL A 108 -18.011 -3.345 8.244 1.00 19.77 H new ATOM 0 HG12 VAL A 108 -19.328 -3.060 7.081 1.00 19.77 H new ATOM 0 HG13 VAL A 108 -18.989 -1.863 8.354 1.00 19.77 H new ATOM 0 HG21 VAL A 108 -18.529 -3.932 10.596 1.00 20.26 H new ATOM 0 HG22 VAL A 108 -19.524 -2.469 10.786 1.00 20.26 H new ATOM 0 HG23 VAL A 108 -20.220 -4.070 11.134 1.00 20.26 H new ATOM 1659 N MET A 109 -22.238 -4.410 7.025 1.00 21.33 N ATOM 1660 CA MET A 109 -22.679 -4.637 5.652 1.00 21.35 C ATOM 1661 C MET A 109 -23.808 -3.679 5.290 1.00 22.24 C ATOM 1662 O MET A 109 -23.993 -3.336 4.124 1.00 22.21 O ATOM 1663 CB MET A 109 -23.125 -6.082 5.447 1.00 21.65 C ATOM 1664 CG MET A 109 -21.982 -7.081 5.509 1.00 20.93 C ATOM 1665 SD MET A 109 -22.317 -8.583 4.572 1.00 20.76 S ATOM 1666 CE MET A 109 -22.172 -7.966 2.898 1.00 21.25 C ATOM 0 H MET A 109 -22.268 -5.234 7.625 1.00 21.33 H new ATOM 0 HA MET A 109 -21.832 -4.448 4.993 1.00 21.35 H new ATOM 0 HB2 MET A 109 -23.863 -6.338 6.207 1.00 21.65 H new ATOM 0 HB3 MET A 109 -23.621 -6.168 4.480 1.00 21.65 H new ATOM 0 HG2 MET A 109 -21.075 -6.613 5.125 1.00 20.93 H new ATOM 0 HG3 MET A 109 -21.790 -7.342 6.550 1.00 20.93 H new ATOM 0 HE1 MET A 109 -23.077 -8.209 2.341 1.00 21.25 H new ATOM 0 HE2 MET A 109 -22.038 -6.884 2.919 1.00 21.25 H new ATOM 0 HE3 MET A 109 -21.312 -8.428 2.413 1.00 21.25 H new ATOM 1676 N ILE A 110 -24.557 -3.252 6.302 1.00 23.11 N ATOM 1677 CA ILE A 110 -25.654 -2.317 6.096 1.00 24.06 C ATOM 1678 C ILE A 110 -25.104 -0.921 5.828 1.00 23.82 C ATOM 1679 O ILE A 110 -25.698 -0.134 5.090 1.00 24.33 O ATOM 1680 CB ILE A 110 -26.592 -2.267 7.319 1.00 25.05 C ATOM 1681 CG1 ILE A 110 -27.110 -3.667 7.648 1.00 25.40 C ATOM 1682 CG2 ILE A 110 -27.750 -1.314 7.060 1.00 26.06 C ATOM 1683 CD1 ILE A 110 -27.722 -3.779 9.029 1.00 26.28 C ATOM 0 H ILE A 110 -24.423 -3.539 7.272 1.00 23.11 H new ATOM 0 HA ILE A 110 -26.227 -2.664 5.236 1.00 24.06 H new ATOM 0 HB ILE A 110 -26.029 -1.898 8.176 1.00 25.05 H new ATOM 0 HG12 ILE A 110 -27.855 -3.953 6.906 1.00 25.40 H new ATOM 0 HG13 ILE A 110 -26.288 -4.378 7.565 1.00 25.40 H new ATOM 0 HG21 ILE A 110 -28.403 -1.290 7.932 1.00 26.06 H new ATOM 0 HG22 ILE A 110 -27.362 -0.313 6.869 1.00 26.06 H new ATOM 0 HG23 ILE A 110 -28.315 -1.656 6.193 1.00 26.06 H new ATOM 0 HD11 ILE A 110 -28.067 -4.800 9.192 1.00 26.28 H new ATOM 0 HD12 ILE A 110 -26.974 -3.525 9.780 1.00 26.28 H new ATOM 0 HD13 ILE A 110 -28.565 -3.093 9.110 1.00 26.28 H new ATOM 1695 N ASN A 111 -23.959 -0.627 6.438 1.00 23.14 N ATOM 1696 CA ASN A 111 -23.304 0.663 6.270 1.00 22.94 C ATOM 1697 C ASN A 111 -22.874 0.860 4.822 1.00 22.38 C ATOM 1698 O ASN A 111 -22.841 1.984 4.319 1.00 22.72 O ATOM 1699 CB ASN A 111 -22.087 0.763 7.192 1.00 22.34 C ATOM 1700 CG ASN A 111 -22.473 0.762 8.659 1.00 23.08 C ATOM 1701 OD1 ASN A 111 -23.559 1.210 9.027 1.00 23.74 O ATOM 1702 ND2 ASN A 111 -21.581 0.262 9.507 1.00 23.04 N ATOM 0 H ASN A 111 -23.465 -1.270 7.056 1.00 23.14 H new ATOM 0 HA ASN A 111 -24.015 1.446 6.534 1.00 22.94 H new ATOM 0 HB2 ASN A 111 -21.415 -0.073 6.995 1.00 22.34 H new ATOM 0 HB3 ASN A 111 -21.536 1.675 6.964 1.00 22.34 H new ATOM 0 HD21 ASN A 111 -21.784 0.239 10.506 1.00 23.04 H new ATOM 0 HD22 ASN A 111 -20.693 -0.099 9.159 1.00 23.04 H new ATOM 1709 N LEU A 112 -22.547 -0.244 4.158 1.00 21.58 N ATOM 1710 CA LEU A 112 -22.119 -0.202 2.766 1.00 21.04 C ATOM 1711 C LEU A 112 -23.327 -0.244 1.836 1.00 21.87 C ATOM 1712 O LEU A 112 -23.211 0.013 0.637 1.00 21.84 O ATOM 1713 CB LEU A 112 -21.184 -1.376 2.463 1.00 20.05 C ATOM 1714 CG LEU A 112 -20.167 -1.699 3.561 1.00 19.21 C ATOM 1715 CD1 LEU A 112 -19.267 -2.846 3.131 1.00 19.02 C ATOM 1716 CD2 LEU A 112 -19.337 -0.470 3.907 1.00 18.68 C ATOM 0 H LEU A 112 -22.571 -1.180 4.563 1.00 21.58 H new ATOM 0 HA LEU A 112 -21.581 0.731 2.599 1.00 21.04 H new ATOM 0 HB2 LEU A 112 -21.789 -2.263 2.278 1.00 20.05 H new ATOM 0 HB3 LEU A 112 -20.644 -1.161 1.541 1.00 20.05 H new ATOM 0 HG LEU A 112 -20.713 -2.003 4.454 1.00 19.21 H new ATOM 0 HD11 LEU A 112 -18.550 -3.063 3.923 1.00 19.02 H new ATOM 0 HD12 LEU A 112 -19.873 -3.731 2.938 1.00 19.02 H new ATOM 0 HD13 LEU A 112 -18.732 -2.568 2.223 1.00 19.02 H new ATOM 0 HD21 LEU A 112 -18.621 -0.723 4.689 1.00 18.68 H new ATOM 0 HD22 LEU A 112 -18.801 -0.131 3.020 1.00 18.68 H new ATOM 0 HD23 LEU A 112 -19.994 0.325 4.260 1.00 18.68 H new ATOM 1728 N GLY A 113 -24.484 -0.571 2.402 1.00 22.70 N ATOM 1729 CA GLY A 113 -25.703 -0.641 1.616 1.00 23.62 C ATOM 1730 C GLY A 113 -26.092 -2.066 1.273 1.00 23.76 C ATOM 1731 O GLY A 113 -27.088 -2.296 0.588 1.00 24.44 O ATOM 0 H GLY A 113 -24.600 -0.789 3.392 1.00 22.70 H new ATOM 0 HA2 GLY A 113 -26.515 -0.169 2.169 1.00 23.62 H new ATOM 0 HA3 GLY A 113 -25.571 -0.072 0.696 1.00 23.62 H new ATOM 1735 N GLU A 114 -25.302 -3.025 1.748 1.00 23.22 N ATOM 1736 CA GLU A 114 -25.568 -4.436 1.489 1.00 23.41 C ATOM 1737 C GLU A 114 -26.508 -5.016 2.542 1.00 24.22 C ATOM 1738 O GLU A 114 -26.128 -5.183 3.701 1.00 24.14 O ATOM 1739 CB GLU A 114 -24.257 -5.226 1.470 1.00 22.59 C ATOM 1740 CG GLU A 114 -23.277 -4.757 0.407 1.00 21.89 C ATOM 1741 CD GLU A 114 -23.821 -4.912 -1.000 1.00 21.84 C ATOM 1742 OE1 GLU A 114 -23.607 -5.986 -1.603 1.00 21.76 O ATOM 1743 OE2 GLU A 114 -24.457 -3.960 -1.498 1.00 21.97 O ATOM 0 H GLU A 114 -24.472 -2.850 2.315 1.00 23.22 H new ATOM 0 HA GLU A 114 -26.050 -4.517 0.515 1.00 23.41 H new ATOM 0 HB2 GLU A 114 -23.783 -5.149 2.448 1.00 22.59 H new ATOM 0 HB3 GLU A 114 -24.481 -6.280 1.306 1.00 22.59 H new ATOM 0 HG2 GLU A 114 -23.030 -3.710 0.583 1.00 21.89 H new ATOM 0 HG3 GLU A 114 -22.350 -5.323 0.498 1.00 21.89 H new ATOM 1750 N LYS A 115 -27.736 -5.323 2.131 1.00 25.07 N ATOM 1751 CA LYS A 115 -28.727 -5.886 3.040 1.00 25.94 C ATOM 1752 C LYS A 115 -28.487 -7.381 3.233 1.00 25.87 C ATOM 1753 O LYS A 115 -28.584 -8.161 2.285 1.00 26.08 O ATOM 1754 CB LYS A 115 -30.142 -5.641 2.503 1.00 27.05 C ATOM 1755 CG LYS A 115 -31.243 -5.881 3.528 1.00 27.83 C ATOM 1756 CD LYS A 115 -31.667 -7.341 3.577 1.00 28.38 C ATOM 1757 CE LYS A 115 -32.400 -7.754 2.310 1.00 29.16 C ATOM 1758 NZ LYS A 115 -33.646 -6.964 2.106 1.00 29.75 N ATOM 0 H LYS A 115 -28.067 -5.191 1.175 1.00 25.07 H new ATOM 0 HA LYS A 115 -28.629 -5.392 4.006 1.00 25.94 H new ATOM 0 HB2 LYS A 115 -30.211 -4.614 2.145 1.00 27.05 H new ATOM 0 HB3 LYS A 115 -30.311 -6.290 1.644 1.00 27.05 H new ATOM 0 HG2 LYS A 115 -30.895 -5.571 4.513 1.00 27.83 H new ATOM 0 HG3 LYS A 115 -32.106 -5.261 3.285 1.00 27.83 H new ATOM 0 HD2 LYS A 115 -30.788 -7.971 3.711 1.00 28.38 H new ATOM 0 HD3 LYS A 115 -32.312 -7.504 4.441 1.00 28.38 H new ATOM 0 HE2 LYS A 115 -31.742 -7.622 1.451 1.00 29.16 H new ATOM 0 HE3 LYS A 115 -32.647 -8.814 2.363 1.00 29.16 H new ATOM 0 HZ1 LYS A 115 -34.263 -7.458 1.430 1.00 29.75 H new ATOM 0 HZ2 LYS A 115 -34.142 -6.857 3.014 1.00 29.75 H new ATOM 0 HZ3 LYS A 115 -33.404 -6.025 1.731 1.00 29.75 H new ATOM 1772 N VAL A 116 -28.170 -7.771 4.464 1.00 25.67 N ATOM 1773 CA VAL A 116 -27.908 -9.172 4.778 1.00 25.69 C ATOM 1774 C VAL A 116 -28.497 -9.567 6.124 1.00 26.53 C ATOM 1775 O VAL A 116 -28.709 -8.725 6.998 1.00 26.78 O ATOM 1776 CB VAL A 116 -26.400 -9.476 4.807 1.00 24.51 C ATOM 1777 CG1 VAL A 116 -25.827 -9.508 3.400 1.00 23.77 C ATOM 1778 CG2 VAL A 116 -25.669 -8.460 5.673 1.00 24.02 C ATOM 0 H VAL A 116 -28.088 -7.138 5.259 1.00 25.67 H new ATOM 0 HA VAL A 116 -28.384 -9.750 3.986 1.00 25.69 H new ATOM 0 HB VAL A 116 -26.256 -10.463 5.246 1.00 24.51 H new ATOM 0 HG11 VAL A 116 -24.760 -9.725 3.447 1.00 23.77 H new ATOM 0 HG12 VAL A 116 -26.329 -10.282 2.820 1.00 23.77 H new ATOM 0 HG13 VAL A 116 -25.980 -8.540 2.923 1.00 23.77 H new ATOM 0 HG21 VAL A 116 -24.604 -8.690 5.683 1.00 24.02 H new ATOM 0 HG22 VAL A 116 -25.821 -7.460 5.267 1.00 24.02 H new ATOM 0 HG23 VAL A 116 -26.058 -8.502 6.690 1.00 24.02 H new ATOM 1788 N THR A 117 -28.756 -10.859 6.277 1.00 27.04 N ATOM 1789 CA THR A 117 -29.302 -11.392 7.515 1.00 27.90 C ATOM 1790 C THR A 117 -28.213 -12.121 8.288 1.00 27.38 C ATOM 1791 O THR A 117 -27.306 -12.702 7.694 1.00 26.61 O ATOM 1792 CB THR A 117 -30.470 -12.360 7.248 1.00 28.88 C ATOM 1793 OG1 THR A 117 -30.017 -13.469 6.462 1.00 28.45 O ATOM 1794 CG2 THR A 117 -31.608 -11.653 6.527 1.00 29.54 C ATOM 0 H THR A 117 -28.595 -11.560 5.554 1.00 27.04 H new ATOM 0 HA THR A 117 -29.679 -10.553 8.100 1.00 27.90 H new ATOM 0 HB THR A 117 -30.839 -12.721 8.208 1.00 28.88 H new ATOM 0 HG1 THR A 117 -30.765 -14.081 6.298 1.00 28.45 H new ATOM 0 HG21 THR A 117 -32.420 -12.358 6.350 1.00 29.54 H new ATOM 0 HG22 THR A 117 -31.971 -10.828 7.140 1.00 29.54 H new ATOM 0 HG23 THR A 117 -31.250 -11.266 5.573 1.00 29.54 H new ATOM 1802 N ASP A 118 -28.308 -12.085 9.612 1.00 27.85 N ATOM 1803 CA ASP A 118 -27.324 -12.733 10.473 1.00 27.53 C ATOM 1804 C ASP A 118 -27.070 -14.181 10.057 1.00 27.56 C ATOM 1805 O ASP A 118 -26.043 -14.757 10.405 1.00 27.11 O ATOM 1806 CB ASP A 118 -27.793 -12.693 11.929 1.00 28.39 C ATOM 1807 CG ASP A 118 -27.989 -11.278 12.436 1.00 28.44 C ATOM 1808 OD1 ASP A 118 -29.069 -10.703 12.186 1.00 28.58 O ATOM 1809 OD2 ASP A 118 -27.063 -10.745 13.082 1.00 28.40 O ATOM 0 H ASP A 118 -29.059 -11.612 10.115 1.00 27.85 H new ATOM 0 HA ASP A 118 -26.388 -12.184 10.370 1.00 27.53 H new ATOM 0 HB2 ASP A 118 -28.730 -13.242 12.021 1.00 28.39 H new ATOM 0 HB3 ASP A 118 -27.062 -13.203 12.557 1.00 28.39 H new ATOM 1814 N GLU A 119 -27.999 -14.763 9.301 1.00 28.18 N ATOM 1815 CA GLU A 119 -27.868 -16.152 8.866 1.00 28.39 C ATOM 1816 C GLU A 119 -26.932 -16.300 7.666 1.00 27.39 C ATOM 1817 O GLU A 119 -25.963 -17.057 7.721 1.00 26.99 O ATOM 1818 CB GLU A 119 -29.244 -16.725 8.518 1.00 29.53 C ATOM 1819 CG GLU A 119 -30.214 -16.731 9.688 1.00 30.59 C ATOM 1820 CD GLU A 119 -31.575 -17.285 9.312 1.00 31.58 C ATOM 1821 OE1 GLU A 119 -31.749 -18.520 9.369 1.00 31.92 O ATOM 1822 OE2 GLU A 119 -32.466 -16.483 8.962 1.00 32.06 O ATOM 0 H GLU A 119 -28.847 -14.297 8.978 1.00 28.18 H new ATOM 0 HA GLU A 119 -27.431 -16.708 9.695 1.00 28.39 H new ATOM 0 HB2 GLU A 119 -29.675 -16.144 7.703 1.00 29.53 H new ATOM 0 HB3 GLU A 119 -29.122 -17.745 8.153 1.00 29.53 H new ATOM 0 HG2 GLU A 119 -29.795 -17.326 10.500 1.00 30.59 H new ATOM 0 HG3 GLU A 119 -30.330 -15.715 10.064 1.00 30.59 H new ATOM 1829 N GLU A 120 -27.221 -15.580 6.585 1.00 27.04 N ATOM 1830 CA GLU A 120 -26.408 -15.660 5.375 1.00 26.15 C ATOM 1831 C GLU A 120 -24.954 -15.266 5.636 1.00 24.97 C ATOM 1832 O GLU A 120 -24.026 -15.930 5.159 1.00 24.41 O ATOM 1833 CB GLU A 120 -27.010 -14.789 4.270 1.00 26.05 C ATOM 1834 CG GLU A 120 -27.083 -13.311 4.615 1.00 25.61 C ATOM 1835 CD GLU A 120 -27.707 -12.491 3.502 1.00 25.53 C ATOM 1836 OE1 GLU A 120 -27.041 -12.290 2.465 1.00 24.93 O ATOM 1837 OE2 GLU A 120 -28.860 -12.042 3.672 1.00 26.13 O ATOM 0 H GLU A 120 -28.010 -14.936 6.522 1.00 27.04 H new ATOM 0 HA GLU A 120 -26.409 -16.700 5.048 1.00 26.15 H new ATOM 0 HB2 GLU A 120 -26.418 -14.911 3.363 1.00 26.05 H new ATOM 0 HB3 GLU A 120 -28.014 -15.149 4.045 1.00 26.05 H new ATOM 0 HG2 GLU A 120 -27.664 -13.181 5.528 1.00 25.61 H new ATOM 0 HG3 GLU A 120 -26.080 -12.938 4.820 1.00 25.61 H new ATOM 1844 N ILE A 121 -24.748 -14.201 6.402 1.00 24.65 N ATOM 1845 CA ILE A 121 -23.397 -13.742 6.693 1.00 23.60 C ATOM 1846 C ILE A 121 -22.695 -14.659 7.687 1.00 23.80 C ATOM 1847 O ILE A 121 -21.493 -14.897 7.565 1.00 23.05 O ATOM 1848 CB ILE A 121 -23.372 -12.295 7.215 1.00 23.30 C ATOM 1849 CG1 ILE A 121 -24.246 -12.145 8.461 1.00 24.33 C ATOM 1850 CG2 ILE A 121 -23.822 -11.338 6.124 1.00 22.99 C ATOM 1851 CD1 ILE A 121 -24.115 -10.797 9.136 1.00 24.19 C ATOM 0 H ILE A 121 -25.490 -13.645 6.828 1.00 24.65 H new ATOM 0 HA ILE A 121 -22.858 -13.770 5.746 1.00 23.60 H new ATOM 0 HB ILE A 121 -22.348 -12.049 7.496 1.00 23.30 H new ATOM 0 HG12 ILE A 121 -25.288 -12.303 8.184 1.00 24.33 H new ATOM 0 HG13 ILE A 121 -23.983 -12.926 9.175 1.00 24.33 H new ATOM 0 HG21 ILE A 121 -23.801 -10.317 6.504 1.00 22.99 H new ATOM 0 HG22 ILE A 121 -23.152 -11.421 5.268 1.00 22.99 H new ATOM 0 HG23 ILE A 121 -24.837 -11.589 5.816 1.00 22.99 H new ATOM 0 HD11 ILE A 121 -24.764 -10.764 10.011 1.00 24.19 H new ATOM 0 HD12 ILE A 121 -23.081 -10.644 9.445 1.00 24.19 H new ATOM 0 HD13 ILE A 121 -24.406 -10.011 8.439 1.00 24.19 H new ATOM 1863 N ASP A 122 -23.431 -15.171 8.671 1.00 24.87 N ATOM 1864 CA ASP A 122 -22.839 -16.077 9.648 1.00 25.26 C ATOM 1865 C ASP A 122 -22.231 -17.273 8.928 1.00 25.13 C ATOM 1866 O ASP A 122 -21.215 -17.821 9.355 1.00 24.95 O ATOM 1867 CB ASP A 122 -23.879 -16.552 10.662 1.00 26.55 C ATOM 1868 CG ASP A 122 -23.318 -17.568 11.637 1.00 27.08 C ATOM 1869 OD1 ASP A 122 -22.804 -17.152 12.696 1.00 27.39 O ATOM 1870 OD2 ASP A 122 -23.393 -18.779 11.342 1.00 27.28 O ATOM 0 H ASP A 122 -24.423 -14.977 8.811 1.00 24.87 H new ATOM 0 HA ASP A 122 -22.061 -15.540 10.191 1.00 25.26 H new ATOM 0 HB2 ASP A 122 -24.260 -15.694 11.216 1.00 26.55 H new ATOM 0 HB3 ASP A 122 -24.725 -16.990 10.132 1.00 26.55 H new ATOM 1875 N GLU A 123 -22.870 -17.672 7.830 1.00 25.32 N ATOM 1876 CA GLU A 123 -22.392 -18.789 7.029 1.00 25.30 C ATOM 1877 C GLU A 123 -21.080 -18.420 6.353 1.00 24.05 C ATOM 1878 O GLU A 123 -20.133 -19.207 6.345 1.00 23.89 O ATOM 1879 CB GLU A 123 -23.431 -19.186 5.978 1.00 25.91 C ATOM 1880 CG GLU A 123 -24.680 -19.821 6.565 1.00 27.23 C ATOM 1881 CD GLU A 123 -25.657 -20.280 5.498 1.00 27.86 C ATOM 1882 OE1 GLU A 123 -25.509 -21.419 5.008 1.00 27.98 O ATOM 1883 OE2 GLU A 123 -26.568 -19.499 5.153 1.00 28.28 O ATOM 0 H GLU A 123 -23.721 -17.235 7.477 1.00 25.32 H new ATOM 0 HA GLU A 123 -22.227 -19.641 7.688 1.00 25.30 H new ATOM 0 HB2 GLU A 123 -23.717 -18.301 5.410 1.00 25.91 H new ATOM 0 HB3 GLU A 123 -22.976 -19.883 5.275 1.00 25.91 H new ATOM 0 HG2 GLU A 123 -24.394 -20.673 7.182 1.00 27.23 H new ATOM 0 HG3 GLU A 123 -25.174 -19.104 7.221 1.00 27.23 H new ATOM 1890 N MET A 124 -21.030 -17.218 5.780 1.00 23.22 N ATOM 1891 CA MET A 124 -19.820 -16.748 5.124 1.00 21.99 C ATOM 1892 C MET A 124 -18.684 -16.657 6.140 1.00 21.54 C ATOM 1893 O MET A 124 -17.511 -16.818 5.798 1.00 20.82 O ATOM 1894 CB MET A 124 -20.065 -15.386 4.473 1.00 21.32 C ATOM 1895 CG MET A 124 -18.809 -14.748 3.910 1.00 20.01 C ATOM 1896 SD MET A 124 -19.128 -13.163 3.110 1.00 19.35 S ATOM 1897 CE MET A 124 -19.699 -12.188 4.499 1.00 19.76 C ATOM 0 H MET A 124 -21.809 -16.560 5.759 1.00 23.22 H new ATOM 0 HA MET A 124 -19.540 -17.456 4.344 1.00 21.99 H new ATOM 0 HB2 MET A 124 -20.795 -15.502 3.671 1.00 21.32 H new ATOM 0 HB3 MET A 124 -20.505 -14.714 5.210 1.00 21.32 H new ATOM 0 HG2 MET A 124 -18.088 -14.605 4.715 1.00 20.01 H new ATOM 0 HG3 MET A 124 -18.353 -15.428 3.190 1.00 20.01 H new ATOM 0 HE1 MET A 124 -19.632 -11.129 4.252 1.00 19.76 H new ATOM 0 HE2 MET A 124 -20.735 -12.444 4.722 1.00 19.76 H new ATOM 0 HE3 MET A 124 -19.078 -12.397 5.370 1.00 19.76 H new ATOM 1907 N ILE A 125 -19.052 -16.401 7.392 1.00 22.08 N ATOM 1908 CA ILE A 125 -18.086 -16.294 8.477 1.00 21.89 C ATOM 1909 C ILE A 125 -17.666 -17.674 8.976 1.00 22.49 C ATOM 1910 O ILE A 125 -16.535 -17.866 9.415 1.00 22.09 O ATOM 1911 CB ILE A 125 -18.664 -15.482 9.657 1.00 22.46 C ATOM 1912 CG1 ILE A 125 -18.914 -14.034 9.227 1.00 21.89 C ATOM 1913 CG2 ILE A 125 -17.730 -15.532 10.859 1.00 22.55 C ATOM 1914 CD1 ILE A 125 -19.582 -13.191 10.291 1.00 22.55 C ATOM 0 H ILE A 125 -20.021 -16.263 7.680 1.00 22.08 H new ATOM 0 HA ILE A 125 -17.213 -15.776 8.081 1.00 21.89 H new ATOM 0 HB ILE A 125 -19.614 -15.928 9.952 1.00 22.46 H new ATOM 0 HG12 ILE A 125 -17.963 -13.575 8.956 1.00 21.89 H new ATOM 0 HG13 ILE A 125 -19.535 -14.032 8.331 1.00 21.89 H new ATOM 0 HG21 ILE A 125 -18.159 -14.953 11.677 1.00 22.55 H new ATOM 0 HG22 ILE A 125 -17.600 -16.567 11.176 1.00 22.55 H new ATOM 0 HG23 ILE A 125 -16.762 -15.112 10.585 1.00 22.55 H new ATOM 0 HD11 ILE A 125 -19.727 -12.178 9.915 1.00 22.55 H new ATOM 0 HD12 ILE A 125 -20.549 -13.625 10.546 1.00 22.55 H new ATOM 0 HD13 ILE A 125 -18.952 -13.161 11.180 1.00 22.55 H new ATOM 1926 N ARG A 126 -18.582 -18.634 8.892 1.00 23.53 N ATOM 1927 CA ARG A 126 -18.310 -19.995 9.342 1.00 24.28 C ATOM 1928 C ARG A 126 -17.382 -20.690 8.359 1.00 23.77 C ATOM 1929 O ARG A 126 -16.578 -21.544 8.733 1.00 23.91 O ATOM 1930 CB ARG A 126 -19.616 -20.784 9.475 1.00 25.52 C ATOM 1931 CG ARG A 126 -19.420 -22.232 9.903 1.00 26.44 C ATOM 1932 CD ARG A 126 -18.823 -22.334 11.298 1.00 27.30 C ATOM 1933 NE ARG A 126 -18.635 -23.722 11.714 1.00 28.16 N ATOM 1934 CZ ARG A 126 -17.987 -24.080 12.821 1.00 28.99 C ATOM 1935 NH1 ARG A 126 -17.465 -23.156 13.616 1.00 29.08 N ATOM 1936 NH2 ARG A 126 -17.862 -25.363 13.131 1.00 29.80 N ATOM 0 H ARG A 126 -19.520 -18.494 8.516 1.00 23.53 H new ATOM 0 HA ARG A 126 -17.828 -19.950 10.319 1.00 24.28 H new ATOM 0 HB2 ARG A 126 -20.259 -20.285 10.200 1.00 25.52 H new ATOM 0 HB3 ARG A 126 -20.139 -20.765 8.519 1.00 25.52 H new ATOM 0 HG2 ARG A 126 -20.378 -22.751 9.879 1.00 26.44 H new ATOM 0 HG3 ARG A 126 -18.767 -22.736 9.191 1.00 26.44 H new ATOM 0 HD2 ARG A 126 -17.864 -21.816 11.321 1.00 27.30 H new ATOM 0 HD3 ARG A 126 -19.476 -21.828 12.009 1.00 27.30 H new ATOM 0 HE ARG A 126 -19.022 -24.458 11.123 1.00 28.16 H new ATOM 0 HH11 ARG A 126 -17.559 -22.168 13.380 1.00 29.08 H new ATOM 0 HH12 ARG A 126 -16.969 -23.433 14.463 1.00 29.08 H new ATOM 0 HH21 ARG A 126 -18.262 -26.076 12.522 1.00 29.80 H new ATOM 0 HH22 ARG A 126 -17.366 -25.637 13.979 1.00 29.80 H new ATOM 1950 N GLU A 127 -17.508 -20.305 7.098 1.00 23.26 N ATOM 1951 CA GLU A 127 -16.693 -20.857 6.037 1.00 22.80 C ATOM 1952 C GLU A 127 -15.300 -20.231 6.059 1.00 21.68 C ATOM 1953 O GLU A 127 -14.306 -20.888 5.749 1.00 21.50 O ATOM 1954 CB GLU A 127 -17.380 -20.600 4.702 1.00 22.59 C ATOM 1955 CG GLU A 127 -16.407 -20.465 3.563 1.00 23.70 C ATOM 1956 CD GLU A 127 -17.073 -20.517 2.203 1.00 23.91 C ATOM 1957 OE1 GLU A 127 -17.527 -19.457 1.723 1.00 24.13 O ATOM 1958 OE2 GLU A 127 -17.140 -21.618 1.617 1.00 23.95 O ATOM 0 H GLU A 127 -18.178 -19.602 6.786 1.00 23.26 H new ATOM 0 HA GLU A 127 -16.579 -21.931 6.181 1.00 22.80 H new ATOM 0 HB2 GLU A 127 -18.070 -21.417 4.490 1.00 22.59 H new ATOM 0 HB3 GLU A 127 -17.976 -19.690 4.774 1.00 22.59 H new ATOM 0 HG2 GLU A 127 -15.870 -19.522 3.662 1.00 23.70 H new ATOM 0 HG3 GLU A 127 -15.667 -21.262 3.629 1.00 23.70 H new ATOM 1965 N ALA A 128 -15.243 -18.958 6.432 1.00 21.01 N ATOM 1966 CA ALA A 128 -13.979 -18.232 6.498 1.00 19.97 C ATOM 1967 C ALA A 128 -13.287 -18.434 7.842 1.00 20.40 C ATOM 1968 O ALA A 128 -12.100 -18.138 7.988 1.00 19.88 O ATOM 1969 CB ALA A 128 -14.210 -16.751 6.244 1.00 19.05 C ATOM 0 H ALA A 128 -16.059 -18.405 6.694 1.00 21.01 H new ATOM 0 HA ALA A 128 -13.325 -18.631 5.723 1.00 19.97 H new ATOM 0 HB1 ALA A 128 -13.259 -16.220 6.296 1.00 19.05 H new ATOM 0 HB2 ALA A 128 -14.648 -16.615 5.255 1.00 19.05 H new ATOM 0 HB3 ALA A 128 -14.889 -16.354 6.999 1.00 19.05 H new ATOM 1975 N ASP A 129 -14.030 -18.940 8.821 1.00 21.43 N ATOM 1976 CA ASP A 129 -13.480 -19.172 10.151 1.00 22.05 C ATOM 1977 C ASP A 129 -12.828 -20.547 10.247 1.00 22.75 C ATOM 1978 O ASP A 129 -13.511 -21.571 10.271 1.00 23.69 O ATOM 1979 CB ASP A 129 -14.574 -19.035 11.210 1.00 22.95 C ATOM 1980 CG ASP A 129 -14.106 -19.447 12.591 1.00 23.80 C ATOM 1981 OD1 ASP A 129 -13.450 -18.624 13.262 1.00 23.96 O ATOM 1982 OD2 ASP A 129 -14.392 -20.592 13.000 1.00 24.38 O ATOM 0 H ASP A 129 -15.012 -19.197 8.719 1.00 21.43 H new ATOM 0 HA ASP A 129 -12.713 -18.419 10.332 1.00 22.05 H new ATOM 0 HB2 ASP A 129 -14.917 -18.001 11.241 1.00 22.95 H new ATOM 0 HB3 ASP A 129 -15.430 -19.646 10.924 1.00 22.95 H new ATOM 1987 N PHE A 130 -11.500 -20.559 10.298 1.00 22.35 N ATOM 1988 CA PHE A 130 -10.747 -21.805 10.394 1.00 23.04 C ATOM 1989 C PHE A 130 -10.445 -22.152 11.849 1.00 24.02 C ATOM 1990 O PHE A 130 -10.304 -23.324 12.199 1.00 25.05 O ATOM 1991 CB PHE A 130 -9.440 -21.699 9.605 1.00 22.22 C ATOM 1992 CG PHE A 130 -9.641 -21.470 8.134 1.00 21.35 C ATOM 1993 CD1 PHE A 130 -10.006 -22.514 7.300 1.00 21.23 C ATOM 1994 CD2 PHE A 130 -9.465 -20.209 7.586 1.00 20.73 C ATOM 1995 CE1 PHE A 130 -10.195 -22.306 5.948 1.00 20.51 C ATOM 1996 CE2 PHE A 130 -9.652 -19.995 6.233 1.00 20.01 C ATOM 1997 CZ PHE A 130 -10.008 -21.047 5.412 1.00 19.90 C ATOM 0 H PHE A 130 -10.922 -19.719 10.274 1.00 22.35 H new ATOM 0 HA PHE A 130 -11.359 -22.600 9.969 1.00 23.04 H new ATOM 0 HB2 PHE A 130 -8.845 -20.882 10.013 1.00 22.22 H new ATOM 0 HB3 PHE A 130 -8.865 -22.614 9.746 1.00 22.22 H new ATOM 0 HD1 PHE A 130 -10.144 -23.503 7.712 1.00 21.23 H new ATOM 0 HD2 PHE A 130 -9.179 -19.385 8.223 1.00 20.73 H new ATOM 0 HE1 PHE A 130 -10.489 -23.127 5.311 1.00 20.51 H new ATOM 0 HE2 PHE A 130 -9.520 -19.006 5.819 1.00 20.01 H new ATOM 0 HZ PHE A 130 -10.140 -20.885 4.352 1.00 19.90 H new ATOM 2007 N ASP A 131 -10.347 -21.126 12.691 1.00 23.76 N ATOM 2008 CA ASP A 131 -10.056 -21.325 14.108 1.00 24.71 C ATOM 2009 C ASP A 131 -11.146 -22.152 14.779 1.00 25.78 C ATOM 2010 O ASP A 131 -10.861 -23.135 15.464 1.00 26.78 O ATOM 2011 CB ASP A 131 -9.916 -19.985 14.818 1.00 24.21 C ATOM 2012 CG ASP A 131 -9.037 -19.010 14.060 1.00 23.32 C ATOM 2013 OD1 ASP A 131 -7.821 -19.273 13.946 1.00 22.53 O ATOM 2014 OD2 ASP A 131 -9.564 -17.985 13.582 1.00 23.46 O ATOM 0 H ASP A 131 -10.465 -20.150 12.417 1.00 23.76 H new ATOM 0 HA ASP A 131 -9.113 -21.868 14.181 1.00 24.71 H new ATOM 0 HB2 ASP A 131 -10.904 -19.546 14.955 1.00 24.21 H new ATOM 0 HB3 ASP A 131 -9.499 -20.147 15.812 1.00 24.21 H new ATOM 2019 N GLY A 132 -12.395 -21.745 14.578 1.00 25.60 N ATOM 2020 CA GLY A 132 -13.515 -22.456 15.168 1.00 26.62 C ATOM 2021 C GLY A 132 -14.130 -21.708 16.334 1.00 26.95 C ATOM 2022 O GLY A 132 -14.579 -22.321 17.304 1.00 27.86 O ATOM 0 H GLY A 132 -12.652 -20.934 14.016 1.00 25.60 H new ATOM 0 HA2 GLY A 132 -14.276 -22.624 14.406 1.00 26.62 H new ATOM 0 HA3 GLY A 132 -13.181 -23.437 15.506 1.00 26.62 H new ATOM 2026 N ASP A 133 -14.154 -20.382 16.242 1.00 26.26 N ATOM 2027 CA ASP A 133 -14.716 -19.549 17.301 1.00 26.58 C ATOM 2028 C ASP A 133 -15.808 -18.628 16.764 1.00 26.27 C ATOM 2029 O ASP A 133 -16.403 -17.855 17.515 1.00 26.65 O ATOM 2030 CB ASP A 133 -13.615 -18.722 17.965 1.00 26.12 C ATOM 2031 CG ASP A 133 -12.650 -18.127 16.958 1.00 24.90 C ATOM 2032 OD1 ASP A 133 -13.105 -17.363 16.080 1.00 24.55 O ATOM 2033 OD2 ASP A 133 -11.440 -18.424 17.046 1.00 24.32 O ATOM 0 H ASP A 133 -13.791 -19.860 15.444 1.00 26.26 H new ATOM 0 HA ASP A 133 -15.165 -20.210 18.042 1.00 26.58 H new ATOM 0 HB2 ASP A 133 -14.068 -17.920 18.547 1.00 26.12 H new ATOM 0 HB3 ASP A 133 -13.064 -19.351 18.664 1.00 26.12 H new ATOM 2038 N GLY A 134 -16.066 -18.713 15.462 1.00 25.66 N ATOM 2039 CA GLY A 134 -17.087 -17.881 14.852 1.00 25.42 C ATOM 2040 C GLY A 134 -16.670 -16.426 14.758 1.00 24.43 C ATOM 2041 O GLY A 134 -17.515 -15.535 14.668 1.00 24.42 O ATOM 0 H GLY A 134 -15.586 -19.343 14.819 1.00 25.66 H new ATOM 0 HA2 GLY A 134 -17.309 -18.257 13.853 1.00 25.42 H new ATOM 0 HA3 GLY A 134 -18.007 -17.955 15.432 1.00 25.42 H new ATOM 2045 N MET A 135 -15.363 -16.187 14.781 1.00 23.66 N ATOM 2046 CA MET A 135 -14.828 -14.833 14.697 1.00 22.72 C ATOM 2047 C MET A 135 -13.881 -14.706 13.508 1.00 21.56 C ATOM 2048 O MET A 135 -13.319 -15.701 13.050 1.00 21.55 O ATOM 2049 CB MET A 135 -14.105 -14.467 15.995 1.00 23.01 C ATOM 2050 CG MET A 135 -14.872 -14.867 17.246 1.00 24.25 C ATOM 2051 SD MET A 135 -14.120 -14.235 18.758 1.00 24.43 S ATOM 2052 CE MET A 135 -14.652 -12.526 18.713 1.00 23.79 C ATOM 0 H MET A 135 -14.653 -16.915 14.857 1.00 23.66 H new ATOM 0 HA MET A 135 -15.658 -14.141 14.553 1.00 22.72 H new ATOM 0 HB2 MET A 135 -13.128 -14.950 16.007 1.00 23.01 H new ATOM 0 HB3 MET A 135 -13.929 -13.391 16.014 1.00 23.01 H new ATOM 0 HG2 MET A 135 -15.895 -14.498 17.173 1.00 24.25 H new ATOM 0 HG3 MET A 135 -14.928 -15.954 17.300 1.00 24.25 H new ATOM 0 HE1 MET A 135 -13.842 -11.884 19.059 1.00 23.79 H new ATOM 0 HE2 MET A 135 -14.919 -12.255 17.692 1.00 23.79 H new ATOM 0 HE3 MET A 135 -15.519 -12.398 19.361 1.00 23.79 H new ATOM 2062 N ILE A 136 -13.712 -13.484 13.006 1.00 20.64 N ATOM 2063 CA ILE A 136 -12.839 -13.246 11.858 1.00 19.48 C ATOM 2064 C ILE A 136 -11.633 -12.386 12.220 1.00 18.80 C ATOM 2065 O ILE A 136 -11.760 -11.352 12.869 1.00 18.85 O ATOM 2066 CB ILE A 136 -13.596 -12.558 10.704 1.00 18.91 C ATOM 2067 CG1 ILE A 136 -14.774 -13.422 10.243 1.00 19.65 C ATOM 2068 CG2 ILE A 136 -12.650 -12.269 9.542 1.00 17.71 C ATOM 2069 CD1 ILE A 136 -14.366 -14.779 9.704 1.00 19.77 C ATOM 0 H ILE A 136 -14.165 -12.648 13.374 1.00 20.64 H new ATOM 0 HA ILE A 136 -12.494 -14.230 11.539 1.00 19.48 H new ATOM 0 HB ILE A 136 -13.991 -11.609 11.067 1.00 18.91 H new ATOM 0 HG12 ILE A 136 -15.457 -13.565 11.081 1.00 19.65 H new ATOM 0 HG13 ILE A 136 -15.325 -12.886 9.470 1.00 19.65 H new ATOM 0 HG21 ILE A 136 -13.201 -11.783 8.736 1.00 17.71 H new ATOM 0 HG22 ILE A 136 -11.848 -11.613 9.880 1.00 17.71 H new ATOM 0 HG23 ILE A 136 -12.224 -13.204 9.178 1.00 17.71 H new ATOM 0 HD11 ILE A 136 -15.255 -15.331 9.398 1.00 19.77 H new ATOM 0 HD12 ILE A 136 -13.708 -14.647 8.845 1.00 19.77 H new ATOM 0 HD13 ILE A 136 -13.842 -15.336 10.480 1.00 19.77 H new ATOM 2081 N ASN A 137 -10.466 -12.829 11.773 1.00 18.27 N ATOM 2082 CA ASN A 137 -9.213 -12.122 12.003 1.00 17.67 C ATOM 2083 C ASN A 137 -8.642 -11.671 10.664 1.00 16.40 C ATOM 2084 O ASN A 137 -9.023 -12.215 9.635 1.00 16.12 O ATOM 2085 CB ASN A 137 -8.210 -13.020 12.730 1.00 18.25 C ATOM 2086 CG ASN A 137 -6.922 -12.294 13.069 1.00 18.20 C ATOM 2087 OD1 ASN A 137 -5.954 -12.352 12.162 1.00 18.03 O flip ATOM 2088 ND2 ASN A 137 -6.800 -11.688 14.133 1.00 18.49 N flip ATOM 0 H ASN A 137 -10.361 -13.692 11.239 1.00 18.27 H new ATOM 0 HA ASN A 137 -9.404 -11.252 12.632 1.00 17.67 H new ATOM 0 HB2 ASN A 137 -8.663 -13.398 13.647 1.00 18.25 H new ATOM 0 HB3 ASN A 137 -7.983 -13.885 12.107 1.00 18.25 H new ATOM 0 HD21 ASN A 137 -7.571 -11.670 14.801 1.00 18.49 H new ATOM 0 HD22 ASN A 137 -5.928 -11.204 14.347 1.00 18.49 H new ATOM 2095 N TYR A 138 -7.764 -10.668 10.667 1.00 15.73 N ATOM 2096 CA TYR A 138 -7.167 -10.171 9.423 1.00 14.51 C ATOM 2097 C TYR A 138 -6.859 -11.317 8.450 1.00 14.21 C ATOM 2098 O TYR A 138 -6.850 -11.123 7.234 1.00 13.35 O ATOM 2099 CB TYR A 138 -5.889 -9.383 9.732 1.00 14.11 C ATOM 2100 CG TYR A 138 -4.941 -9.256 8.558 1.00 12.93 C ATOM 2101 CD1 TYR A 138 -5.312 -8.549 7.421 1.00 12.24 C ATOM 2102 CD2 TYR A 138 -3.676 -9.835 8.588 1.00 12.60 C ATOM 2103 CE1 TYR A 138 -4.452 -8.423 6.347 1.00 11.18 C ATOM 2104 CE2 TYR A 138 -2.811 -9.713 7.517 1.00 11.56 C ATOM 2105 CZ TYR A 138 -3.194 -9.040 6.404 1.00 10.81 C ATOM 2106 OH TYR A 138 -2.348 -8.878 5.332 1.00 9.80 O ATOM 0 H TYR A 138 -7.451 -10.185 11.509 1.00 15.73 H new ATOM 0 HA TYR A 138 -7.891 -9.512 8.944 1.00 14.51 H new ATOM 0 HB2 TYR A 138 -6.164 -8.385 10.073 1.00 14.11 H new ATOM 0 HB3 TYR A 138 -5.366 -9.868 10.556 1.00 14.11 H new ATOM 0 HD1 TYR A 138 -6.289 -8.090 7.376 1.00 12.24 H new ATOM 0 HD2 TYR A 138 -3.365 -10.388 9.462 1.00 12.60 H new ATOM 0 HE1 TYR A 138 -4.745 -7.857 5.475 1.00 11.18 H new ATOM 0 HE2 TYR A 138 -1.827 -10.155 7.567 1.00 11.56 H new ATOM 0 HH TYR A 138 -1.510 -9.356 5.502 1.00 9.80 H new ATOM 2116 N GLU A 139 -6.634 -12.510 8.989 1.00 15.05 N ATOM 2117 CA GLU A 139 -6.333 -13.675 8.164 1.00 15.05 C ATOM 2118 C GLU A 139 -7.615 -14.265 7.582 1.00 15.40 C ATOM 2119 O GLU A 139 -7.731 -14.455 6.371 1.00 14.88 O ATOM 2120 CB GLU A 139 -5.595 -14.736 8.985 1.00 16.02 C ATOM 2121 CG GLU A 139 -4.233 -14.282 9.481 1.00 15.89 C ATOM 2122 CD GLU A 139 -3.526 -15.349 10.292 1.00 16.64 C ATOM 2123 OE1 GLU A 139 -2.797 -16.167 9.692 1.00 16.91 O ATOM 2124 OE2 GLU A 139 -3.700 -15.367 11.528 1.00 17.06 O ATOM 0 H GLU A 139 -6.654 -12.696 9.992 1.00 15.05 H new ATOM 0 HA GLU A 139 -5.691 -13.355 7.344 1.00 15.05 H new ATOM 0 HB2 GLU A 139 -6.210 -15.014 9.841 1.00 16.02 H new ATOM 0 HB3 GLU A 139 -5.471 -15.632 8.377 1.00 16.02 H new ATOM 0 HG2 GLU A 139 -3.612 -14.007 8.628 1.00 15.89 H new ATOM 0 HG3 GLU A 139 -4.352 -13.386 10.090 1.00 15.89 H new ATOM 2131 N GLU A 140 -8.573 -14.552 8.458 1.00 16.39 N ATOM 2132 CA GLU A 140 -9.853 -15.115 8.040 1.00 16.95 C ATOM 2133 C GLU A 140 -10.584 -14.138 7.120 1.00 16.22 C ATOM 2134 O GLU A 140 -11.315 -14.541 6.212 1.00 16.37 O ATOM 2135 CB GLU A 140 -10.719 -15.430 9.267 1.00 18.12 C ATOM 2136 CG GLU A 140 -9.916 -15.855 10.489 1.00 18.79 C ATOM 2137 CD GLU A 140 -10.791 -16.240 11.664 1.00 20.10 C ATOM 2138 OE1 GLU A 140 -11.455 -17.294 11.584 1.00 20.52 O ATOM 2139 OE2 GLU A 140 -10.818 -15.487 12.658 1.00 20.75 O ATOM 0 H GLU A 140 -8.487 -14.404 9.464 1.00 16.39 H new ATOM 0 HA GLU A 140 -9.666 -16.040 7.494 1.00 16.95 H new ATOM 0 HB2 GLU A 140 -11.310 -14.550 9.520 1.00 18.12 H new ATOM 0 HB3 GLU A 140 -11.422 -16.223 9.011 1.00 18.12 H new ATOM 0 HG2 GLU A 140 -9.280 -16.700 10.224 1.00 18.79 H new ATOM 0 HG3 GLU A 140 -9.256 -15.040 10.786 1.00 18.79 H new ATOM 2146 N PHE A 141 -10.364 -12.850 7.361 1.00 15.58 N ATOM 2147 CA PHE A 141 -10.987 -11.793 6.576 1.00 14.98 C ATOM 2148 C PHE A 141 -10.440 -11.793 5.154 1.00 14.05 C ATOM 2149 O PHE A 141 -11.197 -11.881 4.190 1.00 14.12 O ATOM 2150 CB PHE A 141 -10.736 -10.435 7.239 1.00 14.62 C ATOM 2151 CG PHE A 141 -11.339 -9.277 6.500 1.00 14.16 C ATOM 2152 CD1 PHE A 141 -10.620 -8.613 5.521 1.00 13.21 C ATOM 2153 CD2 PHE A 141 -12.627 -8.852 6.785 1.00 14.81 C ATOM 2154 CE1 PHE A 141 -11.172 -7.545 4.840 1.00 12.98 C ATOM 2155 CE2 PHE A 141 -13.183 -7.785 6.109 1.00 14.61 C ATOM 2156 CZ PHE A 141 -12.457 -7.135 5.129 1.00 13.73 C ATOM 0 H PHE A 141 -9.751 -12.511 8.103 1.00 15.58 H new ATOM 0 HA PHE A 141 -12.061 -11.975 6.533 1.00 14.98 H new ATOM 0 HB2 PHE A 141 -11.138 -10.456 8.252 1.00 14.62 H new ATOM 0 HB3 PHE A 141 -9.661 -10.278 7.326 1.00 14.62 H new ATOM 0 HD1 PHE A 141 -9.616 -8.934 5.287 1.00 13.21 H new ATOM 0 HD2 PHE A 141 -13.202 -9.361 7.544 1.00 14.81 H new ATOM 0 HE1 PHE A 141 -10.598 -7.032 4.082 1.00 12.98 H new ATOM 0 HE2 PHE A 141 -14.185 -7.458 6.346 1.00 14.61 H new ATOM 0 HZ PHE A 141 -12.895 -6.308 4.590 1.00 13.73 H new ATOM 2166 N VAL A 142 -9.119 -11.689 5.036 1.00 13.29 N ATOM 2167 CA VAL A 142 -8.457 -11.686 3.736 1.00 12.40 C ATOM 2168 C VAL A 142 -8.895 -12.878 2.889 1.00 12.96 C ATOM 2169 O VAL A 142 -9.015 -12.775 1.667 1.00 12.60 O ATOM 2170 CB VAL A 142 -6.921 -11.706 3.896 1.00 11.84 C ATOM 2171 CG1 VAL A 142 -6.236 -12.117 2.599 1.00 11.29 C ATOM 2172 CG2 VAL A 142 -6.422 -10.344 4.350 1.00 11.16 C ATOM 0 H VAL A 142 -8.484 -11.605 5.830 1.00 13.29 H new ATOM 0 HA VAL A 142 -8.750 -10.767 3.228 1.00 12.40 H new ATOM 0 HB VAL A 142 -6.670 -12.446 4.656 1.00 11.84 H new ATOM 0 HG11 VAL A 142 -5.156 -12.122 2.744 1.00 11.29 H new ATOM 0 HG12 VAL A 142 -6.568 -13.115 2.313 1.00 11.29 H new ATOM 0 HG13 VAL A 142 -6.494 -11.409 1.811 1.00 11.29 H new ATOM 0 HG21 VAL A 142 -5.338 -10.372 4.459 1.00 11.16 H new ATOM 0 HG22 VAL A 142 -6.693 -9.592 3.609 1.00 11.16 H new ATOM 0 HG23 VAL A 142 -6.877 -10.091 5.308 1.00 11.16 H new ATOM 2182 N TRP A 143 -9.143 -14.003 3.549 1.00 13.99 N ATOM 2183 CA TRP A 143 -9.554 -15.219 2.858 1.00 14.75 C ATOM 2184 C TRP A 143 -10.923 -15.064 2.199 1.00 15.22 C ATOM 2185 O TRP A 143 -11.084 -15.371 1.020 1.00 15.27 O ATOM 2186 CB TRP A 143 -9.587 -16.401 3.831 1.00 15.86 C ATOM 2187 CG TRP A 143 -9.892 -17.706 3.165 1.00 16.76 C ATOM 2188 CD1 TRP A 143 -9.000 -18.625 2.689 1.00 16.94 C ATOM 2189 CD2 TRP A 143 -11.189 -18.229 2.897 1.00 17.71 C ATOM 2190 NE1 TRP A 143 -9.675 -19.690 2.137 1.00 17.96 N ATOM 2191 CE2 TRP A 143 -11.022 -19.468 2.255 1.00 18.43 C ATOM 2192 CE3 TRP A 143 -12.473 -17.759 3.144 1.00 18.11 C ATOM 2193 CZ2 TRP A 143 -12.106 -20.245 1.852 1.00 19.50 C ATOM 2194 CZ3 TRP A 143 -13.551 -18.526 2.746 1.00 19.15 C ATOM 2195 CH2 TRP A 143 -13.362 -19.759 2.105 1.00 19.83 C ATOM 0 H TRP A 143 -9.067 -14.098 4.562 1.00 13.99 H new ATOM 0 HA TRP A 143 -8.820 -15.408 2.075 1.00 14.75 H new ATOM 0 HB2 TRP A 143 -8.624 -16.475 4.336 1.00 15.86 H new ATOM 0 HB3 TRP A 143 -10.336 -16.209 4.600 1.00 15.86 H new ATOM 0 HD1 TRP A 143 -7.925 -18.530 2.738 1.00 16.94 H new ATOM 0 HE1 TRP A 143 -9.243 -20.510 1.710 1.00 17.96 H new ATOM 0 HE3 TRP A 143 -12.626 -16.811 3.638 1.00 18.11 H new ATOM 0 HZ2 TRP A 143 -11.962 -21.195 1.359 1.00 19.50 H new ATOM 0 HZ3 TRP A 143 -14.554 -18.171 2.931 1.00 19.15 H new ATOM 0 HH2 TRP A 143 -14.224 -20.337 1.805 1.00 19.83 H new ATOM 2206 N MET A 144 -11.907 -14.594 2.961 1.00 15.69 N ATOM 2207 CA MET A 144 -13.264 -14.440 2.439 1.00 16.33 C ATOM 2208 C MET A 144 -13.402 -13.244 1.496 1.00 15.63 C ATOM 2209 O MET A 144 -14.094 -13.329 0.481 1.00 16.10 O ATOM 2210 CB MET A 144 -14.267 -14.316 3.588 1.00 17.12 C ATOM 2211 CG MET A 144 -14.199 -12.992 4.331 1.00 16.59 C ATOM 2212 SD MET A 144 -15.270 -12.965 5.781 1.00 17.69 S ATOM 2213 CE MET A 144 -14.894 -11.350 6.449 1.00 17.05 C ATOM 0 H MET A 144 -11.793 -14.315 3.935 1.00 15.69 H new ATOM 0 HA MET A 144 -13.480 -15.336 1.858 1.00 16.33 H new ATOM 0 HB2 MET A 144 -15.274 -14.447 3.192 1.00 17.12 H new ATOM 0 HB3 MET A 144 -14.094 -15.127 4.296 1.00 17.12 H new ATOM 0 HG2 MET A 144 -13.170 -12.803 4.638 1.00 16.59 H new ATOM 0 HG3 MET A 144 -14.484 -12.184 3.657 1.00 16.59 H new ATOM 0 HE1 MET A 144 -14.928 -11.390 7.538 1.00 17.05 H new ATOM 0 HE2 MET A 144 -13.898 -11.046 6.128 1.00 17.05 H new ATOM 0 HE3 MET A 144 -15.627 -10.628 6.089 1.00 17.05 H new ATOM 2223 N ILE A 145 -12.751 -12.136 1.827 1.00 14.62 N ATOM 2224 CA ILE A 145 -12.837 -10.934 1.001 1.00 14.03 C ATOM 2225 C ILE A 145 -12.240 -11.158 -0.386 1.00 13.62 C ATOM 2226 O ILE A 145 -12.701 -10.577 -1.369 1.00 13.74 O ATOM 2227 CB ILE A 145 -12.146 -9.731 1.672 1.00 13.14 C ATOM 2228 CG1 ILE A 145 -12.384 -8.467 0.850 1.00 12.79 C ATOM 2229 CG2 ILE A 145 -10.657 -9.988 1.827 1.00 12.26 C ATOM 2230 CD1 ILE A 145 -12.332 -7.191 1.663 1.00 12.37 C ATOM 0 H ILE A 145 -12.162 -12.042 2.654 1.00 14.62 H new ATOM 0 HA ILE A 145 -13.898 -10.711 0.892 1.00 14.03 H new ATOM 0 HB ILE A 145 -12.574 -9.592 2.665 1.00 13.14 H new ATOM 0 HG12 ILE A 145 -11.636 -8.413 0.059 1.00 12.79 H new ATOM 0 HG13 ILE A 145 -13.357 -8.538 0.365 1.00 12.79 H new ATOM 0 HG21 ILE A 145 -10.187 -9.127 2.303 1.00 12.26 H new ATOM 0 HG22 ILE A 145 -10.503 -10.873 2.444 1.00 12.26 H new ATOM 0 HG23 ILE A 145 -10.211 -10.148 0.845 1.00 12.26 H new ATOM 0 HD11 ILE A 145 -12.510 -6.336 1.010 1.00 12.37 H new ATOM 0 HD12 ILE A 145 -13.098 -7.222 2.438 1.00 12.37 H new ATOM 0 HD13 ILE A 145 -11.350 -7.095 2.127 1.00 12.37 H new ATOM 2242 N SER A 146 -11.216 -12.002 -0.463 1.00 13.30 N ATOM 2243 CA SER A 146 -10.569 -12.300 -1.736 1.00 13.04 C ATOM 2244 C SER A 146 -11.523 -13.052 -2.656 1.00 14.17 C ATOM 2245 O SER A 146 -11.282 -13.171 -3.857 1.00 14.26 O ATOM 2246 CB SER A 146 -9.299 -13.124 -1.512 1.00 12.74 C ATOM 2247 OG SER A 146 -9.594 -14.357 -0.881 1.00 12.48 O ATOM 0 H SER A 146 -10.817 -12.491 0.339 1.00 13.30 H new ATOM 0 HA SER A 146 -10.296 -11.357 -2.209 1.00 13.04 H new ATOM 0 HB2 SER A 146 -8.809 -13.310 -2.468 1.00 12.74 H new ATOM 0 HB3 SER A 146 -8.598 -12.557 -0.899 1.00 12.74 H new ATOM 0 HG SER A 146 -10.306 -14.224 -0.221 1.00 12.48 H new ATOM 2253 N GLN A 147 -12.608 -13.559 -2.079 1.00 15.13 N ATOM 2254 CA GLN A 147 -13.603 -14.310 -2.836 1.00 16.31 C ATOM 2255 C GLN A 147 -14.712 -13.392 -3.344 1.00 16.62 C ATOM 2256 O GLN A 147 -15.480 -13.765 -4.231 1.00 17.39 O ATOM 2257 CB GLN A 147 -14.199 -15.415 -1.963 1.00 17.27 C ATOM 2258 CG GLN A 147 -13.223 -15.976 -0.941 1.00 17.07 C ATOM 2259 CD GLN A 147 -12.061 -16.725 -1.572 1.00 17.24 C ATOM 2260 OE1 GLN A 147 -11.663 -16.447 -2.703 1.00 17.61 O ATOM 2261 NE2 GLN A 147 -11.505 -17.681 -0.835 1.00 17.09 N ATOM 0 H GLN A 147 -12.821 -13.463 -1.086 1.00 15.13 H new ATOM 0 HA GLN A 147 -13.109 -14.758 -3.698 1.00 16.31 H new ATOM 0 HB2 GLN A 147 -15.073 -15.023 -1.442 1.00 17.27 H new ATOM 0 HB3 GLN A 147 -14.547 -16.225 -2.604 1.00 17.27 H new ATOM 0 HG2 GLN A 147 -12.833 -15.159 -0.334 1.00 17.07 H new ATOM 0 HG3 GLN A 147 -13.757 -16.647 -0.268 1.00 17.07 H new ATOM 0 HE21 GLN A 147 -11.865 -17.880 0.098 1.00 17.09 H new ATOM 0 HE22 GLN A 147 -10.718 -18.216 -1.203 1.00 17.09 H new ATOM 2270 N LYS A 148 -14.789 -12.191 -2.776 1.00 16.13 N ATOM 2271 CA LYS A 148 -15.805 -11.221 -3.170 1.00 16.53 C ATOM 2272 C LYS A 148 -15.450 -10.569 -4.503 1.00 16.32 C ATOM 2273 O LYS A 148 -15.909 -11.073 -5.549 1.00 16.11 O ATOM 2274 CB LYS A 148 -15.966 -10.150 -2.091 1.00 16.16 C ATOM 2275 CG LYS A 148 -16.247 -10.717 -0.709 1.00 16.47 C ATOM 2276 CD LYS A 148 -16.520 -9.615 0.302 1.00 16.26 C ATOM 2277 CE LYS A 148 -16.735 -10.181 1.696 1.00 16.41 C ATOM 2278 NZ LYS A 148 -17.097 -9.122 2.677 1.00 16.72 N ATOM 2279 OXT LYS A 148 -14.715 -9.559 -4.489 1.00 16.50 O ATOM 0 H LYS A 148 -14.160 -11.867 -2.042 1.00 16.13 H new ATOM 0 HA LYS A 148 -16.750 -11.752 -3.287 1.00 16.53 H new ATOM 0 HB2 LYS A 148 -15.058 -9.548 -2.050 1.00 16.16 H new ATOM 0 HB3 LYS A 148 -16.780 -9.481 -2.373 1.00 16.16 H new ATOM 0 HG2 LYS A 148 -17.105 -11.388 -0.758 1.00 16.47 H new ATOM 0 HG3 LYS A 148 -15.395 -11.312 -0.379 1.00 16.47 H new ATOM 0 HD2 LYS A 148 -15.683 -8.917 0.316 1.00 16.26 H new ATOM 0 HD3 LYS A 148 -17.401 -9.050 -0.003 1.00 16.26 H new ATOM 0 HE2 LYS A 148 -17.525 -10.932 1.665 1.00 16.41 H new ATOM 0 HE3 LYS A 148 -15.827 -10.686 2.026 1.00 16.41 H new ATOM 0 HZ1 LYS A 148 -17.235 -9.550 3.615 1.00 16.72 H new ATOM 0 HZ2 LYS A 148 -16.333 -8.419 2.726 1.00 16.72 H new ATOM 0 HZ3 LYS A 148 -17.977 -8.656 2.376 1.00 16.72 H new