USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 767 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 100 TYR OH : rot -150:sc= -1.18 USER MOD Set 1.2: A 107 LYS NZ :NH3+ -120:sc= 0.8 (180deg=0.0386!) USER MOD Set 2.1: A 39 HIS : no HE2:sc= -12.3! C(o=-14!,f=-13!) USER MOD Set 2.2: A 58 THR OG1 : rot -49:sc= -1.63! USER MOD Set 3.1: A 32 SER OG : rot 173:sc= -0.115 USER MOD Set 3.2: A 43 GLN : amide:sc= -0.613 K(o=-0.73,f=-0.21) USER MOD Single : A 25 THR OG1 : rot -50:sc= 1.15 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0793 K(o=-0.079,f=-0.75) USER MOD Single : A 38 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000157) USER MOD Single : A 41 TYR OH : rot 130:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= -0.0415 (180deg=-0.279) USER MOD Single : A 50 SER OG : rot 180:sc= -0.104 USER MOD Single : A 52 THR OG1 : rot 27:sc= -5.34! USER MOD Single : A 55 SER OG : rot 170:sc= -6.53! USER MOD Single : A 57 SER OG : rot 10:sc= -2.09! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.138 USER MOD Single : A 68 THR OG1 : rot -150:sc= -2.79! USER MOD Single : A 69 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.097) USER MOD Single : A 70 ASN : amide:sc= -1.35 K(o=-1.4,f=-0.038) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0511) USER MOD Single : A 83 LYS NZ :NH3+ -169:sc=-0.00326 (180deg=-0.105) USER MOD Single : A 88 LYS NZ :NH3+ 163:sc= -0.062 (180deg=-0.331) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -9.11! C(o=-9.1!,f=-14!) USER MOD Single : A 102 TYR OH : rot 130:sc= -2.11! USER MOD Single : A 103 HIS : no HD1:sc= -2.29! K(o=-2.3!,f=-0.51) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 24 -7.826 6.239 -6.465 1.00 3.80 N ATOM 2 CA GLY A 24 -6.834 5.464 -7.191 1.00 3.88 C ATOM 3 C GLY A 24 -6.548 6.056 -8.553 1.00 4.84 C ATOM 4 O GLY A 24 -5.919 7.109 -8.663 1.00 5.34 O ATOM 0 HA2 GLY A 24 -5.911 5.421 -6.612 1.00 3.88 H new ATOM 0 HA3 GLY A 24 -7.186 4.439 -7.307 1.00 3.88 H new ATOM 8 N THR A 25 -7.021 5.381 -9.588 1.00 5.40 N ATOM 9 CA THR A 25 -6.833 5.838 -10.957 1.00 6.53 C ATOM 10 C THR A 25 -8.021 5.427 -11.824 1.00 6.79 C ATOM 11 O THR A 25 -7.917 5.382 -13.049 1.00 7.78 O ATOM 12 CB THR A 25 -5.542 5.259 -11.528 1.00 7.48 C ATOM 13 OG1 THR A 25 -5.429 5.545 -12.911 1.00 8.47 O ATOM 14 CG2 THR A 25 -5.441 3.762 -11.354 1.00 7.80 C ATOM 0 H THR A 25 -7.542 4.508 -9.506 1.00 5.40 H new ATOM 0 HA THR A 25 -6.764 6.926 -10.955 1.00 6.53 H new ATOM 0 HB THR A 25 -4.736 5.731 -10.967 1.00 7.48 H new ATOM 0 HG1 THR A 25 -6.260 5.295 -13.366 1.00 8.47 H new ATOM 0 HG21 THR A 25 -4.502 3.409 -11.780 1.00 7.80 H new ATOM 0 HG22 THR A 25 -5.474 3.516 -10.293 1.00 7.80 H new ATOM 0 HG23 THR A 25 -6.275 3.279 -11.864 1.00 7.80 H new ATOM 22 N THR A 26 -9.149 5.131 -11.174 1.00 6.02 N ATOM 23 CA THR A 26 -10.367 4.722 -11.867 1.00 6.31 C ATOM 24 C THR A 26 -11.380 4.144 -10.883 1.00 5.39 C ATOM 25 O THR A 26 -12.587 4.244 -11.095 1.00 5.53 O ATOM 26 CB THR A 26 -10.058 3.688 -12.954 1.00 7.29 C ATOM 27 OG1 THR A 26 -11.253 3.110 -13.449 1.00 8.15 O ATOM 28 CG2 THR A 26 -9.166 2.563 -12.477 1.00 7.65 C ATOM 0 H THR A 26 -9.241 5.168 -10.159 1.00 6.02 H new ATOM 0 HA THR A 26 -10.793 5.608 -12.337 1.00 6.31 H new ATOM 0 HB THR A 26 -9.532 4.238 -13.734 1.00 7.29 H new ATOM 0 HG1 THR A 26 -11.036 2.453 -14.143 1.00 8.15 H new ATOM 0 HG21 THR A 26 -8.988 1.867 -13.297 1.00 7.65 H new ATOM 0 HG22 THR A 26 -8.215 2.972 -12.135 1.00 7.65 H new ATOM 0 HG23 THR A 26 -9.651 2.038 -11.654 1.00 7.65 H new ATOM 36 N GLU A 27 -10.884 3.538 -9.802 1.00 4.70 N ATOM 37 CA GLU A 27 -11.766 2.950 -8.799 1.00 4.20 C ATOM 38 C GLU A 27 -10.979 2.369 -7.622 1.00 3.58 C ATOM 39 O GLU A 27 -10.274 1.370 -7.765 1.00 4.09 O ATOM 40 CB GLU A 27 -12.626 1.859 -9.440 1.00 4.98 C ATOM 41 CG GLU A 27 -14.017 1.740 -8.840 1.00 5.26 C ATOM 42 CD GLU A 27 -13.991 1.445 -7.355 1.00 5.33 C ATOM 43 OE1 GLU A 27 -13.407 0.412 -6.965 1.00 5.98 O ATOM 44 OE2 GLU A 27 -14.558 2.245 -6.580 1.00 5.00 O ATOM 0 H GLU A 27 -9.888 3.443 -9.602 1.00 4.70 H new ATOM 0 HA GLU A 27 -12.406 3.743 -8.411 1.00 4.20 H new ATOM 0 HB2 GLU A 27 -12.717 2.062 -10.507 1.00 4.98 H new ATOM 0 HB3 GLU A 27 -12.115 0.902 -9.340 1.00 4.98 H new ATOM 0 HG2 GLU A 27 -14.563 2.668 -9.012 1.00 5.26 H new ATOM 0 HG3 GLU A 27 -14.563 0.949 -9.354 1.00 5.26 H new ATOM 51 N ARG A 28 -11.129 2.992 -6.455 1.00 2.88 N ATOM 52 CA ARG A 28 -10.462 2.537 -5.233 1.00 2.50 C ATOM 53 C ARG A 28 -8.936 2.475 -5.382 1.00 2.12 C ATOM 54 O ARG A 28 -8.418 1.734 -6.216 1.00 2.47 O ATOM 55 CB ARG A 28 -11.002 1.165 -4.828 1.00 3.36 C ATOM 56 CG ARG A 28 -12.437 1.209 -4.329 1.00 4.15 C ATOM 57 CD ARG A 28 -12.938 -0.171 -3.935 1.00 5.14 C ATOM 58 NE ARG A 28 -14.391 -0.204 -3.789 1.00 5.84 N ATOM 59 CZ ARG A 28 -15.034 0.179 -2.691 1.00 6.72 C ATOM 60 NH1 ARG A 28 -14.357 0.624 -1.642 1.00 7.03 N ATOM 61 NH2 ARG A 28 -16.357 0.121 -2.644 1.00 7.48 N ATOM 0 H ARG A 28 -11.711 3.820 -6.328 1.00 2.88 H new ATOM 0 HA ARG A 28 -10.679 3.269 -4.455 1.00 2.50 H new ATOM 0 HB2 ARG A 28 -10.942 0.491 -5.683 1.00 3.36 H new ATOM 0 HB3 ARG A 28 -10.366 0.747 -4.048 1.00 3.36 H new ATOM 0 HG2 ARG A 28 -12.504 1.879 -3.472 1.00 4.15 H new ATOM 0 HG3 ARG A 28 -13.080 1.621 -5.106 1.00 4.15 H new ATOM 0 HD2 ARG A 28 -12.633 -0.897 -4.689 1.00 5.14 H new ATOM 0 HD3 ARG A 28 -12.472 -0.472 -2.996 1.00 5.14 H new ATOM 0 HE ARG A 28 -14.945 -0.541 -4.576 1.00 5.84 H new ATOM 0 HH11 ARG A 28 -13.339 0.673 -1.676 1.00 7.03 H new ATOM 0 HH12 ARG A 28 -14.854 0.917 -0.801 1.00 7.03 H new ATOM 0 HH21 ARG A 28 -16.882 -0.218 -3.451 1.00 7.48 H new ATOM 0 HH22 ARG A 28 -16.851 0.415 -1.801 1.00 7.48 H new ATOM 75 N PRO A 29 -8.194 3.246 -4.554 1.00 1.75 N ATOM 76 CA PRO A 29 -6.732 3.270 -4.568 1.00 1.73 C ATOM 77 C PRO A 29 -6.160 2.236 -3.611 1.00 1.12 C ATOM 78 O PRO A 29 -6.681 2.070 -2.509 1.00 0.97 O ATOM 79 CB PRO A 29 -6.435 4.662 -4.025 1.00 2.28 C ATOM 80 CG PRO A 29 -7.489 4.859 -2.994 1.00 2.24 C ATOM 81 CD PRO A 29 -8.718 4.156 -3.515 1.00 1.93 C ATOM 0 HA PRO A 29 -6.309 3.056 -5.550 1.00 1.73 H new ATOM 0 HB2 PRO A 29 -5.435 4.721 -3.595 1.00 2.28 H new ATOM 0 HB3 PRO A 29 -6.491 5.419 -4.807 1.00 2.28 H new ATOM 0 HG2 PRO A 29 -7.179 4.444 -2.035 1.00 2.24 H new ATOM 0 HG3 PRO A 29 -7.685 5.919 -2.834 1.00 2.24 H new ATOM 0 HD2 PRO A 29 -9.229 3.607 -2.724 1.00 1.93 H new ATOM 0 HD3 PRO A 29 -9.437 4.863 -3.929 1.00 1.93 H new ATOM 89 N ARG A 30 -5.083 1.559 -3.989 1.00 1.14 N ATOM 90 CA ARG A 30 -4.505 0.595 -3.075 1.00 0.83 C ATOM 91 C ARG A 30 -2.989 0.746 -2.997 1.00 0.77 C ATOM 92 O ARG A 30 -2.231 -0.139 -3.387 1.00 1.19 O ATOM 93 CB ARG A 30 -4.805 -0.771 -3.688 1.00 1.44 C ATOM 94 CG ARG A 30 -4.622 -0.816 -5.204 1.00 2.12 C ATOM 95 CD ARG A 30 -5.828 -0.275 -5.970 1.00 2.57 C ATOM 96 NE ARG A 30 -5.450 0.483 -7.159 1.00 3.02 N ATOM 97 CZ ARG A 30 -6.288 0.738 -8.162 1.00 3.70 C ATOM 98 NH1 ARG A 30 -7.541 0.314 -8.106 1.00 4.01 N ATOM 99 NH2 ARG A 30 -5.874 1.410 -9.223 1.00 4.42 N ATOM 0 H ARG A 30 -4.610 1.656 -4.888 1.00 1.14 H new ATOM 0 HA ARG A 30 -4.912 0.728 -2.073 1.00 0.83 H new ATOM 0 HB2 ARG A 30 -4.154 -1.516 -3.230 1.00 1.44 H new ATOM 0 HB3 ARG A 30 -5.830 -1.051 -3.446 1.00 1.44 H new ATOM 0 HG2 ARG A 30 -3.738 -0.238 -5.475 1.00 2.12 H new ATOM 0 HG3 ARG A 30 -4.436 -1.845 -5.511 1.00 2.12 H new ATOM 0 HD2 ARG A 30 -6.469 -1.106 -6.263 1.00 2.57 H new ATOM 0 HD3 ARG A 30 -6.416 0.363 -5.310 1.00 2.57 H new ATOM 0 HE ARG A 30 -4.495 0.835 -7.225 1.00 3.02 H new ATOM 0 HH11 ARG A 30 -7.866 -0.209 -7.293 1.00 4.01 H new ATOM 0 HH12 ARG A 30 -8.181 0.511 -8.876 1.00 4.01 H new ATOM 0 HH21 ARG A 30 -4.909 1.736 -9.276 1.00 4.42 H new ATOM 0 HH22 ARG A 30 -6.520 1.603 -9.989 1.00 4.42 H new ATOM 113 N LEU A 31 -2.554 1.823 -2.383 1.00 0.67 N ATOM 114 CA LEU A 31 -1.140 2.053 -2.183 1.00 0.66 C ATOM 115 C LEU A 31 -0.858 3.011 -1.040 1.00 0.79 C ATOM 116 O LEU A 31 -1.537 4.029 -0.901 1.00 1.21 O ATOM 117 CB LEU A 31 -0.496 2.533 -3.467 1.00 0.92 C ATOM 118 CG LEU A 31 1.000 2.234 -3.579 1.00 0.91 C ATOM 119 CD1 LEU A 31 1.802 3.067 -2.604 1.00 1.49 C ATOM 120 CD2 LEU A 31 1.262 0.763 -3.348 1.00 1.39 C ATOM 0 H LEU A 31 -3.160 2.555 -2.013 1.00 0.67 H new ATOM 0 HA LEU A 31 -0.696 1.098 -1.901 1.00 0.66 H new ATOM 0 HB2 LEU A 31 -1.010 2.071 -4.310 1.00 0.92 H new ATOM 0 HB3 LEU A 31 -0.646 3.609 -3.553 1.00 0.92 H new ATOM 0 HG LEU A 31 1.318 2.497 -4.588 1.00 0.91 H new ATOM 0 HD11 LEU A 31 2.861 2.831 -2.709 1.00 1.49 H new ATOM 0 HD12 LEU A 31 1.644 4.125 -2.813 1.00 1.49 H new ATOM 0 HD13 LEU A 31 1.480 2.846 -1.586 1.00 1.49 H new ATOM 0 HD21 LEU A 31 2.331 0.566 -3.431 1.00 1.39 H new ATOM 0 HD22 LEU A 31 0.918 0.484 -2.352 1.00 1.39 H new ATOM 0 HD23 LEU A 31 0.726 0.176 -4.094 1.00 1.39 H new ATOM 132 N SER A 32 0.166 2.735 -0.260 1.00 0.65 N ATOM 133 CA SER A 32 0.537 3.641 0.810 1.00 0.88 C ATOM 134 C SER A 32 2.035 3.936 0.757 1.00 0.67 C ATOM 135 O SER A 32 2.864 3.075 1.063 1.00 1.05 O ATOM 136 CB SER A 32 0.160 3.072 2.172 1.00 1.42 C ATOM 137 OG SER A 32 -1.060 2.353 2.107 1.00 1.57 O ATOM 0 H SER A 32 0.750 1.903 -0.343 1.00 0.65 H new ATOM 0 HA SER A 32 -0.014 4.571 0.670 1.00 0.88 H new ATOM 0 HB2 SER A 32 0.954 2.415 2.527 1.00 1.42 H new ATOM 0 HB3 SER A 32 0.070 3.882 2.895 1.00 1.42 H new ATOM 0 HG SER A 32 -1.223 1.908 2.965 1.00 1.57 H new ATOM 143 N VAL A 33 2.366 5.170 0.384 1.00 0.65 N ATOM 144 CA VAL A 33 3.755 5.610 0.306 1.00 0.78 C ATOM 145 C VAL A 33 4.012 6.633 1.396 1.00 0.74 C ATOM 146 O VAL A 33 3.529 7.762 1.322 1.00 1.28 O ATOM 147 CB VAL A 33 4.079 6.272 -1.044 1.00 1.59 C ATOM 148 CG1 VAL A 33 5.567 6.568 -1.151 1.00 2.53 C ATOM 149 CG2 VAL A 33 3.615 5.406 -2.195 1.00 2.05 C ATOM 0 H VAL A 33 1.686 5.886 0.130 1.00 0.65 H new ATOM 0 HA VAL A 33 4.384 4.727 0.422 1.00 0.78 H new ATOM 0 HB VAL A 33 3.539 7.218 -1.099 1.00 1.59 H new ATOM 0 HG11 VAL A 33 5.777 7.036 -2.113 1.00 2.53 H new ATOM 0 HG12 VAL A 33 5.863 7.242 -0.347 1.00 2.53 H new ATOM 0 HG13 VAL A 33 6.130 5.638 -1.070 1.00 2.53 H new ATOM 0 HG21 VAL A 33 3.855 5.896 -3.139 1.00 2.05 H new ATOM 0 HG22 VAL A 33 4.118 4.440 -2.149 1.00 2.05 H new ATOM 0 HG23 VAL A 33 2.537 5.258 -2.127 1.00 2.05 H new ATOM 159 N PHE A 34 4.753 6.238 2.410 1.00 0.53 N ATOM 160 CA PHE A 34 5.042 7.134 3.512 1.00 0.78 C ATOM 161 C PHE A 34 6.524 7.131 3.835 1.00 0.52 C ATOM 162 O PHE A 34 7.257 6.258 3.382 1.00 0.90 O ATOM 163 CB PHE A 34 4.221 6.742 4.740 1.00 1.43 C ATOM 164 CG PHE A 34 2.740 6.940 4.563 1.00 1.74 C ATOM 165 CD1 PHE A 34 2.033 6.227 3.602 1.00 1.73 C ATOM 166 CD2 PHE A 34 2.052 7.839 5.363 1.00 2.51 C ATOM 167 CE1 PHE A 34 0.672 6.414 3.445 1.00 2.58 C ATOM 168 CE2 PHE A 34 0.692 8.029 5.209 1.00 3.37 C ATOM 169 CZ PHE A 34 0.001 7.314 4.250 1.00 3.43 C ATOM 0 H PHE A 34 5.164 5.309 2.495 1.00 0.53 H new ATOM 0 HA PHE A 34 4.764 8.146 3.216 1.00 0.78 H new ATOM 0 HB2 PHE A 34 4.413 5.695 4.976 1.00 1.43 H new ATOM 0 HB3 PHE A 34 4.558 7.329 5.594 1.00 1.43 H new ATOM 0 HD1 PHE A 34 2.552 5.520 2.972 1.00 1.73 H new ATOM 0 HD2 PHE A 34 2.586 8.398 6.117 1.00 2.51 H new ATOM 0 HE1 PHE A 34 0.134 5.856 2.693 1.00 2.58 H new ATOM 0 HE2 PHE A 34 0.170 8.735 5.837 1.00 3.37 H new ATOM 0 HZ PHE A 34 -1.063 7.458 4.130 1.00 3.43 H new ATOM 179 N ARG A 35 6.965 8.121 4.599 1.00 0.77 N ATOM 180 CA ARG A 35 8.371 8.227 4.960 1.00 0.81 C ATOM 181 C ARG A 35 8.587 8.007 6.453 1.00 0.85 C ATOM 182 O ARG A 35 8.156 8.810 7.280 1.00 1.32 O ATOM 183 CB ARG A 35 8.922 9.597 4.557 1.00 1.41 C ATOM 184 CG ARG A 35 8.078 10.761 5.052 1.00 2.08 C ATOM 185 CD ARG A 35 8.776 12.094 4.837 1.00 2.72 C ATOM 186 NE ARG A 35 7.969 13.213 5.315 1.00 3.21 N ATOM 187 CZ ARG A 35 8.427 14.456 5.436 1.00 3.85 C ATOM 188 NH1 ARG A 35 9.679 14.739 5.105 1.00 4.13 N ATOM 189 NH2 ARG A 35 7.631 15.417 5.887 1.00 4.60 N ATOM 0 H ARG A 35 6.372 8.859 4.979 1.00 0.77 H new ATOM 0 HA ARG A 35 8.906 7.446 4.421 1.00 0.81 H new ATOM 0 HB2 ARG A 35 9.935 9.701 4.947 1.00 1.41 H new ATOM 0 HB3 ARG A 35 8.992 9.646 3.470 1.00 1.41 H new ATOM 0 HG2 ARG A 35 7.121 10.764 4.531 1.00 2.08 H new ATOM 0 HG3 ARG A 35 7.863 10.630 6.113 1.00 2.08 H new ATOM 0 HD2 ARG A 35 9.735 12.090 5.356 1.00 2.72 H new ATOM 0 HD3 ARG A 35 8.988 12.226 3.776 1.00 2.72 H new ATOM 0 HE ARG A 35 6.998 13.031 5.571 1.00 3.21 H new ATOM 0 HH11 ARG A 35 10.293 14.003 4.757 1.00 4.13 H new ATOM 0 HH12 ARG A 35 10.028 15.693 5.199 1.00 4.13 H new ATOM 0 HH21 ARG A 35 6.667 15.203 6.141 1.00 4.60 H new ATOM 0 HH22 ARG A 35 7.983 16.370 5.979 1.00 4.60 H new ATOM 203 N SER A 36 9.284 6.926 6.791 1.00 0.55 N ATOM 204 CA SER A 36 9.584 6.619 8.182 1.00 0.74 C ATOM 205 C SER A 36 10.678 7.558 8.674 1.00 0.79 C ATOM 206 O SER A 36 11.166 8.390 7.909 1.00 1.07 O ATOM 207 CB SER A 36 10.012 5.153 8.333 1.00 0.84 C ATOM 208 OG SER A 36 9.225 4.479 9.299 1.00 1.50 O ATOM 0 H SER A 36 9.650 6.250 6.120 1.00 0.55 H new ATOM 0 HA SER A 36 8.689 6.764 8.787 1.00 0.74 H new ATOM 0 HB2 SER A 36 9.923 4.646 7.372 1.00 0.84 H new ATOM 0 HB3 SER A 36 11.062 5.107 8.622 1.00 0.84 H new ATOM 0 HG SER A 36 9.521 3.548 9.370 1.00 1.50 H new ATOM 214 N ASN A 37 11.052 7.440 9.949 1.00 1.08 N ATOM 215 CA ASN A 37 12.088 8.297 10.540 1.00 1.18 C ATOM 216 C ASN A 37 13.218 8.590 9.545 1.00 1.17 C ATOM 217 O ASN A 37 13.175 9.590 8.829 1.00 1.97 O ATOM 218 CB ASN A 37 12.638 7.644 11.810 1.00 1.30 C ATOM 219 CG ASN A 37 11.568 7.485 12.872 1.00 1.89 C ATOM 220 OD1 ASN A 37 10.676 8.325 13.000 1.00 2.57 O ATOM 221 ND2 ASN A 37 11.641 6.400 13.633 1.00 2.42 N ATOM 0 H ASN A 37 10.654 6.759 10.595 1.00 1.08 H new ATOM 0 HA ASN A 37 11.632 9.253 10.798 1.00 1.18 H new ATOM 0 HB2 ASN A 37 13.054 6.667 11.565 1.00 1.30 H new ATOM 0 HB3 ASN A 37 13.455 8.249 12.205 1.00 1.30 H new ATOM 0 HD21 ASN A 37 10.941 6.237 14.357 1.00 2.42 H new ATOM 0 HD22 ASN A 37 12.397 5.729 13.494 1.00 2.42 H new ATOM 228 N LYS A 38 14.208 7.709 9.485 1.00 0.96 N ATOM 229 CA LYS A 38 15.321 7.876 8.555 1.00 0.85 C ATOM 230 C LYS A 38 15.261 6.792 7.486 1.00 0.75 C ATOM 231 O LYS A 38 16.277 6.182 7.148 1.00 1.11 O ATOM 232 CB LYS A 38 16.663 7.802 9.290 1.00 0.86 C ATOM 233 CG LYS A 38 16.844 8.866 10.363 1.00 1.05 C ATOM 234 CD LYS A 38 15.874 8.669 11.516 1.00 1.75 C ATOM 235 CE LYS A 38 16.317 9.425 12.758 1.00 2.20 C ATOM 236 NZ LYS A 38 15.394 9.198 13.904 1.00 2.60 N ATOM 0 H LYS A 38 14.265 6.873 10.067 1.00 0.96 H new ATOM 0 HA LYS A 38 15.238 8.858 8.089 1.00 0.85 H new ATOM 0 HB2 LYS A 38 16.760 6.818 9.749 1.00 0.86 H new ATOM 0 HB3 LYS A 38 17.469 7.895 8.562 1.00 0.86 H new ATOM 0 HG2 LYS A 38 17.867 8.835 10.738 1.00 1.05 H new ATOM 0 HG3 LYS A 38 16.695 9.853 9.926 1.00 1.05 H new ATOM 0 HD2 LYS A 38 14.881 9.007 11.219 1.00 1.75 H new ATOM 0 HD3 LYS A 38 15.793 7.607 11.746 1.00 1.75 H new ATOM 0 HE2 LYS A 38 17.323 9.111 13.035 1.00 2.20 H new ATOM 0 HE3 LYS A 38 16.365 10.491 12.536 1.00 2.20 H new ATOM 0 HZ1 LYS A 38 15.740 9.717 14.736 1.00 2.60 H new ATOM 0 HZ2 LYS A 38 14.442 9.536 13.656 1.00 2.60 H new ATOM 0 HZ3 LYS A 38 15.354 8.182 14.122 1.00 2.60 H new ATOM 250 N HIS A 39 14.058 6.535 6.980 1.00 0.56 N ATOM 251 CA HIS A 39 13.859 5.494 5.976 1.00 0.60 C ATOM 252 C HIS A 39 12.445 5.558 5.415 1.00 0.52 C ATOM 253 O HIS A 39 11.473 5.532 6.161 1.00 0.67 O ATOM 254 CB HIS A 39 14.143 4.100 6.580 1.00 0.80 C ATOM 255 CG HIS A 39 14.130 4.047 8.079 1.00 1.26 C ATOM 256 ND1 HIS A 39 14.826 3.100 8.775 1.00 1.26 N ATOM 257 CD2 HIS A 39 13.523 4.826 9.010 1.00 1.99 C ATOM 258 CE1 HIS A 39 14.661 3.290 10.072 1.00 1.96 C ATOM 259 NE2 HIS A 39 13.872 4.331 10.241 1.00 2.40 N ATOM 0 H HIS A 39 13.208 7.032 7.248 1.00 0.56 H new ATOM 0 HA HIS A 39 14.560 5.663 5.158 1.00 0.60 H new ATOM 0 HB2 HIS A 39 13.402 3.397 6.200 1.00 0.80 H new ATOM 0 HB3 HIS A 39 15.116 3.759 6.227 1.00 0.80 H new ATOM 0 HD1 HIS A 39 15.388 2.359 8.357 1.00 1.26 H new ATOM 0 HD2 HIS A 39 12.885 5.676 8.818 1.00 1.99 H new ATOM 0 HE1 HIS A 39 15.098 2.694 10.859 1.00 1.96 H new ATOM 268 N ILE A 40 12.332 5.654 4.096 1.00 0.50 N ATOM 269 CA ILE A 40 11.025 5.733 3.457 1.00 0.51 C ATOM 270 C ILE A 40 10.237 4.449 3.672 1.00 0.46 C ATOM 271 O ILE A 40 10.735 3.354 3.408 1.00 0.68 O ATOM 272 CB ILE A 40 11.139 6.015 1.949 1.00 0.60 C ATOM 273 CG1 ILE A 40 11.980 7.272 1.716 1.00 1.21 C ATOM 274 CG2 ILE A 40 9.753 6.165 1.336 1.00 1.29 C ATOM 275 CD1 ILE A 40 11.907 7.809 0.303 1.00 2.23 C ATOM 0 H ILE A 40 13.123 5.679 3.452 1.00 0.50 H new ATOM 0 HA ILE A 40 10.497 6.565 3.923 1.00 0.51 H new ATOM 0 HB ILE A 40 11.635 5.174 1.464 1.00 0.60 H new ATOM 0 HG12 ILE A 40 11.652 8.049 2.406 1.00 1.21 H new ATOM 0 HG13 ILE A 40 13.020 7.051 1.956 1.00 1.21 H new ATOM 0 HG21 ILE A 40 9.847 6.364 0.269 1.00 1.29 H new ATOM 0 HG22 ILE A 40 9.188 5.245 1.485 1.00 1.29 H new ATOM 0 HG23 ILE A 40 9.231 6.993 1.815 1.00 1.29 H new ATOM 0 HD11 ILE A 40 12.530 8.700 0.220 1.00 2.23 H new ATOM 0 HD12 ILE A 40 12.264 7.050 -0.393 1.00 2.23 H new ATOM 0 HD13 ILE A 40 10.875 8.064 0.064 1.00 2.23 H new ATOM 287 N TYR A 41 9.009 4.583 4.170 1.00 0.36 N ATOM 288 CA TYR A 41 8.180 3.426 4.432 1.00 0.31 C ATOM 289 C TYR A 41 7.418 2.945 3.209 1.00 0.36 C ATOM 290 O TYR A 41 6.738 3.726 2.543 1.00 0.46 O ATOM 291 CB TYR A 41 7.184 3.684 5.543 1.00 0.31 C ATOM 292 CG TYR A 41 6.819 2.401 6.239 1.00 0.33 C ATOM 293 CD1 TYR A 41 6.134 1.399 5.573 1.00 0.30 C ATOM 294 CD2 TYR A 41 7.121 2.209 7.585 1.00 0.48 C ATOM 295 CE1 TYR A 41 5.761 0.247 6.216 1.00 0.38 C ATOM 296 CE2 TYR A 41 6.752 1.051 8.234 1.00 0.57 C ATOM 297 CZ TYR A 41 6.222 0.003 7.498 1.00 0.53 C ATOM 298 OH TYR A 41 5.696 -1.084 8.191 1.00 0.63 O ATOM 0 H TYR A 41 8.575 5.478 4.396 1.00 0.36 H new ATOM 0 HA TYR A 41 8.880 2.647 4.733 1.00 0.31 H new ATOM 0 HB2 TYR A 41 7.607 4.386 6.262 1.00 0.31 H new ATOM 0 HB3 TYR A 41 6.287 4.149 5.133 1.00 0.31 H new ATOM 0 HD1 TYR A 41 5.889 1.527 4.529 1.00 0.30 H new ATOM 0 HD2 TYR A 41 7.651 2.978 8.127 1.00 0.48 H new ATOM 0 HE1 TYR A 41 5.113 -0.464 5.726 1.00 0.38 H new ATOM 0 HE2 TYR A 41 6.874 0.961 9.303 1.00 0.57 H new ATOM 0 HH TYR A 41 6.428 -1.624 8.556 1.00 0.63 H new ATOM 308 N ALA A 42 7.481 1.637 2.950 1.00 0.47 N ATOM 309 CA ALA A 42 6.734 1.065 1.843 1.00 0.60 C ATOM 310 C ALA A 42 5.492 0.400 2.395 1.00 0.48 C ATOM 311 O ALA A 42 5.555 -0.247 3.442 1.00 0.57 O ATOM 312 CB ALA A 42 7.585 0.052 1.089 1.00 0.92 C ATOM 0 H ALA A 42 8.034 0.968 3.486 1.00 0.47 H new ATOM 0 HA ALA A 42 6.455 1.853 1.143 1.00 0.60 H new ATOM 0 HB1 ALA A 42 7.008 -0.365 0.264 1.00 0.92 H new ATOM 0 HB2 ALA A 42 8.475 0.544 0.697 1.00 0.92 H new ATOM 0 HB3 ALA A 42 7.882 -0.749 1.766 1.00 0.92 H new ATOM 318 N GLN A 43 4.355 0.567 1.726 1.00 0.45 N ATOM 319 CA GLN A 43 3.135 -0.031 2.231 1.00 0.39 C ATOM 320 C GLN A 43 1.999 -0.057 1.202 1.00 0.40 C ATOM 321 O GLN A 43 1.230 0.881 1.115 1.00 0.51 O ATOM 322 CB GLN A 43 2.694 0.736 3.476 1.00 0.39 C ATOM 323 CG GLN A 43 1.317 0.355 3.997 1.00 0.99 C ATOM 324 CD GLN A 43 0.812 1.299 5.075 1.00 1.33 C ATOM 325 OE1 GLN A 43 -0.391 1.522 5.202 1.00 2.05 O ATOM 326 NE2 GLN A 43 1.728 1.855 5.864 1.00 1.85 N ATOM 0 H GLN A 43 4.257 1.096 0.859 1.00 0.45 H new ATOM 0 HA GLN A 43 3.353 -1.072 2.468 1.00 0.39 H new ATOM 0 HB2 GLN A 43 3.426 0.572 4.267 1.00 0.39 H new ATOM 0 HB3 GLN A 43 2.701 1.803 3.252 1.00 0.39 H new ATOM 0 HG2 GLN A 43 0.610 0.347 3.168 1.00 0.99 H new ATOM 0 HG3 GLN A 43 1.352 -0.659 4.396 1.00 0.99 H new ATOM 0 HE21 GLN A 43 2.716 1.644 5.726 1.00 1.85 H new ATOM 0 HE22 GLN A 43 1.442 2.492 6.607 1.00 1.85 H new ATOM 335 N ILE A 44 1.847 -1.152 0.463 1.00 0.43 N ATOM 336 CA ILE A 44 0.739 -1.252 -0.483 1.00 0.45 C ATOM 337 C ILE A 44 -0.525 -1.527 0.316 1.00 0.48 C ATOM 338 O ILE A 44 -0.481 -2.280 1.294 1.00 0.60 O ATOM 339 CB ILE A 44 0.954 -2.374 -1.523 1.00 0.49 C ATOM 340 CG1 ILE A 44 2.326 -2.220 -2.178 1.00 0.65 C ATOM 341 CG2 ILE A 44 -0.160 -2.370 -2.582 1.00 0.51 C ATOM 342 CD1 ILE A 44 2.639 -3.306 -3.175 1.00 0.86 C ATOM 0 H ILE A 44 2.461 -1.966 0.498 1.00 0.43 H new ATOM 0 HA ILE A 44 0.665 -0.318 -1.040 1.00 0.45 H new ATOM 0 HB ILE A 44 0.915 -3.334 -1.009 1.00 0.49 H new ATOM 0 HG12 ILE A 44 2.375 -1.253 -2.678 1.00 0.65 H new ATOM 0 HG13 ILE A 44 3.092 -2.217 -1.403 1.00 0.65 H new ATOM 0 HG21 ILE A 44 0.018 -3.170 -3.300 1.00 0.51 H new ATOM 0 HG22 ILE A 44 -1.124 -2.525 -2.097 1.00 0.51 H new ATOM 0 HG23 ILE A 44 -0.165 -1.411 -3.101 1.00 0.51 H new ATOM 0 HD11 ILE A 44 3.627 -3.135 -3.601 1.00 0.86 H new ATOM 0 HD12 ILE A 44 2.622 -4.275 -2.675 1.00 0.86 H new ATOM 0 HD13 ILE A 44 1.894 -3.295 -3.971 1.00 0.86 H new ATOM 354 N ILE A 45 -1.643 -0.914 -0.059 1.00 0.52 N ATOM 355 CA ILE A 45 -2.873 -1.127 0.703 1.00 0.56 C ATOM 356 C ILE A 45 -3.944 -1.728 -0.171 1.00 0.54 C ATOM 357 O ILE A 45 -4.074 -1.344 -1.309 1.00 0.63 O ATOM 358 CB ILE A 45 -3.384 0.185 1.337 1.00 0.69 C ATOM 359 CG1 ILE A 45 -4.737 -0.029 2.025 1.00 0.76 C ATOM 360 CG2 ILE A 45 -3.481 1.287 0.291 1.00 0.82 C ATOM 361 CD1 ILE A 45 -4.718 -1.123 3.071 1.00 1.19 C ATOM 0 H ILE A 45 -1.726 -0.286 -0.858 1.00 0.52 H new ATOM 0 HA ILE A 45 -2.639 -1.823 1.508 1.00 0.56 H new ATOM 0 HB ILE A 45 -2.665 0.495 2.095 1.00 0.69 H new ATOM 0 HG12 ILE A 45 -5.049 0.905 2.493 1.00 0.76 H new ATOM 0 HG13 ILE A 45 -5.485 -0.272 1.270 1.00 0.76 H new ATOM 0 HG21 ILE A 45 -3.843 2.202 0.759 1.00 0.82 H new ATOM 0 HG22 ILE A 45 -2.497 1.466 -0.142 1.00 0.82 H new ATOM 0 HG23 ILE A 45 -4.173 0.983 -0.494 1.00 0.82 H new ATOM 0 HD11 ILE A 45 -5.709 -1.218 3.516 1.00 1.19 H new ATOM 0 HD12 ILE A 45 -4.437 -2.067 2.605 1.00 1.19 H new ATOM 0 HD13 ILE A 45 -3.995 -0.872 3.847 1.00 1.19 H new ATOM 373 N ASP A 46 -4.700 -2.678 0.365 1.00 0.53 N ATOM 374 CA ASP A 46 -5.742 -3.351 -0.415 1.00 0.59 C ATOM 375 C ASP A 46 -6.590 -2.375 -1.214 1.00 0.59 C ATOM 376 O ASP A 46 -6.540 -1.163 -1.008 1.00 0.62 O ATOM 377 CB ASP A 46 -6.660 -4.162 0.491 1.00 0.68 C ATOM 378 CG ASP A 46 -7.117 -3.382 1.710 1.00 0.66 C ATOM 379 OD1 ASP A 46 -7.940 -2.457 1.550 1.00 0.74 O ATOM 380 OD2 ASP A 46 -6.650 -3.696 2.825 1.00 0.89 O ATOM 0 H ASP A 46 -4.616 -3.001 1.329 1.00 0.53 H new ATOM 0 HA ASP A 46 -5.222 -4.010 -1.111 1.00 0.59 H new ATOM 0 HB2 ASP A 46 -7.533 -4.484 -0.077 1.00 0.68 H new ATOM 0 HB3 ASP A 46 -6.140 -5.063 0.815 1.00 0.68 H new ATOM 385 N ASP A 47 -7.341 -2.931 -2.163 1.00 0.86 N ATOM 386 CA ASP A 47 -8.177 -2.138 -3.047 1.00 0.96 C ATOM 387 C ASP A 47 -9.674 -2.478 -2.904 1.00 1.01 C ATOM 388 O ASP A 47 -10.326 -2.019 -1.966 1.00 0.96 O ATOM 389 CB ASP A 47 -7.711 -2.342 -4.492 1.00 1.17 C ATOM 390 CG ASP A 47 -8.593 -1.605 -5.479 1.00 1.66 C ATOM 391 OD1 ASP A 47 -8.895 -0.421 -5.235 1.00 2.45 O ATOM 392 OD2 ASP A 47 -8.982 -2.215 -6.497 1.00 1.96 O ATOM 0 H ASP A 47 -7.384 -3.935 -2.336 1.00 0.86 H new ATOM 0 HA ASP A 47 -8.071 -1.090 -2.765 1.00 0.96 H new ATOM 0 HB2 ASP A 47 -6.683 -1.995 -4.594 1.00 1.17 H new ATOM 0 HB3 ASP A 47 -7.713 -3.406 -4.727 1.00 1.17 H new ATOM 397 N THR A 48 -10.223 -3.257 -3.848 1.00 1.33 N ATOM 398 CA THR A 48 -11.638 -3.615 -3.827 1.00 1.52 C ATOM 399 C THR A 48 -11.867 -4.987 -3.210 1.00 1.57 C ATOM 400 O THR A 48 -12.928 -5.254 -2.644 1.00 1.64 O ATOM 401 CB THR A 48 -12.196 -3.615 -5.253 1.00 1.97 C ATOM 402 OG1 THR A 48 -11.935 -4.855 -5.888 1.00 2.28 O ATOM 403 CG2 THR A 48 -11.614 -2.528 -6.132 1.00 2.12 C ATOM 0 H THR A 48 -9.703 -3.648 -4.634 1.00 1.33 H new ATOM 0 HA THR A 48 -12.152 -2.873 -3.216 1.00 1.52 H new ATOM 0 HB THR A 48 -13.265 -3.435 -5.142 1.00 1.97 H new ATOM 0 HG1 THR A 48 -12.299 -4.840 -6.798 1.00 2.28 H new ATOM 0 HG21 THR A 48 -12.055 -2.589 -7.127 1.00 2.12 H new ATOM 0 HG22 THR A 48 -11.833 -1.553 -5.697 1.00 2.12 H new ATOM 0 HG23 THR A 48 -10.534 -2.659 -6.205 1.00 2.12 H new ATOM 411 N LYS A 49 -10.881 -5.862 -3.347 1.00 1.64 N ATOM 412 CA LYS A 49 -10.994 -7.214 -2.828 1.00 1.82 C ATOM 413 C LYS A 49 -10.267 -7.358 -1.503 1.00 2.06 C ATOM 414 O LYS A 49 -10.874 -7.721 -0.497 1.00 2.71 O ATOM 415 CB LYS A 49 -10.434 -8.212 -3.845 1.00 2.07 C ATOM 416 CG LYS A 49 -10.478 -9.655 -3.372 1.00 2.73 C ATOM 417 CD LYS A 49 -11.907 -10.161 -3.260 1.00 3.33 C ATOM 418 CE LYS A 49 -12.587 -10.222 -4.619 1.00 3.64 C ATOM 419 NZ LYS A 49 -11.890 -11.153 -5.548 1.00 4.26 N ATOM 0 H LYS A 49 -9.996 -5.659 -3.812 1.00 1.64 H new ATOM 0 HA LYS A 49 -12.050 -7.425 -2.658 1.00 1.82 H new ATOM 0 HB2 LYS A 49 -10.998 -8.126 -4.774 1.00 2.07 H new ATOM 0 HB3 LYS A 49 -9.402 -7.945 -4.073 1.00 2.07 H new ATOM 0 HG2 LYS A 49 -9.922 -10.284 -4.067 1.00 2.73 H new ATOM 0 HG3 LYS A 49 -9.985 -9.737 -2.403 1.00 2.73 H new ATOM 0 HD2 LYS A 49 -11.908 -11.152 -2.807 1.00 3.33 H new ATOM 0 HD3 LYS A 49 -12.474 -9.507 -2.598 1.00 3.33 H new ATOM 0 HE2 LYS A 49 -13.621 -10.542 -4.493 1.00 3.64 H new ATOM 0 HE3 LYS A 49 -12.613 -9.224 -5.057 1.00 3.64 H new ATOM 0 HZ1 LYS A 49 -12.508 -11.363 -6.357 1.00 4.26 H new ATOM 0 HZ2 LYS A 49 -11.012 -10.711 -5.889 1.00 4.26 H new ATOM 0 HZ3 LYS A 49 -11.662 -12.036 -5.048 1.00 4.26 H new ATOM 433 N SER A 50 -8.965 -7.067 -1.515 1.00 1.82 N ATOM 434 CA SER A 50 -8.124 -7.157 -0.319 1.00 2.14 C ATOM 435 C SER A 50 -6.660 -7.329 -0.699 1.00 1.89 C ATOM 436 O SER A 50 -6.000 -8.259 -0.234 1.00 2.60 O ATOM 437 CB SER A 50 -8.542 -8.325 0.588 1.00 2.65 C ATOM 438 OG SER A 50 -8.751 -9.507 -0.166 1.00 3.31 O ATOM 0 H SER A 50 -8.465 -6.763 -2.350 1.00 1.82 H new ATOM 0 HA SER A 50 -8.257 -6.224 0.228 1.00 2.14 H new ATOM 0 HB2 SER A 50 -7.771 -8.500 1.339 1.00 2.65 H new ATOM 0 HB3 SER A 50 -9.455 -8.065 1.123 1.00 2.65 H new ATOM 0 HG SER A 50 -9.015 -10.236 0.434 1.00 3.31 H new ATOM 444 N ALA A 51 -6.147 -6.429 -1.535 1.00 1.33 N ATOM 445 CA ALA A 51 -4.750 -6.496 -1.946 1.00 1.15 C ATOM 446 C ALA A 51 -3.856 -6.443 -0.717 1.00 1.13 C ATOM 447 O ALA A 51 -4.316 -6.672 0.401 1.00 1.56 O ATOM 448 CB ALA A 51 -4.409 -5.364 -2.905 1.00 1.20 C ATOM 0 H ALA A 51 -6.673 -5.653 -1.937 1.00 1.33 H new ATOM 0 HA ALA A 51 -4.583 -7.437 -2.471 1.00 1.15 H new ATOM 0 HB1 ALA A 51 -3.361 -5.437 -3.196 1.00 1.20 H new ATOM 0 HB2 ALA A 51 -5.038 -5.437 -3.792 1.00 1.20 H new ATOM 0 HB3 ALA A 51 -4.583 -4.406 -2.414 1.00 1.20 H new ATOM 454 N THR A 52 -2.587 -6.138 -0.909 1.00 1.05 N ATOM 455 CA THR A 52 -1.678 -6.068 0.215 1.00 1.07 C ATOM 456 C THR A 52 -2.045 -4.918 1.136 1.00 0.91 C ATOM 457 O THR A 52 -2.270 -3.792 0.693 1.00 1.28 O ATOM 458 CB THR A 52 -0.235 -5.941 -0.268 1.00 1.64 C ATOM 459 OG1 THR A 52 -0.167 -5.139 -1.432 1.00 2.30 O ATOM 460 CG2 THR A 52 0.406 -7.274 -0.589 1.00 2.34 C ATOM 0 H THR A 52 -2.169 -5.938 -1.817 1.00 1.05 H new ATOM 0 HA THR A 52 -1.766 -6.994 0.783 1.00 1.07 H new ATOM 0 HB THR A 52 0.310 -5.484 0.558 1.00 1.64 H new ATOM 0 HG1 THR A 52 -0.919 -4.511 -1.441 1.00 2.30 H new ATOM 0 HG21 THR A 52 1.430 -7.113 -0.926 1.00 2.34 H new ATOM 0 HG22 THR A 52 0.412 -7.899 0.304 1.00 2.34 H new ATOM 0 HG23 THR A 52 -0.162 -7.771 -1.376 1.00 2.34 H new ATOM 468 N ILE A 53 -2.110 -5.220 2.426 1.00 1.13 N ATOM 469 CA ILE A 53 -2.449 -4.228 3.431 1.00 1.60 C ATOM 470 C ILE A 53 -1.199 -3.784 4.172 1.00 1.49 C ATOM 471 O ILE A 53 -1.272 -3.307 5.304 1.00 2.03 O ATOM 472 CB ILE A 53 -3.461 -4.785 4.453 1.00 2.38 C ATOM 473 CG1 ILE A 53 -4.484 -5.685 3.756 1.00 2.64 C ATOM 474 CG2 ILE A 53 -4.158 -3.648 5.183 1.00 3.14 C ATOM 475 CD1 ILE A 53 -5.501 -6.291 4.698 1.00 2.95 C ATOM 0 H ILE A 53 -1.931 -6.152 2.800 1.00 1.13 H new ATOM 0 HA ILE A 53 -2.900 -3.381 2.915 1.00 1.60 H new ATOM 0 HB ILE A 53 -2.920 -5.384 5.186 1.00 2.38 H new ATOM 0 HG12 ILE A 53 -5.007 -5.105 2.995 1.00 2.64 H new ATOM 0 HG13 ILE A 53 -3.957 -6.487 3.239 1.00 2.64 H new ATOM 0 HG21 ILE A 53 -4.869 -4.058 5.900 1.00 3.14 H new ATOM 0 HG22 ILE A 53 -3.418 -3.046 5.709 1.00 3.14 H new ATOM 0 HG23 ILE A 53 -4.688 -3.024 4.463 1.00 3.14 H new ATOM 0 HD11 ILE A 53 -6.193 -6.916 4.133 1.00 2.95 H new ATOM 0 HD12 ILE A 53 -4.989 -6.899 5.444 1.00 2.95 H new ATOM 0 HD13 ILE A 53 -6.055 -5.495 5.196 1.00 2.95 H new ATOM 487 N VAL A 54 -0.044 -3.951 3.531 1.00 0.90 N ATOM 488 CA VAL A 54 1.213 -3.572 4.144 1.00 0.93 C ATOM 489 C VAL A 54 2.363 -3.714 3.145 1.00 0.65 C ATOM 490 O VAL A 54 2.153 -3.654 1.933 1.00 0.59 O ATOM 491 CB VAL A 54 1.468 -4.410 5.431 1.00 1.31 C ATOM 492 CG1 VAL A 54 2.144 -5.748 5.139 1.00 1.86 C ATOM 493 CG2 VAL A 54 2.246 -3.607 6.466 1.00 2.03 C ATOM 0 H VAL A 54 0.041 -4.344 2.594 1.00 0.90 H new ATOM 0 HA VAL A 54 1.157 -2.524 4.437 1.00 0.93 H new ATOM 0 HB VAL A 54 0.490 -4.645 5.851 1.00 1.31 H new ATOM 0 HG11 VAL A 54 2.297 -6.290 6.072 1.00 1.86 H new ATOM 0 HG12 VAL A 54 1.511 -6.338 4.477 1.00 1.86 H new ATOM 0 HG13 VAL A 54 3.107 -5.572 4.659 1.00 1.86 H new ATOM 0 HG21 VAL A 54 2.409 -4.218 7.354 1.00 2.03 H new ATOM 0 HG22 VAL A 54 3.208 -3.310 6.048 1.00 2.03 H new ATOM 0 HG23 VAL A 54 1.678 -2.717 6.738 1.00 2.03 H new ATOM 503 N SER A 55 3.565 -3.897 3.663 1.00 0.71 N ATOM 504 CA SER A 55 4.756 -4.045 2.841 1.00 0.61 C ATOM 505 C SER A 55 5.973 -4.217 3.739 1.00 0.71 C ATOM 506 O SER A 55 6.143 -5.268 4.359 1.00 0.96 O ATOM 507 CB SER A 55 4.899 -2.845 1.904 1.00 0.64 C ATOM 508 OG SER A 55 6.014 -2.985 1.045 1.00 1.38 O ATOM 0 H SER A 55 3.744 -3.947 4.666 1.00 0.71 H new ATOM 0 HA SER A 55 4.671 -4.935 2.217 1.00 0.61 H new ATOM 0 HB2 SER A 55 3.992 -2.737 1.309 1.00 0.64 H new ATOM 0 HB3 SER A 55 5.005 -1.934 2.493 1.00 0.64 H new ATOM 0 HG SER A 55 5.986 -2.288 0.356 1.00 1.38 H new ATOM 514 N ALA A 56 6.812 -3.199 3.831 1.00 0.63 N ATOM 515 CA ALA A 56 7.985 -3.288 4.683 1.00 0.77 C ATOM 516 C ALA A 56 8.836 -2.026 4.686 1.00 0.58 C ATOM 517 O ALA A 56 9.045 -1.372 3.651 1.00 0.59 O ATOM 518 CB ALA A 56 8.837 -4.463 4.269 1.00 1.17 C ATOM 0 H ALA A 56 6.706 -2.314 3.335 1.00 0.63 H new ATOM 0 HA ALA A 56 7.611 -3.420 5.698 1.00 0.77 H new ATOM 0 HB1 ALA A 56 9.714 -4.521 4.914 1.00 1.17 H new ATOM 0 HB2 ALA A 56 8.258 -5.382 4.360 1.00 1.17 H new ATOM 0 HB3 ALA A 56 9.155 -4.335 3.234 1.00 1.17 H new ATOM 524 N SER A 57 9.332 -1.712 5.875 1.00 0.52 N ATOM 525 CA SER A 57 10.213 -0.581 6.076 1.00 0.47 C ATOM 526 C SER A 57 10.836 -0.600 7.458 1.00 0.59 C ATOM 527 O SER A 57 10.133 -0.537 8.457 1.00 0.87 O ATOM 528 CB SER A 57 9.514 0.707 5.786 1.00 0.51 C ATOM 529 OG SER A 57 9.391 0.857 4.386 1.00 1.46 O ATOM 0 H SER A 57 9.132 -2.238 6.726 1.00 0.52 H new ATOM 0 HA SER A 57 11.033 -0.665 5.363 1.00 0.47 H new ATOM 0 HB2 SER A 57 8.529 0.715 6.254 1.00 0.51 H new ATOM 0 HB3 SER A 57 10.074 1.542 6.207 1.00 0.51 H new ATOM 0 HG SER A 57 9.641 0.019 3.944 1.00 1.46 H new ATOM 535 N THR A 58 12.157 -0.687 7.501 1.00 0.75 N ATOM 536 CA THR A 58 12.920 -0.722 8.747 1.00 0.94 C ATOM 537 C THR A 58 12.179 -1.480 9.846 1.00 1.00 C ATOM 538 O THR A 58 12.293 -1.164 11.030 1.00 1.41 O ATOM 539 CB THR A 58 13.241 0.694 9.211 1.00 1.24 C ATOM 540 OG1 THR A 58 14.237 0.675 10.218 1.00 1.39 O ATOM 541 CG2 THR A 58 12.042 1.433 9.766 1.00 1.99 C ATOM 0 H THR A 58 12.739 -0.736 6.665 1.00 0.75 H new ATOM 0 HA THR A 58 13.850 -1.255 8.547 1.00 0.94 H new ATOM 0 HB THR A 58 13.586 1.218 8.320 1.00 1.24 H new ATOM 0 HG1 THR A 58 13.999 0.013 10.901 1.00 1.39 H new ATOM 0 HG21 THR A 58 12.343 2.433 10.077 1.00 1.99 H new ATOM 0 HG22 THR A 58 11.273 1.508 8.997 1.00 1.99 H new ATOM 0 HG23 THR A 58 11.645 0.890 10.624 1.00 1.99 H new ATOM 549 N LEU A 59 11.423 -2.481 9.428 1.00 1.17 N ATOM 550 CA LEU A 59 10.648 -3.309 10.337 1.00 1.34 C ATOM 551 C LEU A 59 10.767 -4.769 9.921 1.00 1.38 C ATOM 552 O LEU A 59 10.955 -5.652 10.758 1.00 1.80 O ATOM 553 CB LEU A 59 9.178 -2.868 10.347 1.00 1.71 C ATOM 554 CG LEU A 59 8.837 -1.747 11.338 1.00 1.41 C ATOM 555 CD1 LEU A 59 8.613 -0.425 10.614 1.00 1.74 C ATOM 556 CD2 LEU A 59 7.609 -2.120 12.154 1.00 1.87 C ATOM 0 H LEU A 59 11.329 -2.743 8.447 1.00 1.17 H new ATOM 0 HA LEU A 59 11.040 -3.194 11.347 1.00 1.34 H new ATOM 0 HB2 LEU A 59 8.908 -2.538 9.344 1.00 1.71 H new ATOM 0 HB3 LEU A 59 8.557 -3.734 10.576 1.00 1.71 H new ATOM 0 HG LEU A 59 9.683 -1.622 12.013 1.00 1.41 H new ATOM 0 HD11 LEU A 59 8.373 0.352 11.340 1.00 1.74 H new ATOM 0 HD12 LEU A 59 9.518 -0.149 10.073 1.00 1.74 H new ATOM 0 HD13 LEU A 59 7.788 -0.531 9.910 1.00 1.74 H new ATOM 0 HD21 LEU A 59 7.379 -1.316 12.853 1.00 1.87 H new ATOM 0 HD22 LEU A 59 6.762 -2.274 11.486 1.00 1.87 H new ATOM 0 HD23 LEU A 59 7.806 -3.037 12.709 1.00 1.87 H new ATOM 568 N ASP A 60 10.673 -5.013 8.613 1.00 1.26 N ATOM 569 CA ASP A 60 10.790 -6.362 8.078 1.00 1.54 C ATOM 570 C ASP A 60 12.062 -7.029 8.597 1.00 1.37 C ATOM 571 O ASP A 60 12.925 -6.369 9.177 1.00 1.36 O ATOM 572 CB ASP A 60 10.803 -6.320 6.547 1.00 2.10 C ATOM 573 CG ASP A 60 10.688 -7.699 5.926 1.00 2.87 C ATOM 574 OD1 ASP A 60 9.547 -8.172 5.738 1.00 3.56 O ATOM 575 OD2 ASP A 60 11.738 -8.305 5.626 1.00 3.17 O ATOM 0 H ASP A 60 10.516 -4.292 7.909 1.00 1.26 H new ATOM 0 HA ASP A 60 9.931 -6.946 8.408 1.00 1.54 H new ATOM 0 HB2 ASP A 60 9.979 -5.698 6.197 1.00 2.10 H new ATOM 0 HB3 ASP A 60 11.725 -5.848 6.208 1.00 2.10 H new ATOM 580 N LYS A 61 12.174 -8.337 8.392 1.00 1.65 N ATOM 581 CA LYS A 61 13.342 -9.084 8.849 1.00 1.85 C ATOM 582 C LYS A 61 14.463 -9.052 7.812 1.00 1.82 C ATOM 583 O LYS A 61 15.620 -8.792 8.141 1.00 1.93 O ATOM 584 CB LYS A 61 12.957 -10.535 9.152 1.00 2.35 C ATOM 585 CG LYS A 61 11.851 -10.664 10.188 1.00 2.39 C ATOM 586 CD LYS A 61 11.488 -12.119 10.443 1.00 2.98 C ATOM 587 CE LYS A 61 12.670 -12.903 10.989 1.00 3.67 C ATOM 588 NZ LYS A 61 12.326 -14.330 11.236 1.00 4.11 N ATOM 0 H LYS A 61 11.472 -8.902 7.913 1.00 1.65 H new ATOM 0 HA LYS A 61 13.706 -8.608 9.760 1.00 1.85 H new ATOM 0 HB2 LYS A 61 12.638 -11.019 8.229 1.00 2.35 H new ATOM 0 HB3 LYS A 61 13.838 -11.071 9.504 1.00 2.35 H new ATOM 0 HG2 LYS A 61 12.170 -10.199 11.121 1.00 2.39 H new ATOM 0 HG3 LYS A 61 10.968 -10.123 9.848 1.00 2.39 H new ATOM 0 HD2 LYS A 61 10.660 -12.169 11.150 1.00 2.98 H new ATOM 0 HD3 LYS A 61 11.144 -12.577 9.515 1.00 2.98 H new ATOM 0 HE2 LYS A 61 13.499 -12.847 10.284 1.00 3.67 H new ATOM 0 HE3 LYS A 61 13.010 -12.446 11.918 1.00 3.67 H new ATOM 0 HZ1 LYS A 61 13.159 -14.829 11.608 1.00 4.11 H new ATOM 0 HZ2 LYS A 61 11.552 -14.386 11.928 1.00 4.11 H new ATOM 0 HZ3 LYS A 61 12.026 -14.774 10.345 1.00 4.11 H new ATOM 602 N GLU A 62 14.110 -9.328 6.560 1.00 1.86 N ATOM 603 CA GLU A 62 15.083 -9.346 5.473 1.00 1.95 C ATOM 604 C GLU A 62 15.917 -8.066 5.436 1.00 1.79 C ATOM 605 O GLU A 62 17.094 -8.096 5.075 1.00 1.95 O ATOM 606 CB GLU A 62 14.371 -9.545 4.133 1.00 2.09 C ATOM 607 CG GLU A 62 13.536 -10.815 4.072 1.00 2.41 C ATOM 608 CD GLU A 62 14.361 -12.066 4.305 1.00 3.00 C ATOM 609 OE1 GLU A 62 14.996 -12.547 3.343 1.00 3.80 O ATOM 610 OE2 GLU A 62 14.368 -12.568 5.449 1.00 3.14 O ATOM 0 H GLU A 62 13.155 -9.543 6.273 1.00 1.86 H new ATOM 0 HA GLU A 62 15.762 -10.180 5.652 1.00 1.95 H new ATOM 0 HB2 GLU A 62 13.727 -8.687 3.942 1.00 2.09 H new ATOM 0 HB3 GLU A 62 15.114 -9.570 3.336 1.00 2.09 H new ATOM 0 HG2 GLU A 62 12.745 -10.762 4.820 1.00 2.41 H new ATOM 0 HG3 GLU A 62 13.051 -10.880 3.098 1.00 2.41 H new ATOM 617 N PHE A 63 15.309 -6.941 5.810 1.00 1.55 N ATOM 618 CA PHE A 63 16.015 -5.658 5.813 1.00 1.41 C ATOM 619 C PHE A 63 17.365 -5.777 6.500 1.00 1.54 C ATOM 620 O PHE A 63 18.392 -5.377 5.953 1.00 1.79 O ATOM 621 CB PHE A 63 15.171 -4.581 6.497 1.00 1.10 C ATOM 622 CG PHE A 63 14.145 -3.983 5.584 1.00 0.91 C ATOM 623 CD1 PHE A 63 13.473 -4.782 4.681 1.00 1.23 C ATOM 624 CD2 PHE A 63 13.869 -2.626 5.613 1.00 0.72 C ATOM 625 CE1 PHE A 63 12.536 -4.244 3.824 1.00 1.22 C ATOM 626 CE2 PHE A 63 12.932 -2.081 4.752 1.00 0.88 C ATOM 627 CZ PHE A 63 12.264 -2.894 3.859 1.00 1.02 C ATOM 0 H PHE A 63 14.336 -6.890 6.113 1.00 1.55 H new ATOM 0 HA PHE A 63 16.183 -5.369 4.776 1.00 1.41 H new ATOM 0 HB2 PHE A 63 14.672 -5.013 7.364 1.00 1.10 H new ATOM 0 HB3 PHE A 63 15.826 -3.792 6.867 1.00 1.10 H new ATOM 0 HD1 PHE A 63 13.683 -5.841 4.645 1.00 1.23 H new ATOM 0 HD2 PHE A 63 14.389 -1.988 6.313 1.00 0.72 H new ATOM 0 HE1 PHE A 63 12.015 -4.881 3.125 1.00 1.22 H new ATOM 0 HE2 PHE A 63 12.724 -1.022 4.779 1.00 0.88 H new ATOM 0 HZ PHE A 63 11.529 -2.473 3.189 1.00 1.02 H new ATOM 637 N GLY A 64 17.356 -6.338 7.698 1.00 1.52 N ATOM 638 CA GLY A 64 18.584 -6.512 8.437 1.00 1.73 C ATOM 639 C GLY A 64 18.523 -5.884 9.814 1.00 1.66 C ATOM 640 O GLY A 64 18.927 -4.737 10.000 1.00 2.32 O ATOM 0 H GLY A 64 16.518 -6.676 8.171 1.00 1.52 H new ATOM 0 HA2 GLY A 64 18.798 -7.576 8.535 1.00 1.73 H new ATOM 0 HA3 GLY A 64 19.408 -6.071 7.876 1.00 1.73 H new ATOM 644 N LEU A 65 18.011 -6.637 10.781 1.00 1.73 N ATOM 645 CA LEU A 65 17.891 -6.144 12.148 1.00 2.08 C ATOM 646 C LEU A 65 17.183 -4.792 12.172 1.00 2.04 C ATOM 647 O LEU A 65 17.358 -4.002 13.099 1.00 2.62 O ATOM 648 CB LEU A 65 19.274 -6.025 12.793 1.00 2.62 C ATOM 649 CG LEU A 65 19.268 -5.829 14.310 1.00 2.98 C ATOM 650 CD1 LEU A 65 18.665 -7.041 15.001 1.00 3.23 C ATOM 651 CD2 LEU A 65 20.678 -5.570 14.818 1.00 3.51 C ATOM 0 H LEU A 65 17.673 -7.590 10.644 1.00 1.73 H new ATOM 0 HA LEU A 65 17.296 -6.857 12.719 1.00 2.08 H new ATOM 0 HB2 LEU A 65 19.845 -6.924 12.561 1.00 2.62 H new ATOM 0 HB3 LEU A 65 19.800 -5.187 12.336 1.00 2.62 H new ATOM 0 HG LEU A 65 18.653 -4.960 14.544 1.00 2.98 H new ATOM 0 HD11 LEU A 65 18.669 -6.884 16.080 1.00 3.23 H new ATOM 0 HD12 LEU A 65 17.640 -7.183 14.659 1.00 3.23 H new ATOM 0 HD13 LEU A 65 19.253 -7.927 14.761 1.00 3.23 H new ATOM 0 HD21 LEU A 65 20.656 -5.433 15.899 1.00 3.51 H new ATOM 0 HD22 LEU A 65 21.315 -6.420 14.573 1.00 3.51 H new ATOM 0 HD23 LEU A 65 21.075 -4.671 14.346 1.00 3.51 H new ATOM 663 N ASP A 66 16.378 -4.533 11.142 1.00 1.94 N ATOM 664 CA ASP A 66 15.640 -3.280 11.043 1.00 2.04 C ATOM 665 C ASP A 66 16.581 -2.098 10.857 1.00 1.41 C ATOM 666 O ASP A 66 17.514 -1.900 11.636 1.00 1.89 O ATOM 667 CB ASP A 66 14.775 -3.073 12.287 1.00 2.97 C ATOM 668 CG ASP A 66 13.878 -4.262 12.570 1.00 4.03 C ATOM 669 OD1 ASP A 66 12.796 -4.348 11.953 1.00 4.70 O ATOM 670 OD2 ASP A 66 14.258 -5.106 13.407 1.00 4.42 O ATOM 0 H ASP A 66 16.222 -5.176 10.366 1.00 1.94 H new ATOM 0 HA ASP A 66 14.995 -3.340 10.167 1.00 2.04 H new ATOM 0 HB2 ASP A 66 15.419 -2.893 13.148 1.00 2.97 H new ATOM 0 HB3 ASP A 66 14.162 -2.181 12.156 1.00 2.97 H new ATOM 675 N SER A 67 16.326 -1.316 9.812 1.00 1.46 N ATOM 676 CA SER A 67 17.140 -0.146 9.503 1.00 2.04 C ATOM 677 C SER A 67 16.796 0.441 8.139 1.00 2.10 C ATOM 678 O SER A 67 16.942 1.642 7.924 1.00 2.64 O ATOM 679 CB SER A 67 18.624 -0.505 9.538 1.00 2.55 C ATOM 680 OG SER A 67 18.852 -1.794 8.991 1.00 2.95 O ATOM 0 H SER A 67 15.557 -1.474 9.161 1.00 1.46 H new ATOM 0 HA SER A 67 16.924 0.605 10.263 1.00 2.04 H new ATOM 0 HB2 SER A 67 19.194 0.237 8.978 1.00 2.55 H new ATOM 0 HB3 SER A 67 18.984 -0.474 10.566 1.00 2.55 H new ATOM 0 HG SER A 67 19.810 -1.999 9.024 1.00 2.95 H new ATOM 686 N THR A 68 16.375 -0.421 7.216 1.00 1.67 N ATOM 687 CA THR A 68 16.044 0.000 5.853 1.00 1.78 C ATOM 688 C THR A 68 17.310 0.449 5.148 1.00 1.59 C ATOM 689 O THR A 68 17.819 -0.230 4.256 1.00 2.23 O ATOM 690 CB THR A 68 15.021 1.143 5.845 1.00 2.14 C ATOM 691 OG1 THR A 68 13.758 0.690 6.266 1.00 2.77 O ATOM 692 CG2 THR A 68 14.837 1.788 4.485 1.00 2.70 C ATOM 0 H THR A 68 16.254 -1.419 7.386 1.00 1.67 H new ATOM 0 HA THR A 68 15.600 -0.849 5.334 1.00 1.78 H new ATOM 0 HB THR A 68 15.429 1.886 6.530 1.00 2.14 H new ATOM 0 HG1 THR A 68 13.058 1.221 5.832 1.00 2.77 H new ATOM 0 HG21 THR A 68 14.099 2.587 4.558 1.00 2.70 H new ATOM 0 HG22 THR A 68 15.787 2.201 4.147 1.00 2.70 H new ATOM 0 HG23 THR A 68 14.492 1.040 3.771 1.00 2.70 H new ATOM 700 N ASN A 69 17.816 1.601 5.567 1.00 1.07 N ATOM 701 CA ASN A 69 19.027 2.155 4.993 1.00 1.18 C ATOM 702 C ASN A 69 18.910 2.217 3.476 1.00 1.14 C ATOM 703 O ASN A 69 19.118 1.220 2.786 1.00 2.00 O ATOM 704 CB ASN A 69 20.231 1.309 5.411 1.00 1.57 C ATOM 705 CG ASN A 69 20.805 1.735 6.750 1.00 1.96 C ATOM 706 OD1 ASN A 69 22.014 1.659 6.969 1.00 2.86 O ATOM 707 ND2 ASN A 69 19.941 2.181 7.657 1.00 1.89 N ATOM 0 H ASN A 69 17.402 2.169 6.306 1.00 1.07 H new ATOM 0 HA ASN A 69 19.169 3.170 5.364 1.00 1.18 H new ATOM 0 HB2 ASN A 69 19.934 0.262 5.464 1.00 1.57 H new ATOM 0 HB3 ASN A 69 21.005 1.383 4.647 1.00 1.57 H new ATOM 0 HD21 ASN A 69 20.273 2.476 8.575 1.00 1.89 H new ATOM 0 HD22 ASN A 69 18.947 2.228 7.434 1.00 1.89 H new ATOM 714 N ASN A 70 18.552 3.393 2.970 1.00 1.04 N ATOM 715 CA ASN A 70 18.379 3.597 1.536 1.00 1.32 C ATOM 716 C ASN A 70 17.152 2.837 1.040 1.00 1.16 C ATOM 717 O ASN A 70 16.820 1.771 1.560 1.00 1.05 O ATOM 718 CB ASN A 70 19.627 3.151 0.767 1.00 1.70 C ATOM 719 CG ASN A 70 19.515 3.389 -0.729 1.00 1.67 C ATOM 720 OD1 ASN A 70 19.969 2.573 -1.530 1.00 2.23 O ATOM 721 ND2 ASN A 70 18.923 4.514 -1.117 1.00 1.52 N ATOM 0 H ASN A 70 18.375 4.223 3.535 1.00 1.04 H new ATOM 0 HA ASN A 70 18.231 4.662 1.357 1.00 1.32 H new ATOM 0 HB2 ASN A 70 20.495 3.687 1.151 1.00 1.70 H new ATOM 0 HB3 ASN A 70 19.800 2.090 0.949 1.00 1.70 H new ATOM 0 HD21 ASN A 70 18.832 4.726 -2.111 1.00 1.52 H new ATOM 0 HD22 ASN A 70 18.559 5.165 -0.421 1.00 1.52 H new ATOM 728 N ILE A 71 16.473 3.395 0.044 1.00 1.26 N ATOM 729 CA ILE A 71 15.275 2.774 -0.509 1.00 1.24 C ATOM 730 C ILE A 71 15.511 1.314 -0.902 1.00 1.02 C ATOM 731 O ILE A 71 14.560 0.541 -1.028 1.00 0.95 O ATOM 732 CB ILE A 71 14.760 3.553 -1.736 1.00 1.56 C ATOM 733 CG1 ILE A 71 13.369 3.061 -2.131 1.00 1.60 C ATOM 734 CG2 ILE A 71 15.731 3.421 -2.900 1.00 2.25 C ATOM 735 CD1 ILE A 71 12.286 3.484 -1.161 1.00 1.84 C ATOM 0 H ILE A 71 16.732 4.277 -0.397 1.00 1.26 H new ATOM 0 HA ILE A 71 14.523 2.801 0.280 1.00 1.24 H new ATOM 0 HB ILE A 71 14.689 4.608 -1.473 1.00 1.56 H new ATOM 0 HG12 ILE A 71 13.126 3.439 -3.124 1.00 1.60 H new ATOM 0 HG13 ILE A 71 13.382 1.973 -2.199 1.00 1.60 H new ATOM 0 HG21 ILE A 71 15.350 3.977 -3.756 1.00 2.25 H new ATOM 0 HG22 ILE A 71 16.703 3.821 -2.610 1.00 2.25 H new ATOM 0 HG23 ILE A 71 15.837 2.370 -3.168 1.00 2.25 H new ATOM 0 HD11 ILE A 71 11.324 3.102 -1.501 1.00 1.84 H new ATOM 0 HD12 ILE A 71 12.507 3.083 -0.172 1.00 1.84 H new ATOM 0 HD13 ILE A 71 12.247 4.572 -1.111 1.00 1.84 H new ATOM 747 N GLU A 72 16.775 0.938 -1.102 1.00 1.00 N ATOM 748 CA GLU A 72 17.115 -0.435 -1.485 1.00 0.97 C ATOM 749 C GLU A 72 16.327 -1.453 -0.659 1.00 0.79 C ATOM 750 O GLU A 72 15.680 -2.344 -1.208 1.00 0.78 O ATOM 751 CB GLU A 72 18.616 -0.676 -1.313 1.00 1.11 C ATOM 752 CG GLU A 72 19.036 -2.109 -1.595 1.00 1.49 C ATOM 753 CD GLU A 72 20.528 -2.323 -1.424 1.00 1.95 C ATOM 754 OE1 GLU A 72 21.274 -2.103 -2.401 1.00 2.41 O ATOM 755 OE2 GLU A 72 20.950 -2.710 -0.314 1.00 2.49 O ATOM 0 H GLU A 72 17.577 1.561 -1.006 1.00 1.00 H new ATOM 0 HA GLU A 72 16.847 -0.566 -2.533 1.00 0.97 H new ATOM 0 HB2 GLU A 72 19.162 -0.008 -1.979 1.00 1.11 H new ATOM 0 HB3 GLU A 72 18.903 -0.415 -0.294 1.00 1.11 H new ATOM 0 HG2 GLU A 72 18.497 -2.780 -0.926 1.00 1.49 H new ATOM 0 HG3 GLU A 72 18.749 -2.375 -2.612 1.00 1.49 H new ATOM 762 N ALA A 73 16.379 -1.306 0.661 1.00 0.70 N ATOM 763 CA ALA A 73 15.661 -2.202 1.560 1.00 0.60 C ATOM 764 C ALA A 73 14.158 -2.071 1.355 1.00 0.54 C ATOM 765 O ALA A 73 13.457 -3.068 1.158 1.00 0.56 O ATOM 766 CB ALA A 73 16.029 -1.911 3.006 1.00 0.66 C ATOM 0 H ALA A 73 16.911 -0.574 1.132 1.00 0.70 H new ATOM 0 HA ALA A 73 15.951 -3.227 1.330 1.00 0.60 H new ATOM 0 HB1 ALA A 73 15.484 -2.589 3.663 1.00 0.66 H new ATOM 0 HB2 ALA A 73 17.101 -2.054 3.145 1.00 0.66 H new ATOM 0 HB3 ALA A 73 15.766 -0.881 3.248 1.00 0.66 H new ATOM 772 N ALA A 74 13.664 -0.833 1.385 1.00 0.56 N ATOM 773 CA ALA A 74 12.243 -0.577 1.183 1.00 0.65 C ATOM 774 C ALA A 74 11.770 -1.261 -0.092 1.00 0.63 C ATOM 775 O ALA A 74 10.615 -1.671 -0.204 1.00 0.73 O ATOM 776 CB ALA A 74 11.966 0.919 1.122 1.00 0.77 C ATOM 0 H ALA A 74 14.226 0.003 1.547 1.00 0.56 H new ATOM 0 HA ALA A 74 11.691 -0.986 2.029 1.00 0.65 H new ATOM 0 HB1 ALA A 74 10.899 1.086 0.971 1.00 0.77 H new ATOM 0 HB2 ALA A 74 12.277 1.385 2.057 1.00 0.77 H new ATOM 0 HB3 ALA A 74 12.523 1.359 0.295 1.00 0.77 H new ATOM 782 N LYS A 75 12.690 -1.392 -1.044 1.00 0.60 N ATOM 783 CA LYS A 75 12.396 -2.041 -2.311 1.00 0.69 C ATOM 784 C LYS A 75 12.554 -3.553 -2.184 1.00 0.68 C ATOM 785 O LYS A 75 11.910 -4.317 -2.903 1.00 0.81 O ATOM 786 CB LYS A 75 13.322 -1.513 -3.407 1.00 0.81 C ATOM 787 CG LYS A 75 13.178 -2.248 -4.729 1.00 1.26 C ATOM 788 CD LYS A 75 14.232 -1.805 -5.730 1.00 1.49 C ATOM 789 CE LYS A 75 14.127 -2.587 -7.029 1.00 1.90 C ATOM 790 NZ LYS A 75 15.200 -2.217 -7.993 1.00 2.16 N ATOM 0 H LYS A 75 13.649 -1.054 -0.958 1.00 0.60 H new ATOM 0 HA LYS A 75 11.364 -1.815 -2.580 1.00 0.69 H new ATOM 0 HB2 LYS A 75 13.118 -0.454 -3.565 1.00 0.81 H new ATOM 0 HB3 LYS A 75 14.355 -1.591 -3.068 1.00 0.81 H new ATOM 0 HG2 LYS A 75 13.263 -3.322 -4.561 1.00 1.26 H new ATOM 0 HG3 LYS A 75 12.185 -2.067 -5.141 1.00 1.26 H new ATOM 0 HD2 LYS A 75 14.117 -0.740 -5.934 1.00 1.49 H new ATOM 0 HD3 LYS A 75 15.224 -1.942 -5.300 1.00 1.49 H new ATOM 0 HE2 LYS A 75 14.185 -3.654 -6.815 1.00 1.90 H new ATOM 0 HE3 LYS A 75 13.153 -2.405 -7.484 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 15.091 -2.774 -8.865 1.00 2.16 H new ATOM 0 HZ2 LYS A 75 15.130 -1.204 -8.218 1.00 2.16 H new ATOM 0 HZ3 LYS A 75 16.130 -2.414 -7.570 1.00 2.16 H new ATOM 804 N LYS A 76 13.423 -3.979 -1.267 1.00 0.60 N ATOM 805 CA LYS A 76 13.668 -5.402 -1.056 1.00 0.66 C ATOM 806 C LYS A 76 12.362 -6.139 -0.786 1.00 0.60 C ATOM 807 O LYS A 76 11.923 -6.979 -1.579 1.00 0.68 O ATOM 808 CB LYS A 76 14.620 -5.605 0.127 1.00 0.73 C ATOM 809 CG LYS A 76 14.890 -7.066 0.444 1.00 0.96 C ATOM 810 CD LYS A 76 15.370 -7.248 1.877 1.00 1.23 C ATOM 811 CE LYS A 76 16.576 -6.373 2.177 1.00 2.08 C ATOM 812 NZ LYS A 76 17.738 -6.714 1.313 1.00 2.52 N ATOM 0 H LYS A 76 13.965 -3.362 -0.663 1.00 0.60 H new ATOM 0 HA LYS A 76 14.122 -5.806 -1.961 1.00 0.66 H new ATOM 0 HB2 LYS A 76 15.566 -5.107 -0.088 1.00 0.73 H new ATOM 0 HB3 LYS A 76 14.199 -5.122 1.009 1.00 0.73 H new ATOM 0 HG2 LYS A 76 13.981 -7.647 0.287 1.00 0.96 H new ATOM 0 HG3 LYS A 76 15.640 -7.456 -0.244 1.00 0.96 H new ATOM 0 HD2 LYS A 76 14.562 -7.004 2.566 1.00 1.23 H new ATOM 0 HD3 LYS A 76 15.627 -8.294 2.045 1.00 1.23 H new ATOM 0 HE2 LYS A 76 16.310 -5.326 2.031 1.00 2.08 H new ATOM 0 HE3 LYS A 76 16.856 -6.488 3.224 1.00 2.08 H new ATOM 0 HZ1 LYS A 76 18.573 -6.179 1.627 1.00 2.52 H new ATOM 0 HZ2 LYS A 76 17.934 -7.733 1.381 1.00 2.52 H new ATOM 0 HZ3 LYS A 76 17.521 -6.468 0.326 1.00 2.52 H new ATOM 826 N VAL A 77 11.724 -5.798 0.325 1.00 0.54 N ATOM 827 CA VAL A 77 10.456 -6.414 0.679 1.00 0.59 C ATOM 828 C VAL A 77 9.323 -5.689 -0.027 1.00 0.57 C ATOM 829 O VAL A 77 8.325 -6.300 -0.410 1.00 0.62 O ATOM 830 CB VAL A 77 10.218 -6.414 2.198 1.00 0.76 C ATOM 831 CG1 VAL A 77 8.854 -7.003 2.529 1.00 1.04 C ATOM 832 CG2 VAL A 77 11.320 -7.184 2.911 1.00 1.61 C ATOM 0 H VAL A 77 12.062 -5.103 0.991 1.00 0.54 H new ATOM 0 HA VAL A 77 10.489 -7.455 0.356 1.00 0.59 H new ATOM 0 HB VAL A 77 10.238 -5.382 2.547 1.00 0.76 H new ATOM 0 HG11 VAL A 77 8.706 -6.994 3.609 1.00 1.04 H new ATOM 0 HG12 VAL A 77 8.075 -6.409 2.051 1.00 1.04 H new ATOM 0 HG13 VAL A 77 8.803 -8.029 2.165 1.00 1.04 H new ATOM 0 HG21 VAL A 77 11.135 -7.173 3.985 1.00 1.61 H new ATOM 0 HG22 VAL A 77 11.333 -8.214 2.555 1.00 1.61 H new ATOM 0 HG23 VAL A 77 12.283 -6.717 2.704 1.00 1.61 H new ATOM 842 N GLY A 78 9.501 -4.383 -0.236 1.00 0.61 N ATOM 843 CA GLY A 78 8.498 -3.606 -0.944 1.00 0.76 C ATOM 844 C GLY A 78 8.137 -4.284 -2.252 1.00 0.78 C ATOM 845 O GLY A 78 7.005 -4.195 -2.732 1.00 0.94 O ATOM 0 H GLY A 78 10.317 -3.854 0.071 1.00 0.61 H new ATOM 0 HA2 GLY A 78 7.608 -3.497 -0.325 1.00 0.76 H new ATOM 0 HA3 GLY A 78 8.876 -2.602 -1.138 1.00 0.76 H new ATOM 849 N GLU A 79 9.118 -4.997 -2.808 1.00 0.70 N ATOM 850 CA GLU A 79 8.932 -5.738 -4.043 1.00 0.82 C ATOM 851 C GLU A 79 8.209 -7.042 -3.747 1.00 0.77 C ATOM 852 O GLU A 79 7.206 -7.364 -4.383 1.00 0.79 O ATOM 853 CB GLU A 79 10.279 -6.020 -4.710 1.00 0.91 C ATOM 854 CG GLU A 79 10.172 -6.893 -5.949 1.00 1.18 C ATOM 855 CD GLU A 79 9.228 -6.318 -6.987 1.00 1.88 C ATOM 856 OE1 GLU A 79 9.667 -5.456 -7.778 1.00 2.16 O ATOM 857 OE2 GLU A 79 8.049 -6.730 -7.009 1.00 2.67 O ATOM 0 H GLU A 79 10.055 -5.073 -2.413 1.00 0.70 H new ATOM 0 HA GLU A 79 8.332 -5.139 -4.728 1.00 0.82 H new ATOM 0 HB2 GLU A 79 10.746 -5.073 -4.982 1.00 0.91 H new ATOM 0 HB3 GLU A 79 10.938 -6.505 -3.989 1.00 0.91 H new ATOM 0 HG2 GLU A 79 11.161 -7.014 -6.390 1.00 1.18 H new ATOM 0 HG3 GLU A 79 9.828 -7.886 -5.661 1.00 1.18 H new ATOM 864 N LEU A 80 8.707 -7.783 -2.754 1.00 0.76 N ATOM 865 CA LEU A 80 8.073 -9.041 -2.367 1.00 0.78 C ATOM 866 C LEU A 80 6.581 -8.813 -2.129 1.00 0.72 C ATOM 867 O LEU A 80 5.737 -9.424 -2.783 1.00 0.73 O ATOM 868 CB LEU A 80 8.729 -9.619 -1.111 1.00 0.86 C ATOM 869 CG LEU A 80 9.945 -10.514 -1.367 1.00 1.28 C ATOM 870 CD1 LEU A 80 11.084 -9.714 -1.977 1.00 1.69 C ATOM 871 CD2 LEU A 80 10.393 -11.187 -0.078 1.00 2.00 C ATOM 0 H LEU A 80 9.535 -7.537 -2.212 1.00 0.76 H new ATOM 0 HA LEU A 80 8.202 -9.760 -3.176 1.00 0.78 H new ATOM 0 HB2 LEU A 80 9.033 -8.794 -0.467 1.00 0.86 H new ATOM 0 HB3 LEU A 80 7.983 -10.194 -0.562 1.00 0.86 H new ATOM 0 HG LEU A 80 9.655 -11.289 -2.077 1.00 1.28 H new ATOM 0 HD11 LEU A 80 11.937 -10.370 -2.150 1.00 1.69 H new ATOM 0 HD12 LEU A 80 10.759 -9.283 -2.924 1.00 1.69 H new ATOM 0 HD13 LEU A 80 11.373 -8.915 -1.295 1.00 1.69 H new ATOM 0 HD21 LEU A 80 11.258 -11.819 -0.279 1.00 2.00 H new ATOM 0 HD22 LEU A 80 10.662 -10.426 0.655 1.00 2.00 H new ATOM 0 HD23 LEU A 80 9.580 -11.798 0.315 1.00 2.00 H new ATOM 883 N VAL A 81 6.270 -7.903 -1.210 1.00 0.75 N ATOM 884 CA VAL A 81 4.885 -7.560 -0.908 1.00 0.76 C ATOM 885 C VAL A 81 4.174 -7.097 -2.175 1.00 0.74 C ATOM 886 O VAL A 81 2.969 -7.297 -2.331 1.00 0.74 O ATOM 887 CB VAL A 81 4.810 -6.451 0.157 1.00 0.85 C ATOM 888 CG1 VAL A 81 5.643 -5.257 -0.267 1.00 1.14 C ATOM 889 CG2 VAL A 81 3.366 -6.044 0.415 1.00 0.95 C ATOM 0 H VAL A 81 6.960 -7.390 -0.661 1.00 0.75 H new ATOM 0 HA VAL A 81 4.394 -8.451 -0.517 1.00 0.76 H new ATOM 0 HB VAL A 81 5.218 -6.840 1.090 1.00 0.85 H new ATOM 0 HG11 VAL A 81 5.581 -4.481 0.496 1.00 1.14 H new ATOM 0 HG12 VAL A 81 6.682 -5.563 -0.389 1.00 1.14 H new ATOM 0 HG13 VAL A 81 5.266 -4.868 -1.213 1.00 1.14 H new ATOM 0 HG21 VAL A 81 3.339 -5.259 1.171 1.00 0.95 H new ATOM 0 HG22 VAL A 81 2.922 -5.673 -0.509 1.00 0.95 H new ATOM 0 HG23 VAL A 81 2.802 -6.907 0.768 1.00 0.95 H new ATOM 899 N ALA A 82 4.932 -6.484 -3.084 1.00 0.81 N ATOM 900 CA ALA A 82 4.377 -6.003 -4.340 1.00 0.87 C ATOM 901 C ALA A 82 3.748 -7.143 -5.122 1.00 0.79 C ATOM 902 O ALA A 82 2.560 -7.115 -5.440 1.00 0.85 O ATOM 903 CB ALA A 82 5.456 -5.322 -5.168 1.00 1.03 C ATOM 0 H ALA A 82 5.931 -6.311 -2.970 1.00 0.81 H new ATOM 0 HA ALA A 82 3.598 -5.274 -4.115 1.00 0.87 H new ATOM 0 HB1 ALA A 82 5.026 -4.967 -6.105 1.00 1.03 H new ATOM 0 HB2 ALA A 82 5.862 -4.477 -4.612 1.00 1.03 H new ATOM 0 HB3 ALA A 82 6.254 -6.033 -5.381 1.00 1.03 H new ATOM 909 N LYS A 83 4.552 -8.154 -5.416 1.00 0.81 N ATOM 910 CA LYS A 83 4.073 -9.313 -6.148 1.00 0.89 C ATOM 911 C LYS A 83 2.962 -10.002 -5.361 1.00 0.81 C ATOM 912 O LYS A 83 2.031 -10.560 -5.938 1.00 0.90 O ATOM 913 CB LYS A 83 5.230 -10.275 -6.411 1.00 1.06 C ATOM 914 CG LYS A 83 4.907 -11.357 -7.426 1.00 1.43 C ATOM 915 CD LYS A 83 6.096 -12.274 -7.661 1.00 1.75 C ATOM 916 CE LYS A 83 5.846 -13.222 -8.823 1.00 2.04 C ATOM 917 NZ LYS A 83 4.616 -14.037 -8.621 1.00 2.68 N ATOM 0 H LYS A 83 5.538 -8.194 -5.158 1.00 0.81 H new ATOM 0 HA LYS A 83 3.666 -8.993 -7.107 1.00 0.89 H new ATOM 0 HB2 LYS A 83 6.091 -9.706 -6.762 1.00 1.06 H new ATOM 0 HB3 LYS A 83 5.520 -10.746 -5.472 1.00 1.06 H new ATOM 0 HG2 LYS A 83 4.058 -11.944 -7.076 1.00 1.43 H new ATOM 0 HG3 LYS A 83 4.610 -10.896 -8.368 1.00 1.43 H new ATOM 0 HD2 LYS A 83 6.984 -11.676 -7.863 1.00 1.75 H new ATOM 0 HD3 LYS A 83 6.298 -12.849 -6.757 1.00 1.75 H new ATOM 0 HE2 LYS A 83 5.754 -12.649 -9.746 1.00 2.04 H new ATOM 0 HE3 LYS A 83 6.704 -13.883 -8.943 1.00 2.04 H new ATOM 0 HZ1 LYS A 83 4.580 -14.794 -9.334 1.00 2.68 H new ATOM 0 HZ2 LYS A 83 4.630 -14.457 -7.670 1.00 2.68 H new ATOM 0 HZ3 LYS A 83 3.777 -13.430 -8.718 1.00 2.68 H new ATOM 931 N ARG A 84 3.055 -9.937 -4.036 1.00 0.81 N ATOM 932 CA ARG A 84 2.041 -10.535 -3.175 1.00 0.84 C ATOM 933 C ARG A 84 0.723 -9.786 -3.325 1.00 0.61 C ATOM 934 O ARG A 84 -0.354 -10.356 -3.155 1.00 0.71 O ATOM 935 CB ARG A 84 2.490 -10.505 -1.713 1.00 1.13 C ATOM 936 CG ARG A 84 3.685 -11.398 -1.423 1.00 1.39 C ATOM 937 CD ARG A 84 4.066 -11.364 0.049 1.00 1.98 C ATOM 938 NE ARG A 84 2.961 -11.779 0.911 1.00 2.44 N ATOM 939 CZ ARG A 84 3.103 -12.077 2.199 1.00 3.11 C ATOM 940 NH1 ARG A 84 4.299 -12.023 2.767 1.00 3.54 N ATOM 941 NH2 ARG A 84 2.047 -12.433 2.918 1.00 3.69 N ATOM 0 H ARG A 84 3.818 -9.479 -3.538 1.00 0.81 H new ATOM 0 HA ARG A 84 1.902 -11.573 -3.476 1.00 0.84 H new ATOM 0 HB2 ARG A 84 2.739 -9.480 -1.439 1.00 1.13 H new ATOM 0 HB3 ARG A 84 1.657 -10.811 -1.080 1.00 1.13 H new ATOM 0 HG2 ARG A 84 3.454 -12.422 -1.716 1.00 1.39 H new ATOM 0 HG3 ARG A 84 4.534 -11.078 -2.027 1.00 1.39 H new ATOM 0 HD2 ARG A 84 4.922 -12.018 0.217 1.00 1.98 H new ATOM 0 HD3 ARG A 84 4.378 -10.355 0.320 1.00 1.98 H new ATOM 0 HE ARG A 84 2.029 -11.844 0.502 1.00 2.44 H new ATOM 0 HH11 ARG A 84 5.114 -11.752 2.216 1.00 3.54 H new ATOM 0 HH12 ARG A 84 4.405 -12.252 3.755 1.00 3.54 H new ATOM 0 HH21 ARG A 84 1.126 -12.478 2.483 1.00 3.69 H new ATOM 0 HH22 ARG A 84 2.156 -12.662 3.906 1.00 3.69 H new ATOM 955 N ALA A 85 0.825 -8.501 -3.653 1.00 0.61 N ATOM 956 CA ALA A 85 -0.346 -7.661 -3.838 1.00 0.80 C ATOM 957 C ALA A 85 -1.135 -8.100 -5.063 1.00 1.06 C ATOM 958 O ALA A 85 -2.360 -8.219 -5.011 1.00 1.38 O ATOM 959 CB ALA A 85 0.063 -6.202 -3.963 1.00 1.21 C ATOM 0 H ALA A 85 1.713 -8.020 -3.796 1.00 0.61 H new ATOM 0 HA ALA A 85 -0.987 -7.768 -2.963 1.00 0.80 H new ATOM 0 HB1 ALA A 85 -0.825 -5.586 -4.101 1.00 1.21 H new ATOM 0 HB2 ALA A 85 0.583 -5.891 -3.057 1.00 1.21 H new ATOM 0 HB3 ALA A 85 0.725 -6.082 -4.821 1.00 1.21 H new ATOM 965 N LEU A 86 -0.433 -8.347 -6.168 1.00 1.11 N ATOM 966 CA LEU A 86 -1.098 -8.778 -7.389 1.00 1.61 C ATOM 967 C LEU A 86 -1.653 -10.189 -7.236 1.00 1.90 C ATOM 968 O LEU A 86 -2.569 -10.584 -7.958 1.00 2.47 O ATOM 969 CB LEU A 86 -0.171 -8.683 -8.610 1.00 1.64 C ATOM 970 CG LEU A 86 1.156 -9.440 -8.509 1.00 1.91 C ATOM 971 CD1 LEU A 86 0.919 -10.941 -8.541 1.00 2.52 C ATOM 972 CD2 LEU A 86 2.089 -9.023 -9.639 1.00 1.92 C ATOM 0 H LEU A 86 0.580 -8.257 -6.240 1.00 1.11 H new ATOM 0 HA LEU A 86 -1.932 -8.098 -7.562 1.00 1.61 H new ATOM 0 HB2 LEU A 86 -0.712 -9.053 -9.481 1.00 1.64 H new ATOM 0 HB3 LEU A 86 0.047 -7.631 -8.794 1.00 1.64 H new ATOM 0 HG LEU A 86 1.627 -9.188 -7.559 1.00 1.91 H new ATOM 0 HD11 LEU A 86 1.874 -11.462 -8.468 1.00 2.52 H new ATOM 0 HD12 LEU A 86 0.285 -11.227 -7.702 1.00 2.52 H new ATOM 0 HD13 LEU A 86 0.428 -11.212 -9.476 1.00 2.52 H new ATOM 0 HD21 LEU A 86 3.029 -9.569 -9.555 1.00 1.92 H new ATOM 0 HD22 LEU A 86 1.623 -9.249 -10.598 1.00 1.92 H new ATOM 0 HD23 LEU A 86 2.284 -7.953 -9.573 1.00 1.92 H new ATOM 984 N GLU A 87 -1.117 -10.941 -6.276 1.00 1.70 N ATOM 985 CA GLU A 87 -1.593 -12.295 -6.025 1.00 2.11 C ATOM 986 C GLU A 87 -2.881 -12.253 -5.212 1.00 1.86 C ATOM 987 O GLU A 87 -3.748 -13.115 -5.353 1.00 2.33 O ATOM 988 CB GLU A 87 -0.540 -13.118 -5.278 1.00 2.40 C ATOM 989 CG GLU A 87 0.676 -13.464 -6.118 1.00 2.35 C ATOM 990 CD GLU A 87 1.494 -14.592 -5.520 1.00 2.89 C ATOM 991 OE1 GLU A 87 1.196 -15.766 -5.822 1.00 3.20 O ATOM 992 OE2 GLU A 87 2.432 -14.300 -4.749 1.00 3.30 O ATOM 0 H GLU A 87 -0.359 -10.637 -5.665 1.00 1.70 H new ATOM 0 HA GLU A 87 -1.785 -12.770 -6.987 1.00 2.11 H new ATOM 0 HB2 GLU A 87 -0.216 -12.563 -4.398 1.00 2.40 H new ATOM 0 HB3 GLU A 87 -0.999 -14.041 -4.922 1.00 2.40 H new ATOM 0 HG2 GLU A 87 0.353 -13.746 -7.120 1.00 2.35 H new ATOM 0 HG3 GLU A 87 1.305 -12.580 -6.223 1.00 2.35 H new ATOM 999 N LYS A 88 -2.999 -11.238 -4.358 1.00 1.30 N ATOM 1000 CA LYS A 88 -4.179 -11.078 -3.519 1.00 1.38 C ATOM 1001 C LYS A 88 -5.376 -10.609 -4.342 1.00 1.33 C ATOM 1002 O LYS A 88 -6.183 -11.420 -4.797 1.00 2.14 O ATOM 1003 CB LYS A 88 -3.898 -10.091 -2.384 1.00 1.54 C ATOM 1004 CG LYS A 88 -2.960 -10.636 -1.319 1.00 1.94 C ATOM 1005 CD LYS A 88 -3.535 -11.874 -0.647 1.00 1.92 C ATOM 1006 CE LYS A 88 -2.645 -12.354 0.489 1.00 2.31 C ATOM 1007 NZ LYS A 88 -2.515 -11.330 1.563 1.00 3.30 N ATOM 0 H LYS A 88 -2.290 -10.515 -4.231 1.00 1.30 H new ATOM 0 HA LYS A 88 -4.421 -12.050 -3.088 1.00 1.38 H new ATOM 0 HB2 LYS A 88 -3.468 -9.181 -2.803 1.00 1.54 H new ATOM 0 HB3 LYS A 88 -4.842 -9.811 -1.916 1.00 1.54 H new ATOM 0 HG2 LYS A 88 -1.998 -10.880 -1.771 1.00 1.94 H new ATOM 0 HG3 LYS A 88 -2.774 -9.867 -0.569 1.00 1.94 H new ATOM 0 HD2 LYS A 88 -4.530 -11.652 -0.262 1.00 1.92 H new ATOM 0 HD3 LYS A 88 -3.648 -12.670 -1.383 1.00 1.92 H new ATOM 0 HE2 LYS A 88 -3.057 -13.271 0.910 1.00 2.31 H new ATOM 0 HE3 LYS A 88 -1.657 -12.598 0.098 1.00 2.31 H new ATOM 0 HZ1 LYS A 88 -2.155 -11.779 2.429 1.00 3.30 H new ATOM 0 HZ2 LYS A 88 -1.853 -10.588 1.257 1.00 3.30 H new ATOM 0 HZ3 LYS A 88 -3.446 -10.907 1.753 1.00 3.30 H new ATOM 1021 N GLY A 89 -5.487 -9.297 -4.533 1.00 1.17 N ATOM 1022 CA GLY A 89 -6.591 -8.753 -5.304 1.00 1.54 C ATOM 1023 C GLY A 89 -6.751 -9.440 -6.644 1.00 1.65 C ATOM 1024 O GLY A 89 -7.670 -10.234 -6.843 1.00 2.42 O ATOM 0 H GLY A 89 -4.834 -8.603 -4.169 1.00 1.17 H new ATOM 0 HA2 GLY A 89 -7.514 -8.855 -4.734 1.00 1.54 H new ATOM 0 HA3 GLY A 89 -6.430 -7.687 -5.462 1.00 1.54 H new ATOM 1028 N ILE A 90 -5.848 -9.129 -7.564 1.00 1.54 N ATOM 1029 CA ILE A 90 -5.877 -9.709 -8.898 1.00 1.78 C ATOM 1030 C ILE A 90 -4.679 -9.231 -9.714 1.00 1.49 C ATOM 1031 O ILE A 90 -4.102 -9.988 -10.495 1.00 1.75 O ATOM 1032 CB ILE A 90 -7.195 -9.353 -9.629 1.00 2.16 C ATOM 1033 CG1 ILE A 90 -7.146 -9.782 -11.098 1.00 2.83 C ATOM 1034 CG2 ILE A 90 -7.471 -7.861 -9.519 1.00 2.23 C ATOM 1035 CD1 ILE A 90 -8.491 -10.196 -11.654 1.00 3.26 C ATOM 0 H ILE A 90 -5.082 -8.474 -7.408 1.00 1.54 H new ATOM 0 HA ILE A 90 -5.824 -10.793 -8.795 1.00 1.78 H new ATOM 0 HB ILE A 90 -8.007 -9.898 -9.148 1.00 2.16 H new ATOM 0 HG12 ILE A 90 -6.753 -8.959 -11.695 1.00 2.83 H new ATOM 0 HG13 ILE A 90 -6.448 -10.613 -11.202 1.00 2.83 H new ATOM 0 HG21 ILE A 90 -8.400 -7.624 -10.037 1.00 2.23 H new ATOM 0 HG22 ILE A 90 -7.560 -7.584 -8.469 1.00 2.23 H new ATOM 0 HG23 ILE A 90 -6.651 -7.305 -9.973 1.00 2.23 H new ATOM 0 HD11 ILE A 90 -8.379 -10.487 -12.699 1.00 3.26 H new ATOM 0 HD12 ILE A 90 -8.877 -11.040 -11.082 1.00 3.26 H new ATOM 0 HD13 ILE A 90 -9.187 -9.360 -11.583 1.00 3.26 H new ATOM 1047 N LYS A 91 -4.315 -7.969 -9.524 1.00 1.32 N ATOM 1048 CA LYS A 91 -3.190 -7.378 -10.231 1.00 1.13 C ATOM 1049 C LYS A 91 -2.375 -6.506 -9.293 1.00 1.05 C ATOM 1050 O LYS A 91 -2.772 -6.254 -8.154 1.00 1.59 O ATOM 1051 CB LYS A 91 -3.692 -6.544 -11.410 1.00 1.58 C ATOM 1052 CG LYS A 91 -4.833 -7.199 -12.165 1.00 2.04 C ATOM 1053 CD LYS A 91 -5.361 -6.299 -13.269 1.00 2.66 C ATOM 1054 CE LYS A 91 -4.358 -6.169 -14.403 1.00 3.45 C ATOM 1055 NZ LYS A 91 -4.805 -5.191 -15.433 1.00 3.95 N ATOM 0 H LYS A 91 -4.787 -7.333 -8.881 1.00 1.32 H new ATOM 0 HA LYS A 91 -2.554 -8.180 -10.605 1.00 1.13 H new ATOM 0 HB2 LYS A 91 -4.019 -5.570 -11.045 1.00 1.58 H new ATOM 0 HB3 LYS A 91 -2.866 -6.365 -12.098 1.00 1.58 H new ATOM 0 HG2 LYS A 91 -4.493 -8.141 -12.594 1.00 2.04 H new ATOM 0 HG3 LYS A 91 -5.640 -7.437 -11.472 1.00 2.04 H new ATOM 0 HD2 LYS A 91 -6.297 -6.703 -13.654 1.00 2.66 H new ATOM 0 HD3 LYS A 91 -5.583 -5.312 -12.862 1.00 2.66 H new ATOM 0 HE2 LYS A 91 -3.394 -5.857 -14.001 1.00 3.45 H new ATOM 0 HE3 LYS A 91 -4.209 -7.143 -14.869 1.00 3.45 H new ATOM 0 HZ1 LYS A 91 -4.093 -5.132 -16.188 1.00 3.95 H new ATOM 0 HZ2 LYS A 91 -5.712 -5.501 -15.836 1.00 3.95 H new ATOM 0 HZ3 LYS A 91 -4.923 -4.255 -14.995 1.00 3.95 H new ATOM 1069 N GLN A 92 -1.246 -6.030 -9.784 1.00 0.75 N ATOM 1070 CA GLN A 92 -0.377 -5.178 -9.001 1.00 0.67 C ATOM 1071 C GLN A 92 -1.148 -3.922 -8.627 1.00 0.54 C ATOM 1072 O GLN A 92 -2.305 -3.798 -8.996 1.00 0.77 O ATOM 1073 CB GLN A 92 0.874 -4.846 -9.807 1.00 0.79 C ATOM 1074 CG GLN A 92 2.034 -4.348 -8.976 1.00 1.38 C ATOM 1075 CD GLN A 92 2.237 -5.161 -7.713 1.00 2.14 C ATOM 1076 OE1 GLN A 92 2.590 -4.629 -6.661 1.00 3.03 O ATOM 1077 NE2 GLN A 92 2.033 -6.466 -7.820 1.00 2.16 N ATOM 0 H GLN A 92 -0.910 -6.222 -10.728 1.00 0.75 H new ATOM 0 HA GLN A 92 -0.059 -5.682 -8.088 1.00 0.67 H new ATOM 0 HB2 GLN A 92 1.188 -5.736 -10.352 1.00 0.79 H new ATOM 0 HB3 GLN A 92 0.623 -4.089 -10.550 1.00 0.79 H new ATOM 0 HG2 GLN A 92 2.945 -4.379 -9.574 1.00 1.38 H new ATOM 0 HG3 GLN A 92 1.864 -3.305 -8.709 1.00 1.38 H new ATOM 0 HE21 GLN A 92 1.741 -6.865 -8.712 1.00 2.16 H new ATOM 0 HE22 GLN A 92 2.168 -7.071 -7.010 1.00 2.16 H new ATOM 1086 N VAL A 93 -0.555 -3.035 -7.838 1.00 0.43 N ATOM 1087 CA VAL A 93 -1.275 -1.850 -7.376 1.00 0.44 C ATOM 1088 C VAL A 93 -0.818 -0.567 -8.046 1.00 0.75 C ATOM 1089 O VAL A 93 0.152 -0.547 -8.804 1.00 1.27 O ATOM 1090 CB VAL A 93 -1.076 -1.659 -5.871 1.00 0.75 C ATOM 1091 CG1 VAL A 93 -1.668 -2.820 -5.086 1.00 1.23 C ATOM 1092 CG2 VAL A 93 0.398 -1.497 -5.583 1.00 1.73 C ATOM 0 H VAL A 93 0.407 -3.109 -7.508 1.00 0.43 H new ATOM 0 HA VAL A 93 -2.319 -2.030 -7.632 1.00 0.44 H new ATOM 0 HB VAL A 93 -1.602 -0.759 -5.552 1.00 0.75 H new ATOM 0 HG11 VAL A 93 -1.511 -2.656 -4.020 1.00 1.23 H new ATOM 0 HG12 VAL A 93 -2.737 -2.889 -5.289 1.00 1.23 H new ATOM 0 HG13 VAL A 93 -1.181 -3.748 -5.386 1.00 1.23 H new ATOM 0 HG21 VAL A 93 0.547 -1.360 -4.512 1.00 1.73 H new ATOM 0 HG22 VAL A 93 0.933 -2.387 -5.913 1.00 1.73 H new ATOM 0 HG23 VAL A 93 0.779 -0.626 -6.116 1.00 1.73 H new ATOM 1102 N VAL A 94 -1.542 0.510 -7.743 1.00 1.05 N ATOM 1103 CA VAL A 94 -1.236 1.813 -8.298 1.00 1.51 C ATOM 1104 C VAL A 94 -0.718 2.758 -7.228 1.00 1.18 C ATOM 1105 O VAL A 94 -1.358 2.976 -6.201 1.00 1.87 O ATOM 1106 CB VAL A 94 -2.461 2.448 -9.005 1.00 2.63 C ATOM 1107 CG1 VAL A 94 -3.404 3.138 -8.017 1.00 3.59 C ATOM 1108 CG2 VAL A 94 -1.997 3.424 -10.079 1.00 3.01 C ATOM 0 H VAL A 94 -2.345 0.498 -7.114 1.00 1.05 H new ATOM 0 HA VAL A 94 -0.457 1.656 -9.044 1.00 1.51 H new ATOM 0 HB VAL A 94 -3.026 1.642 -9.474 1.00 2.63 H new ATOM 0 HG11 VAL A 94 -4.247 3.568 -8.558 1.00 3.59 H new ATOM 0 HG12 VAL A 94 -3.770 2.409 -7.294 1.00 3.59 H new ATOM 0 HG13 VAL A 94 -2.867 3.929 -7.494 1.00 3.59 H new ATOM 0 HG21 VAL A 94 -2.865 3.865 -10.570 1.00 3.01 H new ATOM 0 HG22 VAL A 94 -1.400 4.212 -9.621 1.00 3.01 H new ATOM 0 HG23 VAL A 94 -1.394 2.894 -10.816 1.00 3.01 H new ATOM 1118 N PHE A 95 0.432 3.323 -7.498 1.00 0.67 N ATOM 1119 CA PHE A 95 1.063 4.270 -6.582 1.00 0.49 C ATOM 1120 C PHE A 95 0.081 5.349 -6.144 1.00 0.59 C ATOM 1121 O PHE A 95 -0.854 5.684 -6.871 1.00 1.09 O ATOM 1122 CB PHE A 95 2.261 4.916 -7.253 1.00 0.90 C ATOM 1123 CG PHE A 95 1.901 5.573 -8.538 1.00 1.91 C ATOM 1124 CD1 PHE A 95 1.318 6.823 -8.538 1.00 2.81 C ATOM 1125 CD2 PHE A 95 2.150 4.943 -9.744 1.00 2.38 C ATOM 1126 CE1 PHE A 95 0.981 7.444 -9.726 1.00 3.99 C ATOM 1127 CE2 PHE A 95 1.816 5.552 -10.937 1.00 3.55 C ATOM 1128 CZ PHE A 95 1.234 6.788 -10.939 1.00 4.33 C ATOM 0 H PHE A 95 0.963 3.148 -8.351 1.00 0.67 H new ATOM 0 HA PHE A 95 1.388 3.721 -5.698 1.00 0.49 H new ATOM 0 HB2 PHE A 95 2.698 5.654 -6.580 1.00 0.90 H new ATOM 0 HB3 PHE A 95 3.024 4.160 -7.435 1.00 0.90 H new ATOM 0 HD1 PHE A 95 1.123 7.322 -7.600 1.00 2.81 H new ATOM 0 HD2 PHE A 95 2.610 3.966 -9.752 1.00 2.38 H new ATOM 0 HE1 PHE A 95 0.528 8.424 -9.720 1.00 3.99 H new ATOM 0 HE2 PHE A 95 2.015 5.050 -11.872 1.00 3.55 H new ATOM 0 HZ PHE A 95 0.969 7.259 -11.874 1.00 4.33 H new ATOM 1138 N ASP A 96 0.297 5.881 -4.946 1.00 0.71 N ATOM 1139 CA ASP A 96 -0.574 6.915 -4.402 1.00 0.81 C ATOM 1140 C ASP A 96 0.076 8.290 -4.525 1.00 0.85 C ATOM 1141 O ASP A 96 1.120 8.436 -5.162 1.00 1.36 O ATOM 1142 CB ASP A 96 -0.887 6.614 -2.934 1.00 1.11 C ATOM 1143 CG ASP A 96 -2.270 7.079 -2.522 1.00 1.67 C ATOM 1144 OD1 ASP A 96 -3.241 6.323 -2.740 1.00 2.45 O ATOM 1145 OD2 ASP A 96 -2.383 8.199 -1.980 1.00 1.69 O ATOM 0 H ASP A 96 1.068 5.613 -4.334 1.00 0.71 H new ATOM 0 HA ASP A 96 -1.502 6.921 -4.974 1.00 0.81 H new ATOM 0 HB2 ASP A 96 -0.803 5.541 -2.762 1.00 1.11 H new ATOM 0 HB3 ASP A 96 -0.142 7.098 -2.302 1.00 1.11 H new ATOM 1150 N ARG A 97 -0.541 9.300 -3.908 1.00 0.97 N ATOM 1151 CA ARG A 97 -0.012 10.662 -3.945 1.00 1.31 C ATOM 1152 C ARG A 97 1.482 10.660 -3.644 1.00 1.52 C ATOM 1153 O ARG A 97 2.266 11.312 -4.334 1.00 1.99 O ATOM 1154 CB ARG A 97 -0.749 11.550 -2.940 1.00 1.45 C ATOM 1155 CG ARG A 97 -2.253 11.592 -3.158 1.00 1.62 C ATOM 1156 CD ARG A 97 -2.925 12.579 -2.216 1.00 1.98 C ATOM 1157 NE ARG A 97 -2.537 13.958 -2.499 1.00 2.55 N ATOM 1158 CZ ARG A 97 -3.099 15.014 -1.921 1.00 3.26 C ATOM 1159 NH1 ARG A 97 -4.064 14.848 -1.027 1.00 3.49 N ATOM 1160 NH2 ARG A 97 -2.695 16.238 -2.236 1.00 4.10 N ATOM 0 H ARG A 97 -1.406 9.199 -3.378 1.00 0.97 H new ATOM 0 HA ARG A 97 -0.168 11.064 -4.946 1.00 1.31 H new ATOM 0 HB2 ARG A 97 -0.546 11.190 -1.931 1.00 1.45 H new ATOM 0 HB3 ARG A 97 -0.352 12.563 -3.003 1.00 1.45 H new ATOM 0 HG2 ARG A 97 -2.464 11.871 -4.190 1.00 1.62 H new ATOM 0 HG3 ARG A 97 -2.672 10.598 -3.004 1.00 1.62 H new ATOM 0 HD2 ARG A 97 -4.007 12.482 -2.302 1.00 1.98 H new ATOM 0 HD3 ARG A 97 -2.664 12.333 -1.187 1.00 1.98 H new ATOM 0 HE ARG A 97 -1.793 14.119 -3.178 1.00 2.55 H new ATOM 0 HH11 ARG A 97 -4.376 13.908 -0.782 1.00 3.49 H new ATOM 0 HH12 ARG A 97 -4.494 15.660 -0.584 1.00 3.49 H new ATOM 0 HH21 ARG A 97 -1.952 16.369 -2.923 1.00 4.10 H new ATOM 0 HH22 ARG A 97 -3.127 17.048 -1.792 1.00 4.10 H new ATOM 1174 N GLY A 98 1.871 9.905 -2.622 1.00 1.57 N ATOM 1175 CA GLY A 98 3.271 9.814 -2.267 1.00 1.94 C ATOM 1176 C GLY A 98 4.107 9.381 -3.452 1.00 1.60 C ATOM 1177 O GLY A 98 5.049 10.069 -3.844 1.00 2.16 O ATOM 0 H GLY A 98 1.242 9.357 -2.036 1.00 1.57 H new ATOM 0 HA2 GLY A 98 3.621 10.781 -1.905 1.00 1.94 H new ATOM 0 HA3 GLY A 98 3.397 9.103 -1.450 1.00 1.94 H new ATOM 1181 N GLY A 99 3.740 8.245 -4.039 1.00 1.23 N ATOM 1182 CA GLY A 99 4.447 7.748 -5.199 1.00 1.25 C ATOM 1183 C GLY A 99 4.120 8.573 -6.432 1.00 1.56 C ATOM 1184 O GLY A 99 3.320 9.504 -6.353 1.00 2.33 O ATOM 0 H GLY A 99 2.963 7.661 -3.729 1.00 1.23 H new ATOM 0 HA2 GLY A 99 5.521 7.775 -5.014 1.00 1.25 H new ATOM 0 HA3 GLY A 99 4.179 6.706 -5.373 1.00 1.25 H new ATOM 1188 N TYR A 100 4.736 8.258 -7.569 1.00 1.47 N ATOM 1189 CA TYR A 100 4.482 9.019 -8.793 1.00 1.80 C ATOM 1190 C TYR A 100 5.231 8.425 -9.990 1.00 1.69 C ATOM 1191 O TYR A 100 5.557 7.241 -9.995 1.00 2.19 O ATOM 1192 CB TYR A 100 4.896 10.476 -8.573 1.00 2.04 C ATOM 1193 CG TYR A 100 6.385 10.676 -8.451 1.00 1.95 C ATOM 1194 CD1 TYR A 100 7.068 10.152 -7.366 1.00 2.40 C ATOM 1195 CD2 TYR A 100 7.111 11.375 -9.413 1.00 2.11 C ATOM 1196 CE1 TYR A 100 8.425 10.314 -7.235 1.00 2.59 C ATOM 1197 CE2 TYR A 100 8.475 11.543 -9.290 1.00 2.30 C ATOM 1198 CZ TYR A 100 9.125 11.080 -8.256 1.00 2.40 C ATOM 1199 OH TYR A 100 10.488 11.166 -8.062 1.00 2.76 O ATOM 0 H TYR A 100 5.404 7.494 -7.670 1.00 1.47 H new ATOM 0 HA TYR A 100 3.417 8.969 -9.020 1.00 1.80 H new ATOM 0 HB2 TYR A 100 4.525 11.078 -9.403 1.00 2.04 H new ATOM 0 HB3 TYR A 100 4.414 10.848 -7.669 1.00 2.04 H new ATOM 0 HD1 TYR A 100 6.523 9.606 -6.610 1.00 2.40 H new ATOM 0 HD2 TYR A 100 6.599 11.791 -10.268 1.00 2.11 H new ATOM 0 HE1 TYR A 100 8.958 9.886 -6.399 1.00 2.59 H new ATOM 0 HE2 TYR A 100 9.016 12.068 -10.064 1.00 2.30 H new ATOM 0 HH TYR A 100 10.819 12.010 -8.434 1.00 2.76 H new ATOM 1209 N LEU A 101 5.507 9.252 -11.005 1.00 1.42 N ATOM 1210 CA LEU A 101 6.230 8.795 -12.195 1.00 1.38 C ATOM 1211 C LEU A 101 7.473 8.012 -11.784 1.00 1.16 C ATOM 1212 O LEU A 101 7.896 7.087 -12.474 1.00 1.18 O ATOM 1213 CB LEU A 101 6.624 9.995 -13.065 1.00 1.57 C ATOM 1214 CG LEU A 101 7.236 9.649 -14.425 1.00 1.80 C ATOM 1215 CD1 LEU A 101 7.312 10.886 -15.305 1.00 2.20 C ATOM 1216 CD2 LEU A 101 8.618 9.037 -14.253 1.00 2.28 C ATOM 0 H LEU A 101 5.242 10.237 -11.026 1.00 1.42 H new ATOM 0 HA LEU A 101 5.579 8.141 -12.774 1.00 1.38 H new ATOM 0 HB2 LEU A 101 5.738 10.609 -13.230 1.00 1.57 H new ATOM 0 HB3 LEU A 101 7.336 10.606 -12.510 1.00 1.57 H new ATOM 0 HG LEU A 101 6.593 8.915 -14.911 1.00 1.80 H new ATOM 0 HD11 LEU A 101 7.750 10.621 -16.268 1.00 2.20 H new ATOM 0 HD12 LEU A 101 6.309 11.285 -15.459 1.00 2.20 H new ATOM 0 HD13 LEU A 101 7.932 11.640 -14.820 1.00 2.20 H new ATOM 0 HD21 LEU A 101 9.035 8.799 -15.232 1.00 2.28 H new ATOM 0 HD22 LEU A 101 9.270 9.747 -13.744 1.00 2.28 H new ATOM 0 HD23 LEU A 101 8.541 8.126 -13.660 1.00 2.28 H new ATOM 1228 N TYR A 102 8.023 8.405 -10.636 1.00 1.11 N ATOM 1229 CA TYR A 102 9.206 7.790 -10.032 1.00 0.96 C ATOM 1230 C TYR A 102 10.482 8.556 -10.342 1.00 1.03 C ATOM 1231 O TYR A 102 10.458 9.560 -11.047 1.00 1.54 O ATOM 1232 CB TYR A 102 9.372 6.306 -10.399 1.00 0.93 C ATOM 1233 CG TYR A 102 8.189 5.456 -10.011 1.00 0.90 C ATOM 1234 CD1 TYR A 102 7.422 5.745 -8.889 1.00 0.95 C ATOM 1235 CD2 TYR A 102 7.839 4.362 -10.784 1.00 0.93 C ATOM 1236 CE1 TYR A 102 6.339 4.955 -8.548 1.00 1.05 C ATOM 1237 CE2 TYR A 102 6.761 3.572 -10.454 1.00 1.01 C ATOM 1238 CZ TYR A 102 6.007 3.912 -9.258 1.00 1.06 C ATOM 1239 OH TYR A 102 4.939 3.078 -9.000 1.00 1.25 O ATOM 0 H TYR A 102 7.650 9.179 -10.086 1.00 1.11 H new ATOM 0 HA TYR A 102 9.031 7.842 -8.957 1.00 0.96 H new ATOM 0 HB2 TYR A 102 9.534 6.221 -11.474 1.00 0.93 H new ATOM 0 HB3 TYR A 102 10.265 5.917 -9.911 1.00 0.93 H new ATOM 0 HD1 TYR A 102 7.675 6.597 -8.275 1.00 0.95 H new ATOM 0 HD2 TYR A 102 8.422 4.124 -11.661 1.00 0.93 H new ATOM 0 HE1 TYR A 102 5.755 5.207 -7.675 1.00 1.05 H new ATOM 0 HE2 TYR A 102 6.484 2.726 -11.065 1.00 1.01 H new ATOM 0 HH TYR A 102 4.411 2.960 -9.817 1.00 1.25 H new ATOM 1249 N HIS A 103 11.590 8.056 -9.778 1.00 0.77 N ATOM 1250 CA HIS A 103 12.924 8.651 -9.928 1.00 0.89 C ATOM 1251 C HIS A 103 13.855 8.238 -8.774 1.00 0.87 C ATOM 1252 O HIS A 103 14.783 7.453 -8.967 1.00 1.36 O ATOM 1253 CB HIS A 103 12.844 10.183 -9.987 1.00 1.19 C ATOM 1254 CG HIS A 103 14.184 10.856 -10.007 1.00 1.63 C ATOM 1255 ND1 HIS A 103 14.635 11.602 -11.075 1.00 2.23 N ATOM 1256 CD2 HIS A 103 15.170 10.895 -9.079 1.00 2.09 C ATOM 1257 CE1 HIS A 103 15.841 12.068 -10.805 1.00 2.54 C ATOM 1258 NE2 HIS A 103 16.188 11.655 -9.601 1.00 2.39 N ATOM 0 H HIS A 103 11.584 7.217 -9.198 1.00 0.77 H new ATOM 0 HA HIS A 103 13.334 8.277 -10.866 1.00 0.89 H new ATOM 0 HB2 HIS A 103 12.287 10.475 -10.877 1.00 1.19 H new ATOM 0 HB3 HIS A 103 12.280 10.542 -9.126 1.00 1.19 H new ATOM 0 HD2 HIS A 103 15.158 10.418 -8.110 1.00 2.09 H new ATOM 0 HE1 HIS A 103 16.441 12.683 -11.459 1.00 2.54 H new ATOM 0 HE2 HIS A 103 17.070 11.866 -9.133 1.00 2.39 H new ATOM 1267 N GLY A 104 13.619 8.806 -7.582 1.00 0.90 N ATOM 1268 CA GLY A 104 14.463 8.528 -6.422 1.00 0.97 C ATOM 1269 C GLY A 104 14.052 7.329 -5.555 1.00 0.93 C ATOM 1270 O GLY A 104 14.121 6.182 -5.998 1.00 1.07 O ATOM 0 H GLY A 104 12.854 9.456 -7.402 1.00 0.90 H new ATOM 0 HA2 GLY A 104 15.482 8.364 -6.772 1.00 0.97 H new ATOM 0 HA3 GLY A 104 14.481 9.417 -5.791 1.00 0.97 H new ATOM 1274 N ARG A 105 13.700 7.606 -4.283 1.00 0.88 N ATOM 1275 CA ARG A 105 13.367 6.554 -3.305 1.00 0.90 C ATOM 1276 C ARG A 105 11.880 6.144 -3.226 1.00 0.73 C ATOM 1277 O ARG A 105 11.573 4.966 -3.405 1.00 0.92 O ATOM 1278 CB ARG A 105 13.836 6.987 -1.917 1.00 1.06 C ATOM 1279 CG ARG A 105 15.331 7.251 -1.823 1.00 1.51 C ATOM 1280 CD ARG A 105 15.681 8.651 -2.303 1.00 1.92 C ATOM 1281 NE ARG A 105 16.355 8.637 -3.599 1.00 2.44 N ATOM 1282 CZ ARG A 105 17.673 8.539 -3.750 1.00 3.16 C ATOM 1283 NH1 ARG A 105 18.463 8.396 -2.693 1.00 3.59 N ATOM 1284 NH2 ARG A 105 18.204 8.570 -4.964 1.00 3.76 N ATOM 0 H ARG A 105 13.639 8.553 -3.910 1.00 0.88 H new ATOM 0 HA ARG A 105 13.888 5.667 -3.664 1.00 0.90 H new ATOM 0 HB2 ARG A 105 13.299 7.891 -1.629 1.00 1.06 H new ATOM 0 HB3 ARG A 105 13.568 6.214 -1.197 1.00 1.06 H new ATOM 0 HG2 ARG A 105 15.659 7.126 -0.791 1.00 1.51 H new ATOM 0 HG3 ARG A 105 15.870 6.515 -2.420 1.00 1.51 H new ATOM 0 HD2 ARG A 105 14.771 9.247 -2.375 1.00 1.92 H new ATOM 0 HD3 ARG A 105 16.322 9.136 -1.567 1.00 1.92 H new ATOM 0 HE ARG A 105 15.780 8.707 -4.439 1.00 2.44 H new ATOM 0 HH11 ARG A 105 18.060 8.361 -1.756 1.00 3.59 H new ATOM 0 HH12 ARG A 105 19.473 8.322 -2.817 1.00 3.59 H new ATOM 0 HH21 ARG A 105 17.602 8.669 -5.782 1.00 3.76 H new ATOM 0 HH22 ARG A 105 19.215 8.495 -5.081 1.00 3.76 H new ATOM 1298 N VAL A 106 10.960 7.087 -2.922 1.00 0.59 N ATOM 1299 CA VAL A 106 9.509 6.743 -2.790 1.00 0.62 C ATOM 1300 C VAL A 106 9.121 5.783 -3.916 1.00 0.67 C ATOM 1301 O VAL A 106 8.449 4.757 -3.738 1.00 0.70 O ATOM 1302 CB VAL A 106 8.574 8.013 -2.824 1.00 0.79 C ATOM 1303 CG1 VAL A 106 9.296 9.252 -2.329 1.00 1.42 C ATOM 1304 CG2 VAL A 106 7.999 8.295 -4.218 1.00 1.76 C ATOM 0 H VAL A 106 11.179 8.071 -2.765 1.00 0.59 H new ATOM 0 HA VAL A 106 9.368 6.274 -1.816 1.00 0.62 H new ATOM 0 HB VAL A 106 7.746 7.780 -2.155 1.00 0.79 H new ATOM 0 HG11 VAL A 106 8.620 10.106 -2.367 1.00 1.42 H new ATOM 0 HG12 VAL A 106 9.625 9.095 -1.302 1.00 1.42 H new ATOM 0 HG13 VAL A 106 10.162 9.446 -2.962 1.00 1.42 H new ATOM 0 HG21 VAL A 106 7.364 9.180 -4.178 1.00 1.76 H new ATOM 0 HG22 VAL A 106 8.815 8.465 -4.920 1.00 1.76 H new ATOM 0 HG23 VAL A 106 7.409 7.440 -4.548 1.00 1.76 H new ATOM 1314 N LYS A 107 9.589 6.175 -5.071 1.00 0.76 N ATOM 1315 CA LYS A 107 9.396 5.464 -6.306 1.00 0.89 C ATOM 1316 C LYS A 107 9.609 3.976 -6.150 1.00 0.75 C ATOM 1317 O LYS A 107 8.691 3.213 -6.346 1.00 0.76 O ATOM 1318 CB LYS A 107 10.358 5.997 -7.370 1.00 1.17 C ATOM 1319 CG LYS A 107 11.407 6.991 -6.881 1.00 1.89 C ATOM 1320 CD LYS A 107 10.821 8.395 -6.844 1.00 2.96 C ATOM 1321 CE LYS A 107 11.272 9.158 -5.599 1.00 3.87 C ATOM 1322 NZ LYS A 107 11.064 10.627 -5.718 1.00 4.87 N ATOM 0 H LYS A 107 10.135 7.029 -5.181 1.00 0.76 H new ATOM 0 HA LYS A 107 8.362 5.626 -6.611 1.00 0.89 H new ATOM 0 HB2 LYS A 107 10.872 5.150 -7.825 1.00 1.17 H new ATOM 0 HB3 LYS A 107 9.772 6.474 -8.156 1.00 1.17 H new ATOM 0 HG2 LYS A 107 11.753 6.707 -5.887 1.00 1.89 H new ATOM 0 HG3 LYS A 107 12.275 6.968 -7.539 1.00 1.89 H new ATOM 0 HD2 LYS A 107 11.126 8.941 -7.737 1.00 2.96 H new ATOM 0 HD3 LYS A 107 9.733 8.337 -6.862 1.00 2.96 H new ATOM 0 HE2 LYS A 107 10.725 8.787 -4.732 1.00 3.87 H new ATOM 0 HE3 LYS A 107 12.328 8.958 -5.418 1.00 3.87 H new ATOM 0 HZ1 LYS A 107 11.978 11.115 -5.629 1.00 4.87 H new ATOM 0 HZ2 LYS A 107 10.644 10.844 -6.644 1.00 4.87 H new ATOM 0 HZ3 LYS A 107 10.424 10.949 -4.964 1.00 4.87 H new ATOM 1336 N ALA A 108 10.821 3.563 -5.797 1.00 0.77 N ATOM 1337 CA ALA A 108 11.123 2.139 -5.641 1.00 0.73 C ATOM 1338 C ALA A 108 10.006 1.394 -4.912 1.00 0.63 C ATOM 1339 O ALA A 108 9.813 0.197 -5.109 1.00 0.68 O ATOM 1340 CB ALA A 108 12.443 1.956 -4.914 1.00 0.85 C ATOM 0 H ALA A 108 11.607 4.186 -5.614 1.00 0.77 H new ATOM 0 HA ALA A 108 11.203 1.710 -6.640 1.00 0.73 H new ATOM 0 HB1 ALA A 108 12.654 0.892 -4.805 1.00 0.85 H new ATOM 0 HB2 ALA A 108 13.242 2.428 -5.486 1.00 0.85 H new ATOM 0 HB3 ALA A 108 12.382 2.416 -3.928 1.00 0.85 H new ATOM 1346 N LEU A 109 9.273 2.114 -4.073 1.00 0.70 N ATOM 1347 CA LEU A 109 8.175 1.533 -3.316 1.00 0.80 C ATOM 1348 C LEU A 109 7.033 1.095 -4.236 1.00 0.66 C ATOM 1349 O LEU A 109 6.759 -0.101 -4.413 1.00 0.76 O ATOM 1350 CB LEU A 109 7.657 2.598 -2.347 1.00 1.05 C ATOM 1351 CG LEU A 109 6.806 2.112 -1.183 1.00 1.76 C ATOM 1352 CD1 LEU A 109 5.845 3.206 -0.748 1.00 2.64 C ATOM 1353 CD2 LEU A 109 6.042 0.836 -1.519 1.00 2.27 C ATOM 0 H LEU A 109 9.422 3.108 -3.900 1.00 0.70 H new ATOM 0 HA LEU A 109 8.534 0.652 -2.784 1.00 0.80 H new ATOM 0 HB2 LEU A 109 8.515 3.133 -1.940 1.00 1.05 H new ATOM 0 HB3 LEU A 109 7.072 3.320 -2.917 1.00 1.05 H new ATOM 0 HG LEU A 109 7.481 1.874 -0.361 1.00 1.76 H new ATOM 0 HD11 LEU A 109 5.240 2.849 0.086 1.00 2.64 H new ATOM 0 HD12 LEU A 109 6.410 4.084 -0.436 1.00 2.64 H new ATOM 0 HD13 LEU A 109 5.194 3.471 -1.581 1.00 2.64 H new ATOM 0 HD21 LEU A 109 5.450 0.529 -0.657 1.00 2.27 H new ATOM 0 HD22 LEU A 109 5.382 1.020 -2.366 1.00 2.27 H new ATOM 0 HD23 LEU A 109 6.748 0.046 -1.774 1.00 2.27 H new ATOM 1365 N ALA A 110 6.391 2.079 -4.845 1.00 0.56 N ATOM 1366 CA ALA A 110 5.292 1.824 -5.764 1.00 0.60 C ATOM 1367 C ALA A 110 5.836 1.370 -7.124 1.00 0.59 C ATOM 1368 O ALA A 110 5.123 0.774 -7.932 1.00 0.70 O ATOM 1369 CB ALA A 110 4.427 3.065 -5.858 1.00 0.79 C ATOM 0 H ALA A 110 6.613 3.067 -4.719 1.00 0.56 H new ATOM 0 HA ALA A 110 4.665 1.012 -5.395 1.00 0.60 H new ATOM 0 HB1 ALA A 110 3.601 2.882 -6.545 1.00 0.79 H new ATOM 0 HB2 ALA A 110 4.031 3.308 -4.872 1.00 0.79 H new ATOM 0 HB3 ALA A 110 5.026 3.899 -6.225 1.00 0.79 H new ATOM 1375 N ASP A 111 7.124 1.636 -7.335 1.00 0.57 N ATOM 1376 CA ASP A 111 7.839 1.255 -8.529 1.00 0.59 C ATOM 1377 C ASP A 111 8.214 -0.208 -8.415 1.00 0.55 C ATOM 1378 O ASP A 111 8.159 -0.950 -9.392 1.00 0.56 O ATOM 1379 CB ASP A 111 9.096 2.107 -8.715 1.00 0.78 C ATOM 1380 CG ASP A 111 9.893 1.698 -9.937 1.00 0.84 C ATOM 1381 OD1 ASP A 111 9.508 2.096 -11.056 1.00 0.88 O ATOM 1382 OD2 ASP A 111 10.902 0.981 -9.776 1.00 0.94 O ATOM 0 H ASP A 111 7.703 2.134 -6.659 1.00 0.57 H new ATOM 0 HA ASP A 111 7.201 1.416 -9.398 1.00 0.59 H new ATOM 0 HB2 ASP A 111 8.812 3.155 -8.804 1.00 0.78 H new ATOM 0 HB3 ASP A 111 9.725 2.021 -7.829 1.00 0.78 H new ATOM 1387 N ALA A 112 8.545 -0.644 -7.188 1.00 0.61 N ATOM 1388 CA ALA A 112 8.861 -2.050 -6.954 1.00 0.70 C ATOM 1389 C ALA A 112 7.706 -2.859 -7.494 1.00 0.67 C ATOM 1390 O ALA A 112 7.884 -3.827 -8.231 1.00 0.75 O ATOM 1391 CB ALA A 112 9.065 -2.339 -5.475 1.00 0.82 C ATOM 0 H ALA A 112 8.598 -0.050 -6.361 1.00 0.61 H new ATOM 0 HA ALA A 112 9.793 -2.311 -7.454 1.00 0.70 H new ATOM 0 HB1 ALA A 112 9.298 -3.395 -5.339 1.00 0.82 H new ATOM 0 HB2 ALA A 112 9.889 -1.734 -5.096 1.00 0.82 H new ATOM 0 HB3 ALA A 112 8.154 -2.096 -4.928 1.00 0.82 H new ATOM 1397 N ALA A 113 6.508 -2.383 -7.169 1.00 0.64 N ATOM 1398 CA ALA A 113 5.300 -2.994 -7.679 1.00 0.72 C ATOM 1399 C ALA A 113 5.230 -2.728 -9.173 1.00 0.67 C ATOM 1400 O ALA A 113 4.818 -3.579 -9.955 1.00 0.86 O ATOM 1401 CB ALA A 113 4.064 -2.427 -6.982 1.00 0.77 C ATOM 0 H ALA A 113 6.355 -1.581 -6.558 1.00 0.64 H new ATOM 0 HA ALA A 113 5.322 -4.066 -7.485 1.00 0.72 H new ATOM 0 HB1 ALA A 113 3.169 -2.903 -7.384 1.00 0.77 H new ATOM 0 HB2 ALA A 113 4.129 -2.621 -5.911 1.00 0.77 H new ATOM 0 HB3 ALA A 113 4.011 -1.352 -7.153 1.00 0.77 H new ATOM 1407 N ARG A 114 5.635 -1.521 -9.567 1.00 0.57 N ATOM 1408 CA ARG A 114 5.597 -1.140 -10.967 1.00 0.62 C ATOM 1409 C ARG A 114 6.413 -2.081 -11.844 1.00 0.65 C ATOM 1410 O ARG A 114 5.884 -2.748 -12.733 1.00 0.75 O ATOM 1411 CB ARG A 114 6.133 0.268 -11.184 1.00 0.69 C ATOM 1412 CG ARG A 114 6.060 0.721 -12.635 1.00 1.00 C ATOM 1413 CD ARG A 114 7.350 1.394 -13.084 1.00 1.56 C ATOM 1414 NE ARG A 114 7.335 1.697 -14.511 1.00 1.95 N ATOM 1415 CZ ARG A 114 8.295 2.375 -15.131 1.00 2.59 C ATOM 1416 NH1 ARG A 114 9.341 2.819 -14.448 1.00 3.23 N ATOM 1417 NH2 ARG A 114 8.211 2.610 -16.432 1.00 3.01 N ATOM 0 H ARG A 114 5.989 -0.800 -8.938 1.00 0.57 H new ATOM 0 HA ARG A 114 4.546 -1.192 -11.250 1.00 0.62 H new ATOM 0 HB2 ARG A 114 5.568 0.964 -10.564 1.00 0.69 H new ATOM 0 HB3 ARG A 114 7.169 0.311 -10.849 1.00 0.69 H new ATOM 0 HG2 ARG A 114 5.857 -0.138 -13.274 1.00 1.00 H new ATOM 0 HG3 ARG A 114 5.227 1.413 -12.758 1.00 1.00 H new ATOM 0 HD2 ARG A 114 7.496 2.314 -12.519 1.00 1.56 H new ATOM 0 HD3 ARG A 114 8.196 0.745 -12.859 1.00 1.56 H new ATOM 0 HE ARG A 114 6.543 1.370 -15.064 1.00 1.95 H new ATOM 0 HH11 ARG A 114 9.409 2.640 -13.446 1.00 3.23 H new ATOM 0 HH12 ARG A 114 10.078 3.339 -14.924 1.00 3.23 H new ATOM 0 HH21 ARG A 114 7.408 2.270 -16.961 1.00 3.01 H new ATOM 0 HH22 ARG A 114 8.950 3.131 -16.905 1.00 3.01 H new ATOM 1431 N GLU A 115 7.718 -2.104 -11.590 1.00 0.63 N ATOM 1432 CA GLU A 115 8.642 -2.929 -12.351 1.00 0.71 C ATOM 1433 C GLU A 115 8.153 -4.367 -12.424 1.00 0.85 C ATOM 1434 O GLU A 115 8.097 -4.956 -13.503 1.00 1.02 O ATOM 1435 CB GLU A 115 10.036 -2.855 -11.730 1.00 0.67 C ATOM 1436 CG GLU A 115 10.128 -3.496 -10.355 1.00 1.21 C ATOM 1437 CD GLU A 115 11.514 -3.384 -9.754 1.00 1.83 C ATOM 1438 OE1 GLU A 115 11.841 -2.309 -9.212 1.00 1.97 O ATOM 1439 OE2 GLU A 115 12.275 -4.373 -9.829 1.00 2.59 O ATOM 0 H GLU A 115 8.160 -1.553 -10.854 1.00 0.63 H new ATOM 0 HA GLU A 115 8.694 -2.548 -13.371 1.00 0.71 H new ATOM 0 HB2 GLU A 115 10.747 -3.343 -12.397 1.00 0.67 H new ATOM 0 HB3 GLU A 115 10.335 -1.810 -11.654 1.00 0.67 H new ATOM 0 HG2 GLU A 115 9.407 -3.023 -9.688 1.00 1.21 H new ATOM 0 HG3 GLU A 115 9.851 -4.548 -10.429 1.00 1.21 H new ATOM 1446 N ALA A 116 7.777 -4.923 -11.280 1.00 0.84 N ATOM 1447 CA ALA A 116 7.270 -6.285 -11.244 1.00 1.03 C ATOM 1448 C ALA A 116 6.087 -6.420 -12.190 1.00 1.11 C ATOM 1449 O ALA A 116 5.819 -7.495 -12.727 1.00 1.28 O ATOM 1450 CB ALA A 116 6.874 -6.671 -9.826 1.00 1.08 C ATOM 0 H ALA A 116 7.813 -4.456 -10.374 1.00 0.84 H new ATOM 0 HA ALA A 116 8.058 -6.964 -11.569 1.00 1.03 H new ATOM 0 HB1 ALA A 116 6.497 -7.694 -9.819 1.00 1.08 H new ATOM 0 HB2 ALA A 116 7.744 -6.601 -9.173 1.00 1.08 H new ATOM 0 HB3 ALA A 116 6.097 -5.995 -9.469 1.00 1.08 H new ATOM 1456 N GLY A 117 5.392 -5.308 -12.396 1.00 1.01 N ATOM 1457 CA GLY A 117 4.252 -5.288 -13.283 1.00 1.09 C ATOM 1458 C GLY A 117 3.206 -4.305 -12.825 1.00 0.98 C ATOM 1459 O GLY A 117 2.284 -4.659 -12.090 1.00 1.07 O ATOM 0 H GLY A 117 5.604 -4.412 -11.957 1.00 1.01 H new ATOM 0 HA2 GLY A 117 4.579 -5.029 -14.290 1.00 1.09 H new ATOM 0 HA3 GLY A 117 3.815 -6.285 -13.337 1.00 1.09 H new ATOM 1463 N LEU A 118 3.364 -3.059 -13.244 1.00 0.99 N ATOM 1464 CA LEU A 118 2.436 -2.010 -12.853 1.00 1.08 C ATOM 1465 C LEU A 118 1.101 -2.138 -13.569 1.00 0.96 C ATOM 1466 O LEU A 118 0.938 -1.669 -14.696 1.00 1.25 O ATOM 1467 CB LEU A 118 3.012 -0.622 -13.149 1.00 1.61 C ATOM 1468 CG LEU A 118 2.326 0.525 -12.405 1.00 2.05 C ATOM 1469 CD1 LEU A 118 0.980 0.838 -13.037 1.00 2.65 C ATOM 1470 CD2 LEU A 118 2.152 0.176 -10.932 1.00 2.48 C ATOM 0 H LEU A 118 4.123 -2.751 -13.852 1.00 0.99 H new ATOM 0 HA LEU A 118 2.280 -2.126 -11.781 1.00 1.08 H new ATOM 0 HB2 LEU A 118 4.072 -0.621 -12.893 1.00 1.61 H new ATOM 0 HB3 LEU A 118 2.942 -0.435 -14.221 1.00 1.61 H new ATOM 0 HG LEU A 118 2.958 1.410 -12.479 1.00 2.05 H new ATOM 0 HD11 LEU A 118 0.505 1.656 -12.496 1.00 2.65 H new ATOM 0 HD12 LEU A 118 1.125 1.128 -14.078 1.00 2.65 H new ATOM 0 HD13 LEU A 118 0.343 -0.045 -12.992 1.00 2.65 H new ATOM 0 HD21 LEU A 118 1.662 1.003 -10.418 1.00 2.48 H new ATOM 0 HD22 LEU A 118 1.540 -0.721 -10.841 1.00 2.48 H new ATOM 0 HD23 LEU A 118 3.129 -0.003 -10.483 1.00 2.48 H new ATOM 1482 N GLU A 119 0.135 -2.716 -12.879 1.00 0.73 N ATOM 1483 CA GLU A 119 -1.207 -2.843 -13.404 1.00 0.78 C ATOM 1484 C GLU A 119 -2.177 -2.493 -12.294 1.00 0.72 C ATOM 1485 O GLU A 119 -2.378 -3.280 -11.369 1.00 0.66 O ATOM 1486 CB GLU A 119 -1.473 -4.270 -13.888 1.00 0.84 C ATOM 1487 CG GLU A 119 -0.363 -4.842 -14.749 1.00 1.48 C ATOM 1488 CD GLU A 119 -0.569 -6.310 -15.065 1.00 2.17 C ATOM 1489 OE1 GLU A 119 -0.216 -7.155 -14.216 1.00 2.85 O ATOM 1490 OE2 GLU A 119 -1.086 -6.615 -16.161 1.00 2.56 O ATOM 0 H GLU A 119 0.260 -3.107 -11.945 1.00 0.73 H new ATOM 0 HA GLU A 119 -1.331 -2.173 -14.255 1.00 0.78 H new ATOM 0 HB2 GLU A 119 -1.618 -4.916 -13.022 1.00 0.84 H new ATOM 0 HB3 GLU A 119 -2.404 -4.284 -14.455 1.00 0.84 H new ATOM 0 HG2 GLU A 119 -0.303 -4.279 -15.680 1.00 1.48 H new ATOM 0 HG3 GLU A 119 0.591 -4.715 -14.238 1.00 1.48 H new ATOM 1497 N PHE A 120 -2.778 -1.314 -12.402 1.00 0.85 N ATOM 1498 CA PHE A 120 -3.737 -0.825 -11.415 1.00 0.91 C ATOM 1499 C PHE A 120 -3.914 0.681 -11.544 1.00 1.15 C ATOM 1500 O PHE A 120 -2.889 1.389 -11.629 1.00 1.57 O ATOM 1501 CB PHE A 120 -3.332 -1.206 -9.986 1.00 0.78 C ATOM 1502 CG PHE A 120 -4.298 -2.186 -9.371 1.00 1.08 C ATOM 1503 CD1 PHE A 120 -4.875 -3.186 -10.142 1.00 1.42 C ATOM 1504 CD2 PHE A 120 -4.621 -2.111 -8.039 1.00 1.53 C ATOM 1505 CE1 PHE A 120 -5.764 -4.089 -9.586 1.00 1.77 C ATOM 1506 CE2 PHE A 120 -5.507 -3.011 -7.469 1.00 1.97 C ATOM 1507 CZ PHE A 120 -6.083 -3.996 -8.246 1.00 1.95 C ATOM 1508 OXT PHE A 120 -5.073 1.135 -11.583 1.00 1.71 O ATOM 0 H PHE A 120 -2.615 -0.669 -13.175 1.00 0.85 H new ATOM 0 HA PHE A 120 -4.693 -1.308 -11.619 1.00 0.91 H new ATOM 0 HB2 PHE A 120 -2.332 -1.639 -9.995 1.00 0.78 H new ATOM 0 HB3 PHE A 120 -3.285 -0.308 -9.370 1.00 0.78 H new ATOM 0 HD1 PHE A 120 -4.627 -3.260 -11.190 1.00 1.42 H new ATOM 0 HD2 PHE A 120 -4.178 -1.339 -7.427 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -6.206 -4.862 -10.197 1.00 1.77 H new ATOM 0 HE2 PHE A 120 -5.747 -2.942 -6.418 1.00 1.97 H new ATOM 0 HZ PHE A 120 -6.782 -4.692 -7.807 1.00 1.95 H new TER 1518 PHE A 120