USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 755 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 43 TYR OH : rot -168:sc= 1.01 USER MOD Set 1.2: A 65 GLN : amide:sc= -1.56 K(o=-0.55,f=0.85) USER MOD Set 2.1: A 16 HIS : no HE2:sc= 0.328 K(o=-0.12,f=-3.5) USER MOD Set 2.2: A 21 ASN : amide:sc= -0.447 K(o=-0.12,f=0.53) USER MOD Set 3.1: A 10 TYR OH : rot 180:sc= -0.13 USER MOD Set 3.2: A 14 GLN : amide:sc= -0.051 K(o=-1.5,f=0.65) USER MOD Set 3.3: A 45 HIS : no HD1:sc= -1.27 K(o=-1.5,f=1) USER MOD Single : A 1 GLU N :NH3+ 174:sc= 0.292 (180deg=0.133) USER MOD Single : A 8 THR OG1 : rot -120:sc= -1.52! USER MOD Single : A 18 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0702) USER MOD Single : A 19 HIS : no HD1:sc= -1.12 K(o=-1.1,f=0.31) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 87:sc= 1.65 USER MOD Single : A 39 TYR OH : rot 169:sc= 0.198 USER MOD Single : A 42 THR OG1 : rot 27:sc= -0.341! USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 161:sc= -1.03 (180deg=-1.89!) USER MOD Single : A 50 TYR OH : rot 24:sc= 0.267 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 77:sc= 1.01 USER MOD Single : A 63 TYR OH : rot -158:sc= -1.23 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -2.93! C(o=-2.9!,f=-1.5!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 173:sc= -0.0714 (180deg=-0.221) USER MOD Single : A 94 HIS : no HD1:sc= -0.0036 X(o=-0.0036,f=-0.1) USER MOD Single : A 95 HIS : no HE2:sc= -2.12! C(o=-2.1!,f=-3.9!) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.258 X(o=-0.26,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.513 1.608 -2.983 1.00 5.20 N ATOM 2 CA GLU A 1 2.607 0.607 -3.141 1.00 60.40 C ATOM 3 C GLU A 1 2.180 -0.573 -4.031 1.00 33.24 C ATOM 4 O GLU A 1 2.780 -1.646 -3.988 1.00 41.43 O ATOM 5 CB GLU A 1 3.045 0.091 -1.761 1.00 12.21 C ATOM 6 CG GLU A 1 3.568 1.184 -0.838 1.00 63.20 C ATOM 7 CD GLU A 1 4.024 0.645 0.507 1.00 73.21 C ATOM 8 OE1 GLU A 1 3.163 0.368 1.366 1.00 60.25 O ATOM 9 OE2 GLU A 1 5.244 0.484 0.708 1.00 32.23 O ATOM 0 H1 GLU A 1 1.803 2.334 -2.297 1.00 5.20 H new ATOM 0 H2 GLU A 1 1.318 2.057 -3.901 1.00 5.20 H new ATOM 0 H3 GLU A 1 0.654 1.132 -2.641 1.00 5.20 H new ATOM 0 HA GLU A 1 3.444 1.104 -3.631 1.00 60.40 H new ATOM 0 HB2 GLU A 1 2.200 -0.403 -1.282 1.00 12.21 H new ATOM 0 HB3 GLU A 1 3.821 -0.663 -1.894 1.00 12.21 H new ATOM 0 HG2 GLU A 1 4.401 1.695 -1.322 1.00 63.20 H new ATOM 0 HG3 GLU A 1 2.786 1.927 -0.681 1.00 63.20 H new ATOM 18 N ASP A 2 1.158 -0.365 -4.859 1.00 14.03 N ATOM 19 CA ASP A 2 0.658 -1.418 -5.751 1.00 64.41 C ATOM 20 C ASP A 2 1.464 -1.466 -7.067 1.00 51.41 C ATOM 21 O ASP A 2 2.178 -0.518 -7.396 1.00 60.25 O ATOM 22 CB ASP A 2 -0.830 -1.182 -6.039 1.00 21.53 C ATOM 23 CG ASP A 2 -1.644 -1.076 -4.763 1.00 13.14 C ATOM 24 OD1 ASP A 2 -1.580 -2.004 -3.931 1.00 55.21 O ATOM 25 OD2 ASP A 2 -2.338 -0.055 -4.571 1.00 1.52 O ATOM 0 H ASP A 2 0.658 0.521 -4.933 1.00 14.03 H new ATOM 0 HA ASP A 2 0.781 -2.381 -5.255 1.00 64.41 H new ATOM 0 HB2 ASP A 2 -0.946 -0.268 -6.621 1.00 21.53 H new ATOM 0 HB3 ASP A 2 -1.216 -1.999 -6.649 1.00 21.53 H new ATOM 30 N PRO A 3 1.374 -2.576 -7.836 1.00 11.21 N ATOM 31 CA PRO A 3 2.076 -2.708 -9.133 1.00 71.24 C ATOM 32 C PRO A 3 1.776 -1.555 -10.113 1.00 22.40 C ATOM 33 O PRO A 3 2.532 -1.318 -11.062 1.00 22.31 O ATOM 34 CB PRO A 3 1.546 -4.040 -9.686 1.00 42.11 C ATOM 35 CG PRO A 3 1.141 -4.816 -8.479 1.00 64.14 C ATOM 36 CD PRO A 3 0.617 -3.801 -7.498 1.00 13.22 C ATOM 0 HA PRO A 3 3.158 -2.676 -9.006 1.00 71.24 H new ATOM 0 HB2 PRO A 3 0.702 -3.882 -10.357 1.00 42.11 H new ATOM 0 HB3 PRO A 3 2.312 -4.565 -10.256 1.00 42.11 H new ATOM 0 HG2 PRO A 3 0.377 -5.553 -8.726 1.00 64.14 H new ATOM 0 HG3 PRO A 3 1.987 -5.362 -8.063 1.00 64.14 H new ATOM 0 HD2 PRO A 3 -0.457 -3.653 -7.608 1.00 13.22 H new ATOM 0 HD3 PRO A 3 0.792 -4.110 -6.468 1.00 13.22 H new ATOM 44 N GLU A 4 0.670 -0.849 -9.880 1.00 10.23 N ATOM 45 CA GLU A 4 0.276 0.289 -10.719 1.00 34.33 C ATOM 46 C GLU A 4 1.044 1.572 -10.345 1.00 3.23 C ATOM 47 O GLU A 4 1.209 2.468 -11.176 1.00 53.35 O ATOM 48 CB GLU A 4 -1.239 0.517 -10.615 1.00 23.42 C ATOM 49 CG GLU A 4 -2.060 -0.678 -11.091 1.00 21.21 C ATOM 50 CD GLU A 4 -3.560 -0.476 -10.936 1.00 13.11 C ATOM 51 OE1 GLU A 4 -4.178 0.143 -11.829 1.00 30.23 O ATOM 52 OE2 GLU A 4 -4.129 -0.935 -9.921 1.00 15.24 O ATOM 0 H GLU A 4 0.026 -1.044 -9.114 1.00 10.23 H new ATOM 0 HA GLU A 4 0.533 0.049 -11.751 1.00 34.33 H new ATOM 0 HB2 GLU A 4 -1.497 0.737 -9.579 1.00 23.42 H new ATOM 0 HB3 GLU A 4 -1.509 1.393 -11.204 1.00 23.42 H new ATOM 0 HG2 GLU A 4 -1.833 -0.872 -12.139 1.00 21.21 H new ATOM 0 HG3 GLU A 4 -1.759 -1.563 -10.530 1.00 21.21 H new ATOM 59 N ASP A 5 1.512 1.652 -9.095 1.00 74.11 N ATOM 60 CA ASP A 5 2.338 2.778 -8.639 1.00 12.34 C ATOM 61 C ASP A 5 3.619 2.909 -9.482 1.00 45.33 C ATOM 62 O ASP A 5 4.436 1.981 -9.511 1.00 32.54 O ATOM 63 CB ASP A 5 2.739 2.589 -7.172 1.00 51.32 C ATOM 64 CG ASP A 5 1.564 2.589 -6.215 1.00 4.33 C ATOM 65 OD1 ASP A 5 0.576 1.878 -6.469 1.00 5.11 O ATOM 66 OD2 ASP A 5 1.649 3.263 -5.171 1.00 51.41 O ATOM 0 H ASP A 5 1.333 0.949 -8.378 1.00 74.11 H new ATOM 0 HA ASP A 5 1.740 3.683 -8.750 1.00 12.34 H new ATOM 0 HB2 ASP A 5 3.279 1.648 -7.070 1.00 51.32 H new ATOM 0 HB3 ASP A 5 3.428 3.384 -6.887 1.00 51.32 H new ATOM 71 N PRO A 6 3.809 4.054 -10.178 1.00 20.12 N ATOM 72 CA PRO A 6 5.013 4.334 -10.972 1.00 11.23 C ATOM 73 C PRO A 6 6.309 3.804 -10.333 1.00 15.44 C ATOM 74 O PRO A 6 7.071 3.075 -10.969 1.00 75.32 O ATOM 75 CB PRO A 6 5.042 5.864 -11.036 1.00 13.32 C ATOM 76 CG PRO A 6 3.623 6.313 -10.848 1.00 73.22 C ATOM 77 CD PRO A 6 2.834 5.154 -10.278 1.00 34.41 C ATOM 0 HA PRO A 6 4.969 3.841 -11.943 1.00 11.23 H new ATOM 0 HB2 PRO A 6 5.687 6.275 -10.259 1.00 13.32 H new ATOM 0 HB3 PRO A 6 5.436 6.207 -11.993 1.00 13.32 H new ATOM 0 HG2 PRO A 6 3.581 7.169 -10.175 1.00 73.22 H new ATOM 0 HG3 PRO A 6 3.196 6.633 -11.798 1.00 73.22 H new ATOM 0 HD2 PRO A 6 2.414 5.402 -9.303 1.00 34.41 H new ATOM 0 HD3 PRO A 6 1.999 4.886 -10.926 1.00 34.41 H new ATOM 85 N PHE A 7 6.543 4.164 -9.070 1.00 62.54 N ATOM 86 CA PHE A 7 7.752 3.737 -8.357 1.00 60.54 C ATOM 87 C PHE A 7 7.816 2.208 -8.180 1.00 64.00 C ATOM 88 O PHE A 7 8.885 1.612 -8.300 1.00 72.12 O ATOM 89 CB PHE A 7 7.846 4.430 -6.991 1.00 10.23 C ATOM 90 CG PHE A 7 9.098 4.074 -6.223 1.00 1.54 C ATOM 91 CD1 PHE A 7 10.335 4.559 -6.628 1.00 44.25 C ATOM 92 CD2 PHE A 7 9.042 3.247 -5.110 1.00 54.30 C ATOM 93 CE1 PHE A 7 11.486 4.228 -5.939 1.00 13.34 C ATOM 94 CE2 PHE A 7 10.192 2.912 -4.420 1.00 31.33 C ATOM 95 CZ PHE A 7 11.415 3.404 -4.834 1.00 75.14 C ATOM 0 H PHE A 7 5.914 4.749 -8.519 1.00 62.54 H new ATOM 0 HA PHE A 7 8.604 4.032 -8.970 1.00 60.54 H new ATOM 0 HB2 PHE A 7 7.812 5.510 -7.136 1.00 10.23 H new ATOM 0 HB3 PHE A 7 6.974 4.161 -6.395 1.00 10.23 H new ATOM 0 HD1 PHE A 7 10.398 5.203 -7.493 1.00 44.25 H new ATOM 0 HD2 PHE A 7 8.089 2.861 -4.779 1.00 54.30 H new ATOM 0 HE1 PHE A 7 12.441 4.614 -6.265 1.00 13.34 H new ATOM 0 HE2 PHE A 7 10.135 2.265 -3.557 1.00 31.33 H new ATOM 0 HZ PHE A 7 12.314 3.144 -4.294 1.00 75.14 H new ATOM 105 N THR A 8 6.675 1.574 -7.904 1.00 61.32 N ATOM 106 CA THR A 8 6.643 0.117 -7.679 1.00 30.41 C ATOM 107 C THR A 8 7.015 -0.644 -8.958 1.00 52.41 C ATOM 108 O THR A 8 7.954 -1.438 -8.978 1.00 43.11 O ATOM 109 CB THR A 8 5.246 -0.370 -7.220 1.00 41.12 C ATOM 110 OG1 THR A 8 4.770 0.423 -6.126 1.00 54.34 O ATOM 111 CG2 THR A 8 5.280 -1.839 -6.799 1.00 22.14 C ATOM 0 H THR A 8 5.768 2.035 -7.830 1.00 61.32 H new ATOM 0 HA THR A 8 7.370 -0.085 -6.892 1.00 30.41 H new ATOM 0 HB THR A 8 4.570 -0.264 -8.068 1.00 41.12 H new ATOM 0 HG1 THR A 8 4.618 -0.152 -5.347 1.00 54.34 H new ATOM 0 HG21 THR A 8 4.284 -2.150 -6.482 1.00 22.14 H new ATOM 0 HG22 THR A 8 5.601 -2.452 -7.642 1.00 22.14 H new ATOM 0 HG23 THR A 8 5.979 -1.964 -5.972 1.00 22.14 H new ATOM 119 N ARG A 9 6.272 -0.376 -10.027 1.00 52.22 N ATOM 120 CA ARG A 9 6.524 -0.996 -11.339 1.00 72.53 C ATOM 121 C ARG A 9 7.948 -0.690 -11.849 1.00 71.00 C ATOM 122 O ARG A 9 8.598 -1.538 -12.465 1.00 13.33 O ATOM 123 CB ARG A 9 5.451 -0.523 -12.339 1.00 23.11 C ATOM 124 CG ARG A 9 5.203 0.988 -12.309 1.00 14.32 C ATOM 125 CD ARG A 9 3.799 1.366 -12.781 1.00 12.32 C ATOM 126 NE ARG A 9 3.638 1.261 -14.226 1.00 74.34 N ATOM 127 CZ ARG A 9 3.044 0.271 -14.828 1.00 2.01 C ATOM 128 NH1 ARG A 9 2.533 -0.707 -14.146 1.00 32.51 N ATOM 129 NH2 ARG A 9 2.936 0.270 -16.114 1.00 54.34 N ATOM 0 H ARG A 9 5.483 0.270 -10.017 1.00 52.22 H new ATOM 0 HA ARG A 9 6.459 -2.079 -11.235 1.00 72.53 H new ATOM 0 HB2 ARG A 9 5.753 -0.813 -13.346 1.00 23.11 H new ATOM 0 HB3 ARG A 9 4.515 -1.040 -12.126 1.00 23.11 H new ATOM 0 HG2 ARG A 9 5.352 1.356 -11.294 1.00 14.32 H new ATOM 0 HG3 ARG A 9 5.940 1.485 -12.940 1.00 14.32 H new ATOM 0 HD2 ARG A 9 3.070 0.720 -12.292 1.00 12.32 H new ATOM 0 HD3 ARG A 9 3.579 2.387 -12.469 1.00 12.32 H new ATOM 0 HE ARG A 9 4.015 2.012 -14.803 1.00 74.34 H new ATOM 0 HH11 ARG A 9 2.594 -0.705 -13.128 1.00 32.51 H new ATOM 0 HH12 ARG A 9 2.070 -1.478 -14.628 1.00 32.51 H new ATOM 0 HH21 ARG A 9 3.316 1.044 -16.658 1.00 54.34 H new ATOM 0 HH22 ARG A 9 2.471 -0.505 -16.586 1.00 54.34 H new ATOM 143 N TYR A 10 8.426 0.521 -11.568 1.00 14.42 N ATOM 144 CA TYR A 10 9.805 0.921 -11.882 1.00 13.33 C ATOM 145 C TYR A 10 10.822 0.108 -11.056 1.00 2.42 C ATOM 146 O TYR A 10 11.873 -0.300 -11.560 1.00 20.23 O ATOM 147 CB TYR A 10 9.964 2.426 -11.608 1.00 1.24 C ATOM 148 CG TYR A 10 11.365 2.977 -11.802 1.00 24.22 C ATOM 149 CD1 TYR A 10 11.854 3.272 -13.071 1.00 31.43 C ATOM 150 CD2 TYR A 10 12.186 3.231 -10.709 1.00 13.25 C ATOM 151 CE1 TYR A 10 13.119 3.804 -13.241 1.00 1.41 C ATOM 152 CE2 TYR A 10 13.450 3.756 -10.873 1.00 75.22 C ATOM 153 CZ TYR A 10 13.913 4.043 -12.138 1.00 32.53 C ATOM 154 OH TYR A 10 15.172 4.576 -12.300 1.00 54.34 O ATOM 0 H TYR A 10 7.875 1.252 -11.119 1.00 14.42 H new ATOM 0 HA TYR A 10 10.004 0.718 -12.934 1.00 13.33 H new ATOM 0 HB2 TYR A 10 9.283 2.971 -12.262 1.00 1.24 H new ATOM 0 HB3 TYR A 10 9.651 2.627 -10.583 1.00 1.24 H new ATOM 0 HD1 TYR A 10 11.236 3.083 -13.936 1.00 31.43 H new ATOM 0 HD2 TYR A 10 11.827 3.013 -9.714 1.00 13.25 H new ATOM 0 HE1 TYR A 10 13.484 4.031 -14.232 1.00 1.41 H new ATOM 0 HE2 TYR A 10 14.075 3.942 -10.012 1.00 75.22 H new ATOM 0 HH TYR A 10 15.598 4.682 -11.424 1.00 54.34 H new ATOM 164 N ALA A 11 10.491 -0.135 -9.788 1.00 11.41 N ATOM 165 CA ALA A 11 11.356 -0.907 -8.890 1.00 62.34 C ATOM 166 C ALA A 11 11.502 -2.366 -9.354 1.00 10.23 C ATOM 167 O ALA A 11 12.617 -2.880 -9.455 1.00 3.25 O ATOM 168 CB ALA A 11 10.823 -0.854 -7.460 1.00 5.23 C ATOM 0 H ALA A 11 9.627 0.192 -9.356 1.00 11.41 H new ATOM 0 HA ALA A 11 12.346 -0.452 -8.916 1.00 62.34 H new ATOM 0 HB1 ALA A 11 11.476 -1.432 -6.806 1.00 5.23 H new ATOM 0 HB2 ALA A 11 10.794 0.181 -7.121 1.00 5.23 H new ATOM 0 HB3 ALA A 11 9.817 -1.274 -7.431 1.00 5.23 H new ATOM 174 N LEU A 12 10.372 -3.023 -9.647 1.00 61.22 N ATOM 175 CA LEU A 12 10.381 -4.418 -10.125 1.00 3.32 C ATOM 176 C LEU A 12 11.257 -4.578 -11.378 1.00 11.31 C ATOM 177 O LEU A 12 11.940 -5.594 -11.543 1.00 40.25 O ATOM 178 CB LEU A 12 8.948 -4.910 -10.415 1.00 13.30 C ATOM 179 CG LEU A 12 8.163 -5.449 -9.201 1.00 0.41 C ATOM 180 CD1 LEU A 12 8.854 -6.681 -8.617 1.00 2.23 C ATOM 181 CD2 LEU A 12 7.992 -4.372 -8.132 1.00 21.22 C ATOM 0 H LEU A 12 9.441 -2.615 -9.563 1.00 61.22 H new ATOM 0 HA LEU A 12 10.808 -5.030 -9.331 1.00 3.32 H new ATOM 0 HB2 LEU A 12 8.383 -4.087 -10.852 1.00 13.30 H new ATOM 0 HB3 LEU A 12 9.000 -5.696 -11.168 1.00 13.30 H new ATOM 0 HG LEU A 12 7.171 -5.740 -9.546 1.00 0.41 H new ATOM 0 HD11 LEU A 12 8.285 -7.046 -7.762 1.00 2.23 H new ATOM 0 HD12 LEU A 12 8.909 -7.461 -9.376 1.00 2.23 H new ATOM 0 HD13 LEU A 12 9.861 -6.415 -8.296 1.00 2.23 H new ATOM 0 HD21 LEU A 12 7.435 -4.781 -7.289 1.00 21.22 H new ATOM 0 HD22 LEU A 12 8.972 -4.038 -7.792 1.00 21.22 H new ATOM 0 HD23 LEU A 12 7.446 -3.527 -8.551 1.00 21.22 H new ATOM 193 N ALA A 13 11.235 -3.577 -12.254 1.00 64.12 N ATOM 194 CA ALA A 13 12.105 -3.566 -13.432 1.00 41.41 C ATOM 195 C ALA A 13 13.586 -3.673 -13.030 1.00 22.23 C ATOM 196 O ALA A 13 14.313 -4.547 -13.509 1.00 13.33 O ATOM 197 CB ALA A 13 11.856 -2.305 -14.252 1.00 75.35 C ATOM 0 H ALA A 13 10.626 -2.763 -12.173 1.00 64.12 H new ATOM 0 HA ALA A 13 11.867 -4.436 -14.044 1.00 41.41 H new ATOM 0 HB1 ALA A 13 12.507 -2.305 -15.126 1.00 75.35 H new ATOM 0 HB2 ALA A 13 10.815 -2.281 -14.575 1.00 75.35 H new ATOM 0 HB3 ALA A 13 12.067 -1.427 -13.642 1.00 75.35 H new ATOM 203 N GLN A 14 14.012 -2.796 -12.121 1.00 24.44 N ATOM 204 CA GLN A 14 15.392 -2.799 -11.624 1.00 13.02 C ATOM 205 C GLN A 14 15.730 -4.121 -10.911 1.00 52.23 C ATOM 206 O GLN A 14 16.828 -4.657 -11.064 1.00 33.31 O ATOM 207 CB GLN A 14 15.614 -1.610 -10.679 1.00 3.21 C ATOM 208 CG GLN A 14 15.425 -0.252 -11.350 1.00 13.52 C ATOM 209 CD GLN A 14 15.704 0.915 -10.418 1.00 4.51 C ATOM 210 OE1 GLN A 14 15.495 0.834 -9.215 1.00 33.31 O ATOM 211 NE2 GLN A 14 16.183 2.012 -10.967 1.00 4.35 N ATOM 0 H GLN A 14 13.421 -2.072 -11.712 1.00 24.44 H new ATOM 0 HA GLN A 14 16.059 -2.704 -12.480 1.00 13.02 H new ATOM 0 HB2 GLN A 14 14.924 -1.690 -9.839 1.00 3.21 H new ATOM 0 HB3 GLN A 14 16.622 -1.666 -10.269 1.00 3.21 H new ATOM 0 HG2 GLN A 14 16.085 -0.185 -12.215 1.00 13.52 H new ATOM 0 HG3 GLN A 14 14.403 -0.176 -11.723 1.00 13.52 H new ATOM 0 HE21 GLN A 14 16.347 2.049 -11.973 1.00 4.35 H new ATOM 0 HE22 GLN A 14 16.390 2.824 -10.386 1.00 4.35 H new ATOM 220 N GLU A 15 14.774 -4.648 -10.143 1.00 30.33 N ATOM 221 CA GLU A 15 14.952 -5.937 -9.464 1.00 44.45 C ATOM 222 C GLU A 15 15.247 -7.057 -10.476 1.00 43.32 C ATOM 223 O GLU A 15 16.127 -7.893 -10.259 1.00 33.35 O ATOM 224 CB GLU A 15 13.702 -6.292 -8.644 1.00 43.45 C ATOM 225 CG GLU A 15 13.386 -5.308 -7.519 1.00 41.41 C ATOM 226 CD GLU A 15 14.459 -5.269 -6.438 1.00 34.42 C ATOM 227 OE1 GLU A 15 14.529 -6.219 -5.628 1.00 51.20 O ATOM 228 OE2 GLU A 15 15.219 -4.280 -6.374 1.00 0.04 O ATOM 0 H GLU A 15 13.871 -4.205 -9.975 1.00 30.33 H new ATOM 0 HA GLU A 15 15.804 -5.844 -8.791 1.00 44.45 H new ATOM 0 HB2 GLU A 15 12.845 -6.345 -9.315 1.00 43.45 H new ATOM 0 HB3 GLU A 15 13.833 -7.285 -8.215 1.00 43.45 H new ATOM 0 HG2 GLU A 15 13.267 -4.310 -7.941 1.00 41.41 H new ATOM 0 HG3 GLU A 15 12.432 -5.578 -7.066 1.00 41.41 H new ATOM 235 N HIS A 16 14.514 -7.060 -11.591 1.00 44.34 N ATOM 236 CA HIS A 16 14.731 -8.050 -12.650 1.00 22.32 C ATOM 237 C HIS A 16 16.118 -7.893 -13.300 1.00 14.34 C ATOM 238 O HIS A 16 16.740 -8.883 -13.689 1.00 3.23 O ATOM 239 CB HIS A 16 13.621 -7.965 -13.705 1.00 62.25 C ATOM 240 CG HIS A 16 12.341 -8.619 -13.271 1.00 15.13 C ATOM 241 ND1 HIS A 16 12.224 -9.980 -13.059 1.00 35.24 N ATOM 242 CD2 HIS A 16 11.117 -8.099 -13.009 1.00 61.33 C ATOM 243 CE1 HIS A 16 10.992 -10.263 -12.690 1.00 54.03 C ATOM 244 NE2 HIS A 16 10.302 -9.144 -12.651 1.00 34.21 N ATOM 0 H HIS A 16 13.768 -6.392 -11.785 1.00 44.34 H new ATOM 0 HA HIS A 16 14.697 -9.038 -12.190 1.00 22.32 H new ATOM 0 HB2 HIS A 16 13.426 -6.917 -13.935 1.00 62.25 H new ATOM 0 HB3 HIS A 16 13.967 -8.434 -14.626 1.00 62.25 H new ATOM 0 HD1 HIS A 16 12.976 -10.660 -13.171 1.00 35.24 H new ATOM 0 HD2 HIS A 16 10.836 -7.058 -13.070 1.00 61.33 H new ATOM 0 HE1 HIS A 16 10.612 -11.247 -12.459 1.00 54.03 H new ATOM 253 N LEU A 17 16.604 -6.656 -13.400 1.00 25.25 N ATOM 254 CA LEU A 17 17.961 -6.399 -13.909 1.00 23.21 C ATOM 255 C LEU A 17 19.030 -7.053 -13.017 1.00 75.03 C ATOM 256 O LEU A 17 20.109 -7.420 -13.487 1.00 1.02 O ATOM 257 CB LEU A 17 18.221 -4.887 -14.011 1.00 44.24 C ATOM 258 CG LEU A 17 17.380 -4.142 -15.061 1.00 61.34 C ATOM 259 CD1 LEU A 17 17.684 -2.644 -15.036 1.00 41.45 C ATOM 260 CD2 LEU A 17 17.627 -4.719 -16.454 1.00 31.51 C ATOM 0 H LEU A 17 16.086 -5.817 -13.138 1.00 25.25 H new ATOM 0 HA LEU A 17 18.028 -6.842 -14.902 1.00 23.21 H new ATOM 0 HB2 LEU A 17 18.035 -4.437 -13.036 1.00 44.24 H new ATOM 0 HB3 LEU A 17 19.276 -4.731 -14.238 1.00 44.24 H new ATOM 0 HG LEU A 17 16.327 -4.279 -14.814 1.00 61.34 H new ATOM 0 HD11 LEU A 17 17.078 -2.137 -15.787 1.00 41.45 H new ATOM 0 HD12 LEU A 17 17.451 -2.242 -14.050 1.00 41.45 H new ATOM 0 HD13 LEU A 17 18.740 -2.483 -15.253 1.00 41.45 H new ATOM 0 HD21 LEU A 17 17.023 -4.179 -17.184 1.00 31.51 H new ATOM 0 HD22 LEU A 17 18.682 -4.616 -16.709 1.00 31.51 H new ATOM 0 HD23 LEU A 17 17.352 -5.774 -16.465 1.00 31.51 H new ATOM 272 N LYS A 18 18.722 -7.195 -11.729 1.00 5.14 N ATOM 273 CA LYS A 18 19.626 -7.856 -10.778 1.00 53.31 C ATOM 274 C LYS A 18 19.614 -9.386 -10.956 1.00 71.14 C ATOM 275 O LYS A 18 20.551 -10.075 -10.554 1.00 51.55 O ATOM 276 CB LYS A 18 19.223 -7.504 -9.339 1.00 42.34 C ATOM 277 CG LYS A 18 19.310 -6.014 -9.014 1.00 53.34 C ATOM 278 CD LYS A 18 18.798 -5.709 -7.607 1.00 40.00 C ATOM 279 CE LYS A 18 19.605 -6.428 -6.529 1.00 65.24 C ATOM 280 NZ LYS A 18 21.034 -6.006 -6.518 1.00 21.34 N ATOM 0 H LYS A 18 17.851 -6.861 -11.315 1.00 5.14 H new ATOM 0 HA LYS A 18 20.636 -7.498 -10.977 1.00 53.31 H new ATOM 0 HB2 LYS A 18 18.202 -7.844 -9.166 1.00 42.34 H new ATOM 0 HB3 LYS A 18 19.863 -8.053 -8.649 1.00 42.34 H new ATOM 0 HG2 LYS A 18 20.344 -5.682 -9.104 1.00 53.34 H new ATOM 0 HG3 LYS A 18 18.729 -5.449 -9.743 1.00 53.34 H new ATOM 0 HD2 LYS A 18 18.840 -4.634 -7.433 1.00 40.00 H new ATOM 0 HD3 LYS A 18 17.751 -6.004 -7.532 1.00 40.00 H new ATOM 0 HE2 LYS A 18 19.162 -6.229 -5.553 1.00 65.24 H new ATOM 0 HE3 LYS A 18 19.547 -7.504 -6.692 1.00 65.24 H new ATOM 0 HZ1 LYS A 18 21.515 -6.429 -5.698 1.00 21.34 H new ATOM 0 HZ2 LYS A 18 21.497 -6.325 -7.393 1.00 21.34 H new ATOM 0 HZ3 LYS A 18 21.089 -4.969 -6.455 1.00 21.34 H new ATOM 294 N HIS A 19 18.542 -9.911 -11.549 1.00 51.41 N ATOM 295 CA HIS A 19 18.382 -11.362 -11.740 1.00 12.34 C ATOM 296 C HIS A 19 18.479 -11.751 -13.229 1.00 31.33 C ATOM 297 O HIS A 19 17.829 -12.699 -13.681 1.00 20.23 O ATOM 298 CB HIS A 19 17.037 -11.811 -11.151 1.00 4.14 C ATOM 299 CG HIS A 19 16.948 -11.641 -9.660 1.00 21.30 C ATOM 300 ND1 HIS A 19 16.932 -12.702 -8.779 1.00 5.01 N ATOM 301 CD2 HIS A 19 16.867 -10.526 -8.891 1.00 31.24 C ATOM 302 CE1 HIS A 19 16.849 -12.250 -7.545 1.00 51.12 C ATOM 303 NE2 HIS A 19 16.808 -10.937 -7.584 1.00 41.44 N ATOM 0 H HIS A 19 17.766 -9.355 -11.908 1.00 51.41 H new ATOM 0 HA HIS A 19 19.194 -11.870 -11.219 1.00 12.34 H new ATOM 0 HB2 HIS A 19 16.235 -11.242 -11.622 1.00 4.14 H new ATOM 0 HB3 HIS A 19 16.873 -12.859 -11.400 1.00 4.14 H new ATOM 0 HD2 HIS A 19 16.852 -9.505 -9.243 1.00 31.24 H new ATOM 0 HE1 HIS A 19 16.820 -12.856 -6.652 1.00 51.12 H new ATOM 0 HE2 HIS A 19 16.743 -10.322 -6.773 1.00 41.44 H new ATOM 312 N ASP A 20 19.290 -11.000 -13.982 1.00 31.13 N ATOM 313 CA ASP A 20 19.571 -11.286 -15.402 1.00 10.35 C ATOM 314 C ASP A 20 18.320 -11.158 -16.307 1.00 63.12 C ATOM 315 O ASP A 20 18.388 -11.387 -17.516 1.00 61.11 O ATOM 316 CB ASP A 20 20.206 -12.681 -15.535 1.00 32.01 C ATOM 317 CG ASP A 20 20.743 -12.957 -16.929 1.00 44.35 C ATOM 318 OD1 ASP A 20 21.655 -12.228 -17.370 1.00 52.34 O ATOM 319 OD2 ASP A 20 20.259 -13.898 -17.591 1.00 32.23 O ATOM 0 H ASP A 20 19.773 -10.174 -13.628 1.00 31.13 H new ATOM 0 HA ASP A 20 20.273 -10.530 -15.752 1.00 10.35 H new ATOM 0 HB2 ASP A 20 21.018 -12.775 -14.814 1.00 32.01 H new ATOM 0 HB3 ASP A 20 19.464 -13.438 -15.281 1.00 32.01 H new ATOM 324 N ASN A 21 17.187 -10.763 -15.729 1.00 75.11 N ATOM 325 CA ASN A 21 15.946 -10.594 -16.495 1.00 4.23 C ATOM 326 C ASN A 21 15.923 -9.241 -17.227 1.00 1.22 C ATOM 327 O ASN A 21 15.065 -8.391 -16.968 1.00 13.23 O ATOM 328 CB ASN A 21 14.733 -10.703 -15.564 1.00 11.22 C ATOM 329 CG ASN A 21 14.565 -12.079 -14.955 1.00 74.00 C ATOM 330 OD1 ASN A 21 14.164 -12.208 -13.803 1.00 34.12 O ATOM 331 ND2 ASN A 21 14.826 -13.114 -15.727 1.00 52.21 N ATOM 0 H ASN A 21 17.099 -10.553 -14.735 1.00 75.11 H new ATOM 0 HA ASN A 21 15.901 -11.387 -17.242 1.00 4.23 H new ATOM 0 HB2 ASN A 21 14.831 -9.969 -14.764 1.00 11.22 H new ATOM 0 HB3 ASN A 21 13.832 -10.448 -16.122 1.00 11.22 H new ATOM 0 HD21 ASN A 21 14.696 -14.061 -15.371 1.00 52.21 H new ATOM 0 HD22 ASN A 21 15.158 -12.968 -16.680 1.00 52.21 H new ATOM 338 N ALA A 22 16.869 -9.049 -18.143 1.00 33.34 N ATOM 339 CA ALA A 22 16.981 -7.795 -18.895 1.00 70.51 C ATOM 340 C ALA A 22 15.765 -7.570 -19.805 1.00 74.31 C ATOM 341 O ALA A 22 15.206 -6.476 -19.844 1.00 31.14 O ATOM 342 CB ALA A 22 18.270 -7.782 -19.712 1.00 45.35 C ATOM 0 H ALA A 22 17.573 -9.746 -18.385 1.00 33.34 H new ATOM 0 HA ALA A 22 17.009 -6.977 -18.176 1.00 70.51 H new ATOM 0 HB1 ALA A 22 18.341 -6.846 -20.265 1.00 45.35 H new ATOM 0 HB2 ALA A 22 19.126 -7.874 -19.043 1.00 45.35 H new ATOM 0 HB3 ALA A 22 18.266 -8.618 -20.412 1.00 45.35 H new ATOM 348 N SER A 23 15.356 -8.614 -20.526 1.00 43.22 N ATOM 349 CA SER A 23 14.195 -8.530 -21.430 1.00 23.03 C ATOM 350 C SER A 23 12.896 -8.258 -20.656 1.00 33.42 C ATOM 351 O SER A 23 12.056 -7.465 -21.089 1.00 21.43 O ATOM 352 CB SER A 23 14.051 -9.819 -22.250 1.00 34.34 C ATOM 353 OG SER A 23 15.222 -10.077 -23.008 1.00 43.31 O ATOM 0 H SER A 23 15.807 -9.529 -20.506 1.00 43.22 H new ATOM 0 HA SER A 23 14.371 -7.694 -22.107 1.00 23.03 H new ATOM 0 HB2 SER A 23 13.854 -10.658 -21.582 1.00 34.34 H new ATOM 0 HB3 SER A 23 13.193 -9.735 -22.918 1.00 34.34 H new ATOM 0 HG SER A 23 15.105 -10.904 -23.520 1.00 43.31 H new ATOM 359 N ARG A 24 12.735 -8.920 -19.507 1.00 10.11 N ATOM 360 CA ARG A 24 11.574 -8.686 -18.635 1.00 51.44 C ATOM 361 C ARG A 24 11.518 -7.225 -18.167 1.00 54.01 C ATOM 362 O ARG A 24 10.479 -6.567 -18.267 1.00 22.53 O ATOM 363 CB ARG A 24 11.615 -9.621 -17.416 1.00 55.44 C ATOM 364 CG ARG A 24 11.391 -11.090 -17.755 1.00 30.12 C ATOM 365 CD ARG A 24 10.020 -11.323 -18.385 1.00 13.22 C ATOM 366 NE ARG A 24 9.764 -12.736 -18.637 1.00 11.20 N ATOM 367 CZ ARG A 24 8.859 -13.182 -19.465 1.00 2.10 C ATOM 368 NH1 ARG A 24 8.114 -12.365 -20.137 1.00 42.52 N ATOM 369 NH2 ARG A 24 8.697 -14.453 -19.614 1.00 34.44 N ATOM 0 H ARG A 24 13.389 -9.620 -19.157 1.00 10.11 H new ATOM 0 HA ARG A 24 10.677 -8.898 -19.216 1.00 51.44 H new ATOM 0 HB2 ARG A 24 12.581 -9.516 -16.922 1.00 55.44 H new ATOM 0 HB3 ARG A 24 10.856 -9.303 -16.701 1.00 55.44 H new ATOM 0 HG2 ARG A 24 12.168 -11.428 -18.441 1.00 30.12 H new ATOM 0 HG3 ARG A 24 11.482 -11.690 -16.850 1.00 30.12 H new ATOM 0 HD2 ARG A 24 9.247 -10.927 -17.726 1.00 13.22 H new ATOM 0 HD3 ARG A 24 9.954 -10.770 -19.322 1.00 13.22 H new ATOM 0 HE ARG A 24 10.329 -13.420 -18.134 1.00 11.20 H new ATOM 0 HH11 ARG A 24 8.230 -11.358 -20.023 1.00 42.52 H new ATOM 0 HH12 ARG A 24 7.411 -12.728 -20.781 1.00 42.52 H new ATOM 0 HH21 ARG A 24 9.275 -15.106 -19.086 1.00 34.44 H new ATOM 0 HH22 ARG A 24 7.991 -14.805 -20.260 1.00 34.44 H new ATOM 383 N ALA A 25 12.642 -6.728 -17.655 1.00 31.42 N ATOM 384 CA ALA A 25 12.745 -5.331 -17.224 1.00 54.51 C ATOM 385 C ALA A 25 12.528 -4.369 -18.399 1.00 54.11 C ATOM 386 O ALA A 25 11.893 -3.327 -18.250 1.00 35.12 O ATOM 387 CB ALA A 25 14.098 -5.079 -16.575 1.00 53.02 C ATOM 0 H ALA A 25 13.496 -7.271 -17.527 1.00 31.42 H new ATOM 0 HA ALA A 25 11.961 -5.145 -16.490 1.00 54.51 H new ATOM 0 HB1 ALA A 25 14.162 -4.038 -16.259 1.00 53.02 H new ATOM 0 HB2 ALA A 25 14.212 -5.729 -15.707 1.00 53.02 H new ATOM 0 HB3 ALA A 25 14.891 -5.290 -17.293 1.00 53.02 H new ATOM 393 N LEU A 26 13.048 -4.740 -19.567 1.00 1.21 N ATOM 394 CA LEU A 26 12.885 -3.943 -20.789 1.00 5.04 C ATOM 395 C LEU A 26 11.399 -3.713 -21.103 1.00 63.12 C ATOM 396 O LEU A 26 10.973 -2.583 -21.343 1.00 60.13 O ATOM 397 CB LEU A 26 13.573 -4.646 -21.969 1.00 24.33 C ATOM 398 CG LEU A 26 13.639 -3.838 -23.276 1.00 1.41 C ATOM 399 CD1 LEU A 26 14.452 -2.560 -23.082 1.00 42.03 C ATOM 400 CD2 LEU A 26 14.227 -4.685 -24.403 1.00 64.54 C ATOM 0 H LEU A 26 13.591 -5.594 -19.697 1.00 1.21 H new ATOM 0 HA LEU A 26 13.352 -2.971 -20.629 1.00 5.04 H new ATOM 0 HB2 LEU A 26 14.589 -4.906 -21.672 1.00 24.33 H new ATOM 0 HB3 LEU A 26 13.050 -5.581 -22.167 1.00 24.33 H new ATOM 0 HG LEU A 26 12.623 -3.556 -23.554 1.00 1.41 H new ATOM 0 HD11 LEU A 26 14.485 -2.004 -24.019 1.00 42.03 H new ATOM 0 HD12 LEU A 26 13.986 -1.945 -22.312 1.00 42.03 H new ATOM 0 HD13 LEU A 26 15.466 -2.817 -22.776 1.00 42.03 H new ATOM 0 HD21 LEU A 26 14.265 -4.096 -25.319 1.00 64.54 H new ATOM 0 HD22 LEU A 26 15.234 -5.001 -24.133 1.00 64.54 H new ATOM 0 HD23 LEU A 26 13.601 -5.563 -24.563 1.00 64.54 H new ATOM 412 N ALA A 27 10.617 -4.794 -21.084 1.00 21.15 N ATOM 413 CA ALA A 27 9.166 -4.712 -21.291 1.00 51.13 C ATOM 414 C ALA A 27 8.498 -3.800 -20.248 1.00 2.33 C ATOM 415 O ALA A 27 7.579 -3.042 -20.564 1.00 64.43 O ATOM 416 CB ALA A 27 8.554 -6.109 -21.241 1.00 0.43 C ATOM 0 H ALA A 27 10.964 -5.740 -20.927 1.00 21.15 H new ATOM 0 HA ALA A 27 8.989 -4.275 -22.274 1.00 51.13 H new ATOM 0 HB1 ALA A 27 7.477 -6.040 -21.395 1.00 0.43 H new ATOM 0 HB2 ALA A 27 8.994 -6.727 -22.024 1.00 0.43 H new ATOM 0 HB3 ALA A 27 8.753 -6.559 -20.268 1.00 0.43 H new ATOM 422 N LEU A 28 8.974 -3.879 -19.005 1.00 33.21 N ATOM 423 CA LEU A 28 8.458 -3.039 -17.919 1.00 12.13 C ATOM 424 C LEU A 28 8.766 -1.551 -18.162 1.00 61.14 C ATOM 425 O LEU A 28 7.869 -0.715 -18.103 1.00 40.03 O ATOM 426 CB LEU A 28 9.035 -3.495 -16.569 1.00 11.34 C ATOM 427 CG LEU A 28 8.585 -4.893 -16.108 1.00 65.41 C ATOM 428 CD1 LEU A 28 9.287 -5.295 -14.815 1.00 32.03 C ATOM 429 CD2 LEU A 28 7.069 -4.938 -15.930 1.00 62.44 C ATOM 0 H LEU A 28 9.718 -4.517 -18.723 1.00 33.21 H new ATOM 0 HA LEU A 28 7.374 -3.153 -17.895 1.00 12.13 H new ATOM 0 HB2 LEU A 28 10.123 -3.483 -16.633 1.00 11.34 H new ATOM 0 HB3 LEU A 28 8.753 -2.769 -15.806 1.00 11.34 H new ATOM 0 HG LEU A 28 8.864 -5.609 -16.881 1.00 65.41 H new ATOM 0 HD11 LEU A 28 8.951 -6.287 -14.512 1.00 32.03 H new ATOM 0 HD12 LEU A 28 10.365 -5.311 -14.976 1.00 32.03 H new ATOM 0 HD13 LEU A 28 9.048 -4.575 -14.032 1.00 32.03 H new ATOM 0 HD21 LEU A 28 6.770 -5.934 -15.604 1.00 62.44 H new ATOM 0 HD22 LEU A 28 6.769 -4.206 -15.181 1.00 62.44 H new ATOM 0 HD23 LEU A 28 6.584 -4.706 -16.878 1.00 62.44 H new ATOM 441 N PHE A 29 10.030 -1.223 -18.447 1.00 53.12 N ATOM 442 CA PHE A 29 10.414 0.162 -18.753 1.00 3.21 C ATOM 443 C PHE A 29 9.648 0.700 -19.977 1.00 41.41 C ATOM 444 O PHE A 29 9.151 1.827 -19.962 1.00 50.31 O ATOM 445 CB PHE A 29 11.927 0.274 -18.993 1.00 2.22 C ATOM 446 CG PHE A 29 12.779 0.134 -17.752 1.00 13.34 C ATOM 447 CD1 PHE A 29 12.726 1.091 -16.746 1.00 13.15 C ATOM 448 CD2 PHE A 29 13.642 -0.943 -17.598 1.00 53.45 C ATOM 449 CE1 PHE A 29 13.513 0.975 -15.616 1.00 43.11 C ATOM 450 CE2 PHE A 29 14.433 -1.061 -16.470 1.00 71.52 C ATOM 451 CZ PHE A 29 14.367 -0.101 -15.478 1.00 51.04 C ATOM 0 H PHE A 29 10.801 -1.891 -18.473 1.00 53.12 H new ATOM 0 HA PHE A 29 10.150 0.769 -17.887 1.00 3.21 H new ATOM 0 HB2 PHE A 29 12.225 -0.492 -19.709 1.00 2.22 H new ATOM 0 HB3 PHE A 29 12.137 1.239 -19.454 1.00 2.22 H new ATOM 0 HD1 PHE A 29 12.061 1.936 -16.848 1.00 13.15 H new ATOM 0 HD2 PHE A 29 13.696 -1.698 -18.369 1.00 53.45 H new ATOM 0 HE1 PHE A 29 13.460 1.726 -14.841 1.00 43.11 H new ATOM 0 HE2 PHE A 29 15.102 -1.902 -16.364 1.00 71.52 H new ATOM 0 HZ PHE A 29 14.983 -0.192 -14.596 1.00 51.04 H new ATOM 461 N GLU A 30 9.554 -0.107 -21.034 1.00 43.24 N ATOM 462 CA GLU A 30 8.766 0.265 -22.218 1.00 55.31 C ATOM 463 C GLU A 30 7.287 0.479 -21.856 1.00 74.24 C ATOM 464 O GLU A 30 6.622 1.363 -22.402 1.00 45.31 O ATOM 465 CB GLU A 30 8.890 -0.803 -23.314 1.00 13.20 C ATOM 466 CG GLU A 30 10.260 -0.850 -23.986 1.00 21.03 C ATOM 467 CD GLU A 30 10.326 -1.857 -25.126 1.00 11.13 C ATOM 468 OE1 GLU A 30 9.335 -1.978 -25.878 1.00 63.54 O ATOM 469 OE2 GLU A 30 11.373 -2.516 -25.293 1.00 41.23 O ATOM 0 H GLU A 30 10.009 -1.018 -21.099 1.00 43.24 H new ATOM 0 HA GLU A 30 9.167 1.205 -22.598 1.00 55.31 H new ATOM 0 HB2 GLU A 30 8.676 -1.780 -22.880 1.00 13.20 H new ATOM 0 HB3 GLU A 30 8.131 -0.618 -24.074 1.00 13.20 H new ATOM 0 HG2 GLU A 30 10.506 0.141 -24.368 1.00 21.03 H new ATOM 0 HG3 GLU A 30 11.016 -1.101 -23.242 1.00 21.03 H new ATOM 476 N GLU A 31 6.780 -0.332 -20.927 1.00 63.03 N ATOM 477 CA GLU A 31 5.414 -0.169 -20.422 1.00 2.22 C ATOM 478 C GLU A 31 5.282 1.147 -19.641 1.00 43.24 C ATOM 479 O GLU A 31 4.279 1.849 -19.747 1.00 1.23 O ATOM 480 CB GLU A 31 5.024 -1.353 -19.527 1.00 34.52 C ATOM 481 CG GLU A 31 3.575 -1.317 -19.052 1.00 43.12 C ATOM 482 CD GLU A 31 3.225 -2.471 -18.124 1.00 73.31 C ATOM 483 OE1 GLU A 31 2.816 -3.541 -18.617 1.00 0.31 O ATOM 484 OE2 GLU A 31 3.348 -2.309 -16.895 1.00 1.45 O ATOM 0 H GLU A 31 7.293 -1.108 -20.509 1.00 63.03 H new ATOM 0 HA GLU A 31 4.737 -0.139 -21.276 1.00 2.22 H new ATOM 0 HB2 GLU A 31 5.194 -2.281 -20.074 1.00 34.52 H new ATOM 0 HB3 GLU A 31 5.681 -1.370 -18.657 1.00 34.52 H new ATOM 0 HG2 GLU A 31 3.391 -0.375 -18.536 1.00 43.12 H new ATOM 0 HG3 GLU A 31 2.914 -1.341 -19.918 1.00 43.12 H new ATOM 491 N LEU A 32 6.316 1.484 -18.871 1.00 52.44 N ATOM 492 CA LEU A 32 6.343 2.739 -18.109 1.00 13.12 C ATOM 493 C LEU A 32 6.197 3.958 -19.031 1.00 54.44 C ATOM 494 O LEU A 32 5.596 4.955 -18.658 1.00 74.22 O ATOM 495 CB LEU A 32 7.644 2.852 -17.305 1.00 25.22 C ATOM 496 CG LEU A 32 7.868 1.758 -16.251 1.00 1.34 C ATOM 497 CD1 LEU A 32 9.200 1.958 -15.532 1.00 63.33 C ATOM 498 CD2 LEU A 32 6.714 1.731 -15.255 1.00 31.21 C ATOM 0 H LEU A 32 7.149 0.907 -18.756 1.00 52.44 H new ATOM 0 HA LEU A 32 5.496 2.724 -17.423 1.00 13.12 H new ATOM 0 HB2 LEU A 32 8.483 2.839 -18.001 1.00 25.22 H new ATOM 0 HB3 LEU A 32 7.659 3.821 -16.806 1.00 25.22 H new ATOM 0 HG LEU A 32 7.903 0.795 -16.761 1.00 1.34 H new ATOM 0 HD11 LEU A 32 9.335 1.170 -14.791 1.00 63.33 H new ATOM 0 HD12 LEU A 32 10.014 1.918 -16.256 1.00 63.33 H new ATOM 0 HD13 LEU A 32 9.203 2.928 -15.035 1.00 63.33 H new ATOM 0 HD21 LEU A 32 6.890 0.950 -14.516 1.00 31.21 H new ATOM 0 HD22 LEU A 32 6.644 2.696 -14.753 1.00 31.21 H new ATOM 0 HD23 LEU A 32 5.782 1.528 -15.783 1.00 31.21 H new ATOM 510 N VAL A 33 6.756 3.872 -20.232 1.00 72.14 N ATOM 511 CA VAL A 33 6.640 4.958 -21.213 1.00 50.03 C ATOM 512 C VAL A 33 5.176 5.197 -21.625 1.00 33.01 C ATOM 513 O VAL A 33 4.726 6.339 -21.733 1.00 32.52 O ATOM 514 CB VAL A 33 7.484 4.666 -22.481 1.00 62.23 C ATOM 515 CG1 VAL A 33 7.350 5.797 -23.504 1.00 64.11 C ATOM 516 CG2 VAL A 33 8.949 4.444 -22.110 1.00 44.13 C ATOM 0 H VAL A 33 7.293 3.067 -20.555 1.00 72.14 H new ATOM 0 HA VAL A 33 7.021 5.857 -20.728 1.00 50.03 H new ATOM 0 HB VAL A 33 7.102 3.754 -22.939 1.00 62.23 H new ATOM 0 HG11 VAL A 33 7.952 5.566 -24.383 1.00 64.11 H new ATOM 0 HG12 VAL A 33 6.305 5.901 -23.797 1.00 64.11 H new ATOM 0 HG13 VAL A 33 7.697 6.731 -23.062 1.00 64.11 H new ATOM 0 HG21 VAL A 33 9.526 4.240 -23.012 1.00 44.13 H new ATOM 0 HG22 VAL A 33 9.340 5.337 -21.623 1.00 44.13 H new ATOM 0 HG23 VAL A 33 9.028 3.596 -21.430 1.00 44.13 H new ATOM 526 N GLU A 34 4.440 4.116 -21.867 1.00 24.11 N ATOM 527 CA GLU A 34 3.040 4.214 -22.304 1.00 52.22 C ATOM 528 C GLU A 34 2.058 4.424 -21.130 1.00 40.10 C ATOM 529 O GLU A 34 1.018 5.062 -21.296 1.00 22.31 O ATOM 530 CB GLU A 34 2.656 2.977 -23.134 1.00 33.11 C ATOM 531 CG GLU A 34 2.965 1.645 -22.459 1.00 63.23 C ATOM 532 CD GLU A 34 2.843 0.460 -23.408 1.00 2.21 C ATOM 533 OE1 GLU A 34 3.701 0.323 -24.303 1.00 60.44 O ATOM 534 OE2 GLU A 34 1.891 -0.333 -23.272 1.00 32.44 O ATOM 0 H GLU A 34 4.784 3.161 -21.770 1.00 24.11 H new ATOM 0 HA GLU A 34 2.959 5.103 -22.930 1.00 52.22 H new ATOM 0 HB2 GLU A 34 1.590 3.020 -23.355 1.00 33.11 H new ATOM 0 HB3 GLU A 34 3.181 3.017 -24.088 1.00 33.11 H new ATOM 0 HG2 GLU A 34 3.975 1.675 -22.051 1.00 63.23 H new ATOM 0 HG3 GLU A 34 2.286 1.503 -21.618 1.00 63.23 H new ATOM 541 N THR A 35 2.379 3.890 -19.949 1.00 73.11 N ATOM 542 CA THR A 35 1.506 4.039 -18.766 1.00 63.14 C ATOM 543 C THR A 35 1.847 5.295 -17.951 1.00 24.53 C ATOM 544 O THR A 35 0.955 6.006 -17.483 1.00 3.32 O ATOM 545 CB THR A 35 1.588 2.811 -17.827 1.00 54.45 C ATOM 546 OG1 THR A 35 2.929 2.653 -17.324 1.00 41.23 O ATOM 547 CG2 THR A 35 1.157 1.539 -18.553 1.00 1.35 C ATOM 0 H THR A 35 3.229 3.353 -19.780 1.00 73.11 H new ATOM 0 HA THR A 35 0.494 4.128 -19.160 1.00 63.14 H new ATOM 0 HB THR A 35 0.909 2.982 -16.991 1.00 54.45 H new ATOM 0 HG1 THR A 35 3.042 3.197 -16.517 1.00 41.23 H new ATOM 0 HG21 THR A 35 1.224 0.691 -17.872 1.00 1.35 H new ATOM 0 HG22 THR A 35 0.129 1.648 -18.898 1.00 1.35 H new ATOM 0 HG23 THR A 35 1.811 1.369 -19.409 1.00 1.35 H new ATOM 555 N ASP A 36 3.142 5.564 -17.789 1.00 11.31 N ATOM 556 CA ASP A 36 3.623 6.726 -17.023 1.00 1.15 C ATOM 557 C ASP A 36 4.570 7.613 -17.866 1.00 75.32 C ATOM 558 O ASP A 36 5.767 7.714 -17.577 1.00 31.45 O ATOM 559 CB ASP A 36 4.336 6.252 -15.747 1.00 42.52 C ATOM 560 CG ASP A 36 3.415 5.464 -14.832 1.00 42.42 C ATOM 561 OD1 ASP A 36 2.708 6.097 -14.019 1.00 11.51 O ATOM 562 OD2 ASP A 36 3.392 4.214 -14.926 1.00 52.21 O ATOM 0 H ASP A 36 3.888 4.989 -18.181 1.00 11.31 H new ATOM 0 HA ASP A 36 2.758 7.331 -16.752 1.00 1.15 H new ATOM 0 HB2 ASP A 36 5.191 5.633 -16.020 1.00 42.52 H new ATOM 0 HB3 ASP A 36 4.727 7.116 -15.209 1.00 42.52 H new ATOM 567 N PRO A 37 4.041 8.295 -18.906 1.00 31.43 N ATOM 568 CA PRO A 37 4.867 9.081 -19.851 1.00 51.43 C ATOM 569 C PRO A 37 5.561 10.296 -19.207 1.00 73.14 C ATOM 570 O PRO A 37 6.504 10.856 -19.772 1.00 53.21 O ATOM 571 CB PRO A 37 3.856 9.547 -20.919 1.00 1.21 C ATOM 572 CG PRO A 37 2.645 8.693 -20.718 1.00 63.01 C ATOM 573 CD PRO A 37 2.612 8.366 -19.251 1.00 42.15 C ATOM 0 HA PRO A 37 5.687 8.479 -20.242 1.00 51.43 H new ATOM 0 HB2 PRO A 37 3.616 10.603 -20.799 1.00 1.21 H new ATOM 0 HB3 PRO A 37 4.261 9.424 -21.924 1.00 1.21 H new ATOM 0 HG2 PRO A 37 1.740 9.220 -21.021 1.00 63.01 H new ATOM 0 HG3 PRO A 37 2.702 7.786 -21.319 1.00 63.01 H new ATOM 0 HD2 PRO A 37 2.094 9.134 -18.676 1.00 42.15 H new ATOM 0 HD3 PRO A 37 2.101 7.423 -19.057 1.00 42.15 H new ATOM 581 N ASP A 38 5.094 10.698 -18.026 1.00 25.23 N ATOM 582 CA ASP A 38 5.630 11.879 -17.337 1.00 60.10 C ATOM 583 C ASP A 38 6.831 11.528 -16.443 1.00 51.50 C ATOM 584 O ASP A 38 7.574 12.411 -16.009 1.00 74.31 O ATOM 585 CB ASP A 38 4.531 12.525 -16.492 1.00 72.04 C ATOM 586 CG ASP A 38 3.245 12.720 -17.271 1.00 34.12 C ATOM 587 OD1 ASP A 38 3.226 13.545 -18.204 1.00 2.54 O ATOM 588 OD2 ASP A 38 2.242 12.040 -16.955 1.00 3.41 O ATOM 0 H ASP A 38 4.344 10.224 -17.522 1.00 25.23 H new ATOM 0 HA ASP A 38 5.977 12.578 -18.098 1.00 60.10 H new ATOM 0 HB2 ASP A 38 4.334 11.902 -15.619 1.00 72.04 H new ATOM 0 HB3 ASP A 38 4.879 13.490 -16.123 1.00 72.04 H new ATOM 593 N TYR A 39 7.013 10.239 -16.167 1.00 55.45 N ATOM 594 CA TYR A 39 8.094 9.782 -15.290 1.00 42.54 C ATOM 595 C TYR A 39 9.430 9.710 -16.056 1.00 72.31 C ATOM 596 O TYR A 39 9.750 8.701 -16.691 1.00 54.52 O ATOM 597 CB TYR A 39 7.729 8.418 -14.684 1.00 3.45 C ATOM 598 CG TYR A 39 8.685 7.937 -13.604 1.00 22.12 C ATOM 599 CD1 TYR A 39 8.987 8.735 -12.503 1.00 35.53 C ATOM 600 CD2 TYR A 39 9.274 6.680 -13.678 1.00 50.12 C ATOM 601 CE1 TYR A 39 9.849 8.293 -11.516 1.00 63.30 C ATOM 602 CE2 TYR A 39 10.134 6.235 -12.696 1.00 65.01 C ATOM 603 CZ TYR A 39 10.419 7.043 -11.618 1.00 5.24 C ATOM 604 OH TYR A 39 11.281 6.598 -10.641 1.00 35.32 O ATOM 0 H TYR A 39 6.427 9.490 -16.537 1.00 55.45 H new ATOM 0 HA TYR A 39 8.220 10.501 -14.480 1.00 42.54 H new ATOM 0 HB2 TYR A 39 6.725 8.477 -14.264 1.00 3.45 H new ATOM 0 HB3 TYR A 39 7.698 7.676 -15.482 1.00 3.45 H new ATOM 0 HD1 TYR A 39 8.541 9.715 -12.419 1.00 35.53 H new ATOM 0 HD2 TYR A 39 9.054 6.040 -14.520 1.00 50.12 H new ATOM 0 HE1 TYR A 39 10.074 8.925 -10.669 1.00 63.30 H new ATOM 0 HE2 TYR A 39 10.583 5.256 -12.772 1.00 65.01 H new ATOM 0 HH TYR A 39 11.455 5.642 -10.769 1.00 35.32 H new ATOM 614 N VAL A 40 10.204 10.795 -15.989 1.00 1.15 N ATOM 615 CA VAL A 40 11.444 10.930 -16.768 1.00 31.22 C ATOM 616 C VAL A 40 12.475 9.832 -16.437 1.00 41.11 C ATOM 617 O VAL A 40 13.165 9.330 -17.332 1.00 33.42 O ATOM 618 CB VAL A 40 12.094 12.320 -16.552 1.00 42.54 C ATOM 619 CG1 VAL A 40 13.336 12.485 -17.428 1.00 41.52 C ATOM 620 CG2 VAL A 40 11.084 13.436 -16.822 1.00 33.44 C ATOM 0 H VAL A 40 9.995 11.601 -15.399 1.00 1.15 H new ATOM 0 HA VAL A 40 11.154 10.820 -17.813 1.00 31.22 H new ATOM 0 HB VAL A 40 12.407 12.389 -15.510 1.00 42.54 H new ATOM 0 HG11 VAL A 40 13.773 13.469 -17.258 1.00 41.52 H new ATOM 0 HG12 VAL A 40 14.065 11.715 -17.175 1.00 41.52 H new ATOM 0 HG13 VAL A 40 13.057 12.389 -18.477 1.00 41.52 H new ATOM 0 HG21 VAL A 40 11.560 14.404 -16.665 1.00 33.44 H new ATOM 0 HG22 VAL A 40 10.733 13.368 -17.852 1.00 33.44 H new ATOM 0 HG23 VAL A 40 10.238 13.333 -16.142 1.00 33.44 H new ATOM 630 N GLY A 41 12.572 9.464 -15.155 1.00 74.21 N ATOM 631 CA GLY A 41 13.513 8.424 -14.726 1.00 65.04 C ATOM 632 C GLY A 41 13.461 7.155 -15.580 1.00 64.34 C ATOM 633 O GLY A 41 14.486 6.498 -15.797 1.00 63.14 O ATOM 0 H GLY A 41 12.015 9.867 -14.402 1.00 74.21 H new ATOM 0 HA2 GLY A 41 14.525 8.828 -14.754 1.00 65.04 H new ATOM 0 HA3 GLY A 41 13.303 8.162 -13.689 1.00 65.04 H new ATOM 637 N THR A 42 12.269 6.816 -16.071 1.00 71.54 N ATOM 638 CA THR A 42 12.092 5.660 -16.962 1.00 12.55 C ATOM 639 C THR A 42 12.969 5.768 -18.214 1.00 25.21 C ATOM 640 O THR A 42 13.786 4.892 -18.486 1.00 54.43 O ATOM 641 CB THR A 42 10.619 5.509 -17.417 1.00 65.14 C ATOM 642 OG1 THR A 42 9.780 5.235 -16.288 1.00 33.24 O ATOM 643 CG2 THR A 42 10.473 4.394 -18.452 1.00 51.15 C ATOM 0 H THR A 42 11.408 7.324 -15.869 1.00 71.54 H new ATOM 0 HA THR A 42 12.389 4.787 -16.381 1.00 12.55 H new ATOM 0 HB THR A 42 10.311 6.448 -17.878 1.00 65.14 H new ATOM 0 HG1 THR A 42 10.190 5.605 -15.478 1.00 33.24 H new ATOM 0 HG21 THR A 42 9.429 4.311 -18.753 1.00 51.15 H new ATOM 0 HG22 THR A 42 11.085 4.625 -19.324 1.00 51.15 H new ATOM 0 HG23 THR A 42 10.802 3.450 -18.018 1.00 51.15 H new ATOM 651 N TYR A 43 12.801 6.861 -18.956 1.00 64.13 N ATOM 652 CA TYR A 43 13.475 7.050 -20.249 1.00 61.15 C ATOM 653 C TYR A 43 14.996 6.881 -20.143 1.00 30.43 C ATOM 654 O TYR A 43 15.612 6.187 -20.954 1.00 0.41 O ATOM 655 CB TYR A 43 13.146 8.439 -20.809 1.00 43.54 C ATOM 656 CG TYR A 43 11.668 8.658 -21.073 1.00 24.23 C ATOM 657 CD1 TYR A 43 11.114 8.344 -22.307 1.00 61.32 C ATOM 658 CD2 TYR A 43 10.830 9.181 -20.092 1.00 51.02 C ATOM 659 CE1 TYR A 43 9.772 8.547 -22.558 1.00 52.03 C ATOM 660 CE2 TYR A 43 9.485 9.385 -20.336 1.00 14.24 C ATOM 661 CZ TYR A 43 8.961 9.068 -21.570 1.00 45.41 C ATOM 662 OH TYR A 43 7.624 9.275 -21.823 1.00 43.34 O ATOM 0 H TYR A 43 12.199 7.638 -18.685 1.00 64.13 H new ATOM 0 HA TYR A 43 13.106 6.278 -20.924 1.00 61.15 H new ATOM 0 HB2 TYR A 43 13.496 9.196 -20.107 1.00 43.54 H new ATOM 0 HB3 TYR A 43 13.697 8.586 -21.738 1.00 43.54 H new ATOM 0 HD1 TYR A 43 11.743 7.934 -23.083 1.00 61.32 H new ATOM 0 HD2 TYR A 43 11.238 9.432 -19.124 1.00 51.02 H new ATOM 0 HE1 TYR A 43 9.358 8.299 -23.524 1.00 52.03 H new ATOM 0 HE2 TYR A 43 8.848 9.791 -19.564 1.00 14.24 H new ATOM 0 HH TYR A 43 7.236 9.819 -21.106 1.00 43.34 H new ATOM 672 N TYR A 44 15.595 7.511 -19.137 1.00 54.15 N ATOM 673 CA TYR A 44 17.048 7.456 -18.951 1.00 33.43 C ATOM 674 C TYR A 44 17.540 6.009 -18.779 1.00 44.24 C ATOM 675 O TYR A 44 18.372 5.527 -19.550 1.00 14.30 O ATOM 676 CB TYR A 44 17.462 8.306 -17.740 1.00 5.43 C ATOM 677 CG TYR A 44 18.965 8.354 -17.512 1.00 62.24 C ATOM 678 CD1 TYR A 44 19.769 9.243 -18.222 1.00 61.53 C ATOM 679 CD2 TYR A 44 19.580 7.506 -16.595 1.00 64.15 C ATOM 680 CE1 TYR A 44 21.137 9.283 -18.024 1.00 4.13 C ATOM 681 CE2 TYR A 44 20.947 7.543 -16.392 1.00 4.15 C ATOM 682 CZ TYR A 44 21.720 8.432 -17.109 1.00 50.44 C ATOM 683 OH TYR A 44 23.085 8.461 -16.916 1.00 51.21 O ATOM 0 H TYR A 44 15.101 8.065 -18.437 1.00 54.15 H new ATOM 0 HA TYR A 44 17.514 7.862 -19.848 1.00 33.43 H new ATOM 0 HB2 TYR A 44 17.092 9.322 -17.877 1.00 5.43 H new ATOM 0 HB3 TYR A 44 16.980 7.909 -16.847 1.00 5.43 H new ATOM 0 HD1 TYR A 44 19.316 9.912 -18.939 1.00 61.53 H new ATOM 0 HD2 TYR A 44 18.979 6.807 -16.032 1.00 64.15 H new ATOM 0 HE1 TYR A 44 21.746 9.978 -18.583 1.00 4.13 H new ATOM 0 HE2 TYR A 44 21.407 6.879 -15.675 1.00 4.15 H new ATOM 0 HH TYR A 44 23.333 7.800 -16.237 1.00 51.21 H new ATOM 693 N HIS A 45 17.009 5.312 -17.774 1.00 1.34 N ATOM 694 CA HIS A 45 17.464 3.950 -17.460 1.00 11.34 C ATOM 695 C HIS A 45 17.031 2.938 -18.536 1.00 23.54 C ATOM 696 O HIS A 45 17.724 1.949 -18.774 1.00 42.30 O ATOM 697 CB HIS A 45 16.961 3.523 -16.075 1.00 1.23 C ATOM 698 CG HIS A 45 17.502 4.376 -14.962 1.00 61.23 C ATOM 699 ND1 HIS A 45 18.652 4.070 -14.259 1.00 63.10 N ATOM 700 CD2 HIS A 45 17.045 5.535 -14.428 1.00 44.13 C ATOM 701 CE1 HIS A 45 18.871 4.999 -13.347 1.00 44.04 C ATOM 702 NE2 HIS A 45 17.914 5.894 -13.431 1.00 42.23 N ATOM 0 H HIS A 45 16.269 5.661 -17.165 1.00 1.34 H new ATOM 0 HA HIS A 45 18.554 3.961 -17.448 1.00 11.34 H new ATOM 0 HB2 HIS A 45 15.872 3.566 -16.061 1.00 1.23 H new ATOM 0 HB3 HIS A 45 17.241 2.485 -15.898 1.00 1.23 H new ATOM 0 HD2 HIS A 45 16.160 6.075 -14.732 1.00 44.13 H new ATOM 0 HE1 HIS A 45 19.696 5.019 -12.651 1.00 44.04 H new ATOM 0 HE2 HIS A 45 17.830 6.726 -12.846 1.00 42.23 H new ATOM 711 N LEU A 46 15.894 3.194 -19.185 1.00 64.15 N ATOM 712 CA LEU A 46 15.440 2.364 -20.312 1.00 63.30 C ATOM 713 C LEU A 46 16.447 2.426 -21.470 1.00 62.20 C ATOM 714 O LEU A 46 16.812 1.400 -22.050 1.00 23.30 O ATOM 715 CB LEU A 46 14.050 2.824 -20.785 1.00 45.24 C ATOM 716 CG LEU A 46 13.528 2.179 -22.086 1.00 73.24 C ATOM 717 CD1 LEU A 46 13.520 0.657 -21.989 1.00 35.03 C ATOM 718 CD2 LEU A 46 12.132 2.702 -22.418 1.00 33.12 C ATOM 0 H LEU A 46 15.269 3.966 -18.954 1.00 64.15 H new ATOM 0 HA LEU A 46 15.370 1.330 -19.974 1.00 63.30 H new ATOM 0 HB2 LEU A 46 13.333 2.621 -19.990 1.00 45.24 H new ATOM 0 HB3 LEU A 46 14.075 3.905 -20.924 1.00 45.24 H new ATOM 0 HG LEU A 46 14.207 2.457 -22.892 1.00 73.24 H new ATOM 0 HD11 LEU A 46 13.147 0.235 -22.922 1.00 35.03 H new ATOM 0 HD12 LEU A 46 14.533 0.299 -21.808 1.00 35.03 H new ATOM 0 HD13 LEU A 46 12.874 0.348 -21.167 1.00 35.03 H new ATOM 0 HD21 LEU A 46 11.779 2.237 -23.338 1.00 33.12 H new ATOM 0 HD22 LEU A 46 11.449 2.459 -21.604 1.00 33.12 H new ATOM 0 HD23 LEU A 46 12.170 3.783 -22.549 1.00 33.12 H new ATOM 730 N GLY A 47 16.899 3.636 -21.792 1.00 74.25 N ATOM 731 CA GLY A 47 17.929 3.807 -22.808 1.00 25.23 C ATOM 732 C GLY A 47 19.232 3.099 -22.441 1.00 11.10 C ATOM 733 O GLY A 47 19.839 2.426 -23.275 1.00 40.41 O ATOM 0 H GLY A 47 16.571 4.503 -21.368 1.00 74.25 H new ATOM 0 HA2 GLY A 47 17.564 3.421 -23.760 1.00 25.23 H new ATOM 0 HA3 GLY A 47 18.124 4.870 -22.949 1.00 25.23 H new ATOM 737 N LYS A 48 19.658 3.245 -21.181 1.00 45.23 N ATOM 738 CA LYS A 48 20.857 2.555 -20.685 1.00 31.43 C ATOM 739 C LYS A 48 20.712 1.031 -20.833 1.00 3.41 C ATOM 740 O LYS A 48 21.678 0.328 -21.140 1.00 15.14 O ATOM 741 CB LYS A 48 21.131 2.901 -19.208 1.00 2.42 C ATOM 742 CG LYS A 48 21.194 4.396 -18.890 1.00 4.24 C ATOM 743 CD LYS A 48 22.243 5.162 -19.704 1.00 0.40 C ATOM 744 CE LYS A 48 23.670 4.666 -19.467 1.00 32.11 C ATOM 745 NZ LYS A 48 23.990 3.458 -20.277 1.00 4.52 N ATOM 0 H LYS A 48 19.193 3.832 -20.488 1.00 45.23 H new ATOM 0 HA LYS A 48 21.699 2.896 -21.288 1.00 31.43 H new ATOM 0 HB2 LYS A 48 20.352 2.448 -18.595 1.00 2.42 H new ATOM 0 HB3 LYS A 48 22.075 2.443 -18.913 1.00 2.42 H new ATOM 0 HG2 LYS A 48 20.214 4.837 -19.072 1.00 4.24 H new ATOM 0 HG3 LYS A 48 21.409 4.523 -17.829 1.00 4.24 H new ATOM 0 HD2 LYS A 48 22.006 5.074 -20.764 1.00 0.40 H new ATOM 0 HD3 LYS A 48 22.187 6.221 -19.452 1.00 0.40 H new ATOM 0 HE2 LYS A 48 24.374 5.461 -19.711 1.00 32.11 H new ATOM 0 HE3 LYS A 48 23.802 4.437 -18.409 1.00 32.11 H new ATOM 0 HZ1 LYS A 48 25.022 3.346 -20.341 1.00 4.52 H new ATOM 0 HZ2 LYS A 48 23.578 2.617 -19.824 1.00 4.52 H new ATOM 0 HZ3 LYS A 48 23.594 3.566 -21.232 1.00 4.52 H new ATOM 759 N LEU A 49 19.497 0.528 -20.606 1.00 24.42 N ATOM 760 CA LEU A 49 19.204 -0.899 -20.780 1.00 15.54 C ATOM 761 C LEU A 49 19.325 -1.310 -22.257 1.00 32.44 C ATOM 762 O LEU A 49 19.856 -2.378 -22.572 1.00 3.42 O ATOM 763 CB LEU A 49 17.803 -1.226 -20.244 1.00 3.22 C ATOM 764 CG LEU A 49 17.367 -2.700 -20.368 1.00 1.04 C ATOM 765 CD1 LEU A 49 18.423 -3.640 -19.788 1.00 73.23 C ATOM 766 CD2 LEU A 49 16.027 -2.916 -19.672 1.00 11.14 C ATOM 0 H LEU A 49 18.699 1.086 -20.301 1.00 24.42 H new ATOM 0 HA LEU A 49 19.938 -1.469 -20.210 1.00 15.54 H new ATOM 0 HB2 LEU A 49 17.761 -0.941 -19.193 1.00 3.22 H new ATOM 0 HB3 LEU A 49 17.078 -0.606 -20.772 1.00 3.22 H new ATOM 0 HG LEU A 49 17.257 -2.930 -21.428 1.00 1.04 H new ATOM 0 HD11 LEU A 49 18.087 -4.672 -19.890 1.00 73.23 H new ATOM 0 HD12 LEU A 49 19.362 -3.509 -20.326 1.00 73.23 H new ATOM 0 HD13 LEU A 49 18.575 -3.410 -18.733 1.00 73.23 H new ATOM 0 HD21 LEU A 49 15.732 -3.961 -19.768 1.00 11.14 H new ATOM 0 HD22 LEU A 49 16.120 -2.660 -18.617 1.00 11.14 H new ATOM 0 HD23 LEU A 49 15.271 -2.281 -20.134 1.00 11.14 H new ATOM 778 N TYR A 50 18.835 -0.461 -23.161 1.00 72.53 N ATOM 779 CA TYR A 50 19.032 -0.682 -24.598 1.00 44.41 C ATOM 780 C TYR A 50 20.526 -0.782 -24.932 1.00 22.51 C ATOM 781 O TYR A 50 20.955 -1.712 -25.613 1.00 23.23 O ATOM 782 CB TYR A 50 18.384 0.435 -25.428 1.00 45.14 C ATOM 783 CG TYR A 50 16.879 0.307 -25.578 1.00 21.14 C ATOM 784 CD1 TYR A 50 16.315 -0.835 -26.141 1.00 35.41 C ATOM 785 CD2 TYR A 50 16.023 1.324 -25.168 1.00 32.20 C ATOM 786 CE1 TYR A 50 14.949 -0.958 -26.291 1.00 20.02 C ATOM 787 CE2 TYR A 50 14.655 1.205 -25.318 1.00 32.42 C ATOM 788 CZ TYR A 50 14.125 0.065 -25.878 1.00 31.11 C ATOM 789 OH TYR A 50 12.766 -0.055 -26.028 1.00 30.31 O ATOM 0 H TYR A 50 18.304 0.378 -22.929 1.00 72.53 H new ATOM 0 HA TYR A 50 18.548 -1.625 -24.854 1.00 44.41 H new ATOM 0 HB2 TYR A 50 18.611 1.395 -24.964 1.00 45.14 H new ATOM 0 HB3 TYR A 50 18.837 0.445 -26.419 1.00 45.14 H new ATOM 0 HD1 TYR A 50 16.959 -1.639 -26.466 1.00 35.41 H new ATOM 0 HD2 TYR A 50 16.434 2.220 -24.726 1.00 32.20 H new ATOM 0 HE1 TYR A 50 14.529 -1.851 -26.730 1.00 20.02 H new ATOM 0 HE2 TYR A 50 14.003 2.004 -24.997 1.00 32.42 H new ATOM 0 HH TYR A 50 12.524 -1.004 -26.068 1.00 30.31 H new ATOM 799 N GLU A 51 21.313 0.176 -24.437 1.00 72.25 N ATOM 800 CA GLU A 51 22.773 0.144 -24.599 1.00 3.44 C ATOM 801 C GLU A 51 23.362 -1.176 -24.076 1.00 2.45 C ATOM 802 O GLU A 51 24.263 -1.753 -24.686 1.00 24.30 O ATOM 803 CB GLU A 51 23.425 1.322 -23.859 1.00 52.23 C ATOM 804 CG GLU A 51 23.038 2.697 -24.397 1.00 63.23 C ATOM 805 CD GLU A 51 23.776 3.823 -23.688 1.00 64.45 C ATOM 806 OE1 GLU A 51 24.971 4.031 -23.978 1.00 62.13 O ATOM 807 OE2 GLU A 51 23.180 4.492 -22.815 1.00 31.03 O ATOM 0 H GLU A 51 20.966 0.984 -23.920 1.00 72.25 H new ATOM 0 HA GLU A 51 22.986 0.224 -25.665 1.00 3.44 H new ATOM 0 HB2 GLU A 51 23.153 1.268 -22.805 1.00 52.23 H new ATOM 0 HB3 GLU A 51 24.508 1.215 -23.915 1.00 52.23 H new ATOM 0 HG2 GLU A 51 23.253 2.741 -25.465 1.00 63.23 H new ATOM 0 HG3 GLU A 51 21.964 2.841 -24.282 1.00 63.23 H new ATOM 814 N ARG A 52 22.842 -1.646 -22.942 1.00 52.14 N ATOM 815 CA ARG A 52 23.267 -2.923 -22.354 1.00 15.10 C ATOM 816 C ARG A 52 22.981 -4.092 -23.313 1.00 70.31 C ATOM 817 O ARG A 52 23.763 -5.038 -23.414 1.00 1.44 O ATOM 818 CB ARG A 52 22.543 -3.151 -21.016 1.00 42.43 C ATOM 819 CG ARG A 52 22.996 -4.400 -20.259 1.00 75.23 C ATOM 820 CD ARG A 52 22.187 -4.615 -18.982 1.00 43.50 C ATOM 821 NE ARG A 52 22.710 -5.719 -18.177 1.00 4.44 N ATOM 822 CZ ARG A 52 21.976 -6.571 -17.516 1.00 4.42 C ATOM 823 NH1 ARG A 52 20.681 -6.516 -17.566 1.00 51.14 N ATOM 824 NH2 ARG A 52 22.552 -7.486 -16.809 1.00 31.23 N ATOM 0 H ARG A 52 22.122 -1.161 -22.407 1.00 52.14 H new ATOM 0 HA ARG A 52 24.342 -2.879 -22.179 1.00 15.10 H new ATOM 0 HB2 ARG A 52 22.697 -2.279 -20.380 1.00 42.43 H new ATOM 0 HB3 ARG A 52 21.472 -3.223 -21.204 1.00 42.43 H new ATOM 0 HG2 ARG A 52 22.895 -5.273 -20.904 1.00 75.23 H new ATOM 0 HG3 ARG A 52 24.053 -4.310 -20.009 1.00 75.23 H new ATOM 0 HD2 ARG A 52 22.195 -3.700 -18.390 1.00 43.50 H new ATOM 0 HD3 ARG A 52 21.148 -4.817 -19.242 1.00 43.50 H new ATOM 0 HE ARG A 52 23.723 -5.831 -18.129 1.00 4.44 H new ATOM 0 HH11 ARG A 52 20.222 -5.799 -18.128 1.00 51.14 H new ATOM 0 HH12 ARG A 52 20.121 -7.190 -17.043 1.00 51.14 H new ATOM 0 HH21 ARG A 52 23.570 -7.537 -16.772 1.00 31.23 H new ATOM 0 HH22 ARG A 52 21.989 -8.158 -16.288 1.00 31.23 H new ATOM 838 N LEU A 53 21.855 -4.007 -24.022 1.00 2.44 N ATOM 839 CA LEU A 53 21.453 -5.042 -24.984 1.00 13.03 C ATOM 840 C LEU A 53 21.936 -4.716 -26.409 1.00 72.33 C ATOM 841 O LEU A 53 21.459 -5.303 -27.381 1.00 45.10 O ATOM 842 CB LEU A 53 19.924 -5.190 -24.972 1.00 43.42 C ATOM 843 CG LEU A 53 19.310 -5.561 -23.611 1.00 30.33 C ATOM 844 CD1 LEU A 53 17.787 -5.634 -23.702 1.00 34.51 C ATOM 845 CD2 LEU A 53 19.889 -6.880 -23.097 1.00 22.12 C ATOM 0 H LEU A 53 21.200 -3.229 -23.950 1.00 2.44 H new ATOM 0 HA LEU A 53 21.920 -5.980 -24.683 1.00 13.03 H new ATOM 0 HB2 LEU A 53 19.482 -4.252 -25.308 1.00 43.42 H new ATOM 0 HB3 LEU A 53 19.644 -5.953 -25.699 1.00 43.42 H new ATOM 0 HG LEU A 53 19.567 -4.777 -22.899 1.00 30.33 H new ATOM 0 HD11 LEU A 53 17.377 -5.898 -22.727 1.00 34.51 H new ATOM 0 HD12 LEU A 53 17.394 -4.665 -24.011 1.00 34.51 H new ATOM 0 HD13 LEU A 53 17.502 -6.391 -24.433 1.00 34.51 H new ATOM 0 HD21 LEU A 53 19.441 -7.123 -22.134 1.00 22.12 H new ATOM 0 HD22 LEU A 53 19.671 -7.675 -23.810 1.00 22.12 H new ATOM 0 HD23 LEU A 53 20.968 -6.783 -22.981 1.00 22.12 H new ATOM 857 N ASP A 54 22.870 -3.767 -26.517 1.00 24.12 N ATOM 858 CA ASP A 54 23.466 -3.374 -27.805 1.00 64.44 C ATOM 859 C ASP A 54 22.431 -2.708 -28.747 1.00 35.32 C ATOM 860 O ASP A 54 22.686 -2.498 -29.934 1.00 33.24 O ATOM 861 CB ASP A 54 24.124 -4.593 -28.475 1.00 10.43 C ATOM 862 CG ASP A 54 24.965 -4.223 -29.686 1.00 45.12 C ATOM 863 OD1 ASP A 54 25.770 -3.271 -29.590 1.00 14.24 O ATOM 864 OD2 ASP A 54 24.827 -4.880 -30.740 1.00 33.11 O ATOM 0 H ASP A 54 23.236 -3.248 -25.719 1.00 24.12 H new ATOM 0 HA ASP A 54 24.233 -2.626 -27.605 1.00 64.44 H new ATOM 0 HB2 ASP A 54 24.752 -5.106 -27.747 1.00 10.43 H new ATOM 0 HB3 ASP A 54 23.349 -5.296 -28.779 1.00 10.43 H new ATOM 869 N ARG A 55 21.270 -2.356 -28.206 1.00 21.53 N ATOM 870 CA ARG A 55 20.235 -1.658 -28.977 1.00 53.02 C ATOM 871 C ARG A 55 20.522 -0.147 -29.025 1.00 33.54 C ATOM 872 O ARG A 55 19.756 0.666 -28.503 1.00 10.23 O ATOM 873 CB ARG A 55 18.851 -1.930 -28.369 1.00 0.23 C ATOM 874 CG ARG A 55 18.472 -3.408 -28.329 1.00 53.34 C ATOM 875 CD ARG A 55 18.468 -4.035 -29.720 1.00 70.03 C ATOM 876 NE ARG A 55 17.594 -3.309 -30.638 1.00 74.32 N ATOM 877 CZ ARG A 55 17.211 -3.751 -31.802 1.00 22.23 C ATOM 878 NH1 ARG A 55 17.572 -4.920 -32.220 1.00 3.21 N ATOM 879 NH2 ARG A 55 16.457 -3.010 -32.545 1.00 31.20 N ATOM 0 H ARG A 55 21.017 -2.541 -27.235 1.00 21.53 H new ATOM 0 HA ARG A 55 20.246 -2.036 -29.999 1.00 53.02 H new ATOM 0 HB2 ARG A 55 18.826 -1.531 -27.355 1.00 0.23 H new ATOM 0 HB3 ARG A 55 18.100 -1.388 -28.943 1.00 0.23 H new ATOM 0 HG2 ARG A 55 19.174 -3.945 -27.691 1.00 53.34 H new ATOM 0 HG3 ARG A 55 17.485 -3.517 -27.879 1.00 53.34 H new ATOM 0 HD2 ARG A 55 19.483 -4.047 -30.117 1.00 70.03 H new ATOM 0 HD3 ARG A 55 18.141 -5.073 -29.650 1.00 70.03 H new ATOM 0 HE ARG A 55 17.260 -2.390 -30.347 1.00 74.32 H new ATOM 0 HH11 ARG A 55 18.165 -5.510 -31.636 1.00 3.21 H new ATOM 0 HH12 ARG A 55 17.264 -5.252 -33.134 1.00 3.21 H new ATOM 0 HH21 ARG A 55 16.167 -2.088 -32.218 1.00 31.20 H new ATOM 0 HH22 ARG A 55 16.152 -3.347 -33.458 1.00 31.20 H new ATOM 893 N THR A 56 21.643 0.208 -29.654 1.00 22.41 N ATOM 894 CA THR A 56 22.126 1.597 -29.702 1.00 1.11 C ATOM 895 C THR A 56 21.073 2.573 -30.254 1.00 21.31 C ATOM 896 O THR A 56 20.771 3.594 -29.631 1.00 60.04 O ATOM 897 CB THR A 56 23.412 1.702 -30.561 1.00 2.35 C ATOM 898 OG1 THR A 56 24.394 0.760 -30.093 1.00 25.14 O ATOM 899 CG2 THR A 56 24.001 3.111 -30.516 1.00 32.20 C ATOM 0 H THR A 56 22.244 -0.454 -30.145 1.00 22.41 H new ATOM 0 HA THR A 56 22.340 1.880 -28.671 1.00 1.11 H new ATOM 0 HB THR A 56 23.142 1.475 -31.592 1.00 2.35 H new ATOM 0 HG1 THR A 56 25.203 0.831 -30.642 1.00 25.14 H new ATOM 0 HG21 THR A 56 24.901 3.149 -31.129 1.00 32.20 H new ATOM 0 HG22 THR A 56 23.271 3.823 -30.900 1.00 32.20 H new ATOM 0 HG23 THR A 56 24.252 3.368 -29.487 1.00 32.20 H new ATOM 907 N ASP A 57 20.506 2.250 -31.415 1.00 42.42 N ATOM 908 CA ASP A 57 19.519 3.123 -32.065 1.00 64.42 C ATOM 909 C ASP A 57 18.251 3.276 -31.204 1.00 32.11 C ATOM 910 O ASP A 57 17.760 4.387 -30.989 1.00 33.30 O ATOM 911 CB ASP A 57 19.170 2.564 -33.449 1.00 72.22 C ATOM 912 CG ASP A 57 18.206 3.454 -34.216 1.00 32.22 C ATOM 913 OD1 ASP A 57 18.648 4.495 -34.747 1.00 33.34 O ATOM 914 OD2 ASP A 57 17.010 3.110 -34.302 1.00 10.52 O ATOM 0 H ASP A 57 20.710 1.392 -31.928 1.00 42.42 H new ATOM 0 HA ASP A 57 19.957 4.115 -32.179 1.00 64.42 H new ATOM 0 HB2 ASP A 57 20.085 2.443 -34.028 1.00 72.22 H new ATOM 0 HB3 ASP A 57 18.731 1.573 -33.336 1.00 72.22 H new ATOM 919 N ASP A 58 17.740 2.151 -30.707 1.00 42.24 N ATOM 920 CA ASP A 58 16.562 2.139 -29.833 1.00 2.24 C ATOM 921 C ASP A 58 16.760 3.047 -28.604 1.00 72.22 C ATOM 922 O ASP A 58 15.832 3.730 -28.158 1.00 72.13 O ATOM 923 CB ASP A 58 16.278 0.707 -29.374 1.00 74.14 C ATOM 924 CG ASP A 58 16.189 -0.267 -30.534 1.00 31.00 C ATOM 925 OD1 ASP A 58 17.238 -0.575 -31.136 1.00 2.33 O ATOM 926 OD2 ASP A 58 15.081 -0.747 -30.838 1.00 62.40 O ATOM 0 H ASP A 58 18.126 1.226 -30.896 1.00 42.24 H new ATOM 0 HA ASP A 58 15.715 2.523 -30.402 1.00 2.24 H new ATOM 0 HB2 ASP A 58 17.065 0.384 -28.692 1.00 74.14 H new ATOM 0 HB3 ASP A 58 15.343 0.687 -28.814 1.00 74.14 H new ATOM 931 N ALA A 59 17.976 3.040 -28.054 1.00 21.34 N ATOM 932 CA ALA A 59 18.321 3.908 -26.926 1.00 62.35 C ATOM 933 C ALA A 59 18.166 5.390 -27.296 1.00 14.01 C ATOM 934 O ALA A 59 17.521 6.157 -26.578 1.00 63.23 O ATOM 935 CB ALA A 59 19.745 3.626 -26.456 1.00 23.42 C ATOM 0 H ALA A 59 18.739 2.442 -28.372 1.00 21.34 H new ATOM 0 HA ALA A 59 17.630 3.691 -26.112 1.00 62.35 H new ATOM 0 HB1 ALA A 59 19.987 4.279 -25.617 1.00 23.42 H new ATOM 0 HB2 ALA A 59 19.825 2.586 -26.141 1.00 23.42 H new ATOM 0 HB3 ALA A 59 20.442 3.812 -27.273 1.00 23.42 H new ATOM 941 N ILE A 60 18.746 5.775 -28.433 1.00 22.41 N ATOM 942 CA ILE A 60 18.717 7.169 -28.896 1.00 1.03 C ATOM 943 C ILE A 60 17.277 7.697 -29.026 1.00 14.32 C ATOM 944 O ILE A 60 16.957 8.778 -28.528 1.00 73.22 O ATOM 945 CB ILE A 60 19.447 7.319 -30.256 1.00 75.45 C ATOM 946 CG1 ILE A 60 20.906 6.843 -30.134 1.00 30.31 C ATOM 947 CG2 ILE A 60 19.386 8.766 -30.747 1.00 62.15 C ATOM 948 CD1 ILE A 60 21.677 6.878 -31.437 1.00 31.23 C ATOM 0 H ILE A 60 19.245 5.140 -29.056 1.00 22.41 H new ATOM 0 HA ILE A 60 19.236 7.762 -28.143 1.00 1.03 H new ATOM 0 HB ILE A 60 18.941 6.693 -30.991 1.00 75.45 H new ATOM 0 HG12 ILE A 60 21.421 7.466 -29.403 1.00 30.31 H new ATOM 0 HG13 ILE A 60 20.914 5.824 -29.747 1.00 30.31 H new ATOM 0 HG21 ILE A 60 19.904 8.848 -31.702 1.00 62.15 H new ATOM 0 HG22 ILE A 60 18.345 9.064 -30.872 1.00 62.15 H new ATOM 0 HG23 ILE A 60 19.865 9.418 -30.017 1.00 62.15 H new ATOM 0 HD11 ILE A 60 22.695 6.528 -31.267 1.00 31.23 H new ATOM 0 HD12 ILE A 60 21.188 6.232 -32.166 1.00 31.23 H new ATOM 0 HD13 ILE A 60 21.703 7.899 -31.817 1.00 31.23 H new ATOM 960 N ASP A 61 16.415 6.930 -29.693 1.00 4.44 N ATOM 961 CA ASP A 61 14.998 7.298 -29.831 1.00 75.31 C ATOM 962 C ASP A 61 14.334 7.500 -28.459 1.00 3.40 C ATOM 963 O ASP A 61 13.617 8.479 -28.236 1.00 74.14 O ATOM 964 CB ASP A 61 14.245 6.221 -30.620 1.00 63.04 C ATOM 965 CG ASP A 61 12.744 6.470 -30.651 1.00 4.51 C ATOM 966 OD1 ASP A 61 12.303 7.404 -31.357 1.00 65.42 O ATOM 967 OD2 ASP A 61 12.000 5.747 -29.953 1.00 45.52 O ATOM 0 H ASP A 61 16.668 6.052 -30.146 1.00 4.44 H new ATOM 0 HA ASP A 61 14.951 8.243 -30.373 1.00 75.31 H new ATOM 0 HB2 ASP A 61 14.627 6.188 -31.641 1.00 63.04 H new ATOM 0 HB3 ASP A 61 14.440 5.245 -30.175 1.00 63.04 H new ATOM 972 N THR A 62 14.584 6.564 -27.547 1.00 61.03 N ATOM 973 CA THR A 62 14.030 6.628 -26.189 1.00 5.13 C ATOM 974 C THR A 62 14.422 7.933 -25.483 1.00 2.22 C ATOM 975 O THR A 62 13.576 8.613 -24.891 1.00 44.24 O ATOM 976 CB THR A 62 14.501 5.424 -25.340 1.00 41.55 C ATOM 977 OG1 THR A 62 14.105 4.199 -25.979 1.00 1.24 O ATOM 978 CG2 THR A 62 13.921 5.476 -23.928 1.00 41.24 C ATOM 0 H THR A 62 15.169 5.747 -27.721 1.00 61.03 H new ATOM 0 HA THR A 62 12.945 6.595 -26.286 1.00 5.13 H new ATOM 0 HB THR A 62 15.587 5.469 -25.262 1.00 41.55 H new ATOM 0 HG1 THR A 62 14.705 4.014 -26.731 1.00 1.24 H new ATOM 0 HG21 THR A 62 14.272 4.615 -23.359 1.00 41.24 H new ATOM 0 HG22 THR A 62 14.244 6.393 -23.436 1.00 41.24 H new ATOM 0 HG23 THR A 62 12.832 5.456 -23.981 1.00 41.24 H new ATOM 986 N TYR A 63 15.706 8.283 -25.550 1.00 35.14 N ATOM 987 CA TYR A 63 16.188 9.549 -24.985 1.00 71.44 C ATOM 988 C TYR A 63 15.522 10.748 -25.675 1.00 45.03 C ATOM 989 O TYR A 63 15.103 11.699 -25.019 1.00 51.43 O ATOM 990 CB TYR A 63 17.713 9.667 -25.118 1.00 31.31 C ATOM 991 CG TYR A 63 18.485 8.600 -24.366 1.00 2.32 C ATOM 992 CD1 TYR A 63 18.278 8.392 -23.006 1.00 0.35 C ATOM 993 CD2 TYR A 63 19.431 7.810 -25.012 1.00 31.41 C ATOM 994 CE1 TYR A 63 18.986 7.429 -22.317 1.00 72.34 C ATOM 995 CE2 TYR A 63 20.142 6.845 -24.328 1.00 31.10 C ATOM 996 CZ TYR A 63 19.916 6.660 -22.981 1.00 60.02 C ATOM 997 OH TYR A 63 20.616 5.698 -22.296 1.00 44.25 O ATOM 0 H TYR A 63 16.430 7.713 -25.987 1.00 35.14 H new ATOM 0 HA TYR A 63 15.923 9.554 -23.928 1.00 71.44 H new ATOM 0 HB2 TYR A 63 17.980 9.617 -26.174 1.00 31.31 H new ATOM 0 HB3 TYR A 63 18.024 10.647 -24.757 1.00 31.31 H new ATOM 0 HD1 TYR A 63 17.551 8.994 -22.481 1.00 0.35 H new ATOM 0 HD2 TYR A 63 19.612 7.955 -26.067 1.00 31.41 H new ATOM 0 HE1 TYR A 63 18.812 7.279 -21.262 1.00 72.34 H new ATOM 0 HE2 TYR A 63 20.871 6.239 -24.845 1.00 31.10 H new ATOM 0 HH TYR A 63 21.448 5.496 -22.773 1.00 44.25 H new ATOM 1007 N ALA A 64 15.417 10.678 -27.003 1.00 35.42 N ATOM 1008 CA ALA A 64 14.837 11.763 -27.807 1.00 1.12 C ATOM 1009 C ALA A 64 13.420 12.141 -27.341 1.00 70.41 C ATOM 1010 O ALA A 64 13.150 13.304 -27.028 1.00 53.11 O ATOM 1011 CB ALA A 64 14.823 11.369 -29.279 1.00 13.41 C ATOM 0 H ALA A 64 15.728 9.876 -27.551 1.00 35.42 H new ATOM 0 HA ALA A 64 15.465 12.644 -27.671 1.00 1.12 H new ATOM 0 HB1 ALA A 64 14.392 12.178 -29.868 1.00 13.41 H new ATOM 0 HB2 ALA A 64 15.843 11.179 -29.615 1.00 13.41 H new ATOM 0 HB3 ALA A 64 14.225 10.467 -29.409 1.00 13.41 H new ATOM 1017 N GLN A 65 12.519 11.159 -27.296 1.00 42.22 N ATOM 1018 CA GLN A 65 11.144 11.396 -26.832 1.00 65.23 C ATOM 1019 C GLN A 65 11.159 11.864 -25.364 1.00 54.35 C ATOM 1020 O GLN A 65 10.377 12.730 -24.952 1.00 72.31 O ATOM 1021 CB GLN A 65 10.303 10.111 -26.994 1.00 2.34 C ATOM 1022 CG GLN A 65 8.801 10.354 -27.183 1.00 15.21 C ATOM 1023 CD GLN A 65 8.064 10.759 -25.912 1.00 33.24 C ATOM 1024 OE1 GLN A 65 7.111 11.527 -25.953 1.00 22.43 O ATOM 1025 NE2 GLN A 65 8.470 10.215 -24.780 1.00 32.23 N ATOM 0 H GLN A 65 12.711 10.196 -27.573 1.00 42.22 H new ATOM 0 HA GLN A 65 10.689 12.180 -27.437 1.00 65.23 H new ATOM 0 HB2 GLN A 65 10.678 9.552 -27.851 1.00 2.34 H new ATOM 0 HB3 GLN A 65 10.449 9.483 -26.115 1.00 2.34 H new ATOM 0 HG2 GLN A 65 8.663 11.133 -27.933 1.00 15.21 H new ATOM 0 HG3 GLN A 65 8.345 9.446 -27.579 1.00 15.21 H new ATOM 0 HE21 GLN A 65 9.267 9.579 -24.777 1.00 32.23 H new ATOM 0 HE22 GLN A 65 7.987 10.431 -23.908 1.00 32.23 H new ATOM 1034 N GLY A 66 12.082 11.296 -24.587 1.00 32.41 N ATOM 1035 CA GLY A 66 12.268 11.716 -23.206 1.00 23.53 C ATOM 1036 C GLY A 66 12.701 13.176 -23.082 1.00 62.43 C ATOM 1037 O GLY A 66 12.316 13.862 -22.141 1.00 13.52 O ATOM 0 H GLY A 66 12.706 10.549 -24.892 1.00 32.41 H new ATOM 0 HA2 GLY A 66 11.337 11.571 -22.659 1.00 23.53 H new ATOM 0 HA3 GLY A 66 13.017 11.079 -22.735 1.00 23.53 H new ATOM 1041 N ILE A 67 13.495 13.651 -24.039 1.00 53.21 N ATOM 1042 CA ILE A 67 13.967 15.040 -24.050 1.00 75.22 C ATOM 1043 C ILE A 67 12.790 16.027 -24.038 1.00 4.32 C ATOM 1044 O ILE A 67 12.799 17.023 -23.307 1.00 4.01 O ATOM 1045 CB ILE A 67 14.870 15.296 -25.292 1.00 32.40 C ATOM 1046 CG1 ILE A 67 16.228 14.594 -25.116 1.00 32.42 C ATOM 1047 CG2 ILE A 67 15.062 16.789 -25.560 1.00 73.42 C ATOM 1048 CD1 ILE A 67 17.143 14.714 -26.318 1.00 14.40 C ATOM 0 H ILE A 67 13.829 13.092 -24.824 1.00 53.21 H new ATOM 0 HA ILE A 67 14.554 15.202 -23.146 1.00 75.22 H new ATOM 0 HB ILE A 67 14.365 14.876 -26.162 1.00 32.40 H new ATOM 0 HG12 ILE A 67 16.732 15.013 -24.245 1.00 32.42 H new ATOM 0 HG13 ILE A 67 16.056 13.538 -24.907 1.00 32.42 H new ATOM 0 HG21 ILE A 67 15.698 16.923 -26.435 1.00 73.42 H new ATOM 0 HG22 ILE A 67 14.093 17.254 -25.742 1.00 73.42 H new ATOM 0 HG23 ILE A 67 15.532 17.256 -24.695 1.00 73.42 H new ATOM 0 HD11 ILE A 67 18.079 14.194 -26.116 1.00 14.40 H new ATOM 0 HD12 ILE A 67 16.661 14.269 -27.188 1.00 14.40 H new ATOM 0 HD13 ILE A 67 17.348 15.766 -26.516 1.00 14.40 H new ATOM 1060 N GLU A 68 11.769 15.727 -24.833 1.00 70.13 N ATOM 1061 CA GLU A 68 10.581 16.577 -24.926 1.00 5.41 C ATOM 1062 C GLU A 68 9.799 16.610 -23.600 1.00 70.34 C ATOM 1063 O GLU A 68 9.441 17.682 -23.101 1.00 12.11 O ATOM 1064 CB GLU A 68 9.679 16.093 -26.067 1.00 44.24 C ATOM 1065 CG GLU A 68 10.388 16.039 -27.417 1.00 54.21 C ATOM 1066 CD GLU A 68 9.440 15.762 -28.571 1.00 2.00 C ATOM 1067 OE1 GLU A 68 8.662 16.669 -28.936 1.00 3.21 O ATOM 1068 OE2 GLU A 68 9.458 14.637 -29.111 1.00 21.44 O ATOM 0 H GLU A 68 11.738 14.898 -25.426 1.00 70.13 H new ATOM 0 HA GLU A 68 10.912 17.594 -25.136 1.00 5.41 H new ATOM 0 HB2 GLU A 68 9.299 15.101 -25.824 1.00 44.24 H new ATOM 0 HB3 GLU A 68 8.816 16.755 -26.144 1.00 44.24 H new ATOM 0 HG2 GLU A 68 10.898 16.986 -27.592 1.00 54.21 H new ATOM 0 HG3 GLU A 68 11.154 15.264 -27.389 1.00 54.21 H new ATOM 1075 N VAL A 69 9.533 15.437 -23.027 1.00 14.32 N ATOM 1076 CA VAL A 69 8.811 15.364 -21.750 1.00 55.22 C ATOM 1077 C VAL A 69 9.666 15.896 -20.583 1.00 4.12 C ATOM 1078 O VAL A 69 9.141 16.467 -19.629 1.00 25.12 O ATOM 1079 CB VAL A 69 8.327 13.922 -21.433 1.00 43.50 C ATOM 1080 CG1 VAL A 69 7.417 13.399 -22.546 1.00 0.42 C ATOM 1081 CG2 VAL A 69 9.503 12.975 -21.199 1.00 21.35 C ATOM 0 H VAL A 69 9.801 14.533 -23.417 1.00 14.32 H new ATOM 0 HA VAL A 69 7.933 16.001 -21.860 1.00 55.22 H new ATOM 0 HB VAL A 69 7.750 13.962 -20.509 1.00 43.50 H new ATOM 0 HG11 VAL A 69 7.090 12.388 -22.303 1.00 0.42 H new ATOM 0 HG12 VAL A 69 6.547 14.049 -22.640 1.00 0.42 H new ATOM 0 HG13 VAL A 69 7.965 13.387 -23.488 1.00 0.42 H new ATOM 0 HG21 VAL A 69 9.127 11.976 -20.980 1.00 21.35 H new ATOM 0 HG22 VAL A 69 10.126 12.941 -22.093 1.00 21.35 H new ATOM 0 HG23 VAL A 69 10.096 13.332 -20.357 1.00 21.35 H new ATOM 1091 N ALA A 70 10.986 15.736 -20.677 1.00 24.33 N ATOM 1092 CA ALA A 70 11.898 16.191 -19.619 1.00 51.25 C ATOM 1093 C ALA A 70 11.912 17.719 -19.489 1.00 33.41 C ATOM 1094 O ALA A 70 11.764 18.257 -18.395 1.00 65.22 O ATOM 1095 CB ALA A 70 13.312 15.676 -19.869 1.00 41.52 C ATOM 0 H ALA A 70 11.450 15.296 -21.472 1.00 24.33 H new ATOM 0 HA ALA A 70 11.527 15.781 -18.680 1.00 51.25 H new ATOM 0 HB1 ALA A 70 13.972 16.024 -19.074 1.00 41.52 H new ATOM 0 HB2 ALA A 70 13.305 14.586 -19.884 1.00 41.52 H new ATOM 0 HB3 ALA A 70 13.671 16.049 -20.828 1.00 41.52 H new ATOM 1101 N ARG A 71 12.090 18.412 -20.610 1.00 51.35 N ATOM 1102 CA ARG A 71 12.162 19.878 -20.609 1.00 31.00 C ATOM 1103 C ARG A 71 10.838 20.532 -20.166 1.00 25.23 C ATOM 1104 O ARG A 71 10.842 21.522 -19.429 1.00 1.53 O ATOM 1105 CB ARG A 71 12.559 20.393 -22.002 1.00 53.11 C ATOM 1106 CG ARG A 71 11.610 19.964 -23.118 1.00 43.41 C ATOM 1107 CD ARG A 71 11.975 20.602 -24.456 1.00 2.31 C ATOM 1108 NE ARG A 71 11.928 22.062 -24.387 1.00 43.54 N ATOM 1109 CZ ARG A 71 10.988 22.797 -24.921 1.00 42.31 C ATOM 1110 NH1 ARG A 71 10.012 22.255 -25.578 1.00 32.50 N ATOM 1111 NH2 ARG A 71 11.025 24.080 -24.794 1.00 22.43 N ATOM 0 H ARG A 71 12.187 17.987 -21.532 1.00 51.35 H new ATOM 0 HA ARG A 71 12.924 20.159 -19.882 1.00 31.00 H new ATOM 0 HB2 ARG A 71 12.604 21.482 -21.976 1.00 53.11 H new ATOM 0 HB3 ARG A 71 13.563 20.038 -22.236 1.00 53.11 H new ATOM 0 HG2 ARG A 71 11.633 18.879 -23.216 1.00 43.41 H new ATOM 0 HG3 ARG A 71 10.589 20.239 -22.852 1.00 43.41 H new ATOM 0 HD2 ARG A 71 12.975 20.283 -24.751 1.00 2.31 H new ATOM 0 HD3 ARG A 71 11.288 20.251 -25.226 1.00 2.31 H new ATOM 0 HE ARG A 71 12.679 22.539 -23.889 1.00 43.54 H new ATOM 0 HH11 ARG A 71 9.970 21.241 -25.684 1.00 32.50 H new ATOM 0 HH12 ARG A 71 9.286 22.842 -25.989 1.00 32.50 H new ATOM 0 HH21 ARG A 71 11.787 24.520 -24.278 1.00 22.43 H new ATOM 0 HH22 ARG A 71 10.292 24.655 -25.210 1.00 22.43 H new ATOM 1125 N GLU A 72 9.709 19.983 -20.619 1.00 75.31 N ATOM 1126 CA GLU A 72 8.395 20.574 -20.330 1.00 23.44 C ATOM 1127 C GLU A 72 7.802 20.076 -18.997 1.00 72.12 C ATOM 1128 O GLU A 72 7.407 20.882 -18.152 1.00 72.23 O ATOM 1129 CB GLU A 72 7.429 20.298 -21.491 1.00 43.20 C ATOM 1130 CG GLU A 72 7.867 20.940 -22.807 1.00 72.51 C ATOM 1131 CD GLU A 72 6.879 20.721 -23.941 1.00 23.03 C ATOM 1132 OE1 GLU A 72 5.815 21.376 -23.946 1.00 61.13 O ATOM 1133 OE2 GLU A 72 7.161 19.898 -24.836 1.00 21.34 O ATOM 0 H GLU A 72 9.675 19.135 -21.185 1.00 75.31 H new ATOM 0 HA GLU A 72 8.537 21.650 -20.225 1.00 23.44 H new ATOM 0 HB2 GLU A 72 7.340 19.221 -21.632 1.00 43.20 H new ATOM 0 HB3 GLU A 72 6.438 20.668 -21.226 1.00 43.20 H new ATOM 0 HG2 GLU A 72 8.002 22.011 -22.654 1.00 72.51 H new ATOM 0 HG3 GLU A 72 8.837 20.535 -23.096 1.00 72.51 H new ATOM 1140 N GLU A 73 7.746 18.756 -18.805 1.00 32.14 N ATOM 1141 CA GLU A 73 7.183 18.181 -17.572 1.00 25.23 C ATOM 1142 C GLU A 73 8.154 18.310 -16.386 1.00 11.04 C ATOM 1143 O GLU A 73 7.762 18.724 -15.292 1.00 44.33 O ATOM 1144 CB GLU A 73 6.812 16.702 -17.779 1.00 52.34 C ATOM 1145 CG GLU A 73 5.690 16.470 -18.786 1.00 11.12 C ATOM 1146 CD GLU A 73 4.390 17.151 -18.385 1.00 5.34 C ATOM 1147 OE1 GLU A 73 3.880 16.865 -17.279 1.00 50.23 O ATOM 1148 OE2 GLU A 73 3.872 17.969 -19.173 1.00 40.42 O ATOM 0 H GLU A 73 8.079 18.067 -19.479 1.00 32.14 H new ATOM 0 HA GLU A 73 6.282 18.748 -17.338 1.00 25.23 H new ATOM 0 HB2 GLU A 73 7.698 16.160 -18.109 1.00 52.34 H new ATOM 0 HB3 GLU A 73 6.517 16.276 -16.820 1.00 52.34 H new ATOM 0 HG2 GLU A 73 6.002 16.839 -19.763 1.00 11.12 H new ATOM 0 HG3 GLU A 73 5.517 15.399 -18.890 1.00 11.12 H new ATOM 1155 N GLY A 74 9.417 17.953 -16.611 1.00 61.11 N ATOM 1156 CA GLY A 74 10.421 18.003 -15.551 1.00 33.33 C ATOM 1157 C GLY A 74 11.179 19.328 -15.505 1.00 42.45 C ATOM 1158 O GLY A 74 10.620 20.359 -15.127 1.00 42.24 O ATOM 0 H GLY A 74 9.768 17.628 -17.512 1.00 61.11 H new ATOM 0 HA2 GLY A 74 9.934 17.836 -14.590 1.00 33.33 H new ATOM 0 HA3 GLY A 74 11.132 17.189 -15.694 1.00 33.33 H new ATOM 1162 N THR A 75 12.455 19.303 -15.891 1.00 72.11 N ATOM 1163 CA THR A 75 13.298 20.509 -15.881 1.00 25.34 C ATOM 1164 C THR A 75 14.589 20.306 -16.694 1.00 14.42 C ATOM 1165 O THR A 75 14.884 19.194 -17.141 1.00 2.03 O ATOM 1166 CB THR A 75 13.663 20.936 -14.435 1.00 13.50 C ATOM 1167 OG1 THR A 75 14.384 22.178 -14.446 1.00 61.33 O ATOM 1168 CG2 THR A 75 14.496 19.868 -13.730 1.00 52.24 C ATOM 0 H THR A 75 12.932 18.462 -16.216 1.00 72.11 H new ATOM 0 HA THR A 75 12.711 21.301 -16.346 1.00 25.34 H new ATOM 0 HB THR A 75 12.730 21.062 -13.886 1.00 13.50 H new ATOM 0 HG1 THR A 75 14.606 22.436 -13.527 1.00 61.33 H new ATOM 0 HG21 THR A 75 14.734 20.200 -12.719 1.00 52.24 H new ATOM 0 HG22 THR A 75 13.930 18.938 -13.682 1.00 52.24 H new ATOM 0 HG23 THR A 75 15.420 19.703 -14.284 1.00 52.24 H new ATOM 1176 N GLN A 76 15.364 21.381 -16.872 1.00 60.22 N ATOM 1177 CA GLN A 76 16.590 21.336 -17.685 1.00 35.32 C ATOM 1178 C GLN A 76 17.626 20.333 -17.133 1.00 70.42 C ATOM 1179 O GLN A 76 18.458 19.821 -17.883 1.00 10.55 O ATOM 1180 CB GLN A 76 17.205 22.741 -17.807 1.00 75.00 C ATOM 1181 CG GLN A 76 18.494 22.787 -18.624 1.00 14.15 C ATOM 1182 CD GLN A 76 18.940 24.205 -18.953 1.00 71.23 C ATOM 1183 OE1 GLN A 76 19.665 24.839 -18.190 1.00 73.34 O ATOM 1184 NE2 GLN A 76 18.530 24.707 -20.103 1.00 0.01 N ATOM 0 H GLN A 76 15.166 22.295 -16.465 1.00 60.22 H new ATOM 0 HA GLN A 76 16.306 20.985 -18.677 1.00 35.32 H new ATOM 0 HB2 GLN A 76 16.474 23.408 -18.264 1.00 75.00 H new ATOM 0 HB3 GLN A 76 17.407 23.126 -16.807 1.00 75.00 H new ATOM 0 HG2 GLN A 76 19.286 22.282 -18.071 1.00 14.15 H new ATOM 0 HG3 GLN A 76 18.350 22.233 -19.552 1.00 14.15 H new ATOM 0 HE21 GLN A 76 17.928 24.155 -20.715 1.00 0.01 H new ATOM 0 HE22 GLN A 76 18.815 25.646 -20.380 1.00 0.01 H new ATOM 1193 N LYS A 77 17.572 20.052 -15.831 1.00 4.32 N ATOM 1194 CA LYS A 77 18.445 19.037 -15.223 1.00 35.13 C ATOM 1195 C LYS A 77 18.227 17.661 -15.874 1.00 42.33 C ATOM 1196 O LYS A 77 19.177 17.005 -16.306 1.00 13.12 O ATOM 1197 CB LYS A 77 18.176 18.943 -13.716 1.00 13.33 C ATOM 1198 CG LYS A 77 19.042 17.914 -12.993 1.00 43.21 C ATOM 1199 CD LYS A 77 18.645 17.762 -11.526 1.00 73.30 C ATOM 1200 CE LYS A 77 17.227 17.219 -11.372 1.00 20.22 C ATOM 1201 NZ LYS A 77 16.835 17.081 -9.944 1.00 1.44 N ATOM 0 H LYS A 77 16.937 20.508 -15.176 1.00 4.32 H new ATOM 0 HA LYS A 77 19.479 19.339 -15.388 1.00 35.13 H new ATOM 0 HB2 LYS A 77 18.341 19.922 -13.266 1.00 13.33 H new ATOM 0 HB3 LYS A 77 17.127 18.693 -13.560 1.00 13.33 H new ATOM 0 HG2 LYS A 77 18.954 16.950 -13.494 1.00 43.21 H new ATOM 0 HG3 LYS A 77 20.089 18.212 -13.056 1.00 43.21 H new ATOM 0 HD2 LYS A 77 19.346 17.092 -11.028 1.00 73.30 H new ATOM 0 HD3 LYS A 77 18.719 18.729 -11.028 1.00 73.30 H new ATOM 0 HE2 LYS A 77 16.527 17.885 -11.877 1.00 20.22 H new ATOM 0 HE3 LYS A 77 17.155 16.249 -11.863 1.00 20.22 H new ATOM 0 HZ1 LYS A 77 15.865 16.709 -9.884 1.00 1.44 H new ATOM 0 HZ2 LYS A 77 17.487 16.426 -9.467 1.00 1.44 H new ATOM 0 HZ3 LYS A 77 16.878 18.011 -9.481 1.00 1.44 H new ATOM 1215 N ASP A 78 16.966 17.243 -15.960 1.00 51.31 N ATOM 1216 CA ASP A 78 16.610 15.980 -16.611 1.00 23.51 C ATOM 1217 C ASP A 78 16.866 16.065 -18.121 1.00 42.30 C ATOM 1218 O ASP A 78 17.364 15.124 -18.741 1.00 2.03 O ATOM 1219 CB ASP A 78 15.141 15.652 -16.345 1.00 1.15 C ATOM 1220 CG ASP A 78 14.814 15.655 -14.863 1.00 32.31 C ATOM 1221 OD1 ASP A 78 15.221 14.705 -14.161 1.00 65.10 O ATOM 1222 OD2 ASP A 78 14.161 16.609 -14.392 1.00 31.23 O ATOM 0 H ASP A 78 16.170 17.761 -15.587 1.00 51.31 H new ATOM 0 HA ASP A 78 17.232 15.186 -16.198 1.00 23.51 H new ATOM 0 HB2 ASP A 78 14.510 16.379 -16.856 1.00 1.15 H new ATOM 0 HB3 ASP A 78 14.907 14.674 -16.765 1.00 1.15 H new ATOM 1227 N LEU A 79 16.520 17.214 -18.694 1.00 12.42 N ATOM 1228 CA LEU A 79 16.783 17.510 -20.104 1.00 24.24 C ATOM 1229 C LEU A 79 18.269 17.298 -20.453 1.00 23.13 C ATOM 1230 O LEU A 79 18.601 16.724 -21.490 1.00 13.52 O ATOM 1231 CB LEU A 79 16.370 18.962 -20.395 1.00 20.40 C ATOM 1232 CG LEU A 79 16.622 19.461 -21.825 1.00 63.10 C ATOM 1233 CD1 LEU A 79 15.778 18.682 -22.824 1.00 62.30 C ATOM 1234 CD2 LEU A 79 16.349 20.962 -21.930 1.00 15.14 C ATOM 0 H LEU A 79 16.049 17.969 -18.196 1.00 12.42 H new ATOM 0 HA LEU A 79 16.200 16.827 -20.722 1.00 24.24 H new ATOM 0 HB2 LEU A 79 15.307 19.067 -20.177 1.00 20.40 H new ATOM 0 HB3 LEU A 79 16.903 19.616 -19.704 1.00 20.40 H new ATOM 0 HG LEU A 79 17.671 19.292 -22.066 1.00 63.10 H new ATOM 0 HD11 LEU A 79 15.972 19.052 -23.831 1.00 62.30 H new ATOM 0 HD12 LEU A 79 16.035 17.624 -22.770 1.00 62.30 H new ATOM 0 HD13 LEU A 79 14.722 18.812 -22.587 1.00 62.30 H new ATOM 0 HD21 LEU A 79 16.534 21.295 -22.951 1.00 15.14 H new ATOM 0 HD22 LEU A 79 15.311 21.162 -21.665 1.00 15.14 H new ATOM 0 HD23 LEU A 79 17.008 21.500 -21.248 1.00 15.14 H new ATOM 1246 N SER A 80 19.155 17.765 -19.576 1.00 1.21 N ATOM 1247 CA SER A 80 20.607 17.624 -19.776 1.00 23.34 C ATOM 1248 C SER A 80 21.041 16.152 -19.758 1.00 11.12 C ATOM 1249 O SER A 80 21.788 15.705 -20.629 1.00 43.33 O ATOM 1250 CB SER A 80 21.378 18.399 -18.695 1.00 62.45 C ATOM 1251 OG SER A 80 22.782 18.270 -18.863 1.00 10.31 O ATOM 0 H SER A 80 18.898 18.247 -18.715 1.00 1.21 H new ATOM 0 HA SER A 80 20.840 18.038 -20.757 1.00 23.34 H new ATOM 0 HB2 SER A 80 21.101 19.453 -18.734 1.00 62.45 H new ATOM 0 HB3 SER A 80 21.093 18.031 -17.709 1.00 62.45 H new ATOM 0 HG SER A 80 23.243 18.775 -18.161 1.00 10.31 H new ATOM 1257 N GLU A 81 20.550 15.404 -18.770 1.00 44.21 N ATOM 1258 CA GLU A 81 20.885 13.980 -18.620 1.00 22.12 C ATOM 1259 C GLU A 81 20.547 13.177 -19.888 1.00 23.34 C ATOM 1260 O GLU A 81 21.359 12.386 -20.373 1.00 72.43 O ATOM 1261 CB GLU A 81 20.123 13.385 -17.423 1.00 32.32 C ATOM 1262 CG GLU A 81 20.518 13.966 -16.067 1.00 15.33 C ATOM 1263 CD GLU A 81 21.913 13.550 -15.623 1.00 45.33 C ATOM 1264 OE1 GLU A 81 22.088 12.384 -15.215 1.00 55.25 O ATOM 1265 OE2 GLU A 81 22.841 14.386 -15.672 1.00 51.42 O ATOM 0 H GLU A 81 19.915 15.759 -18.055 1.00 44.21 H new ATOM 0 HA GLU A 81 21.960 13.912 -18.451 1.00 22.12 H new ATOM 0 HB2 GLU A 81 19.055 13.542 -17.574 1.00 32.32 H new ATOM 0 HB3 GLU A 81 20.287 12.308 -17.404 1.00 32.32 H new ATOM 0 HG2 GLU A 81 20.468 15.054 -16.116 1.00 15.33 H new ATOM 0 HG3 GLU A 81 19.794 13.647 -15.317 1.00 15.33 H new ATOM 1272 N LEU A 82 19.344 13.391 -20.421 1.00 73.24 N ATOM 1273 CA LEU A 82 18.868 12.648 -21.595 1.00 71.13 C ATOM 1274 C LEU A 82 19.615 13.040 -22.882 1.00 42.05 C ATOM 1275 O LEU A 82 19.991 12.172 -23.675 1.00 23.20 O ATOM 1276 CB LEU A 82 17.358 12.851 -21.759 1.00 21.12 C ATOM 1277 CG LEU A 82 16.515 12.345 -20.577 1.00 10.25 C ATOM 1278 CD1 LEU A 82 15.034 12.617 -20.803 1.00 1.31 C ATOM 1279 CD2 LEU A 82 16.754 10.857 -20.336 1.00 65.32 C ATOM 0 H LEU A 82 18.678 14.074 -20.060 1.00 73.24 H new ATOM 0 HA LEU A 82 19.076 11.592 -21.425 1.00 71.13 H new ATOM 0 HB2 LEU A 82 17.160 13.913 -21.901 1.00 21.12 H new ATOM 0 HB3 LEU A 82 17.032 12.342 -22.666 1.00 21.12 H new ATOM 0 HG LEU A 82 16.829 12.892 -19.688 1.00 10.25 H new ATOM 0 HD11 LEU A 82 14.462 12.249 -19.951 1.00 1.31 H new ATOM 0 HD12 LEU A 82 14.873 13.690 -20.911 1.00 1.31 H new ATOM 0 HD13 LEU A 82 14.705 12.108 -21.709 1.00 1.31 H new ATOM 0 HD21 LEU A 82 16.147 10.522 -19.495 1.00 65.32 H new ATOM 0 HD22 LEU A 82 16.479 10.295 -21.229 1.00 65.32 H new ATOM 0 HD23 LEU A 82 17.807 10.689 -20.112 1.00 65.32 H new ATOM 1291 N GLN A 83 19.830 14.341 -23.093 1.00 10.23 N ATOM 1292 CA GLN A 83 20.608 14.810 -24.251 1.00 21.12 C ATOM 1293 C GLN A 83 22.026 14.228 -24.224 1.00 72.31 C ATOM 1294 O GLN A 83 22.502 13.670 -25.210 1.00 63.52 O ATOM 1295 CB GLN A 83 20.685 16.342 -24.278 1.00 44.54 C ATOM 1296 CG GLN A 83 19.349 17.032 -24.516 1.00 52.44 C ATOM 1297 CD GLN A 83 19.479 18.542 -24.528 1.00 63.32 C ATOM 1298 OE1 GLN A 83 19.690 19.154 -25.570 1.00 22.55 O ATOM 1299 NE2 GLN A 83 19.383 19.152 -23.368 1.00 13.21 N ATOM 0 H GLN A 83 19.482 15.084 -22.487 1.00 10.23 H new ATOM 0 HA GLN A 83 20.097 14.467 -25.151 1.00 21.12 H new ATOM 0 HB2 GLN A 83 21.097 16.690 -23.331 1.00 44.54 H new ATOM 0 HB3 GLN A 83 21.382 16.645 -25.059 1.00 44.54 H new ATOM 0 HG2 GLN A 83 18.933 16.697 -25.466 1.00 52.44 H new ATOM 0 HG3 GLN A 83 18.645 16.736 -23.738 1.00 52.44 H new ATOM 0 HE21 GLN A 83 19.207 18.612 -22.521 1.00 13.21 H new ATOM 0 HE22 GLN A 83 19.485 20.166 -23.315 1.00 13.21 H new ATOM 1308 N ASP A 84 22.683 14.351 -23.076 1.00 24.31 N ATOM 1309 CA ASP A 84 24.027 13.804 -22.879 1.00 35.11 C ATOM 1310 C ASP A 84 24.054 12.288 -23.147 1.00 21.21 C ATOM 1311 O ASP A 84 25.006 11.755 -23.731 1.00 43.53 O ATOM 1312 CB ASP A 84 24.479 14.101 -21.447 1.00 11.41 C ATOM 1313 CG ASP A 84 25.908 13.675 -21.182 1.00 42.42 C ATOM 1314 OD1 ASP A 84 26.124 12.514 -20.779 1.00 24.13 O ATOM 1315 OD2 ASP A 84 26.823 14.496 -21.385 1.00 72.00 O ATOM 0 H ASP A 84 22.305 14.829 -22.258 1.00 24.31 H new ATOM 0 HA ASP A 84 24.710 14.275 -23.586 1.00 35.11 H new ATOM 0 HB2 ASP A 84 24.382 15.169 -21.254 1.00 11.41 H new ATOM 0 HB3 ASP A 84 23.817 13.590 -20.748 1.00 11.41 H new ATOM 1320 N ALA A 85 22.985 11.609 -22.731 1.00 53.44 N ATOM 1321 CA ALA A 85 22.865 10.156 -22.880 1.00 3.41 C ATOM 1322 C ALA A 85 22.849 9.716 -24.356 1.00 53.31 C ATOM 1323 O ALA A 85 23.534 8.759 -24.729 1.00 43.41 O ATOM 1324 CB ALA A 85 21.618 9.660 -22.164 1.00 51.43 C ATOM 0 H ALA A 85 22.180 12.047 -22.283 1.00 53.44 H new ATOM 0 HA ALA A 85 23.748 9.708 -22.425 1.00 3.41 H new ATOM 0 HB1 ALA A 85 21.537 8.579 -22.280 1.00 51.43 H new ATOM 0 HB2 ALA A 85 21.684 9.907 -21.104 1.00 51.43 H new ATOM 0 HB3 ALA A 85 20.738 10.138 -22.594 1.00 51.43 H new ATOM 1330 N LYS A 86 22.051 10.388 -25.189 1.00 43.43 N ATOM 1331 CA LYS A 86 22.041 10.097 -26.633 1.00 73.00 C ATOM 1332 C LYS A 86 23.296 10.663 -27.327 1.00 11.24 C ATOM 1333 O LYS A 86 23.823 10.062 -28.264 1.00 31.42 O ATOM 1334 CB LYS A 86 20.775 10.645 -27.311 1.00 62.31 C ATOM 1335 CG LYS A 86 20.598 12.157 -27.187 1.00 4.10 C ATOM 1336 CD LYS A 86 19.510 12.689 -28.119 1.00 1.55 C ATOM 1337 CE LYS A 86 19.886 12.509 -29.587 1.00 54.24 C ATOM 1338 NZ LYS A 86 18.897 13.133 -30.504 1.00 32.45 N ATOM 0 H LYS A 86 21.411 11.127 -24.899 1.00 43.43 H new ATOM 0 HA LYS A 86 22.044 9.012 -26.738 1.00 73.00 H new ATOM 0 HB2 LYS A 86 20.800 10.380 -28.368 1.00 62.31 H new ATOM 0 HB3 LYS A 86 19.904 10.153 -26.879 1.00 62.31 H new ATOM 0 HG2 LYS A 86 20.346 12.408 -26.157 1.00 4.10 H new ATOM 0 HG3 LYS A 86 21.542 12.652 -27.414 1.00 4.10 H new ATOM 0 HD2 LYS A 86 18.573 12.170 -27.917 1.00 1.55 H new ATOM 0 HD3 LYS A 86 19.340 13.746 -27.914 1.00 1.55 H new ATOM 0 HE2 LYS A 86 20.869 12.946 -29.764 1.00 54.24 H new ATOM 0 HE3 LYS A 86 19.965 11.445 -29.811 1.00 54.24 H new ATOM 0 HZ1 LYS A 86 19.195 12.985 -31.489 1.00 32.45 H new ATOM 0 HZ2 LYS A 86 17.964 12.699 -30.356 1.00 32.45 H new ATOM 0 HZ3 LYS A 86 18.839 14.153 -30.310 1.00 32.45 H new ATOM 1352 N LEU A 87 23.770 11.817 -26.849 1.00 54.12 N ATOM 1353 CA LEU A 87 24.957 12.480 -27.413 1.00 0.53 C ATOM 1354 C LEU A 87 26.171 11.541 -27.433 1.00 64.35 C ATOM 1355 O LEU A 87 26.821 11.367 -28.467 1.00 23.30 O ATOM 1356 CB LEU A 87 25.291 13.743 -26.604 1.00 61.21 C ATOM 1357 CG LEU A 87 26.493 14.559 -27.110 1.00 33.34 C ATOM 1358 CD1 LEU A 87 26.218 15.125 -28.503 1.00 41.12 C ATOM 1359 CD2 LEU A 87 26.837 15.676 -26.127 1.00 35.24 C ATOM 0 H LEU A 87 23.348 12.317 -26.067 1.00 54.12 H new ATOM 0 HA LEU A 87 24.725 12.756 -28.442 1.00 0.53 H new ATOM 0 HB2 LEU A 87 24.414 14.390 -26.596 1.00 61.21 H new ATOM 0 HB3 LEU A 87 25.482 13.451 -25.571 1.00 61.21 H new ATOM 0 HG LEU A 87 27.352 13.892 -27.182 1.00 33.34 H new ATOM 0 HD11 LEU A 87 27.082 15.698 -28.840 1.00 41.12 H new ATOM 0 HD12 LEU A 87 26.032 14.306 -29.198 1.00 41.12 H new ATOM 0 HD13 LEU A 87 25.344 15.775 -28.466 1.00 41.12 H new ATOM 0 HD21 LEU A 87 27.690 16.242 -26.503 1.00 35.24 H new ATOM 0 HD22 LEU A 87 25.980 16.341 -26.018 1.00 35.24 H new ATOM 0 HD23 LEU A 87 27.087 15.244 -25.158 1.00 35.24 H new ATOM 1371 N LYS A 88 26.469 10.931 -26.286 1.00 74.14 N ATOM 1372 CA LYS A 88 27.589 9.990 -26.185 1.00 34.11 C ATOM 1373 C LYS A 88 27.412 8.799 -27.146 1.00 3.13 C ATOM 1374 O LYS A 88 28.392 8.271 -27.670 1.00 23.44 O ATOM 1375 CB LYS A 88 27.749 9.487 -24.743 1.00 51.13 C ATOM 1376 CG LYS A 88 26.502 8.814 -24.183 1.00 32.43 C ATOM 1377 CD LYS A 88 26.724 8.284 -22.770 1.00 75.21 C ATOM 1378 CE LYS A 88 25.476 7.591 -22.236 1.00 22.33 C ATOM 1379 NZ LYS A 88 24.975 6.553 -23.177 1.00 61.23 N ATOM 0 H LYS A 88 25.954 11.069 -25.416 1.00 74.14 H new ATOM 0 HA LYS A 88 28.493 10.526 -26.473 1.00 34.11 H new ATOM 0 HB2 LYS A 88 28.579 8.782 -24.704 1.00 51.13 H new ATOM 0 HB3 LYS A 88 28.015 10.328 -24.102 1.00 51.13 H new ATOM 0 HG2 LYS A 88 25.677 9.526 -24.177 1.00 32.43 H new ATOM 0 HG3 LYS A 88 26.209 7.992 -24.837 1.00 32.43 H new ATOM 0 HD2 LYS A 88 27.560 7.584 -22.769 1.00 75.21 H new ATOM 0 HD3 LYS A 88 26.996 9.107 -22.109 1.00 75.21 H new ATOM 0 HE2 LYS A 88 25.699 7.131 -21.273 1.00 22.33 H new ATOM 0 HE3 LYS A 88 24.695 8.331 -22.062 1.00 22.33 H new ATOM 0 HZ1 LYS A 88 24.199 6.024 -22.729 1.00 61.23 H new ATOM 0 HZ2 LYS A 88 24.627 7.009 -24.044 1.00 61.23 H new ATOM 0 HZ3 LYS A 88 25.748 5.899 -23.416 1.00 61.23 H new ATOM 1393 N ALA A 89 26.159 8.392 -27.381 1.00 61.13 N ATOM 1394 CA ALA A 89 25.855 7.312 -28.332 1.00 21.14 C ATOM 1395 C ALA A 89 26.217 7.726 -29.767 1.00 4.33 C ATOM 1396 O ALA A 89 26.776 6.941 -30.542 1.00 51.01 O ATOM 1397 CB ALA A 89 24.383 6.922 -28.241 1.00 71.24 C ATOM 0 H ALA A 89 25.338 8.793 -26.927 1.00 61.13 H new ATOM 0 HA ALA A 89 26.461 6.445 -28.068 1.00 21.14 H new ATOM 0 HB1 ALA A 89 24.174 6.122 -28.951 1.00 71.24 H new ATOM 0 HB2 ALA A 89 24.159 6.579 -27.231 1.00 71.24 H new ATOM 0 HB3 ALA A 89 23.762 7.787 -28.476 1.00 71.24 H new ATOM 1403 N GLU A 90 25.895 8.966 -30.117 1.00 71.33 N ATOM 1404 CA GLU A 90 26.306 9.543 -31.397 1.00 50.44 C ATOM 1405 C GLU A 90 27.839 9.619 -31.497 1.00 1.32 C ATOM 1406 O GLU A 90 28.423 9.293 -32.531 1.00 62.11 O ATOM 1407 CB GLU A 90 25.698 10.942 -31.557 1.00 41.01 C ATOM 1408 CG GLU A 90 24.182 10.947 -31.725 1.00 34.43 C ATOM 1409 CD GLU A 90 23.742 10.479 -33.107 1.00 1.35 C ATOM 1410 OE1 GLU A 90 23.914 11.247 -34.078 1.00 15.44 O ATOM 1411 OE2 GLU A 90 23.219 9.352 -33.231 1.00 52.35 O ATOM 0 H GLU A 90 25.348 9.596 -29.531 1.00 71.33 H new ATOM 0 HA GLU A 90 25.943 8.899 -32.198 1.00 50.44 H new ATOM 0 HB2 GLU A 90 25.958 11.541 -30.684 1.00 41.01 H new ATOM 0 HB3 GLU A 90 26.150 11.426 -32.423 1.00 41.01 H new ATOM 0 HG2 GLU A 90 23.735 10.303 -30.968 1.00 34.43 H new ATOM 0 HG3 GLU A 90 23.804 11.954 -31.550 1.00 34.43 H new ATOM 1418 N GLY A 91 28.482 10.022 -30.402 1.00 54.42 N ATOM 1419 CA GLY A 91 29.933 10.191 -30.387 1.00 54.14 C ATOM 1420 C GLY A 91 30.724 8.900 -30.145 1.00 24.23 C ATOM 1421 O GLY A 91 31.952 8.940 -30.060 1.00 50.43 O ATOM 0 H GLY A 91 28.022 10.237 -29.517 1.00 54.42 H new ATOM 0 HA2 GLY A 91 30.245 10.620 -31.339 1.00 54.14 H new ATOM 0 HA3 GLY A 91 30.194 10.912 -29.612 1.00 54.14 H new ATOM 1425 N LEU A 92 30.037 7.756 -30.022 1.00 22.14 N ATOM 1426 CA LEU A 92 30.721 6.460 -29.845 1.00 0.33 C ATOM 1427 C LEU A 92 31.648 6.143 -31.031 1.00 52.23 C ATOM 1428 O LEU A 92 32.873 6.090 -30.884 1.00 34.44 O ATOM 1429 CB LEU A 92 29.704 5.316 -29.668 1.00 30.11 C ATOM 1430 CG LEU A 92 28.955 5.289 -28.325 1.00 71.32 C ATOM 1431 CD1 LEU A 92 27.959 4.132 -28.286 1.00 70.14 C ATOM 1432 CD2 LEU A 92 29.938 5.194 -27.158 1.00 10.54 C ATOM 0 H LEU A 92 29.019 7.697 -30.041 1.00 22.14 H new ATOM 0 HA LEU A 92 31.327 6.542 -28.942 1.00 0.33 H new ATOM 0 HB2 LEU A 92 28.970 5.380 -30.471 1.00 30.11 H new ATOM 0 HB3 LEU A 92 30.227 4.368 -29.790 1.00 30.11 H new ATOM 0 HG LEU A 92 28.399 6.222 -28.227 1.00 71.32 H new ATOM 0 HD11 LEU A 92 27.440 4.131 -27.328 1.00 70.14 H new ATOM 0 HD12 LEU A 92 27.234 4.249 -29.091 1.00 70.14 H new ATOM 0 HD13 LEU A 92 28.491 3.189 -28.411 1.00 70.14 H new ATOM 0 HD21 LEU A 92 29.386 5.176 -26.218 1.00 10.54 H new ATOM 0 HD22 LEU A 92 30.526 4.281 -27.251 1.00 10.54 H new ATOM 0 HD23 LEU A 92 30.604 6.057 -27.172 1.00 10.54 H new ATOM 1444 N GLU A 93 31.059 5.941 -32.206 1.00 1.15 N ATOM 1445 CA GLU A 93 31.828 5.605 -33.409 1.00 74.14 C ATOM 1446 C GLU A 93 31.104 6.059 -34.686 1.00 31.12 C ATOM 1447 O GLU A 93 30.082 6.746 -34.621 1.00 30.10 O ATOM 1448 CB GLU A 93 32.098 4.094 -33.466 1.00 3.13 C ATOM 1449 CG GLU A 93 30.845 3.240 -33.640 1.00 72.33 C ATOM 1450 CD GLU A 93 31.171 1.764 -33.793 1.00 13.31 C ATOM 1451 OE1 GLU A 93 31.738 1.385 -34.840 1.00 35.41 O ATOM 1452 OE2 GLU A 93 30.882 0.980 -32.865 1.00 33.13 O ATOM 0 H GLU A 93 30.052 6.003 -32.355 1.00 1.15 H new ATOM 0 HA GLU A 93 32.778 6.137 -33.353 1.00 74.14 H new ATOM 0 HB2 GLU A 93 32.781 3.889 -34.291 1.00 3.13 H new ATOM 0 HB3 GLU A 93 32.605 3.792 -32.550 1.00 3.13 H new ATOM 0 HG2 GLU A 93 30.191 3.378 -32.779 1.00 72.33 H new ATOM 0 HG3 GLU A 93 30.294 3.581 -34.517 1.00 72.33 H new ATOM 1459 N HIS A 94 31.630 5.661 -35.844 1.00 4.14 N ATOM 1460 CA HIS A 94 31.071 6.077 -37.136 1.00 2.24 C ATOM 1461 C HIS A 94 29.679 5.469 -37.378 1.00 42.50 C ATOM 1462 O HIS A 94 29.542 4.255 -37.534 1.00 61.15 O ATOM 1463 CB HIS A 94 32.016 5.669 -38.276 1.00 72.50 C ATOM 1464 CG HIS A 94 33.409 6.203 -38.127 1.00 33.12 C ATOM 1465 ND1 HIS A 94 34.428 5.489 -37.533 1.00 14.04 N ATOM 1466 CD2 HIS A 94 33.956 7.385 -38.501 1.00 15.11 C ATOM 1467 CE1 HIS A 94 35.533 6.204 -37.547 1.00 40.22 C ATOM 1468 NE2 HIS A 94 35.276 7.356 -38.127 1.00 43.54 N ATOM 0 H HIS A 94 32.444 5.050 -35.917 1.00 4.14 H new ATOM 0 HA HIS A 94 30.966 7.162 -37.114 1.00 2.24 H new ATOM 0 HB2 HIS A 94 32.058 4.581 -38.329 1.00 72.50 H new ATOM 0 HB3 HIS A 94 31.602 6.019 -39.222 1.00 72.50 H new ATOM 0 HD2 HIS A 94 33.448 8.197 -39.000 1.00 15.11 H new ATOM 0 HE1 HIS A 94 36.489 5.897 -37.149 1.00 40.22 H new ATOM 0 HE2 HIS A 94 35.950 8.107 -38.275 1.00 43.54 H new ATOM 1477 N HIS A 95 28.649 6.316 -37.397 1.00 44.24 N ATOM 1478 CA HIS A 95 27.292 5.871 -37.741 1.00 50.12 C ATOM 1479 C HIS A 95 27.166 5.657 -39.258 1.00 20.14 C ATOM 1480 O HIS A 95 26.453 4.764 -39.717 1.00 21.31 O ATOM 1481 CB HIS A 95 26.247 6.884 -37.250 1.00 51.14 C ATOM 1482 CG HIS A 95 26.129 6.949 -35.754 1.00 52.51 C ATOM 1483 ND1 HIS A 95 24.972 6.626 -35.075 1.00 54.22 N ATOM 1484 CD2 HIS A 95 27.029 7.300 -34.802 1.00 3.35 C ATOM 1485 CE1 HIS A 95 25.163 6.776 -33.780 1.00 54.24 C ATOM 1486 NE2 HIS A 95 26.399 7.181 -33.587 1.00 14.25 N ATOM 0 H HIS A 95 28.724 7.310 -37.180 1.00 44.24 H new ATOM 0 HA HIS A 95 27.106 4.921 -37.241 1.00 50.12 H new ATOM 0 HB2 HIS A 95 26.506 7.873 -37.629 1.00 51.14 H new ATOM 0 HB3 HIS A 95 25.276 6.625 -37.672 1.00 51.14 H new ATOM 0 HD1 HIS A 95 24.102 6.318 -35.509 1.00 54.22 H new ATOM 0 HD2 HIS A 95 28.049 7.614 -34.968 1.00 3.35 H new ATOM 0 HE1 HIS A 95 24.429 6.597 -33.008 1.00 54.24 H new ATOM 1495 N HIS A 96 27.871 6.484 -40.028 1.00 11.43 N ATOM 1496 CA HIS A 96 27.965 6.304 -41.478 1.00 21.54 C ATOM 1497 C HIS A 96 29.058 5.277 -41.812 1.00 53.13 C ATOM 1498 O HIS A 96 30.249 5.562 -41.679 1.00 52.41 O ATOM 1499 CB HIS A 96 28.272 7.639 -42.169 1.00 3.54 C ATOM 1500 CG HIS A 96 27.233 8.694 -41.942 1.00 54.40 C ATOM 1501 ND1 HIS A 96 27.373 9.704 -41.014 1.00 4.44 N ATOM 1502 CD2 HIS A 96 26.035 8.905 -42.539 1.00 4.42 C ATOM 1503 CE1 HIS A 96 26.313 10.485 -41.050 1.00 3.22 C ATOM 1504 NE2 HIS A 96 25.486 10.025 -41.967 1.00 41.00 N ATOM 0 H HIS A 96 28.387 7.288 -39.672 1.00 11.43 H new ATOM 0 HA HIS A 96 27.006 5.936 -41.843 1.00 21.54 H new ATOM 0 HB2 HIS A 96 29.234 8.008 -41.813 1.00 3.54 H new ATOM 0 HB3 HIS A 96 28.373 7.467 -43.241 1.00 3.54 H new ATOM 0 HD2 HIS A 96 25.594 8.303 -43.320 1.00 4.42 H new ATOM 0 HE1 HIS A 96 26.149 11.356 -40.432 1.00 3.22 H new ATOM 0 HE2 HIS A 96 24.585 10.435 -42.212 1.00 41.00 H new ATOM 1513 N HIS A 97 28.649 4.086 -42.242 1.00 22.51 N ATOM 1514 CA HIS A 97 29.592 2.985 -42.495 1.00 62.12 C ATOM 1515 C HIS A 97 30.291 3.101 -43.862 1.00 64.32 C ATOM 1516 O HIS A 97 31.031 2.204 -44.268 1.00 35.20 O ATOM 1517 CB HIS A 97 28.869 1.641 -42.357 1.00 32.44 C ATOM 1518 CG HIS A 97 28.468 1.339 -40.943 1.00 52.32 C ATOM 1519 ND1 HIS A 97 27.299 1.794 -40.370 1.00 0.10 N ATOM 1520 CD2 HIS A 97 29.104 0.641 -39.974 1.00 32.22 C ATOM 1521 CE1 HIS A 97 27.235 1.388 -39.119 1.00 23.23 C ATOM 1522 NE2 HIS A 97 28.318 0.688 -38.850 1.00 13.31 N ATOM 0 H HIS A 97 27.673 3.853 -42.424 1.00 22.51 H new ATOM 0 HA HIS A 97 30.381 3.049 -41.745 1.00 62.12 H new ATOM 0 HB2 HIS A 97 27.981 1.645 -42.989 1.00 32.44 H new ATOM 0 HB3 HIS A 97 29.518 0.845 -42.724 1.00 32.44 H new ATOM 0 HD2 HIS A 97 30.056 0.139 -40.068 1.00 32.22 H new ATOM 0 HE1 HIS A 97 26.430 1.594 -38.429 1.00 23.23 H new ATOM 0 HE2 HIS A 97 28.536 0.253 -37.954 1.00 13.31 H new ATOM 1531 N HIS A 98 30.052 4.203 -44.566 1.00 43.24 N ATOM 1532 CA HIS A 98 30.816 4.530 -45.774 1.00 21.13 C ATOM 1533 C HIS A 98 30.943 6.050 -45.946 1.00 23.40 C ATOM 1534 O HIS A 98 30.315 6.823 -45.222 1.00 45.33 O ATOM 1535 CB HIS A 98 30.186 3.894 -47.028 1.00 60.14 C ATOM 1536 CG HIS A 98 28.785 4.340 -47.332 1.00 51.31 C ATOM 1537 ND1 HIS A 98 27.701 3.491 -47.281 1.00 21.55 N ATOM 1538 CD2 HIS A 98 28.295 5.538 -47.735 1.00 14.05 C ATOM 1539 CE1 HIS A 98 26.613 4.143 -47.633 1.00 62.22 C ATOM 1540 NE2 HIS A 98 26.944 5.385 -47.913 1.00 60.41 N ATOM 0 H HIS A 98 29.336 4.888 -44.324 1.00 43.24 H new ATOM 0 HA HIS A 98 31.815 4.112 -45.654 1.00 21.13 H new ATOM 0 HB2 HIS A 98 30.817 4.120 -47.887 1.00 60.14 H new ATOM 0 HB3 HIS A 98 30.188 2.811 -46.907 1.00 60.14 H new ATOM 0 HD2 HIS A 98 28.863 6.444 -47.887 1.00 14.05 H new ATOM 0 HE1 HIS A 98 25.617 3.728 -47.683 1.00 62.22 H new ATOM 0 HE2 HIS A 98 26.300 6.116 -48.214 1.00 60.41 H new ATOM 1549 N HIS A 99 31.763 6.471 -46.906 1.00 13.10 N ATOM 1550 CA HIS A 99 31.961 7.900 -47.196 1.00 52.21 C ATOM 1551 C HIS A 99 31.552 8.236 -48.642 1.00 51.14 C ATOM 1552 O HIS A 99 30.530 8.932 -48.837 1.00 35.92 O ATOM 1553 CB HIS A 99 33.426 8.297 -46.959 1.00 40.41 C ATOM 1554 CG HIS A 99 33.863 8.181 -45.531 1.00 14.14 C ATOM 1555 ND1 HIS A 99 33.833 9.238 -44.650 1.00 61.31 N ATOM 1556 CD2 HIS A 99 34.345 7.127 -44.830 1.00 61.43 C ATOM 1557 CE1 HIS A 99 34.281 8.845 -43.476 1.00 62.03 C ATOM 1558 NE2 HIS A 99 34.600 7.569 -43.555 1.00 43.11 N ATOM 1559 OXT HIS A 99 32.260 7.801 -49.576 1.00 35.92 O ATOM 0 H HIS A 99 32.305 5.845 -47.501 1.00 13.10 H new ATOM 0 HA HIS A 99 31.324 8.469 -46.519 1.00 52.21 H new ATOM 0 HB2 HIS A 99 34.067 7.668 -47.577 1.00 40.41 H new ATOM 0 HB3 HIS A 99 33.572 9.325 -47.291 1.00 40.41 H new ATOM 0 HD2 HIS A 99 34.500 6.126 -45.204 1.00 61.43 H new ATOM 0 HE1 HIS A 99 34.372 9.464 -42.596 1.00 62.03 H new ATOM 0 HE2 HIS A 99 34.975 7.003 -42.794 1.00 43.11 H new TER 1568 HIS A 99