USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=22 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 16 HIS : no HE2:sc= -0.0779 K(o=-0.097,f=-3.5!) USER MOD Set 1.2: A 21 ASN : amide:sc= -0.0193 X(o=-0.097,f=-0.069) USER MOD Set 2.1: A 10 TYR OH : rot 180:sc= -0.361 USER MOD Set 2.2: A 14 GLN : amide:sc= -0.049 K(o=-1.4,f=-0.25) USER MOD Set 2.3: A 45 HIS : no HD1:sc= -0.948 X(o=-1.4,f=-0.92) USER MOD Single : A 1 GLU N :NH3+ -164:sc= -0.353 (180deg=-1.04!) USER MOD Single : A 8 THR OG1 : rot -170:sc= -0.45 USER MOD Single : A 18 LYS NZ :NH3+ 149:sc= 1.25 (180deg=0.816) USER MOD Single : A 19 HIS : no HD1:sc= -0.926 K(o=-0.93,f=0.24) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 91:sc= 1.45 USER MOD Single : A 39 TYR OH : rot 133:sc= 1.22 USER MOD Single : A 42 THR OG1 : rot 160:sc=-0.00857 USER MOD Single : A 43 TYR OH : rot 24:sc= 0.791 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 151:sc= -1.35 (180deg=-2.58!) USER MOD Single : A 50 TYR OH : rot 19:sc= 0.552 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 78:sc= 1.02 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.0289 USER MOD Single : A 65 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.16) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 76 GLN : amide:sc= -2.7 K(o=-2.7,f=-1.5) 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= -0.846 K(o=-0.85,f=-0.23) USER MOD Single : A 86 LYS NZ :NH3+ -178:sc= 0.736 (180deg=0.679) USER MOD Single : A 88 LYS NZ :NH3+ -156:sc= 0.452 (180deg=0.201) USER MOD Single : A 94 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.2) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) 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 HE2:sc= 1.14 K(o=1.1,f=-3.4!) USER MOD Single : A 99 HIS : no HE2:sc= 0.502 K(o=0.5,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 0.750 1.755 -1.451 1.00 45.10 N ATOM 2 CA GLU A 1 2.076 1.443 -2.058 1.00 60.42 C ATOM 3 C GLU A 1 2.048 0.086 -2.777 1.00 72.43 C ATOM 4 O GLU A 1 2.102 -0.968 -2.143 1.00 21.21 O ATOM 5 CB GLU A 1 3.189 1.448 -0.992 1.00 51.31 C ATOM 6 CG GLU A 1 3.458 2.813 -0.358 1.00 63.11 C ATOM 7 CD GLU A 1 2.304 3.311 0.496 1.00 50.31 C ATOM 8 OE1 GLU A 1 2.213 2.912 1.673 1.00 14.21 O ATOM 9 OE2 GLU A 1 1.465 4.078 -0.019 1.00 63.44 O ATOM 0 H1 GLU A 1 0.706 2.767 -1.213 1.00 45.10 H new ATOM 0 H2 GLU A 1 -0.005 1.526 -2.129 1.00 45.10 H new ATOM 0 H3 GLU A 1 0.622 1.191 -0.587 1.00 45.10 H new ATOM 0 HA GLU A 1 2.291 2.222 -2.790 1.00 60.42 H new ATOM 0 HB2 GLU A 1 2.923 0.743 -0.205 1.00 51.31 H new ATOM 0 HB3 GLU A 1 4.111 1.085 -1.447 1.00 51.31 H new ATOM 0 HG2 GLU A 1 4.356 2.751 0.256 1.00 63.11 H new ATOM 0 HG3 GLU A 1 3.660 3.539 -1.145 1.00 63.11 H new ATOM 18 N ASP A 2 1.951 0.126 -4.102 1.00 41.42 N ATOM 19 CA ASP A 2 1.863 -1.082 -4.930 1.00 61.05 C ATOM 20 C ASP A 2 2.723 -0.930 -6.200 1.00 41.30 C ATOM 21 O ASP A 2 3.046 0.189 -6.604 1.00 2.34 O ATOM 22 CB ASP A 2 0.400 -1.338 -5.317 1.00 12.44 C ATOM 23 CG ASP A 2 -0.505 -1.476 -4.105 1.00 74.43 C ATOM 24 OD1 ASP A 2 -0.648 -2.601 -3.587 1.00 11.24 O ATOM 25 OD2 ASP A 2 -1.065 -0.454 -3.656 1.00 72.04 O ATOM 0 H ASP A 2 1.931 0.995 -4.636 1.00 41.42 H new ATOM 0 HA ASP A 2 2.239 -1.929 -4.356 1.00 61.05 H new ATOM 0 HB2 ASP A 2 0.044 -0.519 -5.941 1.00 12.44 H new ATOM 0 HB3 ASP A 2 0.340 -2.246 -5.917 1.00 12.44 H new ATOM 30 N PRO A 3 3.104 -2.046 -6.859 1.00 11.31 N ATOM 31 CA PRO A 3 3.928 -2.000 -8.087 1.00 2.13 C ATOM 32 C PRO A 3 3.254 -1.270 -9.269 1.00 0.34 C ATOM 33 O PRO A 3 3.839 -1.156 -10.346 1.00 14.34 O ATOM 34 CB PRO A 3 4.163 -3.482 -8.424 1.00 3.11 C ATOM 35 CG PRO A 3 3.080 -4.219 -7.711 1.00 2.04 C ATOM 36 CD PRO A 3 2.794 -3.432 -6.460 1.00 71.12 C ATOM 0 HA PRO A 3 4.843 -1.432 -7.919 1.00 2.13 H new ATOM 0 HB2 PRO A 3 4.115 -3.654 -9.499 1.00 3.11 H new ATOM 0 HB3 PRO A 3 5.148 -3.810 -8.092 1.00 3.11 H new ATOM 0 HG2 PRO A 3 2.189 -4.300 -8.333 1.00 2.04 H new ATOM 0 HG3 PRO A 3 3.393 -5.235 -7.470 1.00 2.04 H new ATOM 0 HD2 PRO A 3 1.756 -3.538 -6.145 1.00 71.12 H new ATOM 0 HD3 PRO A 3 3.415 -3.760 -5.626 1.00 71.12 H new ATOM 44 N GLU A 4 2.026 -0.783 -9.074 1.00 64.44 N ATOM 45 CA GLU A 4 1.329 -0.006 -10.109 1.00 30.13 C ATOM 46 C GLU A 4 1.623 1.501 -9.988 1.00 4.40 C ATOM 47 O GLU A 4 1.379 2.263 -10.925 1.00 14.40 O ATOM 48 CB GLU A 4 -0.185 -0.260 -10.049 1.00 43.23 C ATOM 49 CG GLU A 4 -0.576 -1.706 -10.335 1.00 53.03 C ATOM 50 CD GLU A 4 -2.082 -1.903 -10.431 1.00 74.45 C ATOM 51 OE1 GLU A 4 -2.727 -2.143 -9.388 1.00 73.32 O ATOM 52 OE2 GLU A 4 -2.629 -1.820 -11.555 1.00 4.40 O ATOM 0 H GLU A 4 1.493 -0.911 -8.214 1.00 64.44 H new ATOM 0 HA GLU A 4 1.706 -0.341 -11.075 1.00 30.13 H new ATOM 0 HB2 GLU A 4 -0.552 0.018 -9.061 1.00 43.23 H new ATOM 0 HB3 GLU A 4 -0.682 0.391 -10.768 1.00 43.23 H new ATOM 0 HG2 GLU A 4 -0.112 -2.025 -11.269 1.00 53.03 H new ATOM 0 HG3 GLU A 4 -0.180 -2.347 -9.547 1.00 53.03 H new ATOM 59 N ASP A 5 2.149 1.927 -8.837 1.00 41.51 N ATOM 60 CA ASP A 5 2.518 3.334 -8.624 1.00 64.41 C ATOM 61 C ASP A 5 3.770 3.714 -9.439 1.00 32.22 C ATOM 62 O ASP A 5 4.685 2.902 -9.588 1.00 42.21 O ATOM 63 CB ASP A 5 2.752 3.601 -7.134 1.00 62.01 C ATOM 64 CG ASP A 5 1.486 3.430 -6.315 1.00 73.33 C ATOM 65 OD1 ASP A 5 0.578 4.277 -6.436 1.00 70.41 O ATOM 66 OD2 ASP A 5 1.391 2.451 -5.553 1.00 12.24 O ATOM 0 H ASP A 5 2.330 1.320 -8.037 1.00 41.51 H new ATOM 0 HA ASP A 5 1.692 3.955 -8.970 1.00 64.41 H new ATOM 0 HB2 ASP A 5 3.518 2.922 -6.761 1.00 62.01 H new ATOM 0 HB3 ASP A 5 3.133 4.614 -7.004 1.00 62.01 H new ATOM 71 N PRO A 6 3.837 4.966 -9.948 1.00 53.44 N ATOM 72 CA PRO A 6 4.879 5.406 -10.904 1.00 1.11 C ATOM 73 C PRO A 6 6.320 5.103 -10.449 1.00 74.32 C ATOM 74 O PRO A 6 7.101 4.500 -11.189 1.00 20.15 O ATOM 75 CB PRO A 6 4.650 6.928 -11.020 1.00 74.11 C ATOM 76 CG PRO A 6 3.754 7.283 -9.878 1.00 53.14 C ATOM 77 CD PRO A 6 2.914 6.065 -9.621 1.00 34.23 C ATOM 0 HA PRO A 6 4.788 4.869 -11.848 1.00 1.11 H new ATOM 0 HB2 PRO A 6 5.593 7.472 -10.964 1.00 74.11 H new ATOM 0 HB3 PRO A 6 4.190 7.184 -11.974 1.00 74.11 H new ATOM 0 HG2 PRO A 6 4.334 7.551 -8.995 1.00 53.14 H new ATOM 0 HG3 PRO A 6 3.131 8.143 -10.123 1.00 53.14 H new ATOM 0 HD2 PRO A 6 2.576 6.016 -8.586 1.00 34.23 H new ATOM 0 HD3 PRO A 6 2.023 6.047 -10.249 1.00 34.23 H new ATOM 85 N PHE A 7 6.672 5.517 -9.236 1.00 2.55 N ATOM 86 CA PHE A 7 8.033 5.316 -8.728 1.00 22.31 C ATOM 87 C PHE A 7 8.275 3.841 -8.363 1.00 73.42 C ATOM 88 O PHE A 7 9.392 3.335 -8.483 1.00 3.23 O ATOM 89 CB PHE A 7 8.288 6.222 -7.512 1.00 51.32 C ATOM 90 CG PHE A 7 9.704 6.166 -6.991 1.00 30.31 C ATOM 91 CD1 PHE A 7 10.719 6.865 -7.629 1.00 30.10 C ATOM 92 CD2 PHE A 7 10.019 5.417 -5.864 1.00 41.41 C ATOM 93 CE1 PHE A 7 12.017 6.818 -7.155 1.00 30.20 C ATOM 94 CE2 PHE A 7 11.316 5.367 -5.387 1.00 40.33 C ATOM 95 CZ PHE A 7 12.316 6.067 -6.033 1.00 22.32 C ATOM 0 H PHE A 7 6.043 5.990 -8.588 1.00 2.55 H new ATOM 0 HA PHE A 7 8.734 5.585 -9.518 1.00 22.31 H new ATOM 0 HB2 PHE A 7 8.052 7.251 -7.783 1.00 51.32 H new ATOM 0 HB3 PHE A 7 7.605 5.938 -6.711 1.00 51.32 H new ATOM 0 HD1 PHE A 7 10.492 7.453 -8.506 1.00 30.10 H new ATOM 0 HD2 PHE A 7 9.242 4.867 -5.354 1.00 41.41 H new ATOM 0 HE1 PHE A 7 12.797 7.368 -7.661 1.00 30.20 H new ATOM 0 HE2 PHE A 7 11.547 4.781 -4.510 1.00 40.33 H new ATOM 0 HZ PHE A 7 13.330 6.028 -5.663 1.00 22.32 H new ATOM 105 N THR A 8 7.217 3.152 -7.937 1.00 3.12 N ATOM 106 CA THR A 8 7.320 1.745 -7.530 1.00 14.25 C ATOM 107 C THR A 8 7.625 0.832 -8.731 1.00 72.25 C ATOM 108 O THR A 8 8.601 0.083 -8.716 1.00 34.24 O ATOM 109 CB THR A 8 6.024 1.252 -6.842 1.00 62.12 C ATOM 110 OG1 THR A 8 5.574 2.215 -5.877 1.00 1.41 O ATOM 111 CG2 THR A 8 6.252 -0.089 -6.149 1.00 53.45 C ATOM 0 H THR A 8 6.277 3.542 -7.864 1.00 3.12 H new ATOM 0 HA THR A 8 8.144 1.691 -6.818 1.00 14.25 H new ATOM 0 HB THR A 8 5.263 1.127 -7.612 1.00 62.12 H new ATOM 0 HG1 THR A 8 4.851 1.827 -5.341 1.00 1.41 H new ATOM 0 HG21 THR A 8 5.327 -0.414 -5.673 1.00 53.45 H new ATOM 0 HG22 THR A 8 6.562 -0.831 -6.885 1.00 53.45 H new ATOM 0 HG23 THR A 8 7.030 0.020 -5.393 1.00 53.45 H new ATOM 119 N ARG A 9 6.789 0.901 -9.770 1.00 62.03 N ATOM 120 CA ARG A 9 7.012 0.126 -11.006 1.00 1.23 C ATOM 121 C ARG A 9 8.395 0.422 -11.612 1.00 23.50 C ATOM 122 O ARG A 9 9.051 -0.466 -12.159 1.00 30.42 O ATOM 123 CB ARG A 9 5.895 0.419 -12.023 1.00 10.11 C ATOM 124 CG ARG A 9 5.625 1.907 -12.245 1.00 1.02 C ATOM 125 CD ARG A 9 4.238 2.169 -12.837 1.00 31.42 C ATOM 126 NE ARG A 9 4.168 1.911 -14.277 1.00 33.12 N ATOM 127 CZ ARG A 9 3.776 0.785 -14.821 1.00 30.44 C ATOM 128 NH1 ARG A 9 3.447 -0.235 -14.093 1.00 24.31 N ATOM 129 NH2 ARG A 9 3.700 0.685 -16.107 1.00 21.21 N ATOM 0 H ARG A 9 5.951 1.483 -9.786 1.00 62.03 H new ATOM 0 HA ARG A 9 6.987 -0.934 -10.752 1.00 1.23 H new ATOM 0 HB2 ARG A 9 6.159 -0.037 -12.977 1.00 10.11 H new ATOM 0 HB3 ARG A 9 4.976 -0.059 -11.684 1.00 10.11 H new ATOM 0 HG2 ARG A 9 5.717 2.435 -11.296 1.00 1.02 H new ATOM 0 HG3 ARG A 9 6.384 2.315 -12.912 1.00 1.02 H new ATOM 0 HD2 ARG A 9 3.507 1.542 -12.326 1.00 31.42 H new ATOM 0 HD3 ARG A 9 3.958 3.205 -12.646 1.00 31.42 H new ATOM 0 HE ARG A 9 4.446 2.666 -14.905 1.00 33.12 H new ATOM 0 HH11 ARG A 9 3.490 -0.171 -13.076 1.00 24.31 H new ATOM 0 HH12 ARG A 9 3.145 -1.102 -14.537 1.00 24.31 H new ATOM 0 HH21 ARG A 9 3.945 1.481 -16.696 1.00 21.21 H new ATOM 0 HH22 ARG A 9 3.395 -0.190 -16.533 1.00 21.21 H new ATOM 143 N TYR A 10 8.826 1.677 -11.500 1.00 2.32 N ATOM 144 CA TYR A 10 10.175 2.082 -11.909 1.00 31.32 C ATOM 145 C TYR A 10 11.254 1.362 -11.075 1.00 32.42 C ATOM 146 O TYR A 10 12.227 0.836 -11.619 1.00 74.14 O ATOM 147 CB TYR A 10 10.312 3.609 -11.773 1.00 11.31 C ATOM 148 CG TYR A 10 11.737 4.134 -11.857 1.00 14.33 C ATOM 149 CD1 TYR A 10 12.470 4.050 -13.038 1.00 24.21 C ATOM 150 CD2 TYR A 10 12.346 4.719 -10.748 1.00 73.34 C ATOM 151 CE1 TYR A 10 13.763 4.533 -13.108 1.00 1.12 C ATOM 152 CE2 TYR A 10 13.636 5.203 -10.814 1.00 25.53 C ATOM 153 CZ TYR A 10 14.338 5.108 -11.994 1.00 22.03 C ATOM 154 OH TYR A 10 15.624 5.587 -12.060 1.00 51.12 O ATOM 0 H TYR A 10 8.258 2.438 -11.127 1.00 2.32 H new ATOM 0 HA TYR A 10 10.325 1.796 -12.950 1.00 31.32 H new ATOM 0 HB2 TYR A 10 9.719 4.083 -12.555 1.00 11.31 H new ATOM 0 HB3 TYR A 10 9.884 3.914 -10.818 1.00 11.31 H new ATOM 0 HD1 TYR A 10 12.022 3.601 -13.912 1.00 24.21 H new ATOM 0 HD2 TYR A 10 11.798 4.795 -9.820 1.00 73.34 H new ATOM 0 HE1 TYR A 10 14.320 4.461 -14.030 1.00 1.12 H new ATOM 0 HE2 TYR A 10 14.092 5.654 -9.945 1.00 25.53 H new ATOM 0 HH TYR A 10 15.879 5.961 -11.191 1.00 51.12 H new ATOM 164 N ALA A 11 11.067 1.339 -9.755 1.00 62.41 N ATOM 165 CA ALA A 11 12.016 0.684 -8.848 1.00 65.23 C ATOM 166 C ALA A 11 12.107 -0.829 -9.115 1.00 32.25 C ATOM 167 O ALA A 11 13.200 -1.377 -9.245 1.00 44.20 O ATOM 168 CB ALA A 11 11.628 0.945 -7.395 1.00 0.12 C ATOM 0 H ALA A 11 10.267 1.766 -9.288 1.00 62.41 H new ATOM 0 HA ALA A 11 13.001 1.112 -9.035 1.00 65.23 H new ATOM 0 HB1 ALA A 11 12.341 0.453 -6.734 1.00 0.12 H new ATOM 0 HB2 ALA A 11 11.636 2.018 -7.203 1.00 0.12 H new ATOM 0 HB3 ALA A 11 10.629 0.551 -7.209 1.00 0.12 H new ATOM 174 N LEU A 12 10.954 -1.497 -9.199 1.00 71.35 N ATOM 175 CA LEU A 12 10.906 -2.941 -9.492 1.00 10.44 C ATOM 176 C LEU A 12 11.615 -3.279 -10.812 1.00 31.24 C ATOM 177 O LEU A 12 12.263 -4.322 -10.930 1.00 32.32 O ATOM 178 CB LEU A 12 9.451 -3.443 -9.535 1.00 42.44 C ATOM 179 CG LEU A 12 8.835 -3.823 -8.175 1.00 30.12 C ATOM 180 CD1 LEU A 12 9.601 -4.985 -7.538 1.00 71.42 C ATOM 181 CD2 LEU A 12 8.791 -2.624 -7.228 1.00 43.42 C ATOM 0 H LEU A 12 10.039 -1.066 -9.069 1.00 71.35 H new ATOM 0 HA LEU A 12 11.434 -3.449 -8.685 1.00 10.44 H new ATOM 0 HB2 LEU A 12 8.832 -2.669 -9.990 1.00 42.44 H new ATOM 0 HB3 LEU A 12 9.405 -4.313 -10.190 1.00 42.44 H new ATOM 0 HG LEU A 12 7.809 -4.143 -8.355 1.00 30.12 H new ATOM 0 HD11 LEU A 12 9.149 -5.236 -6.579 1.00 71.42 H new ATOM 0 HD12 LEU A 12 9.560 -5.852 -8.197 1.00 71.42 H new ATOM 0 HD13 LEU A 12 10.640 -4.695 -7.384 1.00 71.42 H new ATOM 0 HD21 LEU A 12 8.351 -2.927 -6.278 1.00 43.42 H new ATOM 0 HD22 LEU A 12 9.803 -2.257 -7.058 1.00 43.42 H new ATOM 0 HD23 LEU A 12 8.187 -1.832 -7.671 1.00 43.42 H new ATOM 193 N ALA A 13 11.481 -2.403 -11.806 1.00 31.51 N ATOM 194 CA ALA A 13 12.188 -2.570 -13.079 1.00 43.24 C ATOM 195 C ALA A 13 13.708 -2.662 -12.857 1.00 53.53 C ATOM 196 O ALA A 13 14.370 -3.572 -13.367 1.00 4.45 O ATOM 197 CB ALA A 13 11.849 -1.422 -14.024 1.00 30.44 C ATOM 0 H ALA A 13 10.892 -1.572 -11.757 1.00 31.51 H new ATOM 0 HA ALA A 13 11.860 -3.505 -13.534 1.00 43.24 H new ATOM 0 HB1 ALA A 13 12.380 -1.557 -14.966 1.00 30.44 H new ATOM 0 HB2 ALA A 13 10.775 -1.410 -14.211 1.00 30.44 H new ATOM 0 HB3 ALA A 13 12.149 -0.477 -13.571 1.00 30.44 H new ATOM 203 N GLN A 14 14.250 -1.725 -12.076 1.00 71.32 N ATOM 204 CA GLN A 14 15.677 -1.727 -11.729 1.00 33.12 C ATOM 205 C GLN A 14 16.047 -2.936 -10.852 1.00 32.04 C ATOM 206 O GLN A 14 17.115 -3.529 -11.015 1.00 31.33 O ATOM 207 CB GLN A 14 16.054 -0.420 -11.019 1.00 13.45 C ATOM 208 CG GLN A 14 15.923 0.814 -11.905 1.00 74.43 C ATOM 209 CD GLN A 14 16.332 2.094 -11.201 1.00 13.12 C ATOM 210 OE1 GLN A 14 16.161 2.243 -9.999 1.00 42.34 O ATOM 211 NE2 GLN A 14 16.895 3.023 -11.943 1.00 14.42 N ATOM 0 H GLN A 14 13.722 -0.952 -11.670 1.00 71.32 H new ATOM 0 HA GLN A 14 16.243 -1.806 -12.657 1.00 33.12 H new ATOM 0 HB2 GLN A 14 15.419 -0.296 -10.142 1.00 13.45 H new ATOM 0 HB3 GLN A 14 17.081 -0.493 -10.662 1.00 13.45 H new ATOM 0 HG2 GLN A 14 16.538 0.683 -12.795 1.00 74.43 H new ATOM 0 HG3 GLN A 14 14.890 0.905 -12.242 1.00 74.43 H new ATOM 0 HE21 GLN A 14 17.024 2.869 -12.943 1.00 14.42 H new ATOM 0 HE22 GLN A 14 17.203 3.898 -11.518 1.00 14.42 H new ATOM 220 N GLU A 15 15.158 -3.298 -9.928 1.00 55.44 N ATOM 221 CA GLU A 15 15.345 -4.495 -9.098 1.00 1.22 C ATOM 222 C GLU A 15 15.538 -5.741 -9.973 1.00 21.03 C ATOM 223 O GLU A 15 16.427 -6.558 -9.728 1.00 11.23 O ATOM 224 CB GLU A 15 14.142 -4.689 -8.159 1.00 61.15 C ATOM 225 CG GLU A 15 14.037 -3.642 -7.052 1.00 64.24 C ATOM 226 CD GLU A 15 15.179 -3.726 -6.047 1.00 4.14 C ATOM 227 OE1 GLU A 15 15.117 -4.586 -5.139 1.00 50.23 O ATOM 228 OE2 GLU A 15 16.144 -2.944 -6.161 1.00 72.15 O ATOM 0 H GLU A 15 14.300 -2.782 -9.733 1.00 55.44 H new ATOM 0 HA GLU A 15 16.243 -4.354 -8.496 1.00 1.22 H new ATOM 0 HB2 GLU A 15 13.227 -4.669 -8.751 1.00 61.15 H new ATOM 0 HB3 GLU A 15 14.206 -5.677 -7.704 1.00 61.15 H new ATOM 0 HG2 GLU A 15 14.025 -2.648 -7.499 1.00 64.24 H new ATOM 0 HG3 GLU A 15 13.089 -3.767 -6.529 1.00 64.24 H new ATOM 235 N HIS A 16 14.712 -5.873 -11.009 1.00 52.23 N ATOM 236 CA HIS A 16 14.848 -6.978 -11.958 1.00 13.21 C ATOM 237 C HIS A 16 16.204 -6.935 -12.687 1.00 44.52 C ATOM 238 O HIS A 16 16.828 -7.973 -12.893 1.00 42.43 O ATOM 239 CB HIS A 16 13.686 -6.985 -12.959 1.00 74.42 C ATOM 240 CG HIS A 16 12.422 -7.562 -12.391 1.00 61.44 C ATOM 241 ND1 HIS A 16 12.211 -8.919 -12.268 1.00 53.35 N ATOM 242 CD2 HIS A 16 11.307 -6.967 -11.900 1.00 62.34 C ATOM 243 CE1 HIS A 16 11.027 -9.133 -11.731 1.00 32.22 C ATOM 244 NE2 HIS A 16 10.459 -7.968 -11.496 1.00 2.22 N ATOM 0 H HIS A 16 13.945 -5.232 -11.213 1.00 52.23 H new ATOM 0 HA HIS A 16 14.812 -7.907 -11.389 1.00 13.21 H new ATOM 0 HB2 HIS A 16 13.495 -5.965 -13.292 1.00 74.42 H new ATOM 0 HB3 HIS A 16 13.976 -7.558 -13.839 1.00 74.42 H new ATOM 0 HD1 HIS A 16 12.870 -9.645 -12.549 1.00 53.35 H new ATOM 0 HD2 HIS A 16 11.121 -5.905 -11.838 1.00 62.34 H new ATOM 0 HE1 HIS A 16 10.595 -10.100 -11.519 1.00 32.22 H new ATOM 253 N LEU A 17 16.664 -5.737 -13.057 1.00 72.23 N ATOM 254 CA LEU A 17 18.003 -5.577 -13.652 1.00 70.15 C ATOM 255 C LEU A 17 19.094 -6.087 -12.699 1.00 62.35 C ATOM 256 O LEU A 17 20.071 -6.708 -13.123 1.00 24.11 O ATOM 257 CB LEU A 17 18.270 -4.105 -14.006 1.00 52.33 C ATOM 258 CG LEU A 17 17.427 -3.538 -15.161 1.00 23.44 C ATOM 259 CD1 LEU A 17 17.720 -2.053 -15.368 1.00 23.12 C ATOM 260 CD2 LEU A 17 17.678 -4.326 -16.448 1.00 21.11 C ATOM 0 H LEU A 17 16.139 -4.868 -12.958 1.00 72.23 H new ATOM 0 HA LEU A 17 18.031 -6.171 -14.565 1.00 70.15 H new ATOM 0 HB2 LEU A 17 18.093 -3.498 -13.118 1.00 52.33 H new ATOM 0 HB3 LEU A 17 19.324 -3.996 -14.261 1.00 52.33 H new ATOM 0 HG LEU A 17 16.374 -3.641 -14.898 1.00 23.44 H new ATOM 0 HD11 LEU A 17 17.113 -1.673 -16.190 1.00 23.12 H new ATOM 0 HD12 LEU A 17 17.481 -1.505 -14.457 1.00 23.12 H new ATOM 0 HD13 LEU A 17 18.775 -1.920 -15.605 1.00 23.12 H new ATOM 0 HD21 LEU A 17 17.073 -3.910 -17.253 1.00 21.11 H new ATOM 0 HD22 LEU A 17 18.733 -4.260 -16.715 1.00 21.11 H new ATOM 0 HD23 LEU A 17 17.408 -5.371 -16.294 1.00 21.11 H new ATOM 272 N LYS A 18 18.913 -5.822 -11.408 1.00 64.44 N ATOM 273 CA LYS A 18 19.825 -6.316 -10.369 1.00 72.33 C ATOM 274 C LYS A 18 19.789 -7.851 -10.276 1.00 22.22 C ATOM 275 O LYS A 18 20.789 -8.494 -9.956 1.00 24.41 O ATOM 276 CB LYS A 18 19.453 -5.693 -9.020 1.00 22.24 C ATOM 277 CG LYS A 18 19.583 -4.173 -8.997 1.00 2.24 C ATOM 278 CD LYS A 18 18.881 -3.558 -7.792 1.00 52.43 C ATOM 279 CE LYS A 18 19.388 -4.130 -6.474 1.00 34.52 C ATOM 280 NZ LYS A 18 18.684 -3.534 -5.311 1.00 31.41 N ATOM 0 H LYS A 18 18.138 -5.264 -11.050 1.00 64.44 H new ATOM 0 HA LYS A 18 20.841 -6.025 -10.636 1.00 72.33 H new ATOM 0 HB2 LYS A 18 18.427 -5.966 -8.773 1.00 22.24 H new ATOM 0 HB3 LYS A 18 20.091 -6.116 -8.244 1.00 22.24 H new ATOM 0 HG2 LYS A 18 20.638 -3.900 -8.980 1.00 2.24 H new ATOM 0 HG3 LYS A 18 19.161 -3.759 -9.913 1.00 2.24 H new ATOM 0 HD2 LYS A 18 19.031 -2.478 -7.799 1.00 52.43 H new ATOM 0 HD3 LYS A 18 17.808 -3.731 -7.872 1.00 52.43 H new ATOM 0 HE2 LYS A 18 19.249 -5.211 -6.469 1.00 34.52 H new ATOM 0 HE3 LYS A 18 20.459 -3.946 -6.385 1.00 34.52 H new ATOM 0 HZ1 LYS A 18 18.630 -4.233 -4.543 1.00 31.41 H new ATOM 0 HZ2 LYS A 18 19.205 -2.697 -4.982 1.00 31.41 H new ATOM 0 HZ3 LYS A 18 17.723 -3.255 -5.593 1.00 31.41 H new ATOM 294 N HIS A 19 18.624 -8.432 -10.561 1.00 12.32 N ATOM 295 CA HIS A 19 18.472 -9.892 -10.622 1.00 73.43 C ATOM 296 C HIS A 19 18.803 -10.428 -12.029 1.00 31.31 C ATOM 297 O HIS A 19 18.518 -11.584 -12.346 1.00 75.23 O ATOM 298 CB HIS A 19 17.042 -10.295 -10.224 1.00 50.42 C ATOM 299 CG HIS A 19 16.728 -10.070 -8.773 1.00 53.22 C ATOM 300 ND1 HIS A 19 16.297 -11.074 -7.933 1.00 73.14 N ATOM 301 CD2 HIS A 19 16.773 -8.949 -8.013 1.00 63.53 C ATOM 302 CE1 HIS A 19 16.089 -10.585 -6.730 1.00 40.40 C ATOM 303 NE2 HIS A 19 16.370 -9.300 -6.750 1.00 73.15 N ATOM 0 H HIS A 19 17.766 -7.915 -10.755 1.00 12.32 H new ATOM 0 HA HIS A 19 19.176 -10.334 -9.917 1.00 73.43 H new ATOM 0 HB2 HIS A 19 16.334 -9.731 -10.831 1.00 50.42 H new ATOM 0 HB3 HIS A 19 16.893 -11.349 -10.459 1.00 50.42 H new ATOM 0 HD2 HIS A 19 17.070 -7.964 -8.341 1.00 63.53 H new ATOM 0 HE1 HIS A 19 15.746 -11.143 -5.872 1.00 40.40 H new ATOM 0 HE2 HIS A 19 16.299 -8.666 -5.954 1.00 73.15 H new ATOM 312 N ASP A 20 19.393 -9.567 -12.865 1.00 31.22 N ATOM 313 CA ASP A 20 19.825 -9.928 -14.227 1.00 33.43 C ATOM 314 C ASP A 20 18.629 -10.216 -15.165 1.00 14.21 C ATOM 315 O ASP A 20 18.798 -10.711 -16.283 1.00 14.22 O ATOM 316 CB ASP A 20 20.795 -11.120 -14.175 1.00 63.41 C ATOM 317 CG ASP A 20 21.544 -11.325 -15.480 1.00 63.53 C ATOM 318 OD1 ASP A 20 22.309 -10.420 -15.879 1.00 41.33 O ATOM 319 OD2 ASP A 20 21.381 -12.389 -16.115 1.00 24.24 O ATOM 0 H ASP A 20 19.587 -8.596 -12.619 1.00 31.22 H new ATOM 0 HA ASP A 20 20.347 -9.069 -14.649 1.00 33.43 H new ATOM 0 HB2 ASP A 20 21.513 -10.964 -13.370 1.00 63.41 H new ATOM 0 HB3 ASP A 20 20.238 -12.026 -13.934 1.00 63.41 H new ATOM 324 N ASN A 21 17.423 -9.882 -14.714 1.00 52.50 N ATOM 325 CA ASN A 21 16.218 -10.000 -15.543 1.00 35.11 C ATOM 326 C ASN A 21 16.160 -8.871 -16.587 1.00 34.11 C ATOM 327 O ASN A 21 15.267 -8.025 -16.548 1.00 14.44 O ATOM 328 CB ASN A 21 14.961 -9.946 -14.665 1.00 62.15 C ATOM 329 CG ASN A 21 14.856 -11.093 -13.679 1.00 21.34 C ATOM 330 OD1 ASN A 21 14.436 -10.905 -12.542 1.00 3.11 O ATOM 331 ND2 ASN A 21 15.179 -12.293 -14.114 1.00 51.13 N ATOM 0 H ASN A 21 17.250 -9.525 -13.774 1.00 52.50 H new ATOM 0 HA ASN A 21 16.258 -10.958 -16.061 1.00 35.11 H new ATOM 0 HB2 ASN A 21 14.953 -9.005 -14.116 1.00 62.15 H new ATOM 0 HB3 ASN A 21 14.080 -9.949 -15.307 1.00 62.15 H new ATOM 0 HD21 ASN A 21 15.083 -13.101 -13.499 1.00 51.13 H new ATOM 0 HD22 ASN A 21 15.525 -12.414 -15.066 1.00 51.13 H new ATOM 338 N ALA A 22 17.113 -8.867 -17.517 1.00 51.55 N ATOM 339 CA ALA A 22 17.199 -7.821 -18.541 1.00 11.01 C ATOM 340 C ALA A 22 15.933 -7.770 -19.412 1.00 43.23 C ATOM 341 O ALA A 22 15.359 -6.703 -19.629 1.00 54.33 O ATOM 342 CB ALA A 22 18.435 -8.044 -19.405 1.00 51.33 C ATOM 0 H ALA A 22 17.841 -9.579 -17.585 1.00 51.55 H new ATOM 0 HA ALA A 22 17.282 -6.859 -18.035 1.00 11.01 H new ATOM 0 HB1 ALA A 22 18.494 -7.264 -20.164 1.00 51.33 H new ATOM 0 HB2 ALA A 22 19.327 -8.010 -18.780 1.00 51.33 H new ATOM 0 HB3 ALA A 22 18.369 -9.018 -19.890 1.00 51.33 H new ATOM 348 N SER A 23 15.499 -8.932 -19.897 1.00 72.35 N ATOM 349 CA SER A 23 14.302 -9.024 -20.749 1.00 74.23 C ATOM 350 C SER A 23 13.029 -8.617 -19.988 1.00 13.23 C ATOM 351 O SER A 23 12.219 -7.829 -20.482 1.00 1.52 O ATOM 352 CB SER A 23 14.142 -10.451 -21.294 1.00 55.13 C ATOM 353 OG SER A 23 12.991 -10.567 -22.119 1.00 30.34 O ATOM 0 H SER A 23 15.955 -9.827 -19.718 1.00 72.35 H new ATOM 0 HA SER A 23 14.439 -8.330 -21.578 1.00 74.23 H new ATOM 0 HB2 SER A 23 15.029 -10.725 -21.865 1.00 55.13 H new ATOM 0 HB3 SER A 23 14.068 -11.153 -20.463 1.00 55.13 H new ATOM 0 HG SER A 23 12.918 -11.486 -22.451 1.00 30.34 H new ATOM 359 N ARG A 24 12.861 -9.154 -18.779 1.00 53.11 N ATOM 360 CA ARG A 24 11.687 -8.842 -17.951 1.00 1.05 C ATOM 361 C ARG A 24 11.646 -7.354 -17.567 1.00 34.10 C ATOM 362 O ARG A 24 10.588 -6.724 -17.592 1.00 14.33 O ATOM 363 CB ARG A 24 11.674 -9.710 -16.684 1.00 53.55 C ATOM 364 CG ARG A 24 11.604 -11.212 -16.961 1.00 70.34 C ATOM 365 CD ARG A 24 10.416 -11.575 -17.850 1.00 71.12 C ATOM 366 NE ARG A 24 10.295 -13.018 -18.044 1.00 44.15 N ATOM 367 CZ ARG A 24 9.864 -13.588 -19.139 1.00 2.23 C ATOM 368 NH1 ARG A 24 9.500 -12.881 -20.159 1.00 74.43 N ATOM 369 NH2 ARG A 24 9.804 -14.874 -19.207 1.00 34.32 N ATOM 0 H ARG A 24 13.518 -9.805 -18.349 1.00 53.11 H new ATOM 0 HA ARG A 24 10.800 -9.063 -18.545 1.00 1.05 H new ATOM 0 HB2 ARG A 24 12.571 -9.499 -16.102 1.00 53.55 H new ATOM 0 HB3 ARG A 24 10.821 -9.424 -16.069 1.00 53.55 H new ATOM 0 HG2 ARG A 24 12.528 -11.536 -17.440 1.00 70.34 H new ATOM 0 HG3 ARG A 24 11.529 -11.752 -16.017 1.00 70.34 H new ATOM 0 HD2 ARG A 24 9.499 -11.192 -17.403 1.00 71.12 H new ATOM 0 HD3 ARG A 24 10.526 -11.087 -18.819 1.00 71.12 H new ATOM 0 HE ARG A 24 10.566 -13.624 -17.270 1.00 44.15 H new ATOM 0 HH11 ARG A 24 9.547 -11.863 -20.117 1.00 74.43 H new ATOM 0 HH12 ARG A 24 9.166 -13.341 -21.006 1.00 74.43 H new ATOM 0 HH21 ARG A 24 10.092 -15.441 -18.409 1.00 34.32 H new ATOM 0 HH22 ARG A 24 9.469 -15.325 -20.058 1.00 34.32 H new ATOM 383 N ALA A 25 12.804 -6.797 -17.215 1.00 25.12 N ATOM 384 CA ALA A 25 12.904 -5.375 -16.877 1.00 1.15 C ATOM 385 C ALA A 25 12.644 -4.495 -18.105 1.00 34.52 C ATOM 386 O ALA A 25 11.998 -3.454 -18.007 1.00 10.02 O ATOM 387 CB ALA A 25 14.270 -5.063 -16.282 1.00 32.11 C ATOM 0 H ALA A 25 13.686 -7.307 -17.156 1.00 25.12 H new ATOM 0 HA ALA A 25 12.139 -5.153 -16.133 1.00 1.15 H new ATOM 0 HB1 ALA A 25 14.326 -4.002 -16.037 1.00 32.11 H new ATOM 0 HB2 ALA A 25 14.416 -5.653 -15.377 1.00 32.11 H new ATOM 0 HB3 ALA A 25 15.047 -5.310 -17.005 1.00 32.11 H new ATOM 393 N LEU A 26 13.145 -4.927 -19.262 1.00 0.23 N ATOM 394 CA LEU A 26 12.906 -4.218 -20.525 1.00 31.31 C ATOM 395 C LEU A 26 11.402 -4.076 -20.797 1.00 70.41 C ATOM 396 O LEU A 26 10.921 -2.992 -21.120 1.00 1.22 O ATOM 397 CB LEU A 26 13.590 -4.962 -21.684 1.00 71.34 C ATOM 398 CG LEU A 26 13.468 -4.300 -23.070 1.00 5.34 C ATOM 399 CD1 LEU A 26 14.053 -2.890 -23.057 1.00 21.21 C ATOM 400 CD2 LEU A 26 14.153 -5.151 -24.135 1.00 44.35 C ATOM 0 H LEU A 26 13.720 -5.765 -19.354 1.00 0.23 H new ATOM 0 HA LEU A 26 13.332 -3.218 -20.444 1.00 31.31 H new ATOM 0 HB2 LEU A 26 14.648 -5.072 -21.446 1.00 71.34 H new ATOM 0 HB3 LEU A 26 13.171 -5.966 -21.744 1.00 71.34 H new ATOM 0 HG LEU A 26 12.408 -4.226 -23.314 1.00 5.34 H new ATOM 0 HD11 LEU A 26 13.954 -2.446 -24.047 1.00 21.21 H new ATOM 0 HD12 LEU A 26 13.516 -2.280 -22.330 1.00 21.21 H new ATOM 0 HD13 LEU A 26 15.107 -2.936 -22.784 1.00 21.21 H new ATOM 0 HD21 LEU A 26 14.056 -4.666 -25.106 1.00 44.35 H new ATOM 0 HD22 LEU A 26 15.209 -5.261 -23.889 1.00 44.35 H new ATOM 0 HD23 LEU A 26 13.684 -6.134 -24.172 1.00 44.35 H new ATOM 412 N ALA A 27 10.667 -5.177 -20.640 1.00 65.14 N ATOM 413 CA ALA A 27 9.208 -5.167 -20.801 1.00 54.52 C ATOM 414 C ALA A 27 8.535 -4.178 -19.830 1.00 52.12 C ATOM 415 O ALA A 27 7.506 -3.578 -20.151 1.00 20.30 O ATOM 416 CB ALA A 27 8.648 -6.573 -20.606 1.00 23.44 C ATOM 0 H ALA A 27 11.056 -6.089 -20.401 1.00 65.14 H new ATOM 0 HA ALA A 27 8.986 -4.833 -21.814 1.00 54.52 H new ATOM 0 HB1 ALA A 27 7.565 -6.553 -20.728 1.00 23.44 H new ATOM 0 HB2 ALA A 27 9.084 -7.244 -21.346 1.00 23.44 H new ATOM 0 HB3 ALA A 27 8.894 -6.927 -19.605 1.00 23.44 H new ATOM 422 N LEU A 28 9.119 -4.016 -18.641 1.00 22.34 N ATOM 423 CA LEU A 28 8.627 -3.037 -17.661 1.00 43.11 C ATOM 424 C LEU A 28 8.923 -1.595 -18.108 1.00 4.24 C ATOM 425 O LEU A 28 8.028 -0.754 -18.127 1.00 51.33 O ATOM 426 CB LEU A 28 9.240 -3.298 -16.274 1.00 3.12 C ATOM 427 CG LEU A 28 8.716 -4.549 -15.546 1.00 43.42 C ATOM 428 CD1 LEU A 28 9.457 -4.764 -14.228 1.00 71.52 C ATOM 429 CD2 LEU A 28 7.212 -4.439 -15.296 1.00 70.44 C ATOM 0 H LEU A 28 9.932 -4.548 -18.331 1.00 22.34 H new ATOM 0 HA LEU A 28 7.545 -3.156 -17.596 1.00 43.11 H new ATOM 0 HB2 LEU A 28 10.321 -3.388 -16.384 1.00 3.12 H new ATOM 0 HB3 LEU A 28 9.055 -2.428 -15.644 1.00 3.12 H new ATOM 0 HG LEU A 28 8.899 -5.411 -16.187 1.00 43.42 H new ATOM 0 HD11 LEU A 28 9.068 -5.654 -13.733 1.00 71.52 H new ATOM 0 HD12 LEU A 28 10.521 -4.894 -14.426 1.00 71.52 H new ATOM 0 HD13 LEU A 28 9.311 -3.897 -13.583 1.00 71.52 H new ATOM 0 HD21 LEU A 28 6.862 -5.334 -14.781 1.00 70.44 H new ATOM 0 HD22 LEU A 28 7.009 -3.563 -14.680 1.00 70.44 H new ATOM 0 HD23 LEU A 28 6.691 -4.342 -16.248 1.00 70.44 H new ATOM 441 N PHE A 29 10.177 -1.314 -18.470 1.00 52.21 N ATOM 442 CA PHE A 29 10.568 0.027 -18.933 1.00 44.12 C ATOM 443 C PHE A 29 9.784 0.451 -20.188 1.00 13.05 C ATOM 444 O PHE A 29 9.283 1.574 -20.268 1.00 14.54 O ATOM 445 CB PHE A 29 12.075 0.091 -19.212 1.00 14.33 C ATOM 446 CG PHE A 29 12.936 0.148 -17.973 1.00 22.22 C ATOM 447 CD1 PHE A 29 13.021 1.315 -17.227 1.00 34.14 C ATOM 448 CD2 PHE A 29 13.671 -0.956 -17.564 1.00 70.45 C ATOM 449 CE1 PHE A 29 13.818 1.379 -16.100 1.00 62.51 C ATOM 450 CE2 PHE A 29 14.469 -0.897 -16.437 1.00 52.24 C ATOM 451 CZ PHE A 29 14.543 0.272 -15.704 1.00 64.30 C ATOM 0 H PHE A 29 10.939 -1.992 -18.453 1.00 52.21 H new ATOM 0 HA PHE A 29 10.324 0.725 -18.132 1.00 44.12 H new ATOM 0 HB2 PHE A 29 12.361 -0.782 -19.799 1.00 14.33 H new ATOM 0 HB3 PHE A 29 12.282 0.969 -19.824 1.00 14.33 H new ATOM 0 HD1 PHE A 29 12.457 2.184 -17.531 1.00 34.14 H new ATOM 0 HD2 PHE A 29 13.619 -1.872 -18.133 1.00 70.45 H new ATOM 0 HE1 PHE A 29 13.874 2.294 -15.529 1.00 62.51 H new ATOM 0 HE2 PHE A 29 15.034 -1.764 -16.129 1.00 52.24 H new ATOM 0 HZ PHE A 29 15.166 0.320 -14.823 1.00 64.30 H new ATOM 461 N GLU A 30 9.677 -0.448 -21.164 1.00 23.23 N ATOM 462 CA GLU A 30 8.905 -0.172 -22.382 1.00 63.31 C ATOM 463 C GLU A 30 7.416 0.049 -22.052 1.00 10.05 C ATOM 464 O GLU A 30 6.737 0.849 -22.697 1.00 10.50 O ATOM 465 CB GLU A 30 9.089 -1.311 -23.402 1.00 64.50 C ATOM 466 CG GLU A 30 10.538 -1.466 -23.874 1.00 31.44 C ATOM 467 CD GLU A 30 10.717 -2.512 -24.969 1.00 73.12 C ATOM 468 OE1 GLU A 30 10.441 -3.704 -24.714 1.00 52.34 O ATOM 469 OE2 GLU A 30 11.147 -2.145 -26.087 1.00 15.33 O ATOM 0 H GLU A 30 10.111 -1.371 -21.140 1.00 23.23 H new ATOM 0 HA GLU A 30 9.281 0.748 -22.829 1.00 63.31 H new ATOM 0 HB2 GLU A 30 8.756 -2.248 -22.955 1.00 64.50 H new ATOM 0 HB3 GLU A 30 8.450 -1.125 -24.265 1.00 64.50 H new ATOM 0 HG2 GLU A 30 10.896 -0.504 -24.241 1.00 31.44 H new ATOM 0 HG3 GLU A 30 11.162 -1.735 -23.022 1.00 31.44 H new ATOM 476 N GLU A 31 6.920 -0.653 -21.030 1.00 11.31 N ATOM 477 CA GLU A 31 5.562 -0.427 -20.518 1.00 63.11 C ATOM 478 C GLU A 31 5.445 0.967 -19.875 1.00 73.43 C ATOM 479 O GLU A 31 4.462 1.682 -20.082 1.00 54.22 O ATOM 480 CB GLU A 31 5.193 -1.506 -19.487 1.00 35.11 C ATOM 481 CG GLU A 31 3.768 -1.390 -18.948 1.00 33.12 C ATOM 482 CD GLU A 31 3.479 -2.371 -17.820 1.00 55.31 C ATOM 483 OE1 GLU A 31 3.356 -3.583 -18.095 1.00 32.13 O ATOM 484 OE2 GLU A 31 3.367 -1.933 -16.655 1.00 43.15 O ATOM 0 H GLU A 31 7.437 -1.383 -20.539 1.00 11.31 H new ATOM 0 HA GLU A 31 4.870 -0.483 -21.359 1.00 63.11 H new ATOM 0 HB2 GLU A 31 5.319 -2.488 -19.943 1.00 35.11 H new ATOM 0 HB3 GLU A 31 5.892 -1.450 -18.652 1.00 35.11 H new ATOM 0 HG2 GLU A 31 3.602 -0.374 -18.590 1.00 33.12 H new ATOM 0 HG3 GLU A 31 3.062 -1.561 -19.761 1.00 33.12 H new ATOM 491 N LEU A 32 6.465 1.347 -19.101 1.00 20.23 N ATOM 492 CA LEU A 32 6.509 2.662 -18.443 1.00 11.32 C ATOM 493 C LEU A 32 6.307 3.810 -19.446 1.00 25.21 C ATOM 494 O LEU A 32 5.706 4.829 -19.118 1.00 50.22 O ATOM 495 CB LEU A 32 7.847 2.852 -17.713 1.00 21.43 C ATOM 496 CG LEU A 32 8.095 1.926 -16.513 1.00 70.55 C ATOM 497 CD1 LEU A 32 9.501 2.132 -15.951 1.00 10.40 C ATOM 498 CD2 LEU A 32 7.047 2.162 -15.432 1.00 53.23 C ATOM 0 H LEU A 32 7.278 0.761 -18.912 1.00 20.23 H new ATOM 0 HA LEU A 32 5.691 2.689 -17.723 1.00 11.32 H new ATOM 0 HB2 LEU A 32 8.654 2.708 -18.431 1.00 21.43 H new ATOM 0 HB3 LEU A 32 7.907 3.884 -17.369 1.00 21.43 H new ATOM 0 HG LEU A 32 8.013 0.894 -16.855 1.00 70.55 H new ATOM 0 HD11 LEU A 32 9.655 1.466 -15.102 1.00 10.40 H new ATOM 0 HD12 LEU A 32 10.238 1.911 -16.723 1.00 10.40 H new ATOM 0 HD13 LEU A 32 9.615 3.166 -15.626 1.00 10.40 H new ATOM 0 HD21 LEU A 32 7.238 1.498 -14.589 1.00 53.23 H new ATOM 0 HD22 LEU A 32 7.097 3.198 -15.096 1.00 53.23 H new ATOM 0 HD23 LEU A 32 6.055 1.960 -15.836 1.00 53.23 H new ATOM 510 N VAL A 33 6.815 3.637 -20.664 1.00 31.23 N ATOM 511 CA VAL A 33 6.679 4.654 -21.715 1.00 64.31 C ATOM 512 C VAL A 33 5.203 4.913 -22.073 1.00 21.14 C ATOM 513 O VAL A 33 4.772 6.060 -22.169 1.00 4.40 O ATOM 514 CB VAL A 33 7.451 4.242 -22.998 1.00 11.41 C ATOM 515 CG1 VAL A 33 7.334 5.315 -24.083 1.00 53.23 C ATOM 516 CG2 VAL A 33 8.918 3.955 -22.675 1.00 40.05 C ATOM 0 H VAL A 33 7.326 2.803 -20.952 1.00 31.23 H new ATOM 0 HA VAL A 33 7.108 5.573 -21.316 1.00 64.31 H new ATOM 0 HB VAL A 33 6.998 3.328 -23.383 1.00 11.41 H new ATOM 0 HG11 VAL A 33 7.885 4.998 -24.969 1.00 53.23 H new ATOM 0 HG12 VAL A 33 6.285 5.459 -24.340 1.00 53.23 H new ATOM 0 HG13 VAL A 33 7.749 6.253 -23.714 1.00 53.23 H new ATOM 0 HG21 VAL A 33 9.442 3.668 -23.587 1.00 40.05 H new ATOM 0 HG22 VAL A 33 9.380 4.849 -22.257 1.00 40.05 H new ATOM 0 HG23 VAL A 33 8.979 3.143 -21.951 1.00 40.05 H new ATOM 526 N GLU A 34 4.433 3.840 -22.265 1.00 63.10 N ATOM 527 CA GLU A 34 3.020 3.963 -22.662 1.00 54.33 C ATOM 528 C GLU A 34 2.094 4.255 -21.463 1.00 44.12 C ATOM 529 O GLU A 34 1.050 4.894 -21.614 1.00 63.51 O ATOM 530 CB GLU A 34 2.560 2.689 -23.391 1.00 50.52 C ATOM 531 CG GLU A 34 2.668 1.415 -22.559 1.00 22.04 C ATOM 532 CD GLU A 34 2.154 0.186 -23.293 1.00 45.44 C ATOM 533 OE1 GLU A 34 0.938 -0.093 -23.216 1.00 35.34 O ATOM 534 OE2 GLU A 34 2.958 -0.506 -23.950 1.00 25.51 O ATOM 0 H GLU A 34 4.757 2.879 -22.154 1.00 63.10 H new ATOM 0 HA GLU A 34 2.949 4.815 -23.338 1.00 54.33 H new ATOM 0 HB2 GLU A 34 1.524 2.818 -23.704 1.00 50.52 H new ATOM 0 HB3 GLU A 34 3.154 2.569 -24.297 1.00 50.52 H new ATOM 0 HG2 GLU A 34 3.710 1.256 -22.279 1.00 22.04 H new ATOM 0 HG3 GLU A 34 2.105 1.542 -21.634 1.00 22.04 H new ATOM 541 N THR A 35 2.474 3.786 -20.275 1.00 43.52 N ATOM 542 CA THR A 35 1.663 3.991 -19.062 1.00 31.25 C ATOM 543 C THR A 35 1.969 5.334 -18.384 1.00 10.44 C ATOM 544 O THR A 35 1.059 6.063 -17.986 1.00 64.34 O ATOM 545 CB THR A 35 1.883 2.861 -18.028 1.00 42.24 C ATOM 546 OG1 THR A 35 3.257 2.836 -17.601 1.00 33.51 O ATOM 547 CG2 THR A 35 1.501 1.504 -18.612 1.00 25.35 C ATOM 0 H THR A 35 3.335 3.262 -20.120 1.00 43.52 H new ATOM 0 HA THR A 35 0.625 3.985 -19.395 1.00 31.25 H new ATOM 0 HB THR A 35 1.243 3.062 -17.169 1.00 42.24 H new ATOM 0 HG1 THR A 35 3.365 3.407 -16.812 1.00 33.51 H new ATOM 0 HG21 THR A 35 1.665 0.727 -17.865 1.00 25.35 H new ATOM 0 HG22 THR A 35 0.450 1.515 -18.900 1.00 25.35 H new ATOM 0 HG23 THR A 35 2.115 1.299 -19.489 1.00 25.35 H new ATOM 555 N ASP A 36 3.254 5.664 -18.255 1.00 63.11 N ATOM 556 CA ASP A 36 3.679 6.895 -17.571 1.00 31.52 C ATOM 557 C ASP A 36 4.652 7.731 -18.430 1.00 71.01 C ATOM 558 O ASP A 36 5.833 7.858 -18.095 1.00 65.43 O ATOM 559 CB ASP A 36 4.335 6.549 -16.225 1.00 34.01 C ATOM 560 CG ASP A 36 3.416 5.757 -15.311 1.00 1.40 C ATOM 561 OD1 ASP A 36 2.601 6.379 -14.596 1.00 30.04 O ATOM 562 OD2 ASP A 36 3.500 4.508 -15.308 1.00 34.22 O ATOM 0 H ASP A 36 4.023 5.098 -18.614 1.00 63.11 H new ATOM 0 HA ASP A 36 2.788 7.499 -17.402 1.00 31.52 H new ATOM 0 HB2 ASP A 36 5.244 5.975 -16.405 1.00 34.01 H new ATOM 0 HB3 ASP A 36 4.634 7.470 -15.724 1.00 34.01 H new ATOM 567 N PRO A 37 4.169 8.330 -19.542 1.00 63.40 N ATOM 568 CA PRO A 37 5.012 9.154 -20.435 1.00 70.34 C ATOM 569 C PRO A 37 5.608 10.383 -19.725 1.00 35.12 C ATOM 570 O PRO A 37 6.571 10.987 -20.201 1.00 41.03 O ATOM 571 CB PRO A 37 4.042 9.591 -21.550 1.00 22.22 C ATOM 572 CG PRO A 37 2.913 8.617 -21.479 1.00 42.00 C ATOM 573 CD PRO A 37 2.780 8.252 -20.028 1.00 31.20 C ATOM 0 HA PRO A 37 5.875 8.596 -20.798 1.00 70.34 H new ATOM 0 HB2 PRO A 37 3.694 10.612 -21.393 1.00 22.22 H new ATOM 0 HB3 PRO A 37 4.525 9.566 -22.527 1.00 22.22 H new ATOM 0 HG2 PRO A 37 1.991 9.058 -21.858 1.00 42.00 H new ATOM 0 HG3 PRO A 37 3.118 7.736 -22.087 1.00 42.00 H new ATOM 0 HD2 PRO A 37 2.126 8.943 -19.496 1.00 31.20 H new ATOM 0 HD3 PRO A 37 2.362 7.254 -19.899 1.00 31.20 H new ATOM 581 N ASP A 38 5.017 10.739 -18.587 1.00 34.01 N ATOM 582 CA ASP A 38 5.483 11.856 -17.759 1.00 2.22 C ATOM 583 C ASP A 38 6.822 11.543 -17.064 1.00 64.21 C ATOM 584 O ASP A 38 7.633 12.439 -16.821 1.00 72.22 O ATOM 585 CB ASP A 38 4.404 12.185 -16.715 1.00 5.45 C ATOM 586 CG ASP A 38 4.911 13.051 -15.572 1.00 15.33 C ATOM 587 OD1 ASP A 38 5.281 14.216 -15.814 1.00 13.32 O ATOM 588 OD2 ASP A 38 4.923 12.570 -14.415 1.00 51.53 O ATOM 0 H ASP A 38 4.199 10.261 -18.209 1.00 34.01 H new ATOM 0 HA ASP A 38 5.656 12.716 -18.407 1.00 2.22 H new ATOM 0 HB2 ASP A 38 3.576 12.695 -17.208 1.00 5.45 H new ATOM 0 HB3 ASP A 38 4.008 11.255 -16.308 1.00 5.45 H new ATOM 593 N TYR A 39 7.058 10.271 -16.752 1.00 42.43 N ATOM 594 CA TYR A 39 8.245 9.888 -15.985 1.00 74.33 C ATOM 595 C TYR A 39 9.503 9.882 -16.877 1.00 35.21 C ATOM 596 O TYR A 39 9.829 8.876 -17.512 1.00 35.51 O ATOM 597 CB TYR A 39 8.034 8.515 -15.324 1.00 12.50 C ATOM 598 CG TYR A 39 8.925 8.288 -14.114 1.00 51.25 C ATOM 599 CD1 TYR A 39 8.509 8.673 -12.841 1.00 1.31 C ATOM 600 CD2 TYR A 39 10.182 7.709 -14.242 1.00 23.12 C ATOM 601 CE1 TYR A 39 9.321 8.491 -11.739 1.00 41.25 C ATOM 602 CE2 TYR A 39 10.997 7.519 -13.143 1.00 42.34 C ATOM 603 CZ TYR A 39 10.563 7.914 -11.895 1.00 43.42 C ATOM 604 OH TYR A 39 11.380 7.737 -10.801 1.00 14.41 O ATOM 0 H TYR A 39 6.452 9.494 -17.014 1.00 42.43 H new ATOM 0 HA TYR A 39 8.399 10.629 -15.200 1.00 74.33 H new ATOM 0 HB2 TYR A 39 6.991 8.421 -15.021 1.00 12.50 H new ATOM 0 HB3 TYR A 39 8.224 7.733 -16.059 1.00 12.50 H new ATOM 0 HD1 TYR A 39 7.535 9.121 -12.714 1.00 1.31 H new ATOM 0 HD2 TYR A 39 10.528 7.402 -15.218 1.00 23.12 H new ATOM 0 HE1 TYR A 39 8.985 8.799 -10.760 1.00 41.25 H new ATOM 0 HE2 TYR A 39 11.969 7.063 -13.260 1.00 42.34 H new ATOM 0 HH TYR A 39 11.738 6.825 -10.804 1.00 14.41 H new ATOM 614 N VAL A 40 10.192 11.024 -16.928 1.00 63.53 N ATOM 615 CA VAL A 40 11.394 11.183 -17.762 1.00 53.12 C ATOM 616 C VAL A 40 12.482 10.148 -17.414 1.00 35.20 C ATOM 617 O VAL A 40 13.192 9.653 -18.298 1.00 33.40 O ATOM 618 CB VAL A 40 11.979 12.614 -17.631 1.00 11.54 C ATOM 619 CG1 VAL A 40 13.177 12.806 -18.562 1.00 31.00 C ATOM 620 CG2 VAL A 40 10.901 13.665 -17.904 1.00 21.34 C ATOM 0 H VAL A 40 9.939 11.859 -16.400 1.00 63.53 H new ATOM 0 HA VAL A 40 11.081 11.015 -18.793 1.00 53.12 H new ATOM 0 HB VAL A 40 12.329 12.743 -16.607 1.00 11.54 H new ATOM 0 HG11 VAL A 40 13.567 13.818 -18.449 1.00 31.00 H new ATOM 0 HG12 VAL A 40 13.955 12.087 -18.307 1.00 31.00 H new ATOM 0 HG13 VAL A 40 12.864 12.651 -19.594 1.00 31.00 H new ATOM 0 HG21 VAL A 40 11.332 14.662 -17.807 1.00 21.34 H new ATOM 0 HG22 VAL A 40 10.513 13.534 -18.914 1.00 21.34 H new ATOM 0 HG23 VAL A 40 10.090 13.549 -17.186 1.00 21.34 H new ATOM 630 N GLY A 41 12.597 9.819 -16.126 1.00 72.10 N ATOM 631 CA GLY A 41 13.555 8.807 -15.678 1.00 70.45 C ATOM 632 C GLY A 41 13.447 7.496 -16.453 1.00 22.14 C ATOM 633 O GLY A 41 14.444 6.794 -16.657 1.00 53.30 O ATOM 0 H GLY A 41 12.042 10.236 -15.379 1.00 72.10 H new ATOM 0 HA2 GLY A 41 14.566 9.201 -15.781 1.00 70.45 H new ATOM 0 HA3 GLY A 41 13.397 8.610 -14.618 1.00 70.45 H new ATOM 637 N THR A 42 12.229 7.170 -16.890 1.00 5.42 N ATOM 638 CA THR A 42 11.985 5.988 -17.722 1.00 52.54 C ATOM 639 C THR A 42 12.809 6.045 -19.010 1.00 10.21 C ATOM 640 O THR A 42 13.530 5.109 -19.334 1.00 21.24 O ATOM 641 CB THR A 42 10.488 5.856 -18.104 1.00 4.04 C ATOM 642 OG1 THR A 42 9.692 5.632 -16.930 1.00 12.12 O ATOM 643 CG2 THR A 42 10.268 4.721 -19.104 1.00 62.35 C ATOM 0 H THR A 42 11.390 7.712 -16.680 1.00 5.42 H new ATOM 0 HA THR A 42 12.282 5.123 -17.129 1.00 52.54 H new ATOM 0 HB THR A 42 10.181 6.790 -18.575 1.00 4.04 H new ATOM 0 HG1 THR A 42 8.759 5.866 -17.118 1.00 12.12 H new ATOM 0 HG21 THR A 42 9.209 4.654 -19.352 1.00 62.35 H new ATOM 0 HG22 THR A 42 10.841 4.918 -20.010 1.00 62.35 H new ATOM 0 HG23 THR A 42 10.598 3.780 -18.664 1.00 62.35 H new ATOM 651 N TYR A 43 12.712 7.167 -19.722 1.00 52.41 N ATOM 652 CA TYR A 43 13.392 7.340 -21.011 1.00 50.11 C ATOM 653 C TYR A 43 14.913 7.186 -20.874 1.00 41.25 C ATOM 654 O TYR A 43 15.556 6.507 -21.677 1.00 4.21 O ATOM 655 CB TYR A 43 13.061 8.718 -21.602 1.00 63.44 C ATOM 656 CG TYR A 43 11.579 8.942 -21.849 1.00 13.43 C ATOM 657 CD1 TYR A 43 10.721 9.263 -20.802 1.00 31.13 C ATOM 658 CD2 TYR A 43 11.037 8.831 -23.127 1.00 35.35 C ATOM 659 CE1 TYR A 43 9.374 9.467 -21.019 1.00 1.03 C ATOM 660 CE2 TYR A 43 9.690 9.036 -23.350 1.00 63.03 C ATOM 661 CZ TYR A 43 8.863 9.353 -22.294 1.00 22.24 C ATOM 662 OH TYR A 43 7.521 9.562 -22.510 1.00 24.32 O ATOM 0 H TYR A 43 12.166 7.977 -19.428 1.00 52.41 H new ATOM 0 HA TYR A 43 13.033 6.559 -21.681 1.00 50.11 H new ATOM 0 HB2 TYR A 43 13.427 9.490 -20.925 1.00 63.44 H new ATOM 0 HB3 TYR A 43 13.598 8.838 -22.543 1.00 63.44 H new ATOM 0 HD1 TYR A 43 11.117 9.354 -19.801 1.00 31.13 H new ATOM 0 HD2 TYR A 43 11.681 8.580 -23.957 1.00 35.35 H new ATOM 0 HE1 TYR A 43 8.723 9.715 -20.194 1.00 1.03 H new ATOM 0 HE2 TYR A 43 9.286 8.948 -24.348 1.00 63.03 H new ATOM 0 HH TYR A 43 7.159 10.128 -21.797 1.00 24.32 H new ATOM 672 N TYR A 44 15.482 7.811 -19.845 1.00 30.00 N ATOM 673 CA TYR A 44 16.931 7.771 -19.629 1.00 62.02 C ATOM 674 C TYR A 44 17.409 6.354 -19.266 1.00 45.24 C ATOM 675 O TYR A 44 18.329 5.823 -19.886 1.00 41.12 O ATOM 676 CB TYR A 44 17.341 8.766 -18.533 1.00 54.20 C ATOM 677 CG TYR A 44 18.848 8.914 -18.380 1.00 40.53 C ATOM 678 CD1 TYR A 44 19.578 9.713 -19.257 1.00 54.14 C ATOM 679 CD2 TYR A 44 19.542 8.247 -17.374 1.00 41.40 C ATOM 680 CE1 TYR A 44 20.949 9.844 -19.133 1.00 22.51 C ATOM 681 CE2 TYR A 44 20.913 8.373 -17.246 1.00 60.41 C ATOM 682 CZ TYR A 44 21.612 9.171 -18.126 1.00 20.01 C ATOM 683 OH TYR A 44 22.980 9.291 -18.004 1.00 14.20 O ATOM 0 H TYR A 44 14.966 8.350 -19.149 1.00 30.00 H new ATOM 0 HA TYR A 44 17.411 8.058 -20.565 1.00 62.02 H new ATOM 0 HB2 TYR A 44 16.909 9.741 -18.759 1.00 54.20 H new ATOM 0 HB3 TYR A 44 16.917 8.442 -17.582 1.00 54.20 H new ATOM 0 HD1 TYR A 44 19.064 10.239 -20.048 1.00 54.14 H new ATOM 0 HD2 TYR A 44 19.000 7.620 -16.681 1.00 41.40 H new ATOM 0 HE1 TYR A 44 21.499 10.470 -19.821 1.00 22.51 H new ATOM 0 HE2 TYR A 44 21.434 7.848 -16.459 1.00 60.41 H new ATOM 0 HH TYR A 44 23.289 8.755 -17.244 1.00 14.20 H new ATOM 693 N HIS A 45 16.771 5.739 -18.269 1.00 43.23 N ATOM 694 CA HIS A 45 17.176 4.404 -17.803 1.00 25.43 C ATOM 695 C HIS A 45 16.860 3.312 -18.838 1.00 32.32 C ATOM 696 O HIS A 45 17.616 2.349 -18.983 1.00 4.31 O ATOM 697 CB HIS A 45 16.519 4.084 -16.454 1.00 43.30 C ATOM 698 CG HIS A 45 17.085 4.890 -15.321 1.00 64.45 C ATOM 699 ND1 HIS A 45 18.096 4.430 -14.504 1.00 31.43 N ATOM 700 CD2 HIS A 45 16.794 6.139 -14.881 1.00 72.21 C ATOM 701 CE1 HIS A 45 18.399 5.354 -13.615 1.00 4.22 C ATOM 702 NE2 HIS A 45 17.627 6.396 -13.822 1.00 73.43 N ATOM 0 H HIS A 45 15.976 6.138 -17.769 1.00 43.23 H new ATOM 0 HA HIS A 45 18.258 4.417 -17.671 1.00 25.43 H new ATOM 0 HB2 HIS A 45 15.447 4.269 -16.525 1.00 43.30 H new ATOM 0 HB3 HIS A 45 16.645 3.023 -16.237 1.00 43.30 H new ATOM 0 HD2 HIS A 45 16.048 6.805 -15.287 1.00 72.21 H new ATOM 0 HE1 HIS A 45 19.154 5.269 -12.847 1.00 4.22 H new ATOM 0 HE2 HIS A 45 17.644 7.260 -13.281 1.00 73.43 H new ATOM 711 N LEU A 46 15.748 3.465 -19.557 1.00 31.44 N ATOM 712 CA LEU A 46 15.416 2.558 -20.661 1.00 53.14 C ATOM 713 C LEU A 46 16.463 2.674 -21.775 1.00 53.50 C ATOM 714 O LEU A 46 16.854 1.677 -22.384 1.00 42.33 O ATOM 715 CB LEU A 46 14.012 2.866 -21.209 1.00 24.32 C ATOM 716 CG LEU A 46 13.598 2.088 -22.472 1.00 3.33 C ATOM 717 CD1 LEU A 46 13.685 0.578 -22.250 1.00 24.25 C ATOM 718 CD2 LEU A 46 12.191 2.492 -22.908 1.00 74.10 C ATOM 0 H LEU A 46 15.063 4.204 -19.398 1.00 31.44 H new ATOM 0 HA LEU A 46 15.420 1.535 -20.283 1.00 53.14 H new ATOM 0 HB2 LEU A 46 13.284 2.661 -20.424 1.00 24.32 H new ATOM 0 HB3 LEU A 46 13.954 3.932 -21.427 1.00 24.32 H new ATOM 0 HG LEU A 46 14.296 2.344 -23.269 1.00 3.33 H new ATOM 0 HD11 LEU A 46 13.386 0.059 -23.160 1.00 24.25 H new ATOM 0 HD12 LEU A 46 14.710 0.306 -21.997 1.00 24.25 H new ATOM 0 HD13 LEU A 46 13.021 0.291 -21.434 1.00 24.25 H new ATOM 0 HD21 LEU A 46 11.913 1.934 -23.802 1.00 74.10 H new ATOM 0 HD22 LEU A 46 11.485 2.271 -22.108 1.00 74.10 H new ATOM 0 HD23 LEU A 46 12.170 3.560 -23.126 1.00 74.10 H new ATOM 730 N GLY A 47 16.918 3.901 -22.027 1.00 32.12 N ATOM 731 CA GLY A 47 18.003 4.121 -22.972 1.00 45.41 C ATOM 732 C GLY A 47 19.283 3.389 -22.573 1.00 64.32 C ATOM 733 O GLY A 47 19.906 2.720 -23.397 1.00 42.32 O ATOM 0 H GLY A 47 16.553 4.749 -21.592 1.00 32.12 H new ATOM 0 HA2 GLY A 47 17.691 3.788 -23.962 1.00 45.41 H new ATOM 0 HA3 GLY A 47 18.207 5.189 -23.044 1.00 45.41 H new ATOM 737 N LYS A 48 19.665 3.506 -21.297 1.00 50.31 N ATOM 738 CA LYS A 48 20.842 2.799 -20.771 1.00 24.25 C ATOM 739 C LYS A 48 20.702 1.278 -20.964 1.00 41.30 C ATOM 740 O LYS A 48 21.675 0.582 -21.274 1.00 11.10 O ATOM 741 CB LYS A 48 21.046 3.105 -19.276 1.00 51.35 C ATOM 742 CG LYS A 48 21.023 4.592 -18.912 1.00 32.21 C ATOM 743 CD LYS A 48 22.059 5.426 -19.675 1.00 32.24 C ATOM 744 CE LYS A 48 23.502 5.104 -19.278 1.00 12.52 C ATOM 745 NZ LYS A 48 23.980 3.811 -19.840 1.00 41.22 N ATOM 0 H LYS A 48 19.179 4.082 -20.609 1.00 50.31 H new ATOM 0 HA LYS A 48 21.710 3.151 -21.329 1.00 24.25 H new ATOM 0 HB2 LYS A 48 20.269 2.595 -18.707 1.00 51.35 H new ATOM 0 HB3 LYS A 48 22.001 2.684 -18.961 1.00 51.35 H new ATOM 0 HG2 LYS A 48 20.029 4.991 -19.112 1.00 32.21 H new ATOM 0 HG3 LYS A 48 21.200 4.698 -17.842 1.00 32.21 H new ATOM 0 HD2 LYS A 48 21.937 5.256 -20.745 1.00 32.24 H new ATOM 0 HD3 LYS A 48 21.867 6.484 -19.496 1.00 32.24 H new ATOM 0 HE2 LYS A 48 24.156 5.907 -19.619 1.00 12.52 H new ATOM 0 HE3 LYS A 48 23.577 5.072 -18.191 1.00 12.52 H new ATOM 0 HZ1 LYS A 48 25.010 3.853 -19.981 1.00 41.22 H new ATOM 0 HZ2 LYS A 48 23.752 3.040 -19.180 1.00 41.22 H new ATOM 0 HZ3 LYS A 48 23.513 3.635 -20.752 1.00 41.22 H new ATOM 759 N LEU A 49 19.484 0.769 -20.767 1.00 30.55 N ATOM 760 CA LEU A 49 19.192 -0.653 -20.979 1.00 14.15 C ATOM 761 C LEU A 49 19.305 -1.019 -22.468 1.00 24.23 C ATOM 762 O LEU A 49 19.812 -2.087 -22.819 1.00 74.45 O ATOM 763 CB LEU A 49 17.794 -0.998 -20.441 1.00 11.14 C ATOM 764 CG LEU A 49 17.378 -2.479 -20.558 1.00 61.51 C ATOM 765 CD1 LEU A 49 18.436 -3.395 -19.943 1.00 33.32 C ATOM 766 CD2 LEU A 49 16.027 -2.702 -19.887 1.00 31.52 C ATOM 0 H LEU A 49 18.682 1.320 -20.461 1.00 30.55 H new ATOM 0 HA LEU A 49 19.929 -1.239 -20.431 1.00 14.15 H new ATOM 0 HB2 LEU A 49 17.747 -0.709 -19.391 1.00 11.14 H new ATOM 0 HB3 LEU A 49 17.061 -0.391 -20.972 1.00 11.14 H new ATOM 0 HG LEU A 49 17.291 -2.726 -21.616 1.00 61.51 H new ATOM 0 HD11 LEU A 49 18.118 -4.433 -20.039 1.00 33.32 H new ATOM 0 HD12 LEU A 49 19.384 -3.256 -20.463 1.00 33.32 H new ATOM 0 HD13 LEU A 49 18.561 -3.150 -18.888 1.00 33.32 H new ATOM 0 HD21 LEU A 49 15.745 -3.751 -19.977 1.00 31.52 H new ATOM 0 HD22 LEU A 49 16.096 -2.433 -18.833 1.00 31.52 H new ATOM 0 HD23 LEU A 49 15.273 -2.081 -20.371 1.00 31.52 H new ATOM 778 N TYR A 50 18.836 -0.125 -23.341 1.00 43.54 N ATOM 779 CA TYR A 50 19.013 -0.300 -24.784 1.00 45.32 C ATOM 780 C TYR A 50 20.504 -0.371 -25.147 1.00 25.43 C ATOM 781 O TYR A 50 20.927 -1.272 -25.874 1.00 31.24 O ATOM 782 CB TYR A 50 18.332 0.831 -25.570 1.00 32.42 C ATOM 783 CG TYR A 50 16.825 0.687 -25.713 1.00 33.23 C ATOM 784 CD1 TYR A 50 16.248 -0.541 -26.027 1.00 0.21 C ATOM 785 CD2 TYR A 50 15.983 1.784 -25.561 1.00 70.30 C ATOM 786 CE1 TYR A 50 14.879 -0.672 -26.176 1.00 41.04 C ATOM 787 CE2 TYR A 50 14.614 1.661 -25.715 1.00 13.31 C ATOM 788 CZ TYR A 50 14.067 0.433 -26.022 1.00 13.01 C ATOM 789 OH TYR A 50 12.702 0.311 -26.186 1.00 35.52 O ATOM 0 H TYR A 50 18.334 0.722 -23.076 1.00 43.54 H new ATOM 0 HA TYR A 50 18.540 -1.242 -25.061 1.00 45.32 H new ATOM 0 HB2 TYR A 50 18.548 1.779 -25.077 1.00 32.42 H new ATOM 0 HB3 TYR A 50 18.775 0.881 -26.565 1.00 32.42 H new ATOM 0 HD1 TYR A 50 16.881 -1.407 -26.157 1.00 0.21 H new ATOM 0 HD2 TYR A 50 16.405 2.748 -25.319 1.00 70.30 H new ATOM 0 HE1 TYR A 50 14.448 -1.634 -26.412 1.00 41.04 H new ATOM 0 HE2 TYR A 50 13.976 2.524 -25.595 1.00 13.31 H new ATOM 0 HH TYR A 50 12.446 -0.631 -26.104 1.00 35.52 H new ATOM 799 N GLU A 51 21.298 0.569 -24.621 1.00 22.04 N ATOM 800 CA GLU A 51 22.757 0.559 -24.819 1.00 11.23 C ATOM 801 C GLU A 51 23.349 -0.817 -24.474 1.00 62.44 C ATOM 802 O GLU A 51 24.173 -1.362 -25.214 1.00 44.04 O ATOM 803 CB GLU A 51 23.443 1.627 -23.947 1.00 34.35 C ATOM 804 CG GLU A 51 23.065 3.069 -24.279 1.00 22.41 C ATOM 805 CD GLU A 51 23.870 4.081 -23.470 1.00 10.12 C ATOM 806 OE1 GLU A 51 25.064 4.273 -23.774 1.00 63.44 O ATOM 807 OE2 GLU A 51 23.323 4.680 -22.515 1.00 21.21 O ATOM 0 H GLU A 51 20.958 1.346 -24.055 1.00 22.04 H new ATOM 0 HA GLU A 51 22.939 0.780 -25.871 1.00 11.23 H new ATOM 0 HB2 GLU A 51 23.198 1.434 -22.902 1.00 34.35 H new ATOM 0 HB3 GLU A 51 24.523 1.518 -24.047 1.00 34.35 H new ATOM 0 HG2 GLU A 51 23.225 3.248 -25.342 1.00 22.41 H new ATOM 0 HG3 GLU A 51 22.002 3.217 -24.087 1.00 22.41 H new ATOM 814 N ARG A 52 22.915 -1.374 -23.345 1.00 40.23 N ATOM 815 CA ARG A 52 23.377 -2.691 -22.890 1.00 42.44 C ATOM 816 C ARG A 52 23.051 -3.785 -23.924 1.00 65.43 C ATOM 817 O ARG A 52 23.887 -4.626 -24.245 1.00 12.13 O ATOM 818 CB ARG A 52 22.722 -3.035 -21.544 1.00 74.44 C ATOM 819 CG ARG A 52 23.270 -4.300 -20.888 1.00 32.25 C ATOM 820 CD ARG A 52 22.446 -4.716 -19.670 1.00 44.31 C ATOM 821 NE ARG A 52 23.075 -5.803 -18.923 1.00 32.13 N ATOM 822 CZ ARG A 52 22.645 -7.034 -18.899 1.00 11.42 C ATOM 823 NH1 ARG A 52 21.641 -7.399 -19.627 1.00 4.43 N ATOM 824 NH2 ARG A 52 23.241 -7.907 -18.160 1.00 30.44 N ATOM 0 H ARG A 52 22.239 -0.932 -22.722 1.00 40.23 H new ATOM 0 HA ARG A 52 24.460 -2.649 -22.771 1.00 42.44 H new ATOM 0 HB2 ARG A 52 22.858 -2.196 -20.861 1.00 74.44 H new ATOM 0 HB3 ARG A 52 21.649 -3.152 -21.694 1.00 74.44 H new ATOM 0 HG2 ARG A 52 23.277 -5.112 -21.615 1.00 32.25 H new ATOM 0 HG3 ARG A 52 24.304 -4.133 -20.586 1.00 32.25 H new ATOM 0 HD2 ARG A 52 22.312 -3.856 -19.013 1.00 44.31 H new ATOM 0 HD3 ARG A 52 21.453 -5.027 -19.994 1.00 44.31 H new ATOM 0 HE ARG A 52 23.911 -5.583 -18.381 1.00 32.13 H new ATOM 0 HH11 ARG A 52 21.175 -6.721 -20.230 1.00 4.43 H new ATOM 0 HH12 ARG A 52 21.315 -8.365 -19.599 1.00 4.43 H new ATOM 0 HH21 ARG A 52 24.046 -7.634 -17.597 1.00 30.44 H new ATOM 0 HH22 ARG A 52 22.907 -8.871 -18.139 1.00 30.44 H new ATOM 838 N LEU A 53 21.830 -3.747 -24.456 1.00 14.12 N ATOM 839 CA LEU A 53 21.366 -4.746 -25.433 1.00 71.54 C ATOM 840 C LEU A 53 21.783 -4.387 -26.876 1.00 3.22 C ATOM 841 O LEU A 53 21.215 -4.904 -27.843 1.00 53.41 O ATOM 842 CB LEU A 53 19.839 -4.877 -25.341 1.00 24.32 C ATOM 843 CG LEU A 53 19.297 -5.265 -23.955 1.00 31.53 C ATOM 844 CD1 LEU A 53 17.774 -5.307 -23.968 1.00 3.41 C ATOM 845 CD2 LEU A 53 19.874 -6.607 -23.500 1.00 22.34 C ATOM 0 H LEU A 53 21.137 -3.034 -24.229 1.00 14.12 H new ATOM 0 HA LEU A 53 21.838 -5.698 -25.190 1.00 71.54 H new ATOM 0 HB2 LEU A 53 19.391 -3.928 -25.636 1.00 24.32 H new ATOM 0 HB3 LEU A 53 19.510 -5.624 -26.064 1.00 24.32 H new ATOM 0 HG LEU A 53 19.612 -4.504 -23.241 1.00 31.53 H new ATOM 0 HD11 LEU A 53 17.409 -5.583 -22.979 1.00 3.41 H new ATOM 0 HD12 LEU A 53 17.385 -4.325 -24.237 1.00 3.41 H new ATOM 0 HD13 LEU A 53 17.437 -6.043 -24.698 1.00 3.41 H new ATOM 0 HD21 LEU A 53 19.476 -6.860 -22.517 1.00 22.34 H new ATOM 0 HD22 LEU A 53 19.598 -7.383 -24.214 1.00 22.34 H new ATOM 0 HD23 LEU A 53 20.960 -6.536 -23.444 1.00 22.34 H new ATOM 857 N ASP A 54 22.770 -3.497 -27.007 1.00 62.23 N ATOM 858 CA ASP A 54 23.298 -3.064 -28.315 1.00 41.21 C ATOM 859 C ASP A 54 22.242 -2.296 -29.138 1.00 51.03 C ATOM 860 O ASP A 54 22.427 -2.020 -30.325 1.00 14.14 O ATOM 861 CB ASP A 54 23.838 -4.271 -29.103 1.00 54.25 C ATOM 862 CG ASP A 54 24.678 -3.860 -30.301 1.00 44.34 C ATOM 863 OD1 ASP A 54 25.757 -3.268 -30.096 1.00 40.03 O ATOM 864 OD2 ASP A 54 24.270 -4.120 -31.451 1.00 41.40 O ATOM 0 H ASP A 54 23.230 -3.053 -26.212 1.00 62.23 H new ATOM 0 HA ASP A 54 24.120 -2.374 -28.126 1.00 41.21 H new ATOM 0 HB2 ASP A 54 24.438 -4.894 -28.440 1.00 54.25 H new ATOM 0 HB3 ASP A 54 23.002 -4.882 -29.443 1.00 54.25 H new ATOM 869 N ARG A 55 21.152 -1.924 -28.484 1.00 1.02 N ATOM 870 CA ARG A 55 20.075 -1.161 -29.116 1.00 71.22 C ATOM 871 C ARG A 55 20.404 0.346 -29.103 1.00 3.21 C ATOM 872 O ARG A 55 19.604 1.166 -28.651 1.00 31.11 O ATOM 873 CB ARG A 55 18.764 -1.427 -28.363 1.00 32.25 C ATOM 874 CG ARG A 55 18.400 -2.905 -28.246 1.00 63.32 C ATOM 875 CD ARG A 55 17.970 -3.493 -29.584 1.00 11.02 C ATOM 876 NE ARG A 55 16.785 -2.815 -30.110 1.00 3.41 N ATOM 877 CZ ARG A 55 15.560 -3.046 -29.704 1.00 51.41 C ATOM 878 NH1 ARG A 55 15.312 -3.981 -28.843 1.00 3.12 N ATOM 879 NH2 ARG A 55 14.580 -2.343 -30.169 1.00 51.14 N ATOM 0 H ARG A 55 20.985 -2.140 -27.501 1.00 1.02 H new ATOM 0 HA ARG A 55 19.969 -1.476 -30.154 1.00 71.22 H new ATOM 0 HB2 ARG A 55 18.840 -1.002 -27.362 1.00 32.25 H new ATOM 0 HB3 ARG A 55 17.954 -0.904 -28.870 1.00 32.25 H new ATOM 0 HG2 ARG A 55 19.257 -3.460 -27.864 1.00 63.32 H new ATOM 0 HG3 ARG A 55 17.594 -3.024 -27.522 1.00 63.32 H new ATOM 0 HD2 ARG A 55 18.787 -3.408 -30.300 1.00 11.02 H new ATOM 0 HD3 ARG A 55 17.760 -4.556 -29.465 1.00 11.02 H new ATOM 0 HE ARG A 55 16.921 -2.117 -30.841 1.00 3.41 H new ATOM 0 HH11 ARG A 55 16.074 -4.548 -28.472 1.00 3.12 H new ATOM 0 HH12 ARG A 55 14.354 -4.150 -28.536 1.00 3.12 H new ATOM 0 HH21 ARG A 55 14.759 -1.608 -30.853 1.00 51.14 H new ATOM 0 HH22 ARG A 55 13.627 -2.524 -29.852 1.00 51.14 H new ATOM 893 N THR A 56 21.591 0.695 -29.607 1.00 31.24 N ATOM 894 CA THR A 56 22.091 2.080 -29.571 1.00 3.33 C ATOM 895 C THR A 56 21.134 3.065 -30.258 1.00 44.41 C ATOM 896 O THR A 56 20.756 4.080 -29.676 1.00 55.45 O ATOM 897 CB THR A 56 23.489 2.188 -30.234 1.00 43.02 C ATOM 898 OG1 THR A 56 24.417 1.323 -29.561 1.00 21.54 O ATOM 899 CG2 THR A 56 24.018 3.622 -30.203 1.00 24.14 C ATOM 0 H THR A 56 22.231 0.035 -30.049 1.00 31.24 H new ATOM 0 HA THR A 56 22.163 2.349 -28.517 1.00 3.33 H new ATOM 0 HB THR A 56 23.386 1.885 -31.276 1.00 43.02 H new ATOM 0 HG1 THR A 56 25.297 1.394 -29.985 1.00 21.54 H new ATOM 0 HG21 THR A 56 24.999 3.658 -30.676 1.00 24.14 H new ATOM 0 HG22 THR A 56 23.331 4.275 -30.741 1.00 24.14 H new ATOM 0 HG23 THR A 56 24.101 3.957 -29.169 1.00 24.14 H new ATOM 907 N ASP A 57 20.731 2.758 -31.489 1.00 4.14 N ATOM 908 CA ASP A 57 19.829 3.634 -32.243 1.00 74.50 C ATOM 909 C ASP A 57 18.462 3.740 -31.547 1.00 72.33 C ATOM 910 O ASP A 57 17.854 4.814 -31.494 1.00 44.34 O ATOM 911 CB ASP A 57 19.664 3.113 -33.673 1.00 62.21 C ATOM 912 CG ASP A 57 18.806 4.026 -34.533 1.00 1.44 C ATOM 913 OD1 ASP A 57 19.355 4.974 -35.125 1.00 60.44 O ATOM 914 OD2 ASP A 57 17.580 3.798 -34.619 1.00 33.21 O ATOM 0 H ASP A 57 21.012 1.913 -31.987 1.00 4.14 H new ATOM 0 HA ASP A 57 20.267 4.631 -32.281 1.00 74.50 H new ATOM 0 HB2 ASP A 57 20.647 3.006 -34.132 1.00 62.21 H new ATOM 0 HB3 ASP A 57 19.215 2.120 -33.644 1.00 62.21 H new ATOM 919 N ASP A 58 17.994 2.616 -31.008 1.00 23.03 N ATOM 920 CA ASP A 58 16.742 2.577 -30.251 1.00 13.43 C ATOM 921 C ASP A 58 16.839 3.471 -28.999 1.00 24.53 C ATOM 922 O ASP A 58 15.881 4.153 -28.624 1.00 33.03 O ATOM 923 CB ASP A 58 16.422 1.133 -29.850 1.00 13.43 C ATOM 924 CG ASP A 58 16.492 0.178 -31.032 1.00 12.34 C ATOM 925 OD1 ASP A 58 17.603 -0.294 -31.356 1.00 44.01 O ATOM 926 OD2 ASP A 58 15.441 -0.126 -31.633 1.00 63.40 O ATOM 0 H ASP A 58 18.465 1.714 -31.082 1.00 23.03 H new ATOM 0 HA ASP A 58 15.938 2.957 -30.882 1.00 13.43 H new ATOM 0 HB2 ASP A 58 17.123 0.808 -29.081 1.00 13.43 H new ATOM 0 HB3 ASP A 58 15.425 1.092 -29.411 1.00 13.43 H new ATOM 931 N ALA A 59 18.009 3.463 -28.359 1.00 54.24 N ATOM 932 CA ALA A 59 18.280 4.344 -27.221 1.00 52.55 C ATOM 933 C ALA A 59 18.237 5.818 -27.646 1.00 0.25 C ATOM 934 O ALA A 59 17.532 6.627 -27.043 1.00 60.42 O ATOM 935 CB ALA A 59 19.636 4.010 -26.605 1.00 41.42 C ATOM 0 H ALA A 59 18.787 2.854 -28.610 1.00 54.24 H new ATOM 0 HA ALA A 59 17.504 4.183 -26.473 1.00 52.55 H new ATOM 0 HB1 ALA A 59 19.825 4.672 -25.760 1.00 41.42 H new ATOM 0 HB2 ALA A 59 19.635 2.975 -26.262 1.00 41.42 H new ATOM 0 HB3 ALA A 59 20.418 4.143 -27.353 1.00 41.42 H new ATOM 941 N ILE A 60 18.986 6.149 -28.702 1.00 35.55 N ATOM 942 CA ILE A 60 19.046 7.520 -29.235 1.00 64.35 C ATOM 943 C ILE A 60 17.643 8.076 -29.519 1.00 74.25 C ATOM 944 O ILE A 60 17.297 9.173 -29.079 1.00 11.11 O ATOM 945 CB ILE A 60 19.880 7.576 -30.543 1.00 54.31 C ATOM 946 CG1 ILE A 60 21.314 7.080 -30.290 1.00 40.54 C ATOM 947 CG2 ILE A 60 19.894 8.994 -31.122 1.00 43.15 C ATOM 948 CD1 ILE A 60 22.140 6.921 -31.551 1.00 63.15 C ATOM 0 H ILE A 60 19.566 5.482 -29.211 1.00 35.55 H new ATOM 0 HA ILE A 60 19.525 8.132 -28.471 1.00 64.35 H new ATOM 0 HB ILE A 60 19.411 6.917 -31.274 1.00 54.31 H new ATOM 0 HG12 ILE A 60 21.818 7.780 -29.623 1.00 40.54 H new ATOM 0 HG13 ILE A 60 21.271 6.122 -29.773 1.00 40.54 H new ATOM 0 HG21 ILE A 60 20.485 9.007 -32.038 1.00 43.15 H new ATOM 0 HG22 ILE A 60 18.874 9.307 -31.344 1.00 43.15 H new ATOM 0 HG23 ILE A 60 20.334 9.679 -30.397 1.00 43.15 H new ATOM 0 HD11 ILE A 60 23.138 6.568 -31.290 1.00 63.15 H new ATOM 0 HD12 ILE A 60 21.661 6.198 -32.211 1.00 63.15 H new ATOM 0 HD13 ILE A 60 22.216 7.882 -32.060 1.00 63.15 H new ATOM 960 N ASP A 61 16.841 7.308 -30.256 1.00 4.14 N ATOM 961 CA ASP A 61 15.463 7.700 -30.577 1.00 61.45 C ATOM 962 C ASP A 61 14.631 7.937 -29.301 1.00 44.51 C ATOM 963 O ASP A 61 13.907 8.929 -29.191 1.00 24.13 O ATOM 964 CB ASP A 61 14.814 6.620 -31.448 1.00 62.32 C ATOM 965 CG ASP A 61 13.393 6.968 -31.850 1.00 24.15 C ATOM 966 OD1 ASP A 61 13.209 7.646 -32.880 1.00 11.10 O ATOM 967 OD2 ASP A 61 12.453 6.550 -31.145 1.00 33.11 O ATOM 0 H ASP A 61 17.120 6.407 -30.645 1.00 4.14 H new ATOM 0 HA ASP A 61 15.492 8.641 -31.126 1.00 61.45 H new ATOM 0 HB2 ASP A 61 15.415 6.473 -32.345 1.00 62.32 H new ATOM 0 HB3 ASP A 61 14.813 5.674 -30.906 1.00 62.32 H new ATOM 972 N THR A 62 14.749 7.022 -28.339 1.00 4.43 N ATOM 973 CA THR A 62 14.058 7.157 -27.047 1.00 51.14 C ATOM 974 C THR A 62 14.478 8.448 -26.320 1.00 71.54 C ATOM 975 O THR A 62 13.642 9.142 -25.734 1.00 71.43 O ATOM 976 CB THR A 62 14.322 5.930 -26.133 1.00 24.33 C ATOM 977 OG1 THR A 62 13.850 4.733 -26.772 1.00 53.41 O ATOM 978 CG2 THR A 62 13.637 6.081 -24.775 1.00 25.44 C ATOM 0 H THR A 62 15.315 6.178 -28.425 1.00 4.43 H new ATOM 0 HA THR A 62 12.990 7.208 -27.261 1.00 51.14 H new ATOM 0 HB THR A 62 15.398 5.867 -25.968 1.00 24.33 H new ATOM 0 HG1 THR A 62 14.491 4.454 -27.459 1.00 53.41 H new ATOM 0 HG21 THR A 62 13.845 5.203 -24.163 1.00 25.44 H new ATOM 0 HG22 THR A 62 14.016 6.971 -24.273 1.00 25.44 H new ATOM 0 HG23 THR A 62 12.561 6.177 -24.919 1.00 25.44 H new ATOM 986 N TYR A 63 15.773 8.772 -26.368 1.00 1.45 N ATOM 987 CA TYR A 63 16.269 10.038 -25.813 1.00 53.03 C ATOM 988 C TYR A 63 15.686 11.237 -26.578 1.00 75.32 C ATOM 989 O TYR A 63 15.315 12.244 -25.980 1.00 75.20 O ATOM 990 CB TYR A 63 17.806 10.107 -25.859 1.00 11.55 C ATOM 991 CG TYR A 63 18.516 9.057 -25.017 1.00 21.42 C ATOM 992 CD1 TYR A 63 18.174 8.851 -23.685 1.00 70.51 C ATOM 993 CD2 TYR A 63 19.538 8.279 -25.556 1.00 0.41 C ATOM 994 CE1 TYR A 63 18.824 7.900 -22.920 1.00 11.54 C ATOM 995 CE2 TYR A 63 20.192 7.328 -24.795 1.00 73.30 C ATOM 996 CZ TYR A 63 19.832 7.143 -23.478 1.00 23.34 C ATOM 997 OH TYR A 63 20.481 6.198 -22.714 1.00 35.05 O ATOM 0 H TYR A 63 16.494 8.181 -26.782 1.00 1.45 H new ATOM 0 HA TYR A 63 15.946 10.081 -24.773 1.00 53.03 H new ATOM 0 HB2 TYR A 63 18.130 10.002 -26.895 1.00 11.55 H new ATOM 0 HB3 TYR A 63 18.122 11.095 -25.525 1.00 11.55 H new ATOM 0 HD1 TYR A 63 17.388 9.443 -23.241 1.00 70.51 H new ATOM 0 HD2 TYR A 63 19.825 8.421 -26.587 1.00 0.41 H new ATOM 0 HE1 TYR A 63 18.543 7.751 -21.888 1.00 11.54 H new ATOM 0 HE2 TYR A 63 20.981 6.733 -25.231 1.00 73.30 H new ATOM 0 HH TYR A 63 21.164 5.751 -23.257 1.00 35.05 H new ATOM 1007 N ALA A 64 15.605 11.109 -27.905 1.00 44.12 N ATOM 1008 CA ALA A 64 15.092 12.181 -28.772 1.00 51.15 C ATOM 1009 C ALA A 64 13.670 12.614 -28.380 1.00 61.45 C ATOM 1010 O ALA A 64 13.415 13.798 -28.153 1.00 2.21 O ATOM 1011 CB ALA A 64 15.123 11.738 -30.230 1.00 1.15 C ATOM 0 H ALA A 64 15.890 10.269 -28.408 1.00 44.12 H new ATOM 0 HA ALA A 64 15.743 13.045 -28.641 1.00 51.15 H new ATOM 0 HB1 ALA A 64 14.741 12.540 -30.862 1.00 1.15 H new ATOM 0 HB2 ALA A 64 16.148 11.506 -30.518 1.00 1.15 H new ATOM 0 HB3 ALA A 64 14.502 10.851 -30.354 1.00 1.15 H new ATOM 1017 N GLN A 65 12.745 11.655 -28.306 1.00 75.43 N ATOM 1018 CA GLN A 65 11.368 11.955 -27.885 1.00 50.12 C ATOM 1019 C GLN A 65 11.349 12.356 -26.401 1.00 55.13 C ATOM 1020 O GLN A 65 10.576 13.225 -25.978 1.00 34.12 O ATOM 1021 CB GLN A 65 10.447 10.744 -28.148 1.00 23.20 C ATOM 1022 CG GLN A 65 8.963 11.101 -28.303 1.00 42.32 C ATOM 1023 CD GLN A 65 8.253 11.424 -26.994 1.00 11.43 C ATOM 1024 OE1 GLN A 65 7.361 12.266 -26.950 1.00 34.45 O ATOM 1025 NE2 GLN A 65 8.605 10.733 -25.927 1.00 3.41 N ATOM 0 H GLN A 65 12.917 10.675 -28.528 1.00 75.43 H new ATOM 0 HA GLN A 65 10.991 12.793 -28.471 1.00 50.12 H new ATOM 0 HB2 GLN A 65 10.783 10.237 -29.052 1.00 23.20 H new ATOM 0 HB3 GLN A 65 10.554 10.036 -27.327 1.00 23.20 H new ATOM 0 HG2 GLN A 65 8.876 11.958 -28.971 1.00 42.32 H new ATOM 0 HG3 GLN A 65 8.450 10.269 -28.785 1.00 42.32 H new ATOM 0 HE21 GLN A 65 9.350 10.039 -25.992 1.00 3.41 H new ATOM 0 HE22 GLN A 65 8.132 10.893 -25.037 1.00 3.41 H new ATOM 1034 N GLY A 66 12.227 11.727 -25.620 1.00 33.32 N ATOM 1035 CA GLY A 66 12.391 12.091 -24.221 1.00 34.34 C ATOM 1036 C GLY A 66 12.778 13.556 -24.028 1.00 24.52 C ATOM 1037 O GLY A 66 12.370 14.186 -23.055 1.00 31.00 O ATOM 0 H GLY A 66 12.831 10.967 -25.934 1.00 33.32 H new ATOM 0 HA2 GLY A 66 11.461 11.893 -23.688 1.00 34.34 H new ATOM 0 HA3 GLY A 66 13.156 11.457 -23.773 1.00 34.34 H new ATOM 1041 N ILE A 67 13.568 14.093 -24.959 1.00 63.34 N ATOM 1042 CA ILE A 67 13.965 15.507 -24.939 1.00 63.51 C ATOM 1043 C ILE A 67 12.741 16.430 -24.817 1.00 74.22 C ATOM 1044 O ILE A 67 12.751 17.402 -24.054 1.00 63.35 O ATOM 1045 CB ILE A 67 14.774 15.862 -26.221 1.00 20.42 C ATOM 1046 CG1 ILE A 67 16.179 15.233 -26.151 1.00 62.52 C ATOM 1047 CG2 ILE A 67 14.863 17.374 -26.442 1.00 14.24 C ATOM 1048 CD1 ILE A 67 17.019 15.460 -27.391 1.00 61.34 C ATOM 0 H ILE A 67 13.950 13.566 -25.745 1.00 63.34 H new ATOM 0 HA ILE A 67 14.596 15.662 -24.064 1.00 63.51 H new ATOM 0 HB ILE A 67 14.242 15.447 -27.077 1.00 20.42 H new ATOM 0 HG12 ILE A 67 16.706 15.641 -25.288 1.00 62.52 H new ATOM 0 HG13 ILE A 67 16.078 14.161 -25.985 1.00 62.52 H new ATOM 0 HG21 ILE A 67 15.436 17.576 -27.347 1.00 14.24 H new ATOM 0 HG22 ILE A 67 13.859 17.786 -26.548 1.00 14.24 H new ATOM 0 HG23 ILE A 67 15.357 17.838 -25.588 1.00 14.24 H new ATOM 0 HD11 ILE A 67 17.992 14.987 -27.263 1.00 61.34 H new ATOM 0 HD12 ILE A 67 16.516 15.027 -28.256 1.00 61.34 H new ATOM 0 HD13 ILE A 67 17.154 16.530 -27.548 1.00 61.34 H new ATOM 1060 N GLU A 68 11.679 16.102 -25.548 1.00 33.00 N ATOM 1061 CA GLU A 68 10.449 16.894 -25.514 1.00 63.13 C ATOM 1062 C GLU A 68 9.749 16.776 -24.153 1.00 62.44 C ATOM 1063 O GLU A 68 9.506 17.781 -23.485 1.00 12.03 O ATOM 1064 CB GLU A 68 9.500 16.466 -26.641 1.00 74.10 C ATOM 1065 CG GLU A 68 10.125 16.553 -28.030 1.00 75.02 C ATOM 1066 CD GLU A 68 9.088 16.551 -29.141 1.00 33.14 C ATOM 1067 OE1 GLU A 68 8.457 17.604 -29.367 1.00 61.13 O ATOM 1068 OE2 GLU A 68 8.896 15.504 -29.796 1.00 32.24 O ATOM 0 H GLU A 68 11.643 15.295 -26.171 1.00 33.00 H new ATOM 0 HA GLU A 68 10.722 17.939 -25.664 1.00 63.13 H new ATOM 0 HB2 GLU A 68 9.175 15.441 -26.461 1.00 74.10 H new ATOM 0 HB3 GLU A 68 8.609 17.093 -26.612 1.00 74.10 H new ATOM 0 HG2 GLU A 68 10.723 17.462 -28.099 1.00 75.02 H new ATOM 0 HG3 GLU A 68 10.805 15.713 -28.171 1.00 75.02 H new ATOM 1075 N VAL A 69 9.457 15.547 -23.720 1.00 3.32 N ATOM 1076 CA VAL A 69 8.779 15.342 -22.427 1.00 34.42 C ATOM 1077 C VAL A 69 9.639 15.851 -21.250 1.00 20.44 C ATOM 1078 O VAL A 69 9.122 16.193 -20.187 1.00 61.00 O ATOM 1079 CB VAL A 69 8.403 13.855 -22.188 1.00 41.42 C ATOM 1080 CG1 VAL A 69 7.576 13.311 -23.353 1.00 11.23 C ATOM 1081 CG2 VAL A 69 9.646 12.998 -21.947 1.00 30.45 C ATOM 0 H VAL A 69 9.672 14.691 -24.231 1.00 3.32 H new ATOM 0 HA VAL A 69 7.858 15.923 -22.474 1.00 34.42 H new ATOM 0 HB VAL A 69 7.792 13.806 -21.287 1.00 41.42 H new ATOM 0 HG11 VAL A 69 7.324 12.268 -23.164 1.00 11.23 H new ATOM 0 HG12 VAL A 69 6.660 13.893 -23.452 1.00 11.23 H new ATOM 0 HG13 VAL A 69 8.154 13.384 -24.274 1.00 11.23 H new ATOM 0 HG21 VAL A 69 9.348 11.962 -21.783 1.00 30.45 H new ATOM 0 HG22 VAL A 69 10.301 13.054 -22.817 1.00 30.45 H new ATOM 0 HG23 VAL A 69 10.177 13.366 -21.069 1.00 30.45 H new ATOM 1091 N ALA A 70 10.955 15.911 -21.454 1.00 13.44 N ATOM 1092 CA ALA A 70 11.880 16.414 -20.433 1.00 73.12 C ATOM 1093 C ALA A 70 11.723 17.924 -20.225 1.00 32.54 C ATOM 1094 O ALA A 70 11.632 18.398 -19.097 1.00 21.04 O ATOM 1095 CB ALA A 70 13.317 16.083 -20.814 1.00 60.10 C ATOM 0 H ALA A 70 11.408 15.617 -22.319 1.00 13.44 H new ATOM 0 HA ALA A 70 11.636 15.921 -19.492 1.00 73.12 H new ATOM 0 HB1 ALA A 70 13.993 16.462 -20.048 1.00 60.10 H new ATOM 0 HB2 ALA A 70 13.432 15.002 -20.897 1.00 60.10 H new ATOM 0 HB3 ALA A 70 13.556 16.548 -21.771 1.00 60.10 H new ATOM 1101 N ARG A 71 11.687 18.678 -21.320 1.00 2.32 N ATOM 1102 CA ARG A 71 11.531 20.136 -21.242 1.00 33.44 C ATOM 1103 C ARG A 71 10.075 20.543 -20.948 1.00 14.02 C ATOM 1104 O ARG A 71 9.827 21.593 -20.354 1.00 12.51 O ATOM 1105 CB ARG A 71 12.013 20.800 -22.541 1.00 73.41 C ATOM 1106 CG ARG A 71 11.290 20.308 -23.794 1.00 4.22 C ATOM 1107 CD ARG A 71 11.724 21.066 -25.043 1.00 73.23 C ATOM 1108 NE ARG A 71 11.408 22.490 -24.953 1.00 55.31 N ATOM 1109 CZ ARG A 71 11.313 23.293 -25.976 1.00 42.02 C ATOM 1110 NH1 ARG A 71 11.479 22.859 -27.185 1.00 11.13 N ATOM 1111 NH2 ARG A 71 11.039 24.541 -25.784 1.00 64.34 N ATOM 0 H ARG A 71 11.763 18.311 -22.269 1.00 2.32 H new ATOM 0 HA ARG A 71 12.147 20.484 -20.413 1.00 33.44 H new ATOM 0 HB2 ARG A 71 11.880 21.879 -22.457 1.00 73.41 H new ATOM 0 HB3 ARG A 71 13.082 20.618 -22.655 1.00 73.41 H new ATOM 0 HG2 ARG A 71 11.485 19.244 -23.930 1.00 4.22 H new ATOM 0 HG3 ARG A 71 10.214 20.420 -23.658 1.00 4.22 H new ATOM 0 HD2 ARG A 71 12.797 20.941 -25.189 1.00 73.23 H new ATOM 0 HD3 ARG A 71 11.231 20.639 -25.916 1.00 73.23 H new ATOM 0 HE ARG A 71 11.251 22.883 -24.025 1.00 55.31 H new ATOM 0 HH11 ARG A 71 11.688 21.874 -27.349 1.00 11.13 H new ATOM 0 HH12 ARG A 71 11.401 23.502 -27.973 1.00 11.13 H new ATOM 0 HH21 ARG A 71 10.899 24.892 -24.837 1.00 64.34 H new ATOM 0 HH22 ARG A 71 10.963 25.175 -26.580 1.00 64.34 H new ATOM 1125 N GLU A 72 9.114 19.717 -21.364 1.00 24.44 N ATOM 1126 CA GLU A 72 7.691 20.024 -21.155 1.00 2.01 C ATOM 1127 C GLU A 72 7.183 19.536 -19.783 1.00 10.42 C ATOM 1128 O GLU A 72 6.616 20.312 -19.010 1.00 54.22 O ATOM 1129 CB GLU A 72 6.848 19.391 -22.271 1.00 1.55 C ATOM 1130 CG GLU A 72 7.201 19.884 -23.673 1.00 2.22 C ATOM 1131 CD GLU A 72 6.370 19.210 -24.755 1.00 60.34 C ATOM 1132 OE1 GLU A 72 6.675 18.053 -25.112 1.00 5.20 O ATOM 1133 OE2 GLU A 72 5.399 19.826 -25.241 1.00 55.35 O ATOM 0 H GLU A 72 9.289 18.835 -21.845 1.00 24.44 H new ATOM 0 HA GLU A 72 7.588 21.109 -21.179 1.00 2.01 H new ATOM 0 HB2 GLU A 72 6.972 18.309 -22.236 1.00 1.55 H new ATOM 0 HB3 GLU A 72 5.795 19.598 -22.079 1.00 1.55 H new ATOM 0 HG2 GLU A 72 7.051 20.962 -23.724 1.00 2.22 H new ATOM 0 HG3 GLU A 72 8.258 19.700 -23.864 1.00 2.22 H new ATOM 1140 N GLU A 73 7.403 18.257 -19.475 1.00 4.02 N ATOM 1141 CA GLU A 73 6.892 17.658 -18.229 1.00 74.31 C ATOM 1142 C GLU A 73 7.944 17.659 -17.109 1.00 70.12 C ATOM 1143 O GLU A 73 7.624 17.913 -15.945 1.00 74.11 O ATOM 1144 CB GLU A 73 6.406 16.222 -18.487 1.00 11.11 C ATOM 1145 CG GLU A 73 5.276 16.126 -19.509 1.00 72.33 C ATOM 1146 CD GLU A 73 4.076 16.987 -19.137 1.00 40.40 C ATOM 1147 OE1 GLU A 73 3.286 16.580 -18.257 1.00 71.21 O ATOM 1148 OE2 GLU A 73 3.924 18.084 -19.711 1.00 21.04 O ATOM 0 H GLU A 73 7.929 17.613 -20.065 1.00 4.02 H new ATOM 0 HA GLU A 73 6.056 18.274 -17.897 1.00 74.31 H new ATOM 0 HB2 GLU A 73 7.247 15.621 -18.832 1.00 11.11 H new ATOM 0 HB3 GLU A 73 6.069 15.788 -17.546 1.00 11.11 H new ATOM 0 HG2 GLU A 73 5.648 16.431 -20.487 1.00 72.33 H new ATOM 0 HG3 GLU A 73 4.959 15.087 -19.599 1.00 72.33 H new ATOM 1155 N GLY A 74 9.190 17.354 -17.459 1.00 71.43 N ATOM 1156 CA GLY A 74 10.267 17.324 -16.472 1.00 1.15 C ATOM 1157 C GLY A 74 10.937 18.684 -16.269 1.00 61.01 C ATOM 1158 O GLY A 74 10.262 19.690 -16.032 1.00 74.33 O ATOM 0 H GLY A 74 9.479 17.126 -18.410 1.00 71.43 H new ATOM 0 HA2 GLY A 74 9.868 16.977 -15.519 1.00 1.15 H new ATOM 0 HA3 GLY A 74 11.018 16.599 -16.786 1.00 1.15 H new ATOM 1162 N THR A 75 12.267 18.720 -16.363 1.00 25.41 N ATOM 1163 CA THR A 75 13.023 19.972 -16.210 1.00 54.23 C ATOM 1164 C THR A 75 14.312 19.973 -17.050 1.00 4.45 C ATOM 1165 O THR A 75 14.676 18.964 -17.660 1.00 1.42 O ATOM 1166 CB THR A 75 13.382 20.247 -14.728 1.00 22.40 C ATOM 1167 OG1 THR A 75 14.075 21.501 -14.613 1.00 12.15 O ATOM 1168 CG2 THR A 75 14.248 19.130 -14.148 1.00 33.23 C ATOM 0 H THR A 75 12.846 17.900 -16.544 1.00 25.41 H new ATOM 0 HA THR A 75 12.369 20.765 -16.571 1.00 54.23 H new ATOM 0 HB THR A 75 12.451 20.288 -14.162 1.00 22.40 H new ATOM 0 HG1 THR A 75 14.296 21.667 -13.673 1.00 12.15 H new ATOM 0 HG21 THR A 75 14.482 19.354 -13.107 1.00 33.23 H new ATOM 0 HG22 THR A 75 13.708 18.185 -14.203 1.00 33.23 H new ATOM 0 HG23 THR A 75 15.173 19.053 -14.719 1.00 33.23 H new ATOM 1176 N GLN A 76 15.006 21.114 -17.061 1.00 51.25 N ATOM 1177 CA GLN A 76 16.231 21.287 -17.855 1.00 45.33 C ATOM 1178 C GLN A 76 17.318 20.267 -17.462 1.00 62.23 C ATOM 1179 O GLN A 76 18.078 19.799 -18.311 1.00 20.00 O ATOM 1180 CB GLN A 76 16.771 22.717 -17.686 1.00 21.05 C ATOM 1181 CG GLN A 76 17.982 23.038 -18.562 1.00 31.02 C ATOM 1182 CD GLN A 76 17.655 23.102 -20.047 1.00 23.24 C ATOM 1183 OE1 GLN A 76 18.477 22.753 -20.892 1.00 33.35 O ATOM 1184 NE2 GLN A 76 16.470 23.577 -20.384 1.00 24.23 N ATOM 0 H GLN A 76 14.739 21.940 -16.525 1.00 51.25 H new ATOM 0 HA GLN A 76 15.974 21.113 -18.900 1.00 45.33 H new ATOM 0 HB2 GLN A 76 15.974 23.424 -17.915 1.00 21.05 H new ATOM 0 HB3 GLN A 76 17.042 22.870 -16.641 1.00 21.05 H new ATOM 0 HG2 GLN A 76 18.404 23.993 -18.249 1.00 31.02 H new ATOM 0 HG3 GLN A 76 18.750 22.281 -18.399 1.00 31.02 H new ATOM 0 HE21 GLN A 76 15.809 23.859 -19.660 1.00 24.23 H new ATOM 0 HE22 GLN A 76 16.216 23.662 -21.368 1.00 24.23 H new ATOM 1193 N LYS A 77 17.383 19.927 -16.174 1.00 74.25 N ATOM 1194 CA LYS A 77 18.356 18.943 -15.682 1.00 21.14 C ATOM 1195 C LYS A 77 18.240 17.603 -16.433 1.00 55.22 C ATOM 1196 O LYS A 77 19.240 17.064 -16.919 1.00 62.01 O ATOM 1197 CB LYS A 77 18.161 18.721 -14.177 1.00 22.12 C ATOM 1198 CG LYS A 77 19.103 17.682 -13.578 1.00 54.11 C ATOM 1199 CD LYS A 77 18.876 17.518 -12.079 1.00 65.04 C ATOM 1200 CE LYS A 77 19.746 16.410 -11.499 1.00 13.04 C ATOM 1201 NZ LYS A 77 19.542 16.242 -10.035 1.00 13.14 N ATOM 0 H LYS A 77 16.776 20.316 -15.452 1.00 74.25 H new ATOM 0 HA LYS A 77 19.354 19.341 -15.865 1.00 21.14 H new ATOM 0 HB2 LYS A 77 18.305 19.669 -13.658 1.00 22.12 H new ATOM 0 HB3 LYS A 77 17.132 18.411 -13.996 1.00 22.12 H new ATOM 0 HG2 LYS A 77 18.954 16.724 -14.076 1.00 54.11 H new ATOM 0 HG3 LYS A 77 20.136 17.978 -13.760 1.00 54.11 H new ATOM 0 HD2 LYS A 77 19.096 18.457 -11.572 1.00 65.04 H new ATOM 0 HD3 LYS A 77 17.826 17.293 -11.892 1.00 65.04 H new ATOM 0 HE2 LYS A 77 19.521 15.471 -12.005 1.00 13.04 H new ATOM 0 HE3 LYS A 77 20.795 16.634 -11.694 1.00 13.04 H new ATOM 0 HZ1 LYS A 77 20.154 15.478 -9.685 1.00 13.14 H new ATOM 0 HZ2 LYS A 77 19.781 17.129 -9.547 1.00 13.14 H new ATOM 0 HZ3 LYS A 77 18.547 16.002 -9.848 1.00 13.14 H new ATOM 1215 N ASP A 78 17.017 17.077 -16.533 1.00 2.43 N ATOM 1216 CA ASP A 78 16.759 15.850 -17.297 1.00 55.12 C ATOM 1217 C ASP A 78 17.066 16.065 -18.787 1.00 24.32 C ATOM 1218 O ASP A 78 17.707 15.235 -19.435 1.00 42.51 O ATOM 1219 CB ASP A 78 15.298 15.419 -17.124 1.00 74.21 C ATOM 1220 CG ASP A 78 14.959 15.104 -15.679 1.00 73.41 C ATOM 1221 OD1 ASP A 78 15.183 13.955 -15.250 1.00 63.33 O ATOM 1222 OD2 ASP A 78 14.478 16.004 -14.962 1.00 24.23 O ATOM 0 H ASP A 78 16.189 17.480 -16.095 1.00 2.43 H new ATOM 0 HA ASP A 78 17.412 15.065 -16.916 1.00 55.12 H new ATOM 0 HB2 ASP A 78 14.642 16.212 -17.484 1.00 74.21 H new ATOM 0 HB3 ASP A 78 15.105 14.541 -17.740 1.00 74.21 H new ATOM 1227 N LEU A 79 16.608 17.201 -19.308 1.00 73.21 N ATOM 1228 CA LEU A 79 16.830 17.577 -20.707 1.00 11.15 C ATOM 1229 C LEU A 79 18.322 17.512 -21.091 1.00 3.23 C ATOM 1230 O LEU A 79 18.685 16.989 -22.148 1.00 54.31 O ATOM 1231 CB LEU A 79 16.283 18.994 -20.938 1.00 25.24 C ATOM 1232 CG LEU A 79 16.459 19.557 -22.357 1.00 4.43 C ATOM 1233 CD1 LEU A 79 15.760 18.674 -23.379 1.00 51.41 C ATOM 1234 CD2 LEU A 79 15.934 20.988 -22.437 1.00 41.01 C ATOM 0 H LEU A 79 16.073 17.887 -18.776 1.00 73.21 H new ATOM 0 HA LEU A 79 16.304 16.864 -21.342 1.00 11.15 H new ATOM 0 HB2 LEU A 79 15.220 18.996 -20.696 1.00 25.24 H new ATOM 0 HB3 LEU A 79 16.771 19.670 -20.236 1.00 25.24 H new ATOM 0 HG LEU A 79 17.524 19.568 -22.588 1.00 4.43 H new ATOM 0 HD11 LEU A 79 15.898 19.092 -24.376 1.00 51.41 H new ATOM 0 HD12 LEU A 79 16.185 17.671 -23.344 1.00 51.41 H new ATOM 0 HD13 LEU A 79 14.695 18.625 -23.150 1.00 51.41 H new ATOM 0 HD21 LEU A 79 16.068 21.369 -23.450 1.00 41.01 H new ATOM 0 HD22 LEU A 79 14.875 21.002 -22.181 1.00 41.01 H new ATOM 0 HD23 LEU A 79 16.484 21.617 -21.737 1.00 41.01 H new ATOM 1246 N SER A 80 19.178 18.040 -20.223 1.00 64.25 N ATOM 1247 CA SER A 80 20.628 18.062 -20.465 1.00 73.31 C ATOM 1248 C SER A 80 21.214 16.645 -20.545 1.00 24.12 C ATOM 1249 O SER A 80 22.017 16.343 -21.431 1.00 71.21 O ATOM 1250 CB SER A 80 21.343 18.847 -19.358 1.00 53.02 C ATOM 1251 OG SER A 80 22.741 18.897 -19.588 1.00 43.53 O ATOM 0 H SER A 80 18.897 18.463 -19.338 1.00 64.25 H new ATOM 0 HA SER A 80 20.787 18.552 -21.425 1.00 73.31 H new ATOM 0 HB2 SER A 80 20.943 19.860 -19.310 1.00 53.02 H new ATOM 0 HB3 SER A 80 21.147 18.381 -18.393 1.00 53.02 H new ATOM 0 HG SER A 80 23.173 19.404 -18.869 1.00 43.53 H new ATOM 1257 N GLU A 81 20.795 15.776 -19.624 1.00 21.20 N ATOM 1258 CA GLU A 81 21.312 14.402 -19.558 1.00 60.10 C ATOM 1259 C GLU A 81 20.848 13.555 -20.755 1.00 21.42 C ATOM 1260 O GLU A 81 21.608 12.740 -21.275 1.00 0.52 O ATOM 1261 CB GLU A 81 20.894 13.734 -18.237 1.00 74.24 C ATOM 1262 CG GLU A 81 21.502 14.398 -17.004 1.00 31.22 C ATOM 1263 CD GLU A 81 21.172 13.676 -15.706 1.00 41.34 C ATOM 1264 OE1 GLU A 81 21.779 12.620 -15.436 1.00 62.01 O ATOM 1265 OE2 GLU A 81 20.314 14.168 -14.943 1.00 50.21 O ATOM 0 H GLU A 81 20.099 15.996 -18.912 1.00 21.20 H new ATOM 0 HA GLU A 81 22.400 14.461 -19.600 1.00 60.10 H new ATOM 0 HB2 GLU A 81 19.807 13.757 -18.155 1.00 74.24 H new ATOM 0 HB3 GLU A 81 21.190 12.685 -18.259 1.00 74.24 H new ATOM 0 HG2 GLU A 81 22.585 14.443 -17.121 1.00 31.22 H new ATOM 0 HG3 GLU A 81 21.145 15.426 -16.941 1.00 31.22 H new ATOM 1272 N LEU A 82 19.604 13.750 -21.191 1.00 13.45 N ATOM 1273 CA LEU A 82 19.079 13.039 -22.368 1.00 11.44 C ATOM 1274 C LEU A 82 19.851 13.419 -23.645 1.00 5.11 C ATOM 1275 O LEU A 82 20.232 12.551 -24.436 1.00 2.05 O ATOM 1276 CB LEU A 82 17.585 13.336 -22.551 1.00 4.42 C ATOM 1277 CG LEU A 82 16.674 12.827 -21.424 1.00 54.12 C ATOM 1278 CD1 LEU A 82 15.230 13.243 -21.672 1.00 12.42 C ATOM 1279 CD2 LEU A 82 16.782 11.310 -21.286 1.00 14.11 C ATOM 0 H LEU A 82 18.940 14.389 -20.754 1.00 13.45 H new ATOM 0 HA LEU A 82 19.213 11.971 -22.196 1.00 11.44 H new ATOM 0 HB2 LEU A 82 17.454 14.414 -22.643 1.00 4.42 H new ATOM 0 HB3 LEU A 82 17.255 12.893 -23.491 1.00 4.42 H new ATOM 0 HG LEU A 82 17.004 13.278 -20.488 1.00 54.12 H new ATOM 0 HD11 LEU A 82 14.601 12.873 -20.863 1.00 12.42 H new ATOM 0 HD12 LEU A 82 15.167 14.330 -21.713 1.00 12.42 H new ATOM 0 HD13 LEU A 82 14.888 12.824 -22.618 1.00 12.42 H new ATOM 0 HD21 LEU A 82 16.129 10.970 -20.482 1.00 14.11 H new ATOM 0 HD22 LEU A 82 16.482 10.837 -22.221 1.00 14.11 H new ATOM 0 HD23 LEU A 82 17.812 11.038 -21.056 1.00 14.11 H new ATOM 1291 N GLN A 83 20.075 14.718 -23.841 1.00 60.23 N ATOM 1292 CA GLN A 83 20.854 15.204 -24.989 1.00 10.04 C ATOM 1293 C GLN A 83 22.291 14.655 -24.952 1.00 72.42 C ATOM 1294 O GLN A 83 22.823 14.204 -25.969 1.00 63.41 O ATOM 1295 CB GLN A 83 20.872 16.739 -25.016 1.00 51.35 C ATOM 1296 CG GLN A 83 19.486 17.364 -25.152 1.00 12.44 C ATOM 1297 CD GLN A 83 19.525 18.882 -25.184 1.00 21.21 C ATOM 1298 OE1 GLN A 83 19.614 19.494 -26.244 1.00 2.30 O ATOM 1299 NE2 GLN A 83 19.461 19.502 -24.024 1.00 11.20 N ATOM 0 H GLN A 83 19.731 15.454 -23.224 1.00 60.23 H new ATOM 0 HA GLN A 83 20.374 14.843 -25.899 1.00 10.04 H new ATOM 0 HB2 GLN A 83 21.338 17.105 -24.101 1.00 51.35 H new ATOM 0 HB3 GLN A 83 21.495 17.072 -25.846 1.00 51.35 H new ATOM 0 HG2 GLN A 83 19.015 16.998 -26.065 1.00 12.44 H new ATOM 0 HG3 GLN A 83 18.863 17.039 -24.319 1.00 12.44 H new ATOM 0 HE21 GLN A 83 19.387 18.963 -23.161 1.00 11.20 H new ATOM 0 HE22 GLN A 83 19.485 20.521 -23.988 1.00 11.20 H new ATOM 1308 N ASP A 84 22.905 14.688 -23.769 1.00 4.13 N ATOM 1309 CA ASP A 84 24.243 14.121 -23.566 1.00 72.12 C ATOM 1310 C ASP A 84 24.261 12.609 -23.857 1.00 62.04 C ATOM 1311 O ASP A 84 25.182 12.093 -24.501 1.00 54.11 O ATOM 1312 CB ASP A 84 24.696 14.383 -22.124 1.00 33.14 C ATOM 1313 CG ASP A 84 26.077 13.822 -21.836 1.00 2.33 C ATOM 1314 OD1 ASP A 84 27.071 14.408 -22.317 1.00 73.12 O ATOM 1315 OD2 ASP A 84 26.176 12.798 -21.125 1.00 31.45 O ATOM 0 H ASP A 84 22.496 15.103 -22.932 1.00 4.13 H new ATOM 0 HA ASP A 84 24.930 14.603 -24.262 1.00 72.12 H new ATOM 0 HB2 ASP A 84 24.698 15.457 -21.937 1.00 33.14 H new ATOM 0 HB3 ASP A 84 23.977 13.940 -21.435 1.00 33.14 H new ATOM 1320 N ALA A 85 23.231 11.913 -23.385 1.00 35.12 N ATOM 1321 CA ALA A 85 23.118 10.463 -23.550 1.00 0.10 C ATOM 1322 C ALA A 85 23.068 10.045 -25.028 1.00 63.33 C ATOM 1323 O ALA A 85 23.687 9.059 -25.420 1.00 64.32 O ATOM 1324 CB ALA A 85 21.888 9.946 -22.813 1.00 5.50 C ATOM 0 H ALA A 85 22.452 12.334 -22.879 1.00 35.12 H new ATOM 0 HA ALA A 85 24.015 10.017 -23.120 1.00 0.10 H new ATOM 0 HB1 ALA A 85 21.813 8.866 -22.942 1.00 5.50 H new ATOM 0 HB2 ALA A 85 21.975 10.179 -21.752 1.00 5.50 H new ATOM 0 HB3 ALA A 85 20.995 10.422 -23.217 1.00 5.50 H new ATOM 1330 N LYS A 86 22.320 10.778 -25.851 1.00 11.14 N ATOM 1331 CA LYS A 86 22.254 10.461 -27.283 1.00 14.40 C ATOM 1332 C LYS A 86 23.544 10.899 -28.009 1.00 63.31 C ATOM 1333 O LYS A 86 24.021 10.211 -28.911 1.00 42.33 O ATOM 1334 CB LYS A 86 21.007 11.091 -27.931 1.00 42.23 C ATOM 1335 CG LYS A 86 21.158 12.552 -28.350 1.00 61.05 C ATOM 1336 CD LYS A 86 19.839 13.126 -28.869 1.00 54.24 C ATOM 1337 CE LYS A 86 20.051 14.402 -29.676 1.00 60.10 C ATOM 1338 NZ LYS A 86 20.756 14.133 -30.958 1.00 10.12 N ATOM 0 H LYS A 86 21.760 11.580 -25.562 1.00 11.14 H new ATOM 0 HA LYS A 86 22.170 9.379 -27.383 1.00 14.40 H new ATOM 0 HB2 LYS A 86 20.738 10.504 -28.809 1.00 42.23 H new ATOM 0 HB3 LYS A 86 20.176 11.015 -27.230 1.00 42.23 H new ATOM 0 HG2 LYS A 86 21.503 13.141 -27.500 1.00 61.05 H new ATOM 0 HG3 LYS A 86 21.921 12.632 -29.125 1.00 61.05 H new ATOM 0 HD2 LYS A 86 19.339 12.383 -29.490 1.00 54.24 H new ATOM 0 HD3 LYS A 86 19.178 13.334 -28.028 1.00 54.24 H new ATOM 0 HE2 LYS A 86 19.087 14.867 -29.882 1.00 60.10 H new ATOM 0 HE3 LYS A 86 20.628 15.114 -29.086 1.00 60.10 H new ATOM 0 HZ1 LYS A 86 20.912 15.029 -31.463 1.00 10.12 H new ATOM 0 HZ2 LYS A 86 21.672 13.682 -30.762 1.00 10.12 H new ATOM 0 HZ3 LYS A 86 20.177 13.500 -31.546 1.00 10.12 H new ATOM 1352 N LEU A 87 24.117 12.030 -27.579 1.00 11.23 N ATOM 1353 CA LEU A 87 25.352 12.574 -28.178 1.00 13.43 C ATOM 1354 C LEU A 87 26.498 11.546 -28.167 1.00 24.20 C ATOM 1355 O LEU A 87 27.134 11.296 -29.194 1.00 0.33 O ATOM 1356 CB LEU A 87 25.782 13.845 -27.425 1.00 4.21 C ATOM 1357 CG LEU A 87 27.091 14.495 -27.907 1.00 32.02 C ATOM 1358 CD1 LEU A 87 26.979 14.937 -29.366 1.00 53.11 C ATOM 1359 CD2 LEU A 87 27.461 15.674 -27.009 1.00 20.04 C ATOM 0 H LEU A 87 23.745 12.593 -26.814 1.00 11.23 H new ATOM 0 HA LEU A 87 25.136 12.816 -29.219 1.00 13.43 H new ATOM 0 HB2 LEU A 87 24.982 14.581 -27.505 1.00 4.21 H new ATOM 0 HB3 LEU A 87 25.887 13.601 -26.368 1.00 4.21 H new ATOM 0 HG LEU A 87 27.885 13.751 -27.845 1.00 32.02 H new ATOM 0 HD11 LEU A 87 27.918 15.393 -29.681 1.00 53.11 H new ATOM 0 HD12 LEU A 87 26.768 14.071 -29.993 1.00 53.11 H new ATOM 0 HD13 LEU A 87 26.172 15.663 -29.465 1.00 53.11 H new ATOM 0 HD21 LEU A 87 28.389 16.123 -27.362 1.00 20.04 H new ATOM 0 HD22 LEU A 87 26.664 16.417 -27.037 1.00 20.04 H new ATOM 0 HD23 LEU A 87 27.594 15.324 -25.985 1.00 20.04 H new ATOM 1371 N LYS A 88 26.759 10.958 -27.000 1.00 53.35 N ATOM 1372 CA LYS A 88 27.799 9.925 -26.866 1.00 4.42 C ATOM 1373 C LYS A 88 27.522 8.731 -27.801 1.00 75.20 C ATOM 1374 O LYS A 88 28.429 8.208 -28.449 1.00 10.11 O ATOM 1375 CB LYS A 88 27.875 9.427 -25.410 1.00 41.31 C ATOM 1376 CG LYS A 88 26.570 8.802 -24.930 1.00 52.11 C ATOM 1377 CD LYS A 88 26.680 8.145 -23.559 1.00 11.33 C ATOM 1378 CE LYS A 88 25.383 7.429 -23.204 1.00 65.24 C ATOM 1379 NZ LYS A 88 25.460 6.727 -21.900 1.00 22.44 N ATOM 0 H LYS A 88 26.269 11.175 -26.132 1.00 53.35 H new ATOM 0 HA LYS A 88 28.751 10.375 -27.147 1.00 4.42 H new ATOM 0 HB2 LYS A 88 28.677 8.694 -25.323 1.00 41.31 H new ATOM 0 HB3 LYS A 88 28.134 10.262 -24.758 1.00 41.31 H new ATOM 0 HG2 LYS A 88 25.799 9.572 -24.895 1.00 52.11 H new ATOM 0 HG3 LYS A 88 26.244 8.057 -25.656 1.00 52.11 H new ATOM 0 HD2 LYS A 88 27.507 7.435 -23.555 1.00 11.33 H new ATOM 0 HD3 LYS A 88 26.904 8.899 -22.805 1.00 11.33 H new ATOM 0 HE2 LYS A 88 24.568 8.153 -23.176 1.00 65.24 H new ATOM 0 HE3 LYS A 88 25.143 6.709 -23.987 1.00 65.24 H new ATOM 0 HZ1 LYS A 88 24.764 5.954 -21.880 1.00 22.44 H new ATOM 0 HZ2 LYS A 88 26.415 6.336 -21.772 1.00 22.44 H new ATOM 0 HZ3 LYS A 88 25.255 7.398 -21.132 1.00 22.44 H new ATOM 1393 N ALA A 89 26.253 8.323 -27.873 1.00 0.30 N ATOM 1394 CA ALA A 89 25.845 7.151 -28.652 1.00 64.24 C ATOM 1395 C ALA A 89 26.014 7.370 -30.163 1.00 35.34 C ATOM 1396 O ALA A 89 26.494 6.490 -30.879 1.00 73.45 O ATOM 1397 CB ALA A 89 24.400 6.788 -28.324 1.00 44.32 C ATOM 0 H ALA A 89 25.483 8.792 -27.396 1.00 0.30 H new ATOM 0 HA ALA A 89 26.500 6.325 -28.374 1.00 64.24 H new ATOM 0 HB1 ALA A 89 24.103 5.916 -28.906 1.00 44.32 H new ATOM 0 HB2 ALA A 89 24.314 6.561 -27.261 1.00 44.32 H new ATOM 0 HB3 ALA A 89 23.749 7.627 -28.570 1.00 44.32 H new ATOM 1403 N GLU A 90 25.636 8.556 -30.638 1.00 61.34 N ATOM 1404 CA GLU A 90 25.711 8.889 -32.070 1.00 43.53 C ATOM 1405 C GLU A 90 27.163 8.940 -32.588 1.00 45.14 C ATOM 1406 O GLU A 90 27.395 9.095 -33.789 1.00 70.25 O ATOM 1407 CB GLU A 90 25.007 10.232 -32.335 1.00 1.30 C ATOM 1408 CG GLU A 90 23.514 10.217 -32.009 1.00 62.04 C ATOM 1409 CD GLU A 90 22.825 11.544 -32.294 1.00 64.24 C ATOM 1410 OE1 GLU A 90 22.846 12.438 -31.421 1.00 42.21 O ATOM 1411 OE2 GLU A 90 22.250 11.699 -33.396 1.00 20.33 O ATOM 0 H GLU A 90 25.272 9.309 -30.054 1.00 61.34 H new ATOM 0 HA GLU A 90 25.203 8.093 -32.615 1.00 43.53 H new ATOM 0 HB2 GLU A 90 25.491 11.009 -31.744 1.00 1.30 H new ATOM 0 HB3 GLU A 90 25.138 10.501 -33.383 1.00 1.30 H new ATOM 0 HG2 GLU A 90 23.030 9.432 -32.589 1.00 62.04 H new ATOM 0 HG3 GLU A 90 23.381 9.964 -30.957 1.00 62.04 H new ATOM 1418 N GLY A 91 28.135 8.819 -31.683 1.00 2.43 N ATOM 1419 CA GLY A 91 29.542 8.826 -32.081 1.00 24.21 C ATOM 1420 C GLY A 91 30.275 7.519 -31.780 1.00 71.14 C ATOM 1421 O GLY A 91 31.483 7.418 -32.009 1.00 12.12 O ATOM 0 H GLY A 91 27.976 8.716 -30.681 1.00 2.43 H new ATOM 0 HA2 GLY A 91 29.607 9.030 -33.150 1.00 24.21 H new ATOM 0 HA3 GLY A 91 30.051 9.643 -31.569 1.00 24.21 H new ATOM 1425 N LEU A 92 29.557 6.511 -31.282 1.00 1.22 N ATOM 1426 CA LEU A 92 30.177 5.228 -30.908 1.00 33.12 C ATOM 1427 C LEU A 92 30.738 4.474 -32.128 1.00 52.33 C ATOM 1428 O LEU A 92 31.954 4.290 -32.254 1.00 22.30 O ATOM 1429 CB LEU A 92 29.168 4.336 -30.165 1.00 41.13 C ATOM 1430 CG LEU A 92 28.701 4.860 -28.795 1.00 72.02 C ATOM 1431 CD1 LEU A 92 27.686 3.905 -28.171 1.00 72.42 C ATOM 1432 CD2 LEU A 92 29.890 5.071 -27.858 1.00 53.33 C ATOM 0 H LEU A 92 28.550 6.552 -31.127 1.00 1.22 H new ATOM 0 HA LEU A 92 31.012 5.461 -30.248 1.00 33.12 H new ATOM 0 HB2 LEU A 92 28.293 4.201 -30.800 1.00 41.13 H new ATOM 0 HB3 LEU A 92 29.615 3.352 -30.025 1.00 41.13 H new ATOM 0 HG LEU A 92 28.216 5.824 -28.948 1.00 72.02 H new ATOM 0 HD11 LEU A 92 27.368 4.293 -27.203 1.00 72.42 H new ATOM 0 HD12 LEU A 92 26.821 3.814 -28.827 1.00 72.42 H new ATOM 0 HD13 LEU A 92 28.144 2.925 -28.036 1.00 72.42 H new ATOM 0 HD21 LEU A 92 29.534 5.441 -26.897 1.00 53.33 H new ATOM 0 HD22 LEU A 92 30.411 4.125 -27.712 1.00 53.33 H new ATOM 0 HD23 LEU A 92 30.574 5.798 -28.296 1.00 53.33 H new ATOM 1444 N GLU A 93 29.852 4.043 -33.027 1.00 53.52 N ATOM 1445 CA GLU A 93 30.259 3.256 -34.199 1.00 75.13 C ATOM 1446 C GLU A 93 30.216 4.101 -35.491 1.00 3.33 C ATOM 1447 O GLU A 93 29.920 5.297 -35.448 1.00 13.42 O ATOM 1448 CB GLU A 93 29.395 1.984 -34.301 1.00 1.33 C ATOM 1449 CG GLU A 93 27.900 2.218 -34.527 1.00 24.12 C ATOM 1450 CD GLU A 93 27.556 2.410 -35.992 1.00 52.13 C ATOM 1451 OE1 GLU A 93 27.724 1.441 -36.767 1.00 64.43 O ATOM 1452 OE2 GLU A 93 27.159 3.530 -36.379 1.00 54.02 O ATOM 0 H GLU A 93 28.850 4.223 -32.969 1.00 53.52 H new ATOM 0 HA GLU A 93 31.297 2.947 -34.073 1.00 75.13 H new ATOM 0 HB2 GLU A 93 29.776 1.372 -35.118 1.00 1.33 H new ATOM 0 HB3 GLU A 93 29.520 1.407 -33.385 1.00 1.33 H new ATOM 0 HG2 GLU A 93 27.339 1.370 -34.134 1.00 24.12 H new ATOM 0 HG3 GLU A 93 27.584 3.097 -33.965 1.00 24.12 H new ATOM 1459 N HIS A 94 30.516 3.486 -36.641 1.00 20.01 N ATOM 1460 CA HIS A 94 30.693 4.246 -37.893 1.00 60.40 C ATOM 1461 C HIS A 94 29.849 3.696 -39.066 1.00 34.52 C ATOM 1462 O HIS A 94 30.384 3.328 -40.115 1.00 51.34 O ATOM 1463 CB HIS A 94 32.185 4.280 -38.267 1.00 12.33 C ATOM 1464 CG HIS A 94 32.817 2.921 -38.384 1.00 72.44 C ATOM 1465 ND1 HIS A 94 33.268 2.201 -37.297 1.00 22.33 N ATOM 1466 CD2 HIS A 94 33.073 2.148 -39.470 1.00 4.21 C ATOM 1467 CE1 HIS A 94 33.770 1.052 -37.708 1.00 14.14 C ATOM 1468 NE2 HIS A 94 33.663 0.995 -39.019 1.00 41.41 N ATOM 0 H HIS A 94 30.641 2.478 -36.735 1.00 20.01 H new ATOM 0 HA HIS A 94 30.331 5.258 -37.711 1.00 60.40 H new ATOM 0 HB2 HIS A 94 32.300 4.805 -39.215 1.00 12.33 H new ATOM 0 HB3 HIS A 94 32.724 4.857 -37.516 1.00 12.33 H new ATOM 0 HD2 HIS A 94 32.853 2.395 -40.498 1.00 4.21 H new ATOM 0 HE1 HIS A 94 34.197 0.287 -37.076 1.00 14.14 H new ATOM 0 HE2 HIS A 94 33.970 0.218 -39.605 1.00 41.41 H new ATOM 1477 N HIS A 95 28.530 3.665 -38.893 1.00 62.14 N ATOM 1478 CA HIS A 95 27.607 3.276 -39.972 1.00 63.11 C ATOM 1479 C HIS A 95 27.165 4.515 -40.771 1.00 61.41 C ATOM 1480 O HIS A 95 26.766 4.417 -41.932 1.00 2.31 O ATOM 1481 CB HIS A 95 26.379 2.563 -39.380 1.00 4.10 C ATOM 1482 CG HIS A 95 25.543 1.816 -40.380 1.00 63.12 C ATOM 1483 ND1 HIS A 95 25.584 0.447 -40.511 1.00 42.02 N ATOM 1484 CD2 HIS A 95 24.614 2.243 -41.269 1.00 5.15 C ATOM 1485 CE1 HIS A 95 24.725 0.064 -41.430 1.00 31.34 C ATOM 1486 NE2 HIS A 95 24.120 1.131 -41.908 1.00 41.34 N ATOM 0 H HIS A 95 28.069 3.904 -38.015 1.00 62.14 H new ATOM 0 HA HIS A 95 28.124 2.593 -40.647 1.00 63.11 H new ATOM 0 HB2 HIS A 95 26.716 1.864 -38.614 1.00 4.10 H new ATOM 0 HB3 HIS A 95 25.751 3.302 -38.883 1.00 4.10 H new ATOM 0 HD2 HIS A 95 24.317 3.267 -41.443 1.00 5.15 H new ATOM 0 HE1 HIS A 95 24.546 -0.955 -41.740 1.00 31.34 H new ATOM 0 HE2 HIS A 95 23.403 1.132 -42.633 1.00 41.34 H new ATOM 1495 N HIS A 96 27.231 5.682 -40.127 1.00 13.41 N ATOM 1496 CA HIS A 96 26.851 6.960 -40.751 1.00 75.31 C ATOM 1497 C HIS A 96 28.061 7.902 -40.900 1.00 61.43 C ATOM 1498 O HIS A 96 27.894 9.113 -41.034 1.00 1.52 O ATOM 1499 CB HIS A 96 25.764 7.651 -39.912 1.00 60.34 C ATOM 1500 CG HIS A 96 24.453 6.921 -39.881 1.00 41.01 C ATOM 1501 ND1 HIS A 96 23.401 7.235 -40.716 1.00 12.52 N ATOM 1502 CD2 HIS A 96 24.019 5.897 -39.107 1.00 3.53 C ATOM 1503 CE1 HIS A 96 22.381 6.440 -40.458 1.00 0.35 C ATOM 1504 NE2 HIS A 96 22.729 5.620 -39.489 1.00 21.54 N ATOM 0 H HIS A 96 27.548 5.772 -39.162 1.00 13.41 H new ATOM 0 HA HIS A 96 26.467 6.740 -41.747 1.00 75.31 H new ATOM 0 HB2 HIS A 96 26.127 7.766 -38.891 1.00 60.34 H new ATOM 0 HB3 HIS A 96 25.599 8.654 -40.306 1.00 60.34 H new ATOM 0 HD2 HIS A 96 24.582 5.393 -38.335 1.00 3.53 H new ATOM 0 HE1 HIS A 96 21.423 6.459 -40.957 1.00 0.35 H new ATOM 0 HE2 HIS A 96 22.136 4.895 -39.086 1.00 21.54 H new ATOM 1513 N HIS A 97 29.273 7.335 -40.874 1.00 5.51 N ATOM 1514 CA HIS A 97 30.535 8.106 -40.967 1.00 74.14 C ATOM 1515 C HIS A 97 30.833 8.941 -39.702 1.00 1.32 C ATOM 1516 O HIS A 97 31.996 9.228 -39.402 1.00 30.40 O ATOM 1517 CB HIS A 97 30.541 9.019 -42.205 1.00 3.13 C ATOM 1518 CG HIS A 97 30.526 8.275 -43.505 1.00 61.25 C ATOM 1519 ND1 HIS A 97 31.670 7.974 -44.211 1.00 70.15 N ATOM 1520 CD2 HIS A 97 29.499 7.778 -44.235 1.00 4.24 C ATOM 1521 CE1 HIS A 97 31.351 7.329 -45.313 1.00 73.24 C ATOM 1522 NE2 HIS A 97 30.041 7.195 -45.352 1.00 14.41 N ATOM 0 H HIS A 97 29.415 6.329 -40.788 1.00 5.51 H new ATOM 0 HA HIS A 97 31.327 7.363 -41.060 1.00 74.14 H new ATOM 0 HB2 HIS A 97 29.673 9.677 -42.164 1.00 3.13 H new ATOM 0 HB3 HIS A 97 31.425 9.655 -42.171 1.00 3.13 H new ATOM 0 HD2 HIS A 97 28.450 7.831 -43.984 1.00 4.24 H new ATOM 0 HE1 HIS A 97 32.045 6.970 -46.059 1.00 73.24 H new ATOM 0 HE2 HIS A 97 29.515 6.732 -46.093 1.00 14.41 H new ATOM 1531 N HIS A 98 29.793 9.330 -38.969 1.00 61.33 N ATOM 1532 CA HIS A 98 29.946 10.173 -37.779 1.00 3.41 C ATOM 1533 C HIS A 98 30.715 9.444 -36.661 1.00 21.24 C ATOM 1534 O HIS A 98 30.389 8.311 -36.302 1.00 3.11 O ATOM 1535 CB HIS A 98 28.564 10.609 -37.274 1.00 2.21 C ATOM 1536 CG HIS A 98 28.608 11.691 -36.238 1.00 41.32 C ATOM 1537 ND1 HIS A 98 28.407 11.460 -34.896 1.00 34.52 N ATOM 1538 CD2 HIS A 98 28.810 13.027 -36.357 1.00 73.33 C ATOM 1539 CE1 HIS A 98 28.479 12.598 -34.237 1.00 45.21 C ATOM 1540 NE2 HIS A 98 28.722 13.561 -35.098 1.00 51.52 N ATOM 0 H HIS A 98 28.828 9.075 -39.177 1.00 61.33 H new ATOM 0 HA HIS A 98 30.527 11.052 -38.059 1.00 3.41 H new ATOM 0 HB2 HIS A 98 27.971 10.955 -38.121 1.00 2.21 H new ATOM 0 HB3 HIS A 98 28.050 9.742 -36.858 1.00 2.21 H new ATOM 0 HD1 HIS A 98 28.230 10.547 -34.476 1.00 34.52 H new ATOM 0 HD2 HIS A 98 29.004 13.568 -37.272 1.00 73.33 H new ATOM 0 HE1 HIS A 98 28.359 12.719 -33.171 1.00 45.21 H new ATOM 1549 N HIS A 99 31.733 10.109 -36.113 1.00 33.33 N ATOM 1550 CA HIS A 99 32.569 9.528 -35.053 1.00 33.23 C ATOM 1551 C HIS A 99 32.983 10.584 -34.007 1.00 33.03 C ATOM 1552 O HIS A 99 33.674 11.556 -34.378 1.00 37.01 O ATOM 1553 CB HIS A 99 33.806 8.846 -35.668 1.00 11.43 C ATOM 1554 CG HIS A 99 34.628 9.734 -36.553 1.00 71.11 C ATOM 1555 ND1 HIS A 99 34.190 10.192 -37.776 1.00 3.11 N ATOM 1556 CD2 HIS A 99 35.871 10.249 -36.389 1.00 43.23 C ATOM 1557 CE1 HIS A 99 35.120 10.943 -38.324 1.00 42.21 C ATOM 1558 NE2 HIS A 99 36.150 10.995 -37.506 1.00 11.44 N ATOM 1559 OXT HIS A 99 32.629 10.426 -32.817 1.00 37.01 O ATOM 0 H HIS A 99 32.002 11.055 -36.385 1.00 33.33 H new ATOM 0 HA HIS A 99 31.976 8.777 -34.531 1.00 33.23 H new ATOM 0 HB2 HIS A 99 34.438 8.472 -34.862 1.00 11.43 H new ATOM 0 HB3 HIS A 99 33.479 7.981 -36.245 1.00 11.43 H new ATOM 0 HD1 HIS A 99 33.283 9.981 -38.193 1.00 3.11 H new ATOM 0 HD2 HIS A 99 36.520 10.100 -35.539 1.00 43.23 H new ATOM 0 HE1 HIS A 99 35.050 11.434 -39.283 1.00 42.21 H new TER 1568 HIS A 99