USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=21 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 10 TYR OH : rot 180:sc= -0.363 USER MOD Set 1.2: A 14 GLN : amide:sc= -0.203 K(o=-0.93,f=0.68) USER MOD Set 1.3: A 45 HIS : no HD1:sc= -0.362 K(o=-0.93,f=1.1) USER MOD Single : A 1 GLU N :NH3+ -176:sc= 0.952 (180deg=0.856) USER MOD Single : A 8 THR OG1 : rot 178:sc= -1.91! USER MOD Single : A 16 HIS : no HD1:sc= -0.907 K(o=-0.91,f=-0.029) USER MOD Single : A 18 LYS NZ :NH3+ 169:sc= 1.23 (180deg=0.966) USER MOD Single : A 19 HIS : no HD1:sc= -0.603 K(o=-0.6,f=0.031) USER MOD Single : A 21 ASN : amide:sc= -0.306 K(o=-0.31,f=-2.8!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 99:sc= -0.547 USER MOD Single : A 39 TYR OH : rot -157:sc= 1.17 USER MOD Single : A 42 THR OG1 : rot 66:sc= 0.467 USER MOD Single : A 43 TYR OH : rot 21:sc= 0.939 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 153:sc= -1.63! (180deg=-2.6!) USER MOD Single : A 50 TYR OH : rot 19:sc= 0.035 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 72:sc= 0.738 USER MOD Single : A 63 TYR OH : rot -150:sc= -1.95! USER MOD Single : A 65 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.086) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.495 USER MOD Single : A 76 GLN : amide:sc= -0.884 K(o=-0.88,f=-2) USER MOD Single : A 77 LYS NZ :NH3+ -147:sc= 1.15 (180deg=0.463) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.789 K(o=-0.79,f=0) USER MOD Single : A 86 LYS NZ :NH3+ -132:sc= 0.903 (180deg=-0.405) USER MOD Single : A 88 LYS NZ :NH3+ -177:sc= 1.1 (180deg=1.09) USER MOD Single : A 94 HIS : no HD1:sc= -0.0327 X(o=-0.033,f=-0.033) USER MOD Single : A 95 HIS : no HE2:sc= 1.03 K(o=1,f=-3.8!) 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=-0.047) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.0323 X(o=-0.032,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.737 2.727 -2.917 1.00 32.03 N ATOM 2 CA GLU A 1 3.477 1.464 -2.642 1.00 52.41 C ATOM 3 C GLU A 1 2.813 0.251 -3.311 1.00 30.10 C ATOM 4 O GLU A 1 3.068 -0.896 -2.943 1.00 10.52 O ATOM 5 CB GLU A 1 3.595 1.246 -1.128 1.00 63.33 C ATOM 6 CG GLU A 1 4.389 2.338 -0.416 1.00 4.13 C ATOM 7 CD GLU A 1 5.796 2.499 -0.976 1.00 14.31 C ATOM 8 OE1 GLU A 1 6.684 1.696 -0.611 1.00 64.01 O ATOM 9 OE2 GLU A 1 6.014 3.412 -1.798 1.00 24.44 O ATOM 0 H1 GLU A 1 3.255 3.529 -2.505 1.00 32.03 H new ATOM 0 H2 GLU A 1 2.650 2.862 -3.945 1.00 32.03 H new ATOM 0 H3 GLU A 1 1.789 2.673 -2.494 1.00 32.03 H new ATOM 0 HA GLU A 1 4.474 1.562 -3.071 1.00 52.41 H new ATOM 0 HB2 GLU A 1 2.595 1.195 -0.697 1.00 63.33 H new ATOM 0 HB3 GLU A 1 4.071 0.283 -0.944 1.00 63.33 H new ATOM 0 HG2 GLU A 1 3.857 3.285 -0.504 1.00 4.13 H new ATOM 0 HG3 GLU A 1 4.450 2.104 0.647 1.00 4.13 H new ATOM 18 N ASP A 2 1.960 0.515 -4.293 1.00 10.12 N ATOM 19 CA ASP A 2 1.331 -0.538 -5.092 1.00 1.25 C ATOM 20 C ASP A 2 2.008 -0.635 -6.467 1.00 64.15 C ATOM 21 O ASP A 2 2.538 0.360 -6.967 1.00 34.13 O ATOM 22 CB ASP A 2 -0.157 -0.225 -5.270 1.00 45.31 C ATOM 23 CG ASP A 2 -0.848 0.032 -3.946 1.00 33.11 C ATOM 24 OD1 ASP A 2 -0.709 1.152 -3.413 1.00 72.31 O ATOM 25 OD2 ASP A 2 -1.534 -0.879 -3.436 1.00 2.51 O ATOM 0 H ASP A 2 1.683 1.460 -4.560 1.00 10.12 H new ATOM 0 HA ASP A 2 1.443 -1.491 -4.576 1.00 1.25 H new ATOM 0 HB2 ASP A 2 -0.269 0.648 -5.912 1.00 45.31 H new ATOM 0 HB3 ASP A 2 -0.644 -1.058 -5.777 1.00 45.31 H new ATOM 30 N PRO A 3 1.992 -1.821 -7.113 1.00 73.21 N ATOM 31 CA PRO A 3 2.566 -1.990 -8.463 1.00 61.23 C ATOM 32 C PRO A 3 1.947 -1.015 -9.481 1.00 22.44 C ATOM 33 O PRO A 3 2.501 -0.778 -10.555 1.00 35.54 O ATOM 34 CB PRO A 3 2.229 -3.452 -8.823 1.00 42.14 C ATOM 35 CG PRO A 3 1.158 -3.856 -7.862 1.00 53.21 C ATOM 36 CD PRO A 3 1.421 -3.078 -6.602 1.00 42.04 C ATOM 0 HA PRO A 3 3.635 -1.778 -8.484 1.00 61.23 H new ATOM 0 HB2 PRO A 3 1.884 -3.534 -9.854 1.00 42.14 H new ATOM 0 HB3 PRO A 3 3.106 -4.093 -8.728 1.00 42.14 H new ATOM 0 HG2 PRO A 3 0.169 -3.630 -8.261 1.00 53.21 H new ATOM 0 HG3 PRO A 3 1.188 -4.929 -7.672 1.00 53.21 H new ATOM 0 HD2 PRO A 3 0.507 -2.906 -6.034 1.00 42.04 H new ATOM 0 HD3 PRO A 3 2.114 -3.599 -5.941 1.00 42.04 H new ATOM 44 N GLU A 4 0.798 -0.446 -9.114 1.00 23.45 N ATOM 45 CA GLU A 4 0.092 0.527 -9.950 1.00 43.53 C ATOM 46 C GLU A 4 0.903 1.823 -10.113 1.00 3.31 C ATOM 47 O GLU A 4 0.968 2.394 -11.203 1.00 51.22 O ATOM 48 CB GLU A 4 -1.274 0.856 -9.324 1.00 33.02 C ATOM 49 CG GLU A 4 -2.040 -0.364 -8.812 1.00 23.05 C ATOM 50 CD GLU A 4 -2.343 -1.386 -9.897 1.00 43.44 C ATOM 51 OE1 GLU A 4 -1.493 -2.265 -10.148 1.00 51.24 O ATOM 52 OE2 GLU A 4 -3.434 -1.318 -10.496 1.00 71.11 O ATOM 0 H GLU A 4 0.331 -0.646 -8.230 1.00 23.45 H new ATOM 0 HA GLU A 4 -0.046 0.083 -10.936 1.00 43.53 H new ATOM 0 HB2 GLU A 4 -1.124 1.550 -8.497 1.00 33.02 H new ATOM 0 HB3 GLU A 4 -1.886 1.370 -10.065 1.00 33.02 H new ATOM 0 HG2 GLU A 4 -1.460 -0.843 -8.023 1.00 23.05 H new ATOM 0 HG3 GLU A 4 -2.977 -0.034 -8.363 1.00 23.05 H new ATOM 59 N ASP A 5 1.536 2.266 -9.023 1.00 41.44 N ATOM 60 CA ASP A 5 2.247 3.551 -9.002 1.00 2.31 C ATOM 61 C ASP A 5 3.433 3.569 -9.986 1.00 74.25 C ATOM 62 O ASP A 5 4.230 2.627 -10.025 1.00 75.20 O ATOM 63 CB ASP A 5 2.761 3.859 -7.589 1.00 10.24 C ATOM 64 CG ASP A 5 1.698 3.704 -6.519 1.00 43.11 C ATOM 65 OD1 ASP A 5 0.594 4.261 -6.678 1.00 13.32 O ATOM 66 OD2 ASP A 5 1.964 3.022 -5.508 1.00 1.00 O ATOM 0 H ASP A 5 1.572 1.754 -8.141 1.00 41.44 H new ATOM 0 HA ASP A 5 1.532 4.314 -9.311 1.00 2.31 H new ATOM 0 HB2 ASP A 5 3.596 3.197 -7.361 1.00 10.24 H new ATOM 0 HB3 ASP A 5 3.147 4.878 -7.564 1.00 10.24 H new ATOM 71 N PRO A 6 3.578 4.655 -10.775 1.00 71.34 N ATOM 72 CA PRO A 6 4.678 4.796 -11.747 1.00 65.43 C ATOM 73 C PRO A 6 6.060 4.525 -11.129 1.00 31.22 C ATOM 74 O PRO A 6 6.801 3.658 -11.592 1.00 43.40 O ATOM 75 CB PRO A 6 4.573 6.256 -12.198 1.00 53.43 C ATOM 76 CG PRO A 6 3.148 6.635 -11.964 1.00 71.12 C ATOM 77 CD PRO A 6 2.677 5.826 -10.784 1.00 41.33 C ATOM 0 HA PRO A 6 4.589 4.074 -12.559 1.00 65.43 H new ATOM 0 HB2 PRO A 6 5.249 6.894 -11.629 1.00 53.43 H new ATOM 0 HB3 PRO A 6 4.842 6.364 -13.249 1.00 53.43 H new ATOM 0 HG2 PRO A 6 3.059 7.703 -11.763 1.00 71.12 H new ATOM 0 HG3 PRO A 6 2.541 6.425 -12.845 1.00 71.12 H new ATOM 0 HD2 PRO A 6 2.749 6.393 -9.856 1.00 41.33 H new ATOM 0 HD3 PRO A 6 1.635 5.527 -10.895 1.00 41.33 H new ATOM 85 N PHE A 7 6.392 5.266 -10.073 1.00 22.20 N ATOM 86 CA PHE A 7 7.686 5.118 -9.398 1.00 22.03 C ATOM 87 C PHE A 7 7.855 3.716 -8.783 1.00 52.15 C ATOM 88 O PHE A 7 8.962 3.179 -8.742 1.00 44.44 O ATOM 89 CB PHE A 7 7.849 6.192 -8.312 1.00 11.53 C ATOM 90 CG PHE A 7 9.195 6.163 -7.625 1.00 14.41 C ATOM 91 CD1 PHE A 7 10.303 6.753 -8.217 1.00 15.41 C ATOM 92 CD2 PHE A 7 9.355 5.538 -6.396 1.00 24.54 C ATOM 93 CE1 PHE A 7 11.538 6.721 -7.598 1.00 3.03 C ATOM 94 CE2 PHE A 7 10.589 5.503 -5.775 1.00 41.25 C ATOM 95 CZ PHE A 7 11.681 6.094 -6.377 1.00 71.34 C ATOM 0 H PHE A 7 5.784 5.976 -9.664 1.00 22.20 H new ATOM 0 HA PHE A 7 8.463 5.246 -10.152 1.00 22.03 H new ATOM 0 HB2 PHE A 7 7.701 7.174 -8.760 1.00 11.53 H new ATOM 0 HB3 PHE A 7 7.067 6.062 -7.564 1.00 11.53 H new ATOM 0 HD1 PHE A 7 10.199 7.243 -9.174 1.00 15.41 H new ATOM 0 HD2 PHE A 7 8.505 5.073 -5.919 1.00 24.54 H new ATOM 0 HE1 PHE A 7 12.391 7.186 -8.070 1.00 3.03 H new ATOM 0 HE2 PHE A 7 10.699 5.013 -4.819 1.00 41.25 H new ATOM 0 HZ PHE A 7 12.646 6.066 -5.893 1.00 71.34 H new ATOM 105 N THR A 8 6.756 3.121 -8.315 1.00 62.30 N ATOM 106 CA THR A 8 6.819 1.790 -7.687 1.00 53.21 C ATOM 107 C THR A 8 7.183 0.708 -8.713 1.00 35.24 C ATOM 108 O THR A 8 8.167 -0.010 -8.551 1.00 23.10 O ATOM 109 CB THR A 8 5.481 1.396 -7.011 1.00 54.23 C ATOM 110 OG1 THR A 8 5.054 2.420 -6.099 1.00 24.32 O ATOM 111 CG2 THR A 8 5.613 0.074 -6.257 1.00 53.04 C ATOM 0 H THR A 8 5.822 3.529 -8.355 1.00 62.30 H new ATOM 0 HA THR A 8 7.594 1.854 -6.924 1.00 53.21 H new ATOM 0 HB THR A 8 4.738 1.280 -7.800 1.00 54.23 H new ATOM 0 HG1 THR A 8 4.191 2.170 -5.707 1.00 24.32 H new ATOM 0 HG21 THR A 8 4.659 -0.177 -5.793 1.00 53.04 H new ATOM 0 HG22 THR A 8 5.897 -0.715 -6.953 1.00 53.04 H new ATOM 0 HG23 THR A 8 6.377 0.170 -5.486 1.00 53.04 H new ATOM 119 N ARG A 9 6.394 0.609 -9.783 1.00 24.33 N ATOM 120 CA ARG A 9 6.660 -0.363 -10.856 1.00 54.42 C ATOM 121 C ARG A 9 8.028 -0.089 -11.512 1.00 71.35 C ATOM 122 O ARG A 9 8.723 -1.009 -11.950 1.00 14.02 O ATOM 123 CB ARG A 9 5.520 -0.320 -11.890 1.00 65.35 C ATOM 124 CG ARG A 9 5.339 1.042 -12.557 1.00 11.12 C ATOM 125 CD ARG A 9 3.890 1.299 -12.976 1.00 34.32 C ATOM 126 NE ARG A 9 3.388 0.312 -13.929 1.00 41.25 N ATOM 127 CZ ARG A 9 2.142 -0.086 -13.978 1.00 64.32 C ATOM 128 NH1 ARG A 9 1.268 0.363 -13.133 1.00 43.22 N ATOM 129 NH2 ARG A 9 1.777 -0.944 -14.868 1.00 23.02 N ATOM 0 H ARG A 9 5.567 1.186 -9.934 1.00 24.33 H new ATOM 0 HA ARG A 9 6.699 -1.365 -10.430 1.00 54.42 H new ATOM 0 HB2 ARG A 9 5.713 -1.067 -12.660 1.00 65.35 H new ATOM 0 HB3 ARG A 9 4.588 -0.600 -11.400 1.00 65.35 H new ATOM 0 HG2 ARG A 9 5.660 1.825 -11.870 1.00 11.12 H new ATOM 0 HG3 ARG A 9 5.984 1.103 -13.434 1.00 11.12 H new ATOM 0 HD2 ARG A 9 3.255 1.296 -12.090 1.00 34.32 H new ATOM 0 HD3 ARG A 9 3.816 2.293 -13.418 1.00 34.32 H new ATOM 0 HE ARG A 9 4.047 -0.091 -14.595 1.00 41.25 H new ATOM 0 HH11 ARG A 9 1.548 1.035 -12.418 1.00 43.22 H new ATOM 0 HH12 ARG A 9 0.300 0.044 -13.182 1.00 43.22 H new ATOM 0 HH21 ARG A 9 2.459 -1.311 -15.532 1.00 23.02 H new ATOM 0 HH22 ARG A 9 0.807 -1.256 -14.908 1.00 23.02 H new ATOM 143 N TYR A 10 8.404 1.187 -11.552 1.00 63.41 N ATOM 144 CA TYR A 10 9.745 1.610 -11.975 1.00 33.23 C ATOM 145 C TYR A 10 10.825 1.036 -11.040 1.00 72.44 C ATOM 146 O TYR A 10 11.852 0.523 -11.493 1.00 61.14 O ATOM 147 CB TYR A 10 9.798 3.145 -11.983 1.00 53.33 C ATOM 148 CG TYR A 10 11.184 3.752 -12.112 1.00 45.00 C ATOM 149 CD1 TYR A 10 11.787 3.916 -13.355 1.00 53.20 C ATOM 150 CD2 TYR A 10 11.878 4.188 -10.985 1.00 44.03 C ATOM 151 CE1 TYR A 10 13.038 4.491 -13.468 1.00 34.13 C ATOM 152 CE2 TYR A 10 13.124 4.768 -11.094 1.00 40.45 C ATOM 153 CZ TYR A 10 13.700 4.916 -12.335 1.00 63.40 C ATOM 154 OH TYR A 10 14.940 5.505 -12.446 1.00 11.24 O ATOM 0 H TYR A 10 7.791 1.960 -11.293 1.00 63.41 H new ATOM 0 HA TYR A 10 9.944 1.229 -12.977 1.00 33.23 H new ATOM 0 HB2 TYR A 10 9.184 3.508 -12.807 1.00 53.33 H new ATOM 0 HB3 TYR A 10 9.345 3.511 -11.062 1.00 53.33 H new ATOM 0 HD1 TYR A 10 11.269 3.589 -14.245 1.00 53.20 H new ATOM 0 HD2 TYR A 10 11.432 4.069 -10.009 1.00 44.03 H new ATOM 0 HE1 TYR A 10 13.496 4.607 -14.439 1.00 34.13 H new ATOM 0 HE2 TYR A 10 13.645 5.104 -10.210 1.00 40.45 H new ATOM 0 HH TYR A 10 15.268 5.747 -11.555 1.00 11.24 H new ATOM 164 N ALA A 11 10.582 1.128 -9.731 1.00 53.32 N ATOM 165 CA ALA A 11 11.495 0.571 -8.729 1.00 5.44 C ATOM 166 C ALA A 11 11.635 -0.948 -8.893 1.00 13.11 C ATOM 167 O ALA A 11 12.742 -1.482 -8.873 1.00 35.22 O ATOM 168 CB ALA A 11 11.023 0.919 -7.320 1.00 34.13 C ATOM 0 H ALA A 11 9.758 1.584 -9.339 1.00 53.32 H new ATOM 0 HA ALA A 11 12.477 1.017 -8.884 1.00 5.44 H new ATOM 0 HB1 ALA A 11 11.714 0.497 -6.590 1.00 34.13 H new ATOM 0 HB2 ALA A 11 10.991 2.002 -7.204 1.00 34.13 H new ATOM 0 HB3 ALA A 11 10.027 0.507 -7.158 1.00 34.13 H new ATOM 174 N LEU A 12 10.505 -1.640 -9.074 1.00 53.14 N ATOM 175 CA LEU A 12 10.516 -3.088 -9.337 1.00 25.54 C ATOM 176 C LEU A 12 11.339 -3.423 -10.592 1.00 71.45 C ATOM 177 O LEU A 12 12.019 -4.450 -10.645 1.00 41.02 O ATOM 178 CB LEU A 12 9.083 -3.641 -9.479 1.00 70.14 C ATOM 179 CG LEU A 12 8.356 -3.980 -8.163 1.00 53.42 C ATOM 180 CD1 LEU A 12 9.135 -5.023 -7.365 1.00 35.40 C ATOM 181 CD2 LEU A 12 8.116 -2.729 -7.325 1.00 55.33 C ATOM 0 H LEU A 12 9.574 -1.225 -9.044 1.00 53.14 H new ATOM 0 HA LEU A 12 10.988 -3.567 -8.479 1.00 25.54 H new ATOM 0 HB2 LEU A 12 8.485 -2.910 -10.023 1.00 70.14 H new ATOM 0 HB3 LEU A 12 9.121 -4.541 -10.092 1.00 70.14 H new ATOM 0 HG LEU A 12 7.384 -4.401 -8.420 1.00 53.42 H new ATOM 0 HD11 LEU A 12 8.602 -5.246 -6.441 1.00 35.40 H new ATOM 0 HD12 LEU A 12 9.234 -5.934 -7.956 1.00 35.40 H new ATOM 0 HD13 LEU A 12 10.126 -4.635 -7.128 1.00 35.40 H new ATOM 0 HD21 LEU A 12 7.602 -3.002 -6.403 1.00 55.33 H new ATOM 0 HD22 LEU A 12 9.072 -2.264 -7.083 1.00 55.33 H new ATOM 0 HD23 LEU A 12 7.503 -2.026 -7.888 1.00 55.33 H new ATOM 193 N ALA A 13 11.272 -2.559 -11.605 1.00 72.15 N ATOM 194 CA ALA A 13 12.119 -2.708 -12.794 1.00 53.20 C ATOM 195 C ALA A 13 13.605 -2.700 -12.407 1.00 75.34 C ATOM 196 O ALA A 13 14.386 -3.540 -12.861 1.00 61.31 O ATOM 197 CB ALA A 13 11.820 -1.605 -13.801 1.00 64.10 C ATOM 0 H ALA A 13 10.646 -1.754 -11.629 1.00 72.15 H new ATOM 0 HA ALA A 13 11.894 -3.669 -13.258 1.00 53.20 H new ATOM 0 HB1 ALA A 13 12.456 -1.730 -14.677 1.00 64.10 H new ATOM 0 HB2 ALA A 13 10.774 -1.661 -14.102 1.00 64.10 H new ATOM 0 HB3 ALA A 13 12.015 -0.634 -13.346 1.00 64.10 H new ATOM 203 N GLN A 14 13.983 -1.756 -11.545 1.00 13.22 N ATOM 204 CA GLN A 14 15.348 -1.691 -11.012 1.00 32.33 C ATOM 205 C GLN A 14 15.684 -2.960 -10.209 1.00 44.14 C ATOM 206 O GLN A 14 16.777 -3.514 -10.334 1.00 3.24 O ATOM 207 CB GLN A 14 15.521 -0.452 -10.119 1.00 20.12 C ATOM 208 CG GLN A 14 15.238 0.876 -10.818 1.00 60.01 C ATOM 209 CD GLN A 14 15.423 2.068 -9.893 1.00 33.41 C ATOM 210 OE1 GLN A 14 15.233 1.970 -8.684 1.00 1.20 O ATOM 211 NE2 GLN A 14 15.801 3.200 -10.447 1.00 63.22 N ATOM 0 H GLN A 14 13.363 -1.023 -11.199 1.00 13.22 H new ATOM 0 HA GLN A 14 16.033 -1.619 -11.857 1.00 32.33 H new ATOM 0 HB2 GLN A 14 14.858 -0.544 -9.259 1.00 20.12 H new ATOM 0 HB3 GLN A 14 16.541 -0.436 -9.735 1.00 20.12 H new ATOM 0 HG2 GLN A 14 15.901 0.980 -11.677 1.00 60.01 H new ATOM 0 HG3 GLN A 14 14.218 0.872 -11.201 1.00 60.01 H new ATOM 0 HE21 GLN A 14 15.951 3.250 -11.455 1.00 63.22 H new ATOM 0 HE22 GLN A 14 15.944 4.028 -9.869 1.00 63.22 H new ATOM 220 N GLU A 15 14.734 -3.413 -9.386 1.00 12.44 N ATOM 221 CA GLU A 15 14.909 -4.642 -8.604 1.00 12.23 C ATOM 222 C GLU A 15 15.228 -5.834 -9.523 1.00 62.02 C ATOM 223 O GLU A 15 16.118 -6.635 -9.232 1.00 25.15 O ATOM 224 CB GLU A 15 13.652 -4.947 -7.768 1.00 71.10 C ATOM 225 CG GLU A 15 13.217 -3.819 -6.831 1.00 4.55 C ATOM 226 CD GLU A 15 14.319 -3.348 -5.893 1.00 73.25 C ATOM 227 OE1 GLU A 15 14.696 -4.108 -4.975 1.00 35.32 O ATOM 228 OE2 GLU A 15 14.807 -2.209 -6.062 1.00 53.40 O ATOM 0 H GLU A 15 13.837 -2.949 -9.244 1.00 12.44 H new ATOM 0 HA GLU A 15 15.749 -4.486 -7.927 1.00 12.23 H new ATOM 0 HB2 GLU A 15 12.829 -5.176 -8.445 1.00 71.10 H new ATOM 0 HB3 GLU A 15 13.836 -5.843 -7.175 1.00 71.10 H new ATOM 0 HG2 GLU A 15 12.874 -2.974 -7.428 1.00 4.55 H new ATOM 0 HG3 GLU A 15 12.367 -4.157 -6.239 1.00 4.55 H new ATOM 235 N HIS A 16 14.508 -5.940 -10.641 1.00 5.33 N ATOM 236 CA HIS A 16 14.783 -6.988 -11.629 1.00 54.52 C ATOM 237 C HIS A 16 16.235 -6.907 -12.129 1.00 1.02 C ATOM 238 O HIS A 16 16.928 -7.920 -12.205 1.00 34.13 O ATOM 239 CB HIS A 16 13.815 -6.897 -12.815 1.00 52.22 C ATOM 240 CG HIS A 16 12.404 -7.293 -12.489 1.00 21.12 C ATOM 241 ND1 HIS A 16 12.059 -8.550 -12.040 1.00 1.34 N ATOM 242 CD2 HIS A 16 11.245 -6.595 -12.559 1.00 1.30 C ATOM 243 CE1 HIS A 16 10.757 -8.607 -11.853 1.00 51.30 C ATOM 244 NE2 HIS A 16 10.239 -7.438 -12.159 1.00 64.43 N ATOM 0 H HIS A 16 13.736 -5.319 -10.885 1.00 5.33 H new ATOM 0 HA HIS A 16 14.637 -7.949 -11.135 1.00 54.52 H new ATOM 0 HB2 HIS A 16 13.816 -5.874 -13.192 1.00 52.22 H new ATOM 0 HB3 HIS A 16 14.183 -7.534 -13.619 1.00 52.22 H new ATOM 0 HD2 HIS A 16 11.134 -5.567 -12.871 1.00 1.30 H new ATOM 0 HE1 HIS A 16 10.207 -9.469 -11.506 1.00 51.30 H new ATOM 0 HE2 HIS A 16 9.249 -7.197 -12.107 1.00 64.43 H new ATOM 253 N LEU A 17 16.693 -5.696 -12.452 1.00 51.41 N ATOM 254 CA LEU A 17 18.083 -5.481 -12.883 1.00 21.05 C ATOM 255 C LEU A 17 19.077 -5.925 -11.797 1.00 61.53 C ATOM 256 O LEU A 17 20.133 -6.481 -12.100 1.00 71.21 O ATOM 257 CB LEU A 17 18.314 -4.003 -13.236 1.00 51.02 C ATOM 258 CG LEU A 17 17.524 -3.487 -14.449 1.00 54.13 C ATOM 259 CD1 LEU A 17 17.752 -1.991 -14.646 1.00 55.43 C ATOM 260 CD2 LEU A 17 17.907 -4.263 -15.709 1.00 41.04 C ATOM 0 H LEU A 17 16.126 -4.849 -12.425 1.00 51.41 H new ATOM 0 HA LEU A 17 18.254 -6.089 -13.771 1.00 21.05 H new ATOM 0 HB2 LEU A 17 18.056 -3.395 -12.369 1.00 51.02 H new ATOM 0 HB3 LEU A 17 19.377 -3.853 -13.425 1.00 51.02 H new ATOM 0 HG LEU A 17 16.463 -3.646 -14.258 1.00 54.13 H new ATOM 0 HD11 LEU A 17 17.183 -1.647 -15.510 1.00 55.43 H new ATOM 0 HD12 LEU A 17 17.423 -1.453 -13.757 1.00 55.43 H new ATOM 0 HD13 LEU A 17 18.813 -1.803 -14.812 1.00 55.43 H new ATOM 0 HD21 LEU A 17 17.337 -3.883 -16.557 1.00 41.04 H new ATOM 0 HD22 LEU A 17 18.972 -4.139 -15.903 1.00 41.04 H new ATOM 0 HD23 LEU A 17 17.685 -5.321 -15.567 1.00 41.04 H new ATOM 272 N LYS A 18 18.727 -5.684 -10.532 1.00 13.34 N ATOM 273 CA LYS A 18 19.538 -6.149 -9.396 1.00 20.35 C ATOM 274 C LYS A 18 19.671 -7.681 -9.401 1.00 11.33 C ATOM 275 O LYS A 18 20.705 -8.226 -9.017 1.00 74.34 O ATOM 276 CB LYS A 18 18.919 -5.690 -8.069 1.00 20.53 C ATOM 277 CG LYS A 18 18.865 -4.175 -7.904 1.00 14.33 C ATOM 278 CD LYS A 18 18.156 -3.770 -6.612 1.00 2.44 C ATOM 279 CE LYS A 18 18.124 -2.258 -6.432 1.00 70.23 C ATOM 280 NZ LYS A 18 17.402 -1.864 -5.194 1.00 21.52 N ATOM 0 H LYS A 18 17.888 -5.170 -10.264 1.00 13.34 H new ATOM 0 HA LYS A 18 20.532 -5.713 -9.498 1.00 20.35 H new ATOM 0 HB2 LYS A 18 17.908 -6.090 -7.993 1.00 20.53 H new ATOM 0 HB3 LYS A 18 19.493 -6.115 -7.245 1.00 20.53 H new ATOM 0 HG2 LYS A 18 19.878 -3.773 -7.904 1.00 14.33 H new ATOM 0 HG3 LYS A 18 18.347 -3.735 -8.756 1.00 14.33 H new ATOM 0 HD2 LYS A 18 17.137 -4.156 -6.621 1.00 2.44 H new ATOM 0 HD3 LYS A 18 18.663 -4.226 -5.761 1.00 2.44 H new ATOM 0 HE2 LYS A 18 19.144 -1.875 -6.395 1.00 70.23 H new ATOM 0 HE3 LYS A 18 17.642 -1.799 -7.295 1.00 70.23 H new ATOM 0 HZ1 LYS A 18 17.559 -0.853 -5.007 1.00 21.52 H new ATOM 0 HZ2 LYS A 18 16.384 -2.040 -5.315 1.00 21.52 H new ATOM 0 HZ3 LYS A 18 17.757 -2.423 -4.392 1.00 21.52 H new ATOM 294 N HIS A 19 18.609 -8.365 -9.834 1.00 71.22 N ATOM 295 CA HIS A 19 18.618 -9.831 -9.958 1.00 25.20 C ATOM 296 C HIS A 19 19.066 -10.271 -11.366 1.00 20.11 C ATOM 297 O HIS A 19 19.038 -11.459 -11.693 1.00 51.22 O ATOM 298 CB HIS A 19 17.225 -10.399 -9.648 1.00 11.32 C ATOM 299 CG HIS A 19 16.723 -10.056 -8.277 1.00 4.30 C ATOM 300 ND1 HIS A 19 17.205 -10.641 -7.128 1.00 42.21 N ATOM 301 CD2 HIS A 19 15.779 -9.172 -7.872 1.00 74.14 C ATOM 302 CE1 HIS A 19 16.586 -10.134 -6.083 1.00 13.34 C ATOM 303 NE2 HIS A 19 15.717 -9.240 -6.504 1.00 15.32 N ATOM 0 H HIS A 19 17.728 -7.929 -10.106 1.00 71.22 H new ATOM 0 HA HIS A 19 19.334 -10.224 -9.236 1.00 25.20 H new ATOM 0 HB2 HIS A 19 16.517 -10.025 -10.388 1.00 11.32 H new ATOM 0 HB3 HIS A 19 17.253 -11.483 -9.754 1.00 11.32 H new ATOM 0 HD2 HIS A 19 15.186 -8.533 -8.509 1.00 74.14 H new ATOM 0 HE1 HIS A 19 16.762 -10.406 -5.053 1.00 13.34 H new ATOM 0 HE2 HIS A 19 15.098 -8.688 -5.910 1.00 15.32 H new ATOM 312 N ASP A 20 19.473 -9.293 -12.182 1.00 35.11 N ATOM 313 CA ASP A 20 19.957 -9.518 -13.555 1.00 43.22 C ATOM 314 C ASP A 20 18.812 -9.863 -14.537 1.00 32.41 C ATOM 315 O ASP A 20 19.055 -10.187 -15.701 1.00 21.23 O ATOM 316 CB ASP A 20 21.058 -10.595 -13.580 1.00 14.23 C ATOM 317 CG ASP A 20 21.681 -10.769 -14.957 1.00 11.11 C ATOM 318 OD1 ASP A 20 22.195 -9.776 -15.517 1.00 61.11 O ATOM 319 OD2 ASP A 20 21.640 -11.896 -15.501 1.00 15.44 O ATOM 0 H ASP A 20 19.477 -8.311 -11.908 1.00 35.11 H new ATOM 0 HA ASP A 20 20.389 -8.578 -13.899 1.00 43.22 H new ATOM 0 HB2 ASP A 20 21.836 -10.329 -12.865 1.00 14.23 H new ATOM 0 HB3 ASP A 20 20.637 -11.546 -13.254 1.00 14.23 H new ATOM 324 N ASN A 21 17.562 -9.767 -14.081 1.00 25.33 N ATOM 325 CA ASN A 21 16.408 -9.978 -14.967 1.00 3.15 C ATOM 326 C ASN A 21 16.220 -8.782 -15.919 1.00 72.11 C ATOM 327 O ASN A 21 15.291 -7.980 -15.767 1.00 22.35 O ATOM 328 CB ASN A 21 15.128 -10.222 -14.157 1.00 53.34 C ATOM 329 CG ASN A 21 15.225 -11.458 -13.284 1.00 20.23 C ATOM 330 OD1 ASN A 21 15.604 -11.385 -12.122 1.00 41.14 O ATOM 331 ND2 ASN A 21 14.875 -12.602 -13.834 1.00 33.24 N ATOM 0 H ASN A 21 17.321 -9.547 -13.115 1.00 25.33 H new ATOM 0 HA ASN A 21 16.608 -10.867 -15.565 1.00 3.15 H new ATOM 0 HB2 ASN A 21 14.926 -9.353 -13.531 1.00 53.34 H new ATOM 0 HB3 ASN A 21 14.284 -10.327 -14.839 1.00 53.34 H new ATOM 0 HD21 ASN A 21 14.915 -13.463 -13.289 1.00 33.24 H new ATOM 0 HD22 ASN A 21 14.564 -12.627 -14.805 1.00 33.24 H new ATOM 338 N ALA A 22 17.123 -8.674 -16.895 1.00 1.41 N ATOM 339 CA ALA A 22 17.129 -7.561 -17.853 1.00 42.40 C ATOM 340 C ALA A 22 15.835 -7.480 -18.677 1.00 3.41 C ATOM 341 O ALA A 22 15.221 -6.420 -18.765 1.00 13.33 O ATOM 342 CB ALA A 22 18.336 -7.673 -18.777 1.00 0.24 C ATOM 0 H ALA A 22 17.870 -9.352 -17.046 1.00 1.41 H new ATOM 0 HA ALA A 22 17.193 -6.640 -17.273 1.00 42.40 H new ATOM 0 HB1 ALA A 22 18.331 -6.843 -19.484 1.00 0.24 H new ATOM 0 HB2 ALA A 22 19.251 -7.641 -18.186 1.00 0.24 H new ATOM 0 HB3 ALA A 22 18.290 -8.615 -19.323 1.00 0.24 H new ATOM 348 N SER A 23 15.425 -8.598 -19.277 1.00 2.04 N ATOM 349 CA SER A 23 14.219 -8.626 -20.124 1.00 31.31 C ATOM 350 C SER A 23 12.953 -8.269 -19.331 1.00 12.24 C ATOM 351 O SER A 23 12.096 -7.529 -19.813 1.00 41.12 O ATOM 352 CB SER A 23 14.047 -10.004 -20.781 1.00 61.32 C ATOM 353 OG SER A 23 15.157 -10.325 -21.608 1.00 24.54 O ATOM 0 H SER A 23 15.904 -9.495 -19.197 1.00 2.04 H new ATOM 0 HA SER A 23 14.357 -7.872 -20.899 1.00 31.31 H new ATOM 0 HB2 SER A 23 13.934 -10.765 -20.009 1.00 61.32 H new ATOM 0 HB3 SER A 23 13.133 -10.014 -21.375 1.00 61.32 H new ATOM 0 HG SER A 23 15.020 -11.208 -22.011 1.00 24.54 H new ATOM 359 N ARG A 24 12.838 -8.796 -18.115 1.00 11.03 N ATOM 360 CA ARG A 24 11.683 -8.500 -17.257 1.00 72.00 C ATOM 361 C ARG A 24 11.651 -7.018 -16.843 1.00 31.33 C ATOM 362 O ARG A 24 10.588 -6.397 -16.792 1.00 22.50 O ATOM 363 CB ARG A 24 11.693 -9.412 -16.022 1.00 14.20 C ATOM 364 CG ARG A 24 11.568 -10.896 -16.363 1.00 22.05 C ATOM 365 CD ARG A 24 10.289 -11.191 -17.144 1.00 12.25 C ATOM 366 NE ARG A 24 10.266 -12.551 -17.680 1.00 62.23 N ATOM 367 CZ ARG A 24 9.924 -12.852 -18.905 1.00 62.45 C ATOM 368 NH1 ARG A 24 9.555 -11.925 -19.733 1.00 2.52 N ATOM 369 NH2 ARG A 24 9.939 -14.083 -19.296 1.00 3.41 N ATOM 0 H ARG A 24 13.523 -9.427 -17.699 1.00 11.03 H new ATOM 0 HA ARG A 24 10.777 -8.696 -17.831 1.00 72.00 H new ATOM 0 HB2 ARG A 24 12.618 -9.251 -15.468 1.00 14.20 H new ATOM 0 HB3 ARG A 24 10.873 -9.128 -15.363 1.00 14.20 H new ATOM 0 HG2 ARG A 24 12.432 -11.209 -16.949 1.00 22.05 H new ATOM 0 HG3 ARG A 24 11.577 -11.482 -15.444 1.00 22.05 H new ATOM 0 HD2 ARG A 24 9.427 -11.045 -16.493 1.00 12.25 H new ATOM 0 HD3 ARG A 24 10.194 -10.478 -17.963 1.00 12.25 H new ATOM 0 HE ARG A 24 10.534 -13.314 -17.058 1.00 62.23 H new ATOM 0 HH11 ARG A 24 9.530 -10.951 -19.430 1.00 2.52 H new ATOM 0 HH12 ARG A 24 9.290 -12.169 -20.687 1.00 2.52 H new ATOM 0 HH21 ARG A 24 10.218 -14.820 -18.649 1.00 3.41 H new ATOM 0 HH22 ARG A 24 9.672 -14.318 -20.252 1.00 3.41 H new ATOM 383 N ALA A 25 12.821 -6.454 -16.555 1.00 14.44 N ATOM 384 CA ALA A 25 12.933 -5.020 -16.265 1.00 52.34 C ATOM 385 C ALA A 25 12.613 -4.183 -17.511 1.00 15.14 C ATOM 386 O ALA A 25 11.898 -3.182 -17.439 1.00 23.32 O ATOM 387 CB ALA A 25 14.330 -4.694 -15.754 1.00 23.03 C ATOM 0 H ALA A 25 13.704 -6.963 -16.515 1.00 14.44 H new ATOM 0 HA ALA A 25 12.207 -4.770 -15.491 1.00 52.34 H new ATOM 0 HB1 ALA A 25 14.400 -3.627 -15.542 1.00 23.03 H new ATOM 0 HB2 ALA A 25 14.525 -5.258 -14.842 1.00 23.03 H new ATOM 0 HB3 ALA A 25 15.066 -4.963 -16.511 1.00 23.03 H new ATOM 393 N LEU A 26 13.146 -4.618 -18.654 1.00 31.33 N ATOM 394 CA LEU A 26 12.915 -3.955 -19.941 1.00 35.13 C ATOM 395 C LEU A 26 11.416 -3.831 -20.232 1.00 3.12 C ATOM 396 O LEU A 26 10.929 -2.755 -20.578 1.00 40.35 O ATOM 397 CB LEU A 26 13.606 -4.747 -21.062 1.00 63.21 C ATOM 398 CG LEU A 26 13.514 -4.137 -22.471 1.00 71.25 C ATOM 399 CD1 LEU A 26 14.168 -2.761 -22.510 1.00 62.13 C ATOM 400 CD2 LEU A 26 14.156 -5.064 -23.499 1.00 4.21 C ATOM 0 H LEU A 26 13.749 -5.438 -18.715 1.00 31.33 H new ATOM 0 HA LEU A 26 13.336 -2.950 -19.894 1.00 35.13 H new ATOM 0 HB2 LEU A 26 14.659 -4.860 -20.804 1.00 63.21 H new ATOM 0 HB3 LEU A 26 13.176 -5.748 -21.092 1.00 63.21 H new ATOM 0 HG LEU A 26 12.460 -4.020 -22.722 1.00 71.25 H new ATOM 0 HD11 LEU A 26 14.091 -2.350 -23.516 1.00 62.13 H new ATOM 0 HD12 LEU A 26 13.663 -2.098 -21.807 1.00 62.13 H new ATOM 0 HD13 LEU A 26 15.219 -2.850 -22.234 1.00 62.13 H new ATOM 0 HD21 LEU A 26 14.081 -4.616 -24.490 1.00 4.21 H new ATOM 0 HD22 LEU A 26 15.206 -5.215 -23.247 1.00 4.21 H new ATOM 0 HD23 LEU A 26 13.640 -6.024 -23.495 1.00 4.21 H new ATOM 412 N ALA A 27 10.694 -4.938 -20.076 1.00 11.14 N ATOM 413 CA ALA A 27 9.241 -4.950 -20.265 1.00 74.31 C ATOM 414 C ALA A 27 8.546 -3.880 -19.405 1.00 73.14 C ATOM 415 O ALA A 27 7.656 -3.175 -19.879 1.00 3.12 O ATOM 416 CB ALA A 27 8.687 -6.333 -19.947 1.00 21.42 C ATOM 0 H ALA A 27 11.090 -5.842 -19.819 1.00 11.14 H new ATOM 0 HA ALA A 27 9.036 -4.712 -21.309 1.00 74.31 H new ATOM 0 HB1 ALA A 27 7.606 -6.334 -20.090 1.00 21.42 H new ATOM 0 HB2 ALA A 27 9.141 -7.068 -20.611 1.00 21.42 H new ATOM 0 HB3 ALA A 27 8.916 -6.588 -18.912 1.00 21.42 H new ATOM 422 N LEU A 28 8.967 -3.756 -18.143 1.00 64.12 N ATOM 423 CA LEU A 28 8.412 -2.737 -17.240 1.00 24.15 C ATOM 424 C LEU A 28 8.735 -1.309 -17.713 1.00 25.13 C ATOM 425 O LEU A 28 7.874 -0.433 -17.681 1.00 73.44 O ATOM 426 CB LEU A 28 8.926 -2.942 -15.808 1.00 52.45 C ATOM 427 CG LEU A 28 8.435 -4.220 -15.113 1.00 25.42 C ATOM 428 CD1 LEU A 28 8.951 -4.285 -13.680 1.00 63.12 C ATOM 429 CD2 LEU A 28 6.911 -4.300 -15.143 1.00 73.22 C ATOM 0 H LEU A 28 9.687 -4.344 -17.723 1.00 64.12 H new ATOM 0 HA LEU A 28 7.329 -2.856 -17.253 1.00 24.15 H new ATOM 0 HB2 LEU A 28 10.016 -2.955 -15.829 1.00 52.45 H new ATOM 0 HB3 LEU A 28 8.629 -2.083 -15.206 1.00 52.45 H new ATOM 0 HG LEU A 28 8.831 -5.078 -15.657 1.00 25.42 H new ATOM 0 HD11 LEU A 28 8.592 -5.198 -13.205 1.00 63.12 H new ATOM 0 HD12 LEU A 28 10.041 -4.283 -13.685 1.00 63.12 H new ATOM 0 HD13 LEU A 28 8.590 -3.420 -13.124 1.00 63.12 H new ATOM 0 HD21 LEU A 28 6.585 -5.213 -14.645 1.00 73.22 H new ATOM 0 HD22 LEU A 28 6.491 -3.436 -14.628 1.00 73.22 H new ATOM 0 HD23 LEU A 28 6.567 -4.308 -16.177 1.00 73.22 H new ATOM 441 N PHE A 29 9.975 -1.074 -18.147 1.00 21.12 N ATOM 442 CA PHE A 29 10.362 0.242 -18.675 1.00 1.14 C ATOM 443 C PHE A 29 9.558 0.590 -19.939 1.00 24.41 C ATOM 444 O PHE A 29 9.051 1.704 -20.076 1.00 51.02 O ATOM 445 CB PHE A 29 11.866 0.298 -18.978 1.00 25.43 C ATOM 446 CG PHE A 29 12.744 0.344 -17.751 1.00 14.02 C ATOM 447 CD1 PHE A 29 12.701 1.436 -16.896 1.00 51.45 C ATOM 448 CD2 PHE A 29 13.610 -0.698 -17.450 1.00 3.53 C ATOM 449 CE1 PHE A 29 13.502 1.488 -15.771 1.00 33.30 C ATOM 450 CE2 PHE A 29 14.413 -0.650 -16.327 1.00 74.33 C ATOM 451 CZ PHE A 29 14.358 0.444 -15.485 1.00 70.52 C ATOM 0 H PHE A 29 10.723 -1.767 -18.145 1.00 21.12 H new ATOM 0 HA PHE A 29 10.136 0.980 -17.905 1.00 1.14 H new ATOM 0 HB2 PHE A 29 12.138 -0.574 -19.573 1.00 25.43 H new ATOM 0 HB3 PHE A 29 12.069 1.177 -19.590 1.00 25.43 H new ATOM 0 HD1 PHE A 29 12.033 2.256 -17.113 1.00 51.45 H new ATOM 0 HD2 PHE A 29 13.657 -1.558 -18.102 1.00 3.53 H new ATOM 0 HE1 PHE A 29 13.458 2.345 -15.116 1.00 33.30 H new ATOM 0 HE2 PHE A 29 15.084 -1.468 -16.107 1.00 74.33 H new ATOM 0 HZ PHE A 29 14.983 0.482 -14.605 1.00 70.52 H new ATOM 461 N GLU A 30 9.442 -0.369 -20.857 1.00 10.14 N ATOM 462 CA GLU A 30 8.638 -0.185 -22.071 1.00 55.34 C ATOM 463 C GLU A 30 7.152 0.003 -21.719 1.00 74.10 C ATOM 464 O GLU A 30 6.427 0.738 -22.396 1.00 11.32 O ATOM 465 CB GLU A 30 8.817 -1.380 -23.022 1.00 74.14 C ATOM 466 CG GLU A 30 10.262 -1.604 -23.467 1.00 64.30 C ATOM 467 CD GLU A 30 10.398 -2.705 -24.511 1.00 3.44 C ATOM 468 OE1 GLU A 30 10.281 -3.896 -24.156 1.00 55.43 O ATOM 469 OE2 GLU A 30 10.613 -2.382 -25.697 1.00 60.42 O ATOM 0 H GLU A 30 9.893 -1.281 -20.786 1.00 10.14 H new ATOM 0 HA GLU A 30 8.986 0.716 -22.576 1.00 55.34 H new ATOM 0 HB2 GLU A 30 8.455 -2.282 -22.529 1.00 74.14 H new ATOM 0 HB3 GLU A 30 8.195 -1.227 -23.904 1.00 74.14 H new ATOM 0 HG2 GLU A 30 10.660 -0.674 -23.873 1.00 64.30 H new ATOM 0 HG3 GLU A 30 10.869 -1.858 -22.598 1.00 64.30 H new ATOM 476 N GLU A 31 6.712 -0.666 -20.654 1.00 20.52 N ATOM 477 CA GLU A 31 5.358 -0.486 -20.119 1.00 72.03 C ATOM 478 C GLU A 31 5.151 0.956 -19.628 1.00 32.02 C ATOM 479 O GLU A 31 4.154 1.600 -19.951 1.00 74.14 O ATOM 480 CB GLU A 31 5.122 -1.476 -18.968 1.00 55.51 C ATOM 481 CG GLU A 31 3.750 -1.362 -18.312 1.00 72.25 C ATOM 482 CD GLU A 31 3.574 -2.340 -17.158 1.00 3.33 C ATOM 483 OE1 GLU A 31 3.983 -2.010 -16.021 1.00 32.53 O ATOM 484 OE2 GLU A 31 3.021 -3.439 -17.379 1.00 14.20 O ATOM 0 H GLU A 31 7.276 -1.343 -20.140 1.00 20.52 H new ATOM 0 HA GLU A 31 4.640 -0.679 -20.916 1.00 72.03 H new ATOM 0 HB2 GLU A 31 5.248 -2.491 -19.346 1.00 55.51 H new ATOM 0 HB3 GLU A 31 5.889 -1.321 -18.209 1.00 55.51 H new ATOM 0 HG2 GLU A 31 3.608 -0.345 -17.947 1.00 72.25 H new ATOM 0 HG3 GLU A 31 2.977 -1.543 -19.059 1.00 72.25 H new ATOM 491 N LEU A 32 6.114 1.459 -18.859 1.00 14.41 N ATOM 492 CA LEU A 32 6.082 2.842 -18.367 1.00 44.34 C ATOM 493 C LEU A 32 5.925 3.855 -19.515 1.00 2.13 C ATOM 494 O LEU A 32 5.281 4.887 -19.357 1.00 54.52 O ATOM 495 CB LEU A 32 7.359 3.144 -17.573 1.00 72.52 C ATOM 496 CG LEU A 32 7.460 2.458 -16.202 1.00 35.42 C ATOM 497 CD1 LEU A 32 8.867 2.595 -15.625 1.00 64.43 C ATOM 498 CD2 LEU A 32 6.424 3.042 -15.243 1.00 64.15 C ATOM 0 H LEU A 32 6.932 0.929 -18.559 1.00 14.41 H new ATOM 0 HA LEU A 32 5.213 2.942 -17.716 1.00 44.34 H new ATOM 0 HB2 LEU A 32 8.219 2.847 -18.173 1.00 72.52 H new ATOM 0 HB3 LEU A 32 7.430 4.222 -17.427 1.00 72.52 H new ATOM 0 HG LEU A 32 7.255 1.396 -16.333 1.00 35.42 H new ATOM 0 HD11 LEU A 32 8.912 2.101 -14.654 1.00 64.43 H new ATOM 0 HD12 LEU A 32 9.585 2.131 -16.302 1.00 64.43 H new ATOM 0 HD13 LEU A 32 9.110 3.651 -15.506 1.00 64.43 H new ATOM 0 HD21 LEU A 32 6.505 2.548 -14.275 1.00 64.15 H new ATOM 0 HD22 LEU A 32 6.602 4.110 -15.121 1.00 64.15 H new ATOM 0 HD23 LEU A 32 5.424 2.885 -15.648 1.00 64.15 H new ATOM 510 N VAL A 33 6.521 3.554 -20.666 1.00 72.20 N ATOM 511 CA VAL A 33 6.418 4.430 -21.841 1.00 35.21 C ATOM 512 C VAL A 33 4.968 4.530 -22.357 1.00 12.53 C ATOM 513 O VAL A 33 4.513 5.605 -22.749 1.00 32.14 O ATOM 514 CB VAL A 33 7.340 3.945 -22.991 1.00 34.21 C ATOM 515 CG1 VAL A 33 7.220 4.853 -24.216 1.00 31.42 C ATOM 516 CG2 VAL A 33 8.791 3.861 -22.520 1.00 72.20 C ATOM 0 H VAL A 33 7.080 2.714 -20.815 1.00 72.20 H new ATOM 0 HA VAL A 33 6.741 5.419 -21.518 1.00 35.21 H new ATOM 0 HB VAL A 33 7.015 2.946 -23.283 1.00 34.21 H new ATOM 0 HG11 VAL A 33 7.877 4.488 -25.005 1.00 31.42 H new ATOM 0 HG12 VAL A 33 6.190 4.850 -24.572 1.00 31.42 H new ATOM 0 HG13 VAL A 33 7.507 5.869 -23.945 1.00 31.42 H new ATOM 0 HG21 VAL A 33 9.421 3.519 -23.341 1.00 72.20 H new ATOM 0 HG22 VAL A 33 9.125 4.846 -22.192 1.00 72.20 H new ATOM 0 HG23 VAL A 33 8.864 3.158 -21.690 1.00 72.20 H new ATOM 526 N GLU A 34 4.250 3.406 -22.365 1.00 71.00 N ATOM 527 CA GLU A 34 2.854 3.384 -22.834 1.00 40.25 C ATOM 528 C GLU A 34 1.864 3.849 -21.746 1.00 64.03 C ATOM 529 O GLU A 34 0.767 4.320 -22.060 1.00 70.41 O ATOM 530 CB GLU A 34 2.472 1.989 -23.362 1.00 1.11 C ATOM 531 CG GLU A 34 2.664 0.859 -22.358 1.00 23.24 C ATOM 532 CD GLU A 34 2.291 -0.503 -22.924 1.00 41.32 C ATOM 533 OE1 GLU A 34 3.109 -1.092 -23.663 1.00 60.52 O ATOM 534 OE2 GLU A 34 1.174 -0.988 -22.640 1.00 34.53 O ATOM 0 H GLU A 34 4.605 2.501 -22.055 1.00 71.00 H new ATOM 0 HA GLU A 34 2.784 4.096 -23.656 1.00 40.25 H new ATOM 0 HB2 GLU A 34 1.428 2.006 -23.675 1.00 1.11 H new ATOM 0 HB3 GLU A 34 3.068 1.775 -24.249 1.00 1.11 H new ATOM 0 HG2 GLU A 34 3.705 0.840 -22.034 1.00 23.24 H new ATOM 0 HG3 GLU A 34 2.058 1.058 -21.474 1.00 23.24 H new ATOM 541 N THR A 35 2.237 3.700 -20.473 1.00 2.03 N ATOM 542 CA THR A 35 1.390 4.165 -19.358 1.00 42.11 C ATOM 543 C THR A 35 1.647 5.646 -19.029 1.00 23.41 C ATOM 544 O THR A 35 0.739 6.478 -19.101 1.00 4.04 O ATOM 545 CB THR A 35 1.616 3.336 -18.068 1.00 64.21 C ATOM 546 OG1 THR A 35 2.957 3.516 -17.584 1.00 35.12 O ATOM 547 CG2 THR A 35 1.356 1.853 -18.315 1.00 22.13 C ATOM 0 H THR A 35 3.113 3.265 -20.184 1.00 2.03 H new ATOM 0 HA THR A 35 0.362 4.035 -19.695 1.00 42.11 H new ATOM 0 HB THR A 35 0.911 3.692 -17.317 1.00 64.21 H new ATOM 0 HG1 THR A 35 2.958 4.179 -16.862 1.00 35.12 H new ATOM 0 HG21 THR A 35 1.522 1.296 -17.393 1.00 22.13 H new ATOM 0 HG22 THR A 35 0.326 1.714 -18.642 1.00 22.13 H new ATOM 0 HG23 THR A 35 2.034 1.488 -19.086 1.00 22.13 H new ATOM 555 N ASP A 36 2.885 5.967 -18.656 1.00 32.42 N ATOM 556 CA ASP A 36 3.267 7.335 -18.277 1.00 44.44 C ATOM 557 C ASP A 36 4.396 7.879 -19.178 1.00 33.31 C ATOM 558 O ASP A 36 5.576 7.827 -18.817 1.00 4.23 O ATOM 559 CB ASP A 36 3.712 7.371 -16.808 1.00 33.42 C ATOM 560 CG ASP A 36 2.627 6.893 -15.862 1.00 23.14 C ATOM 561 OD1 ASP A 36 1.771 7.718 -15.473 1.00 74.31 O ATOM 562 OD2 ASP A 36 2.614 5.692 -15.515 1.00 44.11 O ATOM 0 H ASP A 36 3.650 5.294 -18.607 1.00 32.42 H new ATOM 0 HA ASP A 36 2.393 7.972 -18.409 1.00 44.44 H new ATOM 0 HB2 ASP A 36 4.598 6.748 -16.684 1.00 33.42 H new ATOM 0 HB3 ASP A 36 3.998 8.389 -16.543 1.00 33.42 H new ATOM 567 N PRO A 37 4.051 8.426 -20.363 1.00 3.33 N ATOM 568 CA PRO A 37 5.050 8.948 -21.318 1.00 43.11 C ATOM 569 C PRO A 37 5.760 10.220 -20.818 1.00 32.11 C ATOM 570 O PRO A 37 6.770 10.643 -21.386 1.00 50.54 O ATOM 571 CB PRO A 37 4.216 9.243 -22.574 1.00 34.53 C ATOM 572 CG PRO A 37 2.837 9.486 -22.062 1.00 12.23 C ATOM 573 CD PRO A 37 2.672 8.576 -20.873 1.00 24.04 C ATOM 0 HA PRO A 37 5.860 8.238 -21.482 1.00 43.11 H new ATOM 0 HB2 PRO A 37 4.599 10.112 -23.109 1.00 34.53 H new ATOM 0 HB3 PRO A 37 4.238 8.405 -23.270 1.00 34.53 H new ATOM 0 HG2 PRO A 37 2.705 10.530 -21.777 1.00 12.23 H new ATOM 0 HG3 PRO A 37 2.092 9.268 -22.827 1.00 12.23 H new ATOM 0 HD2 PRO A 37 2.011 9.011 -20.123 1.00 24.04 H new ATOM 0 HD3 PRO A 37 2.242 7.616 -21.158 1.00 24.04 H new ATOM 581 N ASP A 38 5.229 10.828 -19.759 1.00 10.31 N ATOM 582 CA ASP A 38 5.834 12.025 -19.168 1.00 51.10 C ATOM 583 C ASP A 38 6.804 11.661 -18.028 1.00 71.14 C ATOM 584 O ASP A 38 7.437 12.537 -17.428 1.00 53.32 O ATOM 585 CB ASP A 38 4.738 12.963 -18.654 1.00 32.51 C ATOM 586 CG ASP A 38 3.957 12.372 -17.491 1.00 25.23 C ATOM 587 OD1 ASP A 38 3.193 11.408 -17.708 1.00 41.32 O ATOM 588 OD2 ASP A 38 4.090 12.882 -16.358 1.00 4.35 O ATOM 0 H ASP A 38 4.380 10.513 -19.290 1.00 10.31 H new ATOM 0 HA ASP A 38 6.409 12.533 -19.943 1.00 51.10 H new ATOM 0 HB2 ASP A 38 5.189 13.905 -18.342 1.00 32.51 H new ATOM 0 HB3 ASP A 38 4.051 13.193 -19.468 1.00 32.51 H new ATOM 593 N TYR A 39 6.916 10.366 -17.727 1.00 53.02 N ATOM 594 CA TYR A 39 7.813 9.895 -16.668 1.00 64.32 C ATOM 595 C TYR A 39 9.260 9.785 -17.190 1.00 1.33 C ATOM 596 O TYR A 39 9.675 8.752 -17.721 1.00 31.14 O ATOM 597 CB TYR A 39 7.303 8.554 -16.101 1.00 3.12 C ATOM 598 CG TYR A 39 8.046 8.065 -14.868 1.00 44.53 C ATOM 599 CD1 TYR A 39 8.474 8.959 -13.894 1.00 34.45 C ATOM 600 CD2 TYR A 39 8.300 6.710 -14.668 1.00 3.12 C ATOM 601 CE1 TYR A 39 9.133 8.523 -12.763 1.00 72.04 C ATOM 602 CE2 TYR A 39 8.959 6.269 -13.537 1.00 43.34 C ATOM 603 CZ TYR A 39 9.377 7.180 -12.590 1.00 43.04 C ATOM 604 OH TYR A 39 10.034 6.745 -11.462 1.00 61.44 O ATOM 0 H TYR A 39 6.398 9.625 -18.200 1.00 53.02 H new ATOM 0 HA TYR A 39 7.818 10.621 -15.855 1.00 64.32 H new ATOM 0 HB2 TYR A 39 6.246 8.657 -15.855 1.00 3.12 H new ATOM 0 HB3 TYR A 39 7.377 7.794 -16.879 1.00 3.12 H new ATOM 0 HD1 TYR A 39 8.287 10.015 -14.025 1.00 34.45 H new ATOM 0 HD2 TYR A 39 7.977 5.993 -15.409 1.00 3.12 H new ATOM 0 HE1 TYR A 39 9.456 9.233 -12.016 1.00 72.04 H new ATOM 0 HE2 TYR A 39 9.146 5.215 -13.395 1.00 43.34 H new ATOM 0 HH TYR A 39 10.448 5.875 -11.640 1.00 61.44 H new ATOM 614 N VAL A 40 10.014 10.878 -17.037 1.00 52.34 N ATOM 615 CA VAL A 40 11.368 11.000 -17.602 1.00 33.55 C ATOM 616 C VAL A 40 12.330 9.922 -17.069 1.00 61.42 C ATOM 617 O VAL A 40 13.161 9.397 -17.817 1.00 2.11 O ATOM 618 CB VAL A 40 11.960 12.407 -17.317 1.00 21.32 C ATOM 619 CG1 VAL A 40 13.339 12.560 -17.957 1.00 43.42 C ATOM 620 CG2 VAL A 40 11.008 13.502 -17.802 1.00 41.41 C ATOM 0 H VAL A 40 9.707 11.702 -16.520 1.00 52.34 H new ATOM 0 HA VAL A 40 11.266 10.855 -18.678 1.00 33.55 H new ATOM 0 HB VAL A 40 12.078 12.513 -16.239 1.00 21.32 H new ATOM 0 HG11 VAL A 40 13.731 13.554 -17.742 1.00 43.42 H new ATOM 0 HG12 VAL A 40 14.015 11.808 -17.550 1.00 43.42 H new ATOM 0 HG13 VAL A 40 13.256 12.428 -19.036 1.00 43.42 H new ATOM 0 HG21 VAL A 40 11.442 14.480 -17.593 1.00 41.41 H new ATOM 0 HG22 VAL A 40 10.850 13.397 -18.875 1.00 41.41 H new ATOM 0 HG23 VAL A 40 10.053 13.410 -17.284 1.00 41.41 H new ATOM 630 N GLY A 41 12.207 9.593 -15.780 1.00 50.54 N ATOM 631 CA GLY A 41 13.052 8.562 -15.174 1.00 24.23 C ATOM 632 C GLY A 41 13.084 7.260 -15.976 1.00 35.53 C ATOM 633 O GLY A 41 14.107 6.561 -16.010 1.00 40.24 O ATOM 0 H GLY A 41 11.537 10.021 -15.142 1.00 50.54 H new ATOM 0 HA2 GLY A 41 14.068 8.945 -15.076 1.00 24.23 H new ATOM 0 HA3 GLY A 41 12.692 8.352 -14.167 1.00 24.23 H new ATOM 637 N THR A 42 11.962 6.941 -16.623 1.00 3.23 N ATOM 638 CA THR A 42 11.870 5.766 -17.497 1.00 20.33 C ATOM 639 C THR A 42 12.859 5.864 -18.660 1.00 11.34 C ATOM 640 O THR A 42 13.710 4.998 -18.832 1.00 64.40 O ATOM 641 CB THR A 42 10.447 5.600 -18.086 1.00 64.42 C ATOM 642 OG1 THR A 42 9.486 5.474 -17.031 1.00 23.44 O ATOM 643 CG2 THR A 42 10.365 4.380 -18.999 1.00 14.14 C ATOM 0 H THR A 42 11.099 7.482 -16.559 1.00 3.23 H new ATOM 0 HA THR A 42 12.109 4.903 -16.876 1.00 20.33 H new ATOM 0 HB THR A 42 10.226 6.489 -18.677 1.00 64.42 H new ATOM 0 HG1 THR A 42 9.440 6.314 -16.528 1.00 23.44 H new ATOM 0 HG21 THR A 42 9.354 4.290 -19.397 1.00 14.14 H new ATOM 0 HG22 THR A 42 11.070 4.494 -19.822 1.00 14.14 H new ATOM 0 HG23 THR A 42 10.612 3.483 -18.431 1.00 14.14 H new ATOM 651 N TYR A 43 12.750 6.943 -19.438 1.00 62.45 N ATOM 652 CA TYR A 43 13.562 7.125 -20.650 1.00 21.11 C ATOM 653 C TYR A 43 15.068 7.024 -20.364 1.00 5.12 C ATOM 654 O TYR A 43 15.810 6.396 -21.123 1.00 0.11 O ATOM 655 CB TYR A 43 13.247 8.480 -21.298 1.00 32.25 C ATOM 656 CG TYR A 43 11.826 8.590 -21.821 1.00 74.21 C ATOM 657 CD1 TYR A 43 10.783 8.985 -20.990 1.00 53.34 C ATOM 658 CD2 TYR A 43 11.528 8.290 -23.146 1.00 52.22 C ATOM 659 CE1 TYR A 43 9.490 9.082 -21.465 1.00 61.21 C ATOM 660 CE2 TYR A 43 10.238 8.386 -23.627 1.00 53.42 C ATOM 661 CZ TYR A 43 9.224 8.780 -22.784 1.00 1.50 C ATOM 662 OH TYR A 43 7.938 8.879 -23.263 1.00 51.51 O ATOM 0 H TYR A 43 12.104 7.710 -19.251 1.00 62.45 H new ATOM 0 HA TYR A 43 13.303 6.318 -21.335 1.00 21.11 H new ATOM 0 HB2 TYR A 43 13.418 9.271 -20.568 1.00 32.25 H new ATOM 0 HB3 TYR A 43 13.942 8.650 -22.121 1.00 32.25 H new ATOM 0 HD1 TYR A 43 10.988 9.220 -19.956 1.00 53.34 H new ATOM 0 HD2 TYR A 43 12.320 7.976 -23.810 1.00 52.22 H new ATOM 0 HE1 TYR A 43 8.692 9.393 -20.807 1.00 61.21 H new ATOM 0 HE2 TYR A 43 10.025 8.153 -24.660 1.00 53.42 H new ATOM 0 HH TYR A 43 7.419 9.476 -22.685 1.00 51.51 H new ATOM 672 N TYR A 44 15.513 7.642 -19.270 1.00 23.33 N ATOM 673 CA TYR A 44 16.934 7.623 -18.901 1.00 33.11 C ATOM 674 C TYR A 44 17.444 6.183 -18.715 1.00 61.33 C ATOM 675 O TYR A 44 18.345 5.736 -19.423 1.00 14.50 O ATOM 676 CB TYR A 44 17.173 8.440 -17.616 1.00 31.10 C ATOM 677 CG TYR A 44 18.644 8.664 -17.290 1.00 21.55 C ATOM 678 CD1 TYR A 44 19.411 7.665 -16.696 1.00 2.25 C ATOM 679 CD2 TYR A 44 19.267 9.873 -17.588 1.00 35.42 C ATOM 680 CE1 TYR A 44 20.747 7.866 -16.407 1.00 35.31 C ATOM 681 CE2 TYR A 44 20.603 10.079 -17.301 1.00 42.34 C ATOM 682 CZ TYR A 44 21.339 9.073 -16.712 1.00 73.02 C ATOM 683 OH TYR A 44 22.672 9.273 -16.425 1.00 50.01 O ATOM 0 H TYR A 44 14.916 8.160 -18.625 1.00 23.33 H new ATOM 0 HA TYR A 44 17.493 8.079 -19.718 1.00 33.11 H new ATOM 0 HB2 TYR A 44 16.682 9.408 -17.716 1.00 31.10 H new ATOM 0 HB3 TYR A 44 16.700 7.928 -16.778 1.00 31.10 H new ATOM 0 HD1 TYR A 44 18.953 6.716 -16.457 1.00 2.25 H new ATOM 0 HD2 TYR A 44 18.696 10.664 -18.052 1.00 35.42 H new ATOM 0 HE1 TYR A 44 21.325 7.080 -15.944 1.00 35.31 H new ATOM 0 HE2 TYR A 44 21.069 11.024 -17.537 1.00 42.34 H new ATOM 0 HH TYR A 44 22.935 10.175 -16.703 1.00 50.01 H new ATOM 693 N HIS A 45 16.848 5.455 -17.771 1.00 33.30 N ATOM 694 CA HIS A 45 17.307 4.097 -17.443 1.00 61.55 C ATOM 695 C HIS A 45 16.946 3.078 -18.538 1.00 53.14 C ATOM 696 O HIS A 45 17.656 2.089 -18.728 1.00 25.43 O ATOM 697 CB HIS A 45 16.749 3.657 -16.083 1.00 50.53 C ATOM 698 CG HIS A 45 17.350 4.405 -14.930 1.00 70.10 C ATOM 699 ND1 HIS A 45 18.367 3.894 -14.150 1.00 75.21 N ATOM 700 CD2 HIS A 45 17.081 5.634 -14.426 1.00 12.21 C ATOM 701 CE1 HIS A 45 18.693 4.768 -13.220 1.00 51.43 C ATOM 702 NE2 HIS A 45 17.930 5.829 -13.366 1.00 53.14 N ATOM 0 H HIS A 45 16.051 5.776 -17.221 1.00 33.30 H new ATOM 0 HA HIS A 45 18.395 4.127 -17.385 1.00 61.55 H new ATOM 0 HB2 HIS A 45 15.668 3.800 -16.077 1.00 50.53 H new ATOM 0 HB3 HIS A 45 16.930 2.590 -15.950 1.00 50.53 H new ATOM 0 HD2 HIS A 45 16.339 6.329 -14.790 1.00 12.21 H new ATOM 0 HE1 HIS A 45 19.456 4.636 -12.467 1.00 51.43 H new ATOM 0 HE2 HIS A 45 17.964 6.665 -12.783 1.00 53.14 H new ATOM 711 N LEU A 46 15.847 3.319 -19.252 1.00 42.43 N ATOM 712 CA LEU A 46 15.463 2.472 -20.391 1.00 61.03 C ATOM 713 C LEU A 46 16.538 2.529 -21.485 1.00 24.21 C ATOM 714 O LEU A 46 16.929 1.503 -22.044 1.00 52.42 O ATOM 715 CB LEU A 46 14.103 2.915 -20.956 1.00 22.01 C ATOM 716 CG LEU A 46 13.631 2.180 -22.225 1.00 70.33 C ATOM 717 CD1 LEU A 46 13.543 0.676 -21.993 1.00 33.01 C ATOM 718 CD2 LEU A 46 12.286 2.729 -22.696 1.00 52.44 C ATOM 0 H LEU A 46 15.206 4.090 -19.066 1.00 42.43 H new ATOM 0 HA LEU A 46 15.375 1.443 -20.042 1.00 61.03 H new ATOM 0 HB2 LEU A 46 13.348 2.782 -20.181 1.00 22.01 H new ATOM 0 HB3 LEU A 46 14.152 3.982 -21.174 1.00 22.01 H new ATOM 0 HG LEU A 46 14.371 2.356 -23.006 1.00 70.33 H new ATOM 0 HD11 LEU A 46 13.207 0.186 -22.907 1.00 33.01 H new ATOM 0 HD12 LEU A 46 14.525 0.293 -21.715 1.00 33.01 H new ATOM 0 HD13 LEU A 46 12.834 0.473 -21.191 1.00 33.01 H new ATOM 0 HD21 LEU A 46 11.970 2.197 -23.593 1.00 52.44 H new ATOM 0 HD22 LEU A 46 11.542 2.591 -21.911 1.00 52.44 H new ATOM 0 HD23 LEU A 46 12.385 3.791 -22.920 1.00 52.44 H new ATOM 730 N GLY A 47 17.022 3.737 -21.770 1.00 71.11 N ATOM 731 CA GLY A 47 18.120 3.900 -22.711 1.00 65.40 C ATOM 732 C GLY A 47 19.391 3.190 -22.254 1.00 12.20 C ATOM 733 O GLY A 47 20.044 2.500 -23.041 1.00 35.44 O ATOM 0 H GLY A 47 16.673 4.606 -21.366 1.00 71.11 H new ATOM 0 HA2 GLY A 47 17.821 3.512 -23.685 1.00 65.40 H new ATOM 0 HA3 GLY A 47 18.328 4.962 -22.842 1.00 65.40 H new ATOM 737 N LYS A 48 19.735 3.353 -20.973 1.00 31.32 N ATOM 738 CA LYS A 48 20.910 2.687 -20.392 1.00 70.32 C ATOM 739 C LYS A 48 20.811 1.162 -20.551 1.00 31.24 C ATOM 740 O LYS A 48 21.801 0.485 -20.847 1.00 31.52 O ATOM 741 CB LYS A 48 21.053 3.027 -18.897 1.00 71.10 C ATOM 742 CG LYS A 48 21.056 4.521 -18.567 1.00 62.40 C ATOM 743 CD LYS A 48 22.195 5.293 -19.235 1.00 20.12 C ATOM 744 CE LYS A 48 23.578 4.858 -18.752 1.00 13.00 C ATOM 745 NZ LYS A 48 24.007 3.564 -19.350 1.00 74.20 N ATOM 0 H LYS A 48 19.219 3.939 -20.317 1.00 31.32 H new ATOM 0 HA LYS A 48 21.787 3.050 -20.929 1.00 70.32 H new ATOM 0 HB2 LYS A 48 20.236 2.553 -18.353 1.00 71.10 H new ATOM 0 HB3 LYS A 48 21.980 2.588 -18.528 1.00 71.10 H new ATOM 0 HG2 LYS A 48 20.105 4.955 -18.875 1.00 62.40 H new ATOM 0 HG3 LYS A 48 21.128 4.646 -17.487 1.00 62.40 H new ATOM 0 HD2 LYS A 48 22.134 5.156 -20.315 1.00 20.12 H new ATOM 0 HD3 LYS A 48 22.067 6.358 -19.041 1.00 20.12 H new ATOM 0 HE2 LYS A 48 24.306 5.630 -19.002 1.00 13.00 H new ATOM 0 HE3 LYS A 48 23.569 4.768 -17.666 1.00 13.00 H new ATOM 0 HZ1 LYS A 48 25.046 3.525 -19.385 1.00 74.20 H new ATOM 0 HZ2 LYS A 48 23.651 2.778 -18.769 1.00 74.20 H new ATOM 0 HZ3 LYS A 48 23.625 3.483 -20.314 1.00 74.20 H new ATOM 759 N LEU A 49 19.608 0.628 -20.346 1.00 71.21 N ATOM 760 CA LEU A 49 19.361 -0.807 -20.501 1.00 74.15 C ATOM 761 C LEU A 49 19.520 -1.237 -21.968 1.00 21.33 C ATOM 762 O LEU A 49 20.111 -2.279 -22.257 1.00 32.34 O ATOM 763 CB LEU A 49 17.962 -1.164 -19.975 1.00 0.14 C ATOM 764 CG LEU A 49 17.594 -2.659 -20.014 1.00 52.20 C ATOM 765 CD1 LEU A 49 18.658 -3.510 -19.320 1.00 50.00 C ATOM 766 CD2 LEU A 49 16.229 -2.887 -19.372 1.00 24.51 C ATOM 0 H LEU A 49 18.787 1.168 -20.072 1.00 71.21 H new ATOM 0 HA LEU A 49 20.102 -1.350 -19.914 1.00 74.15 H new ATOM 0 HB2 LEU A 49 17.882 -0.816 -18.945 1.00 0.14 H new ATOM 0 HB3 LEU A 49 17.224 -0.612 -20.557 1.00 0.14 H new ATOM 0 HG LEU A 49 17.547 -2.966 -21.059 1.00 52.20 H new ATOM 0 HD11 LEU A 49 18.370 -4.560 -19.364 1.00 50.00 H new ATOM 0 HD12 LEU A 49 19.616 -3.375 -19.822 1.00 50.00 H new ATOM 0 HD13 LEU A 49 18.748 -3.202 -18.278 1.00 50.00 H new ATOM 0 HD21 LEU A 49 15.983 -3.948 -19.407 1.00 24.51 H new ATOM 0 HD22 LEU A 49 16.255 -2.555 -18.334 1.00 24.51 H new ATOM 0 HD23 LEU A 49 15.472 -2.321 -19.915 1.00 24.51 H new ATOM 778 N TYR A 50 19.005 -0.425 -22.894 1.00 3.12 N ATOM 779 CA TYR A 50 19.207 -0.677 -24.326 1.00 43.30 C ATOM 780 C TYR A 50 20.704 -0.716 -24.678 1.00 41.13 C ATOM 781 O TYR A 50 21.141 -1.565 -25.456 1.00 32.42 O ATOM 782 CB TYR A 50 18.492 0.379 -25.184 1.00 54.40 C ATOM 783 CG TYR A 50 16.993 0.163 -25.322 1.00 32.32 C ATOM 784 CD1 TYR A 50 16.478 -1.104 -25.577 1.00 55.43 C ATOM 785 CD2 TYR A 50 16.099 1.223 -25.215 1.00 52.23 C ATOM 786 CE1 TYR A 50 15.119 -1.309 -25.719 1.00 13.11 C ATOM 787 CE2 TYR A 50 14.737 1.024 -25.358 1.00 54.51 C ATOM 788 CZ TYR A 50 14.252 -0.244 -25.610 1.00 31.10 C ATOM 789 OH TYR A 50 12.895 -0.445 -25.755 1.00 13.13 O ATOM 0 H TYR A 50 18.450 0.405 -22.683 1.00 3.12 H new ATOM 0 HA TYR A 50 18.773 -1.652 -24.547 1.00 43.30 H new ATOM 0 HB2 TYR A 50 18.667 1.363 -24.749 1.00 54.40 H new ATOM 0 HB3 TYR A 50 18.939 0.386 -26.178 1.00 54.40 H new ATOM 0 HD1 TYR A 50 17.153 -1.943 -25.666 1.00 55.43 H new ATOM 0 HD2 TYR A 50 16.473 2.217 -25.017 1.00 52.23 H new ATOM 0 HE1 TYR A 50 14.738 -2.300 -25.915 1.00 13.11 H new ATOM 0 HE2 TYR A 50 14.056 1.858 -25.273 1.00 54.51 H new ATOM 0 HH TYR A 50 12.689 -1.394 -25.621 1.00 13.13 H new ATOM 799 N GLU A 51 21.486 0.198 -24.095 1.00 21.51 N ATOM 800 CA GLU A 51 22.946 0.190 -24.272 1.00 63.13 C ATOM 801 C GLU A 51 23.540 -1.156 -23.831 1.00 4.31 C ATOM 802 O GLU A 51 24.341 -1.762 -24.544 1.00 70.43 O ATOM 803 CB GLU A 51 23.610 1.321 -23.470 1.00 63.44 C ATOM 804 CG GLU A 51 23.172 2.726 -23.870 1.00 61.42 C ATOM 805 CD GLU A 51 24.043 3.802 -23.239 1.00 4.22 C ATOM 806 OE1 GLU A 51 23.744 4.246 -22.105 1.00 53.23 O ATOM 807 OE2 GLU A 51 25.051 4.192 -23.862 1.00 55.53 O ATOM 0 H GLU A 51 21.138 0.949 -23.500 1.00 21.51 H new ATOM 0 HA GLU A 51 23.145 0.344 -25.333 1.00 63.13 H new ATOM 0 HB2 GLU A 51 23.392 1.174 -22.412 1.00 63.44 H new ATOM 0 HB3 GLU A 51 24.691 1.245 -23.587 1.00 63.44 H new ATOM 0 HG2 GLU A 51 23.209 2.821 -24.955 1.00 61.42 H new ATOM 0 HG3 GLU A 51 22.135 2.880 -23.572 1.00 61.42 H new ATOM 814 N ARG A 52 23.133 -1.618 -22.647 1.00 71.00 N ATOM 815 CA ARG A 52 23.586 -2.910 -22.115 1.00 12.01 C ATOM 816 C ARG A 52 23.218 -4.064 -23.065 1.00 33.12 C ATOM 817 O ARG A 52 23.977 -5.022 -23.228 1.00 35.35 O ATOM 818 CB ARG A 52 22.971 -3.151 -20.726 1.00 21.32 C ATOM 819 CG ARG A 52 23.476 -4.417 -20.032 1.00 24.24 C ATOM 820 CD ARG A 52 22.843 -4.599 -18.653 1.00 4.21 C ATOM 821 NE ARG A 52 23.433 -5.719 -17.914 1.00 35.53 N ATOM 822 CZ ARG A 52 22.746 -6.592 -17.223 1.00 32.32 C ATOM 823 NH1 ARG A 52 21.455 -6.515 -17.160 1.00 43.30 N ATOM 824 NH2 ARG A 52 23.357 -7.530 -16.578 1.00 44.02 N ATOM 0 H ARG A 52 22.489 -1.117 -22.035 1.00 71.00 H new ATOM 0 HA ARG A 52 24.672 -2.879 -22.028 1.00 12.01 H new ATOM 0 HB2 ARG A 52 23.185 -2.291 -20.091 1.00 21.32 H new ATOM 0 HB3 ARG A 52 21.887 -3.212 -20.826 1.00 21.32 H new ATOM 0 HG2 ARG A 52 23.253 -5.285 -20.652 1.00 24.24 H new ATOM 0 HG3 ARG A 52 24.560 -4.368 -19.931 1.00 24.24 H new ATOM 0 HD2 ARG A 52 22.964 -3.682 -18.076 1.00 4.21 H new ATOM 0 HD3 ARG A 52 21.772 -4.765 -18.766 1.00 4.21 H new ATOM 0 HE ARG A 52 24.447 -5.825 -17.940 1.00 35.53 H new ATOM 0 HH11 ARG A 52 20.964 -5.769 -17.652 1.00 43.30 H new ATOM 0 HH12 ARG A 52 20.929 -7.201 -16.618 1.00 43.30 H new ATOM 0 HH21 ARG A 52 24.375 -7.590 -16.608 1.00 44.02 H new ATOM 0 HH22 ARG A 52 22.822 -8.211 -16.039 1.00 44.02 H new ATOM 838 N LEU A 53 22.056 -3.952 -23.698 1.00 63.35 N ATOM 839 CA LEU A 53 21.564 -4.980 -24.623 1.00 5.23 C ATOM 840 C LEU A 53 22.059 -4.747 -26.062 1.00 51.02 C ATOM 841 O LEU A 53 21.536 -5.341 -27.002 1.00 54.32 O ATOM 842 CB LEU A 53 20.030 -5.007 -24.598 1.00 51.53 C ATOM 843 CG LEU A 53 19.399 -5.257 -23.217 1.00 32.52 C ATOM 844 CD1 LEU A 53 17.875 -5.235 -23.310 1.00 75.32 C ATOM 845 CD2 LEU A 53 19.888 -6.581 -22.631 1.00 41.14 C ATOM 0 H LEU A 53 21.429 -3.155 -23.590 1.00 63.35 H new ATOM 0 HA LEU A 53 21.959 -5.940 -24.291 1.00 5.23 H new ATOM 0 HB2 LEU A 53 19.660 -4.056 -24.981 1.00 51.53 H new ATOM 0 HB3 LEU A 53 19.685 -5.782 -25.282 1.00 51.53 H new ATOM 0 HG LEU A 53 19.711 -4.455 -22.548 1.00 32.52 H new ATOM 0 HD11 LEU A 53 17.448 -5.414 -22.323 1.00 75.32 H new ATOM 0 HD12 LEU A 53 17.547 -4.262 -23.677 1.00 75.32 H new ATOM 0 HD13 LEU A 53 17.541 -6.013 -23.996 1.00 75.32 H new ATOM 0 HD21 LEU A 53 19.430 -6.738 -21.655 1.00 41.14 H new ATOM 0 HD22 LEU A 53 19.611 -7.398 -23.297 1.00 41.14 H new ATOM 0 HD23 LEU A 53 20.972 -6.553 -22.522 1.00 41.14 H new ATOM 857 N ASP A 54 23.060 -3.875 -26.222 1.00 72.11 N ATOM 858 CA ASP A 54 23.658 -3.583 -27.539 1.00 2.35 C ATOM 859 C ASP A 54 22.667 -2.858 -28.483 1.00 24.51 C ATOM 860 O ASP A 54 22.959 -2.614 -29.655 1.00 31.31 O ATOM 861 CB ASP A 54 24.187 -4.884 -28.172 1.00 5.31 C ATOM 862 CG ASP A 54 24.936 -4.653 -29.473 1.00 23.01 C ATOM 863 OD1 ASP A 54 26.017 -4.029 -29.438 1.00 24.24 O ATOM 864 OD2 ASP A 54 24.442 -5.081 -30.540 1.00 51.42 O ATOM 0 H ASP A 54 23.479 -3.353 -25.452 1.00 72.11 H new ATOM 0 HA ASP A 54 24.493 -2.899 -27.387 1.00 2.35 H new ATOM 0 HB2 ASP A 54 24.848 -5.383 -27.463 1.00 5.31 H new ATOM 0 HB3 ASP A 54 23.350 -5.558 -28.356 1.00 5.31 H new ATOM 869 N ARG A 55 21.509 -2.477 -27.955 1.00 52.44 N ATOM 870 CA ARG A 55 20.492 -1.762 -28.736 1.00 61.13 C ATOM 871 C ARG A 55 20.807 -0.255 -28.791 1.00 1.54 C ATOM 872 O ARG A 55 19.979 0.578 -28.421 1.00 52.21 O ATOM 873 CB ARG A 55 19.104 -1.991 -28.117 1.00 73.44 C ATOM 874 CG ARG A 55 18.680 -3.455 -28.047 1.00 33.34 C ATOM 875 CD ARG A 55 18.524 -4.078 -29.432 1.00 51.14 C ATOM 876 NE ARG A 55 17.554 -3.353 -30.258 1.00 32.54 N ATOM 877 CZ ARG A 55 16.770 -3.908 -31.145 1.00 34.21 C ATOM 878 NH1 ARG A 55 16.794 -5.185 -31.351 1.00 31.24 N ATOM 879 NH2 ARG A 55 15.947 -3.174 -31.824 1.00 64.44 N ATOM 0 H ARG A 55 21.245 -2.650 -26.985 1.00 52.44 H new ATOM 0 HA ARG A 55 20.499 -2.150 -29.755 1.00 61.13 H new ATOM 0 HB2 ARG A 55 19.095 -1.574 -27.110 1.00 73.44 H new ATOM 0 HB3 ARG A 55 18.365 -1.438 -28.697 1.00 73.44 H new ATOM 0 HG2 ARG A 55 19.420 -4.019 -27.478 1.00 33.34 H new ATOM 0 HG3 ARG A 55 17.736 -3.533 -27.507 1.00 33.34 H new ATOM 0 HD2 ARG A 55 19.491 -4.089 -29.935 1.00 51.14 H new ATOM 0 HD3 ARG A 55 18.207 -5.116 -29.328 1.00 51.14 H new ATOM 0 HE ARG A 55 17.486 -2.343 -30.132 1.00 32.54 H new ATOM 0 HH11 ARG A 55 17.432 -5.776 -30.817 1.00 31.24 H new ATOM 0 HH12 ARG A 55 16.175 -5.601 -32.047 1.00 31.24 H new ATOM 0 HH21 ARG A 55 15.912 -2.167 -31.666 1.00 64.44 H new ATOM 0 HH22 ARG A 55 15.334 -3.603 -32.517 1.00 64.44 H new ATOM 893 N THR A 56 22.006 0.081 -29.267 1.00 63.45 N ATOM 894 CA THR A 56 22.488 1.474 -29.286 1.00 43.25 C ATOM 895 C THR A 56 21.493 2.436 -29.960 1.00 71.10 C ATOM 896 O THR A 56 21.123 3.459 -29.384 1.00 52.31 O ATOM 897 CB THR A 56 23.859 1.583 -30.006 1.00 40.11 C ATOM 898 OG1 THR A 56 24.824 0.726 -29.368 1.00 2.32 O ATOM 899 CG2 THR A 56 24.377 3.019 -29.999 1.00 53.23 C ATOM 0 H THR A 56 22.670 -0.593 -29.648 1.00 63.45 H new ATOM 0 HA THR A 56 22.594 1.768 -28.242 1.00 43.25 H new ATOM 0 HB THR A 56 23.716 1.271 -31.040 1.00 40.11 H new ATOM 0 HG1 THR A 56 25.685 0.801 -29.831 1.00 2.32 H new ATOM 0 HG21 THR A 56 25.338 3.061 -30.511 1.00 53.23 H new ATOM 0 HG22 THR A 56 23.664 3.665 -30.511 1.00 53.23 H new ATOM 0 HG23 THR A 56 24.499 3.357 -28.970 1.00 53.23 H new ATOM 907 N ASP A 57 21.056 2.099 -31.172 1.00 24.02 N ATOM 908 CA ASP A 57 20.127 2.952 -31.925 1.00 62.43 C ATOM 909 C ASP A 57 18.786 3.138 -31.186 1.00 21.15 C ATOM 910 O ASP A 57 18.227 4.240 -31.161 1.00 65.21 O ATOM 911 CB ASP A 57 19.901 2.364 -33.319 1.00 62.45 C ATOM 912 CG ASP A 57 21.180 2.352 -34.138 1.00 63.24 C ATOM 913 OD1 ASP A 57 22.053 1.495 -33.876 1.00 43.11 O ATOM 914 OD2 ASP A 57 21.326 3.207 -35.040 1.00 74.54 O ATOM 0 H ASP A 57 21.327 1.243 -31.656 1.00 24.02 H new ATOM 0 HA ASP A 57 20.577 3.940 -32.019 1.00 62.43 H new ATOM 0 HB2 ASP A 57 19.518 1.348 -33.227 1.00 62.45 H new ATOM 0 HB3 ASP A 57 19.141 2.945 -33.840 1.00 62.45 H new ATOM 919 N ASP A 58 18.276 2.062 -30.587 1.00 14.20 N ATOM 920 CA ASP A 58 17.062 2.134 -29.765 1.00 73.20 C ATOM 921 C ASP A 58 17.277 3.048 -28.546 1.00 73.52 C ATOM 922 O ASP A 58 16.405 3.842 -28.187 1.00 23.21 O ATOM 923 CB ASP A 58 16.660 0.731 -29.300 1.00 60.43 C ATOM 924 CG ASP A 58 16.453 -0.222 -30.462 1.00 32.22 C ATOM 925 OD1 ASP A 58 17.456 -0.631 -31.083 1.00 3.51 O ATOM 926 OD2 ASP A 58 15.294 -0.580 -30.755 1.00 42.54 O ATOM 0 H ASP A 58 18.683 1.129 -30.654 1.00 14.20 H new ATOM 0 HA ASP A 58 16.262 2.555 -30.374 1.00 73.20 H new ATOM 0 HB2 ASP A 58 17.432 0.334 -28.640 1.00 60.43 H new ATOM 0 HB3 ASP A 58 15.742 0.793 -28.716 1.00 60.43 H new ATOM 931 N ALA A 59 18.448 2.929 -27.919 1.00 44.51 N ATOM 932 CA ALA A 59 18.817 3.783 -26.784 1.00 72.30 C ATOM 933 C ALA A 59 18.790 5.267 -27.172 1.00 32.43 C ATOM 934 O ALA A 59 18.119 6.076 -26.531 1.00 51.12 O ATOM 935 CB ALA A 59 20.198 3.397 -26.261 1.00 23.51 C ATOM 0 H ALA A 59 19.161 2.247 -28.178 1.00 44.51 H new ATOM 0 HA ALA A 59 18.082 3.630 -25.994 1.00 72.30 H new ATOM 0 HB1 ALA A 59 20.460 4.038 -25.419 1.00 23.51 H new ATOM 0 HB2 ALA A 59 20.186 2.357 -25.935 1.00 23.51 H new ATOM 0 HB3 ALA A 59 20.935 3.520 -27.054 1.00 23.51 H new ATOM 941 N ILE A 60 19.513 5.609 -28.239 1.00 30.44 N ATOM 942 CA ILE A 60 19.569 6.987 -28.744 1.00 14.43 C ATOM 943 C ILE A 60 18.160 7.548 -29.011 1.00 65.42 C ATOM 944 O ILE A 60 17.853 8.688 -28.651 1.00 22.13 O ATOM 945 CB ILE A 60 20.411 7.059 -30.045 1.00 74.22 C ATOM 946 CG1 ILE A 60 21.833 6.524 -29.792 1.00 34.54 C ATOM 947 CG2 ILE A 60 20.460 8.494 -30.581 1.00 22.24 C ATOM 948 CD1 ILE A 60 22.682 6.412 -31.044 1.00 3.31 C ATOM 0 H ILE A 60 20.073 4.947 -28.776 1.00 30.44 H new ATOM 0 HA ILE A 60 20.042 7.595 -27.973 1.00 14.43 H new ATOM 0 HB ILE A 60 19.935 6.433 -30.799 1.00 74.22 H new ATOM 0 HG12 ILE A 60 22.336 7.180 -29.082 1.00 34.54 H new ATOM 0 HG13 ILE A 60 21.763 5.542 -29.324 1.00 34.54 H new ATOM 0 HG21 ILE A 60 21.056 8.521 -31.494 1.00 22.24 H new ATOM 0 HG22 ILE A 60 19.448 8.836 -30.798 1.00 22.24 H new ATOM 0 HG23 ILE A 60 20.911 9.146 -29.833 1.00 22.24 H new ATOM 0 HD11 ILE A 60 23.668 6.028 -30.782 1.00 3.31 H new ATOM 0 HD12 ILE A 60 22.203 5.732 -31.749 1.00 3.31 H new ATOM 0 HD13 ILE A 60 22.786 7.395 -31.503 1.00 3.31 H new ATOM 960 N ASP A 61 17.306 6.732 -29.633 1.00 41.21 N ATOM 961 CA ASP A 61 15.910 7.112 -29.890 1.00 64.21 C ATOM 962 C ASP A 61 15.150 7.364 -28.574 1.00 41.24 C ATOM 963 O ASP A 61 14.394 8.334 -28.451 1.00 34.34 O ATOM 964 CB ASP A 61 15.209 6.019 -30.710 1.00 33.51 C ATOM 965 CG ASP A 61 13.752 6.351 -30.987 1.00 63.23 C ATOM 966 OD1 ASP A 61 13.492 7.331 -31.717 1.00 2.33 O ATOM 967 OD2 ASP A 61 12.864 5.645 -30.467 1.00 63.34 O ATOM 0 H ASP A 61 17.555 5.802 -29.970 1.00 41.21 H new ATOM 0 HA ASP A 61 15.910 8.041 -30.460 1.00 64.21 H new ATOM 0 HB2 ASP A 61 15.735 5.884 -31.655 1.00 33.51 H new ATOM 0 HB3 ASP A 61 15.268 5.072 -30.174 1.00 33.51 H new ATOM 972 N THR A 62 15.367 6.490 -27.593 1.00 62.50 N ATOM 973 CA THR A 62 14.751 6.635 -26.265 1.00 60.34 C ATOM 974 C THR A 62 15.207 7.933 -25.581 1.00 33.31 C ATOM 975 O THR A 62 14.405 8.637 -24.965 1.00 4.11 O ATOM 976 CB THR A 62 15.087 5.431 -25.347 1.00 21.02 C ATOM 977 OG1 THR A 62 14.615 4.213 -25.941 1.00 23.04 O ATOM 978 CG2 THR A 62 14.461 5.591 -23.966 1.00 74.23 C ATOM 0 H THR A 62 15.966 5.670 -27.688 1.00 62.50 H new ATOM 0 HA THR A 62 13.673 6.670 -26.420 1.00 60.34 H new ATOM 0 HB THR A 62 16.170 5.394 -25.234 1.00 21.02 H new ATOM 0 HG1 THR A 62 15.173 3.989 -26.715 1.00 23.04 H new ATOM 0 HG21 THR A 62 14.717 4.730 -23.349 1.00 74.23 H new ATOM 0 HG22 THR A 62 14.841 6.499 -23.497 1.00 74.23 H new ATOM 0 HG23 THR A 62 13.377 5.659 -24.063 1.00 74.23 H new ATOM 986 N TYR A 63 16.498 8.249 -25.701 1.00 41.15 N ATOM 987 CA TYR A 63 17.042 9.498 -25.153 1.00 44.20 C ATOM 988 C TYR A 63 16.462 10.720 -25.875 1.00 24.15 C ATOM 989 O TYR A 63 16.190 11.737 -25.249 1.00 41.32 O ATOM 990 CB TYR A 63 18.575 9.527 -25.251 1.00 21.22 C ATOM 991 CG TYR A 63 19.272 8.482 -24.401 1.00 71.14 C ATOM 992 CD1 TYR A 63 19.021 8.390 -23.037 1.00 21.31 C ATOM 993 CD2 TYR A 63 20.176 7.587 -24.963 1.00 60.41 C ATOM 994 CE1 TYR A 63 19.651 7.439 -22.260 1.00 5.02 C ATOM 995 CE2 TYR A 63 20.807 6.633 -24.192 1.00 15.23 C ATOM 996 CZ TYR A 63 20.542 6.563 -22.844 1.00 72.02 C ATOM 997 OH TYR A 63 21.166 5.614 -22.074 1.00 24.15 O ATOM 0 H TYR A 63 17.186 7.661 -26.171 1.00 41.15 H new ATOM 0 HA TYR A 63 16.754 9.538 -24.103 1.00 44.20 H new ATOM 0 HB2 TYR A 63 18.864 9.384 -26.292 1.00 21.22 H new ATOM 0 HB3 TYR A 63 18.928 10.515 -24.955 1.00 21.22 H new ATOM 0 HD1 TYR A 63 18.322 9.073 -22.578 1.00 21.31 H new ATOM 0 HD2 TYR A 63 20.388 7.640 -26.021 1.00 60.41 H new ATOM 0 HE1 TYR A 63 19.447 7.381 -21.201 1.00 5.02 H new ATOM 0 HE2 TYR A 63 21.505 5.945 -24.644 1.00 15.23 H new ATOM 0 HH TYR A 63 22.048 5.414 -22.452 1.00 24.15 H new ATOM 1007 N ALA A 64 16.284 10.616 -27.195 1.00 71.41 N ATOM 1008 CA ALA A 64 15.679 11.700 -27.982 1.00 12.41 C ATOM 1009 C ALA A 64 14.271 12.037 -27.468 1.00 14.03 C ATOM 1010 O ALA A 64 13.958 13.197 -27.191 1.00 33.32 O ATOM 1011 CB ALA A 64 15.638 11.324 -29.460 1.00 50.44 C ATOM 0 H ALA A 64 16.548 9.796 -27.742 1.00 71.41 H new ATOM 0 HA ALA A 64 16.298 12.590 -27.867 1.00 12.41 H new ATOM 0 HB1 ALA A 64 15.187 12.137 -30.030 1.00 50.44 H new ATOM 0 HB2 ALA A 64 16.652 11.148 -29.819 1.00 50.44 H new ATOM 0 HB3 ALA A 64 15.045 10.418 -29.589 1.00 50.44 H new ATOM 1017 N GLN A 65 13.431 11.008 -27.338 1.00 63.52 N ATOM 1018 CA GLN A 65 12.114 11.151 -26.705 1.00 51.22 C ATOM 1019 C GLN A 65 12.250 11.712 -25.283 1.00 61.12 C ATOM 1020 O GLN A 65 11.476 12.575 -24.865 1.00 4.51 O ATOM 1021 CB GLN A 65 11.395 9.791 -26.660 1.00 12.14 C ATOM 1022 CG GLN A 65 10.596 9.460 -27.917 1.00 50.13 C ATOM 1023 CD GLN A 65 9.362 10.339 -28.089 1.00 51.22 C ATOM 1024 OE1 GLN A 65 8.934 10.620 -29.202 1.00 32.33 O ATOM 1025 NE2 GLN A 65 8.758 10.756 -26.991 1.00 33.14 N ATOM 0 H GLN A 65 13.638 10.064 -27.663 1.00 63.52 H new ATOM 0 HA GLN A 65 11.526 11.849 -27.300 1.00 51.22 H new ATOM 0 HB2 GLN A 65 12.135 9.007 -26.497 1.00 12.14 H new ATOM 0 HB3 GLN A 65 10.723 9.777 -25.802 1.00 12.14 H new ATOM 0 HG2 GLN A 65 11.239 9.572 -28.790 1.00 50.13 H new ATOM 0 HG3 GLN A 65 10.288 8.415 -27.880 1.00 50.13 H new ATOM 0 HE21 GLN A 65 9.135 10.508 -26.076 1.00 33.14 H new ATOM 0 HE22 GLN A 65 7.915 11.326 -27.058 1.00 33.14 H new ATOM 1034 N GLY A 66 13.242 11.208 -24.551 1.00 30.33 N ATOM 1035 CA GLY A 66 13.523 11.703 -23.211 1.00 41.43 C ATOM 1036 C GLY A 66 13.800 13.201 -23.181 1.00 31.43 C ATOM 1037 O GLY A 66 13.264 13.916 -22.343 1.00 13.24 O ATOM 0 H GLY A 66 13.861 10.460 -24.865 1.00 30.33 H new ATOM 0 HA2 GLY A 66 12.676 11.482 -22.562 1.00 41.43 H new ATOM 0 HA3 GLY A 66 14.383 11.171 -22.805 1.00 41.43 H new ATOM 1041 N ILE A 67 14.633 13.671 -24.105 1.00 70.21 N ATOM 1042 CA ILE A 67 14.971 15.095 -24.213 1.00 72.30 C ATOM 1043 C ILE A 67 13.710 15.960 -24.356 1.00 32.02 C ATOM 1044 O ILE A 67 13.538 16.960 -23.652 1.00 3.13 O ATOM 1045 CB ILE A 67 15.911 15.338 -25.426 1.00 23.31 C ATOM 1046 CG1 ILE A 67 17.278 14.679 -25.178 1.00 14.15 C ATOM 1047 CG2 ILE A 67 16.073 16.832 -25.718 1.00 13.31 C ATOM 1048 CD1 ILE A 67 18.222 14.757 -26.361 1.00 63.30 C ATOM 0 H ILE A 67 15.093 13.082 -24.799 1.00 70.21 H new ATOM 0 HA ILE A 67 15.483 15.383 -23.295 1.00 72.30 H new ATOM 0 HB ILE A 67 15.455 14.881 -26.304 1.00 23.31 H new ATOM 0 HG12 ILE A 67 17.749 15.155 -24.318 1.00 14.15 H new ATOM 0 HG13 ILE A 67 17.123 13.632 -24.918 1.00 14.15 H new ATOM 0 HG21 ILE A 67 16.737 16.966 -26.572 1.00 13.31 H new ATOM 0 HG22 ILE A 67 15.099 17.266 -25.944 1.00 13.31 H new ATOM 0 HG23 ILE A 67 16.499 17.329 -24.846 1.00 13.31 H new ATOM 0 HD11 ILE A 67 19.164 14.270 -26.108 1.00 63.30 H new ATOM 0 HD12 ILE A 67 17.773 14.255 -27.218 1.00 63.30 H new ATOM 0 HD13 ILE A 67 18.409 15.802 -26.609 1.00 63.30 H new ATOM 1060 N GLU A 68 12.823 15.549 -25.257 1.00 72.11 N ATOM 1061 CA GLU A 68 11.590 16.291 -25.523 1.00 34.31 C ATOM 1062 C GLU A 68 10.665 16.311 -24.295 1.00 22.24 C ATOM 1063 O GLU A 68 10.218 17.374 -23.863 1.00 70.43 O ATOM 1064 CB GLU A 68 10.866 15.693 -26.738 1.00 11.15 C ATOM 1065 CG GLU A 68 11.745 15.622 -27.984 1.00 23.20 C ATOM 1066 CD GLU A 68 10.963 15.324 -29.255 1.00 11.52 C ATOM 1067 OE1 GLU A 68 10.377 16.271 -29.829 1.00 21.32 O ATOM 1068 OE2 GLU A 68 10.933 14.155 -29.692 1.00 10.05 O ATOM 0 H GLU A 68 12.933 14.704 -25.818 1.00 72.11 H new ATOM 0 HA GLU A 68 11.860 17.324 -25.744 1.00 34.31 H new ATOM 0 HB2 GLU A 68 10.518 14.691 -26.489 1.00 11.15 H new ATOM 0 HB3 GLU A 68 9.982 16.292 -26.958 1.00 11.15 H new ATOM 0 HG2 GLU A 68 12.272 16.569 -28.103 1.00 23.20 H new ATOM 0 HG3 GLU A 68 12.503 14.851 -27.842 1.00 23.20 H new ATOM 1075 N VAL A 69 10.398 15.140 -23.713 1.00 2.14 N ATOM 1076 CA VAL A 69 9.531 15.058 -22.528 1.00 5.35 C ATOM 1077 C VAL A 69 10.205 15.677 -21.289 1.00 61.23 C ATOM 1078 O VAL A 69 9.529 16.147 -20.375 1.00 64.14 O ATOM 1079 CB VAL A 69 9.109 13.597 -22.212 1.00 15.23 C ATOM 1080 CG1 VAL A 69 8.389 12.973 -23.406 1.00 22.42 C ATOM 1081 CG2 VAL A 69 10.312 12.752 -21.799 1.00 60.43 C ATOM 0 H VAL A 69 10.763 14.244 -24.035 1.00 2.14 H new ATOM 0 HA VAL A 69 8.635 15.631 -22.768 1.00 5.35 H new ATOM 0 HB VAL A 69 8.417 13.622 -21.371 1.00 15.23 H new ATOM 0 HG11 VAL A 69 8.102 11.950 -23.164 1.00 22.42 H new ATOM 0 HG12 VAL A 69 7.497 13.555 -23.638 1.00 22.42 H new ATOM 0 HG13 VAL A 69 9.054 12.968 -24.270 1.00 22.42 H new ATOM 0 HG21 VAL A 69 9.985 11.735 -21.584 1.00 60.43 H new ATOM 0 HG22 VAL A 69 11.041 12.736 -22.610 1.00 60.43 H new ATOM 0 HG23 VAL A 69 10.770 13.182 -20.908 1.00 60.43 H new ATOM 1091 N ALA A 70 11.539 15.686 -21.269 1.00 23.41 N ATOM 1092 CA ALA A 70 12.295 16.267 -20.151 1.00 55.32 C ATOM 1093 C ALA A 70 12.099 17.785 -20.065 1.00 64.42 C ATOM 1094 O ALA A 70 11.749 18.314 -19.013 1.00 22.02 O ATOM 1095 CB ALA A 70 13.779 15.937 -20.273 1.00 5.13 C ATOM 0 H ALA A 70 12.120 15.299 -22.012 1.00 23.41 H new ATOM 0 HA ALA A 70 11.908 15.824 -19.233 1.00 55.32 H new ATOM 0 HB1 ALA A 70 14.320 16.377 -19.435 1.00 5.13 H new ATOM 0 HB2 ALA A 70 13.913 14.855 -20.264 1.00 5.13 H new ATOM 0 HB3 ALA A 70 14.166 16.343 -21.208 1.00 5.13 H new ATOM 1101 N ARG A 71 12.322 18.484 -21.176 1.00 15.21 N ATOM 1102 CA ARG A 71 12.155 19.944 -21.208 1.00 24.50 C ATOM 1103 C ARG A 71 10.681 20.360 -21.027 1.00 2.33 C ATOM 1104 O ARG A 71 10.383 21.312 -20.303 1.00 10.23 O ATOM 1105 CB ARG A 71 12.699 20.531 -22.524 1.00 51.12 C ATOM 1106 CG ARG A 71 12.055 19.936 -23.774 1.00 22.41 C ATOM 1107 CD ARG A 71 12.209 20.838 -24.993 1.00 31.44 C ATOM 1108 NE ARG A 71 13.604 21.053 -25.373 1.00 11.22 N ATOM 1109 CZ ARG A 71 13.972 21.531 -26.532 1.00 44.22 C ATOM 1110 NH1 ARG A 71 13.087 21.894 -27.405 1.00 2.20 N ATOM 1111 NH2 ARG A 71 15.228 21.679 -26.808 1.00 41.22 N ATOM 0 H ARG A 71 12.616 18.072 -22.061 1.00 15.21 H new ATOM 0 HA ARG A 71 12.727 20.345 -20.371 1.00 24.50 H new ATOM 0 HB2 ARG A 71 12.541 21.610 -22.523 1.00 51.12 H new ATOM 0 HB3 ARG A 71 13.776 20.366 -22.567 1.00 51.12 H new ATOM 0 HG2 ARG A 71 12.505 18.966 -23.984 1.00 22.41 H new ATOM 0 HG3 ARG A 71 10.996 19.762 -23.586 1.00 22.41 H new ATOM 0 HD2 ARG A 71 11.673 20.398 -25.834 1.00 31.44 H new ATOM 0 HD3 ARG A 71 11.742 21.801 -24.787 1.00 31.44 H new ATOM 0 HE ARG A 71 14.330 20.817 -24.696 1.00 11.22 H new ATOM 0 HH11 ARG A 71 12.094 21.808 -27.190 1.00 2.20 H new ATOM 0 HH12 ARG A 71 13.383 22.266 -28.307 1.00 2.20 H new ATOM 0 HH21 ARG A 71 15.935 21.422 -26.119 1.00 41.22 H new ATOM 0 HH22 ARG A 71 15.510 22.053 -27.714 1.00 41.22 H new ATOM 1125 N GLU A 72 9.764 19.642 -21.679 1.00 71.42 N ATOM 1126 CA GLU A 72 8.341 20.003 -21.657 1.00 24.44 C ATOM 1127 C GLU A 72 7.654 19.594 -20.338 1.00 63.41 C ATOM 1128 O GLU A 72 6.996 20.408 -19.688 1.00 33.02 O ATOM 1129 CB GLU A 72 7.609 19.350 -22.842 1.00 64.45 C ATOM 1130 CG GLU A 72 8.195 19.685 -24.216 1.00 22.30 C ATOM 1131 CD GLU A 72 8.156 21.171 -24.541 1.00 44.31 C ATOM 1132 OE1 GLU A 72 7.105 21.652 -25.021 1.00 11.20 O ATOM 1133 OE2 GLU A 72 9.174 21.861 -24.325 1.00 4.44 O ATOM 0 H GLU A 72 9.978 18.809 -22.228 1.00 71.42 H new ATOM 0 HA GLU A 72 8.285 21.089 -21.738 1.00 24.44 H new ATOM 0 HB2 GLU A 72 7.623 18.268 -22.709 1.00 64.45 H new ATOM 0 HB3 GLU A 72 6.564 19.660 -22.822 1.00 64.45 H new ATOM 0 HG2 GLU A 72 9.228 19.338 -24.257 1.00 22.30 H new ATOM 0 HG3 GLU A 72 7.644 19.138 -24.981 1.00 22.30 H new ATOM 1140 N GLU A 73 7.811 18.331 -19.946 1.00 11.04 N ATOM 1141 CA GLU A 73 7.109 17.780 -18.773 1.00 2.20 C ATOM 1142 C GLU A 73 7.990 17.758 -17.509 1.00 21.04 C ATOM 1143 O GLU A 73 7.511 18.019 -16.402 1.00 33.43 O ATOM 1144 CB GLU A 73 6.621 16.358 -19.089 1.00 73.04 C ATOM 1145 CG GLU A 73 5.597 16.290 -20.222 1.00 21.12 C ATOM 1146 CD GLU A 73 4.256 16.895 -19.833 1.00 34.04 C ATOM 1147 OE1 GLU A 73 3.417 16.172 -19.257 1.00 44.51 O ATOM 1148 OE2 GLU A 73 4.036 18.098 -20.084 1.00 62.31 O ATOM 0 H GLU A 73 8.418 17.663 -20.421 1.00 11.04 H new ATOM 0 HA GLU A 73 6.264 18.435 -18.563 1.00 2.20 H new ATOM 0 HB2 GLU A 73 7.480 15.740 -19.351 1.00 73.04 H new ATOM 0 HB3 GLU A 73 6.181 15.927 -18.189 1.00 73.04 H new ATOM 0 HG2 GLU A 73 5.989 16.814 -21.094 1.00 21.12 H new ATOM 0 HG3 GLU A 73 5.452 15.250 -20.514 1.00 21.12 H new ATOM 1155 N GLY A 74 9.270 17.431 -17.671 1.00 33.24 N ATOM 1156 CA GLY A 74 10.169 17.311 -16.522 1.00 14.20 C ATOM 1157 C GLY A 74 10.897 18.610 -16.180 1.00 34.42 C ATOM 1158 O GLY A 74 10.268 19.634 -15.897 1.00 11.32 O ATOM 0 H GLY A 74 9.706 17.246 -18.575 1.00 33.24 H new ATOM 0 HA2 GLY A 74 9.595 16.986 -15.654 1.00 14.20 H new ATOM 0 HA3 GLY A 74 10.906 16.534 -16.726 1.00 14.20 H new ATOM 1162 N THR A 75 12.230 18.564 -16.213 1.00 20.23 N ATOM 1163 CA THR A 75 13.069 19.725 -15.871 1.00 33.51 C ATOM 1164 C THR A 75 14.356 19.772 -16.710 1.00 34.44 C ATOM 1165 O THR A 75 14.732 18.791 -17.362 1.00 72.44 O ATOM 1166 CB THR A 75 13.463 19.725 -14.371 1.00 61.40 C ATOM 1167 OG1 THR A 75 14.425 20.760 -14.110 1.00 51.32 O ATOM 1168 CG2 THR A 75 14.041 18.377 -13.952 1.00 43.21 C ATOM 0 H THR A 75 12.759 17.732 -16.474 1.00 20.23 H new ATOM 0 HA THR A 75 12.464 20.604 -16.090 1.00 33.51 H new ATOM 0 HB THR A 75 12.560 19.911 -13.790 1.00 61.40 H new ATOM 0 HG1 THR A 75 14.665 20.752 -13.160 1.00 51.32 H new ATOM 0 HG21 THR A 75 14.308 18.408 -12.896 1.00 43.21 H new ATOM 0 HG22 THR A 75 13.299 17.596 -14.116 1.00 43.21 H new ATOM 0 HG23 THR A 75 14.930 18.162 -14.545 1.00 43.21 H new ATOM 1176 N GLN A 76 15.035 20.919 -16.670 1.00 53.43 N ATOM 1177 CA GLN A 76 16.293 21.120 -17.401 1.00 44.21 C ATOM 1178 C GLN A 76 17.380 20.140 -16.924 1.00 33.51 C ATOM 1179 O GLN A 76 18.233 19.717 -17.707 1.00 61.50 O ATOM 1180 CB GLN A 76 16.752 22.585 -17.236 1.00 62.11 C ATOM 1181 CG GLN A 76 18.046 22.961 -17.968 1.00 5.44 C ATOM 1182 CD GLN A 76 19.305 22.562 -17.214 1.00 12.53 C ATOM 1183 OE1 GLN A 76 19.325 22.515 -15.988 1.00 22.52 O ATOM 1184 NE2 GLN A 76 20.363 22.275 -17.939 1.00 52.24 N ATOM 0 H GLN A 76 14.733 21.733 -16.134 1.00 53.43 H new ATOM 0 HA GLN A 76 16.123 20.917 -18.458 1.00 44.21 H new ATOM 0 HB2 GLN A 76 15.954 23.239 -17.588 1.00 62.11 H new ATOM 0 HB3 GLN A 76 16.885 22.788 -16.173 1.00 62.11 H new ATOM 0 HG2 GLN A 76 18.052 22.484 -18.948 1.00 5.44 H new ATOM 0 HG3 GLN A 76 18.059 24.038 -18.138 1.00 5.44 H new ATOM 0 HE21 GLN A 76 20.313 22.324 -18.957 1.00 52.24 H new ATOM 0 HE22 GLN A 76 21.235 22.003 -17.484 1.00 52.24 H new ATOM 1193 N LYS A 77 17.332 19.768 -15.645 1.00 12.52 N ATOM 1194 CA LYS A 77 18.313 18.837 -15.068 1.00 1.14 C ATOM 1195 C LYS A 77 18.377 17.510 -15.847 1.00 22.20 C ATOM 1196 O LYS A 77 19.452 17.082 -16.279 1.00 41.22 O ATOM 1197 CB LYS A 77 17.955 18.552 -13.602 1.00 2.45 C ATOM 1198 CG LYS A 77 18.686 17.347 -13.013 1.00 20.21 C ATOM 1199 CD LYS A 77 18.162 16.984 -11.629 1.00 21.20 C ATOM 1200 CE LYS A 77 18.660 15.614 -11.194 1.00 14.35 C ATOM 1201 NZ LYS A 77 18.172 14.533 -12.095 1.00 23.11 N ATOM 0 H LYS A 77 16.626 20.095 -14.985 1.00 12.52 H new ATOM 0 HA LYS A 77 19.293 19.310 -15.132 1.00 1.14 H new ATOM 0 HB2 LYS A 77 18.185 19.433 -13.003 1.00 2.45 H new ATOM 0 HB3 LYS A 77 16.880 18.387 -13.525 1.00 2.45 H new ATOM 0 HG2 LYS A 77 18.572 16.492 -13.680 1.00 20.21 H new ATOM 0 HG3 LYS A 77 19.752 17.564 -12.952 1.00 20.21 H new ATOM 0 HD2 LYS A 77 18.482 17.736 -10.908 1.00 21.20 H new ATOM 0 HD3 LYS A 77 17.072 16.992 -11.636 1.00 21.20 H new ATOM 0 HE2 LYS A 77 19.750 15.611 -11.181 1.00 14.35 H new ATOM 0 HE3 LYS A 77 18.329 15.414 -10.175 1.00 14.35 H new ATOM 0 HZ1 LYS A 77 18.024 13.663 -11.545 1.00 23.11 H new ATOM 0 HZ2 LYS A 77 17.274 14.824 -12.531 1.00 23.11 H new ATOM 0 HZ3 LYS A 77 18.877 14.356 -12.839 1.00 23.11 H new ATOM 1215 N ASP A 78 17.224 16.877 -16.040 1.00 31.15 N ATOM 1216 CA ASP A 78 17.153 15.621 -16.789 1.00 61.43 C ATOM 1217 C ASP A 78 17.392 15.858 -18.284 1.00 70.04 C ATOM 1218 O ASP A 78 17.982 15.024 -18.968 1.00 72.10 O ATOM 1219 CB ASP A 78 15.800 14.948 -16.556 1.00 33.25 C ATOM 1220 CG ASP A 78 15.625 14.517 -15.110 1.00 52.40 C ATOM 1221 OD1 ASP A 78 15.465 15.396 -14.238 1.00 50.20 O ATOM 1222 OD2 ASP A 78 15.672 13.299 -14.834 1.00 52.13 O ATOM 0 H ASP A 78 16.326 17.210 -15.690 1.00 31.15 H new ATOM 0 HA ASP A 78 17.940 14.959 -16.428 1.00 61.43 H new ATOM 0 HB2 ASP A 78 15.000 15.636 -16.829 1.00 33.25 H new ATOM 0 HB3 ASP A 78 15.709 14.079 -17.208 1.00 33.25 H new ATOM 1227 N LEU A 79 16.941 17.010 -18.775 1.00 74.03 N ATOM 1228 CA LEU A 79 17.204 17.426 -20.156 1.00 45.34 C ATOM 1229 C LEU A 79 18.710 17.362 -20.468 1.00 20.00 C ATOM 1230 O LEU A 79 19.130 16.735 -21.441 1.00 62.11 O ATOM 1231 CB LEU A 79 16.679 18.854 -20.369 1.00 45.54 C ATOM 1232 CG LEU A 79 16.964 19.478 -21.745 1.00 71.23 C ATOM 1233 CD1 LEU A 79 16.197 18.750 -22.843 1.00 75.53 C ATOM 1234 CD2 LEU A 79 16.624 20.967 -21.738 1.00 74.42 C ATOM 0 H LEU A 79 16.389 17.677 -18.236 1.00 74.03 H new ATOM 0 HA LEU A 79 16.689 16.745 -20.833 1.00 45.34 H new ATOM 0 HB2 LEU A 79 15.601 18.851 -20.210 1.00 45.54 H new ATOM 0 HB3 LEU A 79 17.113 19.497 -19.603 1.00 45.54 H new ATOM 0 HG LEU A 79 18.028 19.371 -21.954 1.00 71.23 H new ATOM 0 HD11 LEU A 79 16.416 19.211 -23.806 1.00 75.53 H new ATOM 0 HD12 LEU A 79 16.499 17.703 -22.865 1.00 75.53 H new ATOM 0 HD13 LEU A 79 15.127 18.815 -22.644 1.00 75.53 H new ATOM 0 HD21 LEU A 79 16.832 21.392 -22.720 1.00 74.42 H new ATOM 0 HD22 LEU A 79 15.568 21.098 -21.502 1.00 74.42 H new ATOM 0 HD23 LEU A 79 17.229 21.475 -20.987 1.00 74.42 H new ATOM 1246 N SER A 80 19.515 17.995 -19.614 1.00 61.13 N ATOM 1247 CA SER A 80 20.975 18.008 -19.781 1.00 65.41 C ATOM 1248 C SER A 80 21.556 16.587 -19.739 1.00 20.01 C ATOM 1249 O SER A 80 22.348 16.201 -20.603 1.00 43.22 O ATOM 1250 CB SER A 80 21.636 18.863 -18.689 1.00 13.33 C ATOM 1251 OG SER A 80 23.043 18.960 -18.883 1.00 71.22 O ATOM 0 H SER A 80 19.183 18.507 -18.797 1.00 61.13 H new ATOM 0 HA SER A 80 21.187 18.441 -20.758 1.00 65.41 H new ATOM 0 HB2 SER A 80 21.198 19.861 -18.692 1.00 13.33 H new ATOM 0 HB3 SER A 80 21.432 18.428 -17.711 1.00 13.33 H new ATOM 0 HG SER A 80 23.434 19.511 -18.173 1.00 71.22 H new ATOM 1257 N GLU A 81 21.142 15.805 -18.738 1.00 63.32 N ATOM 1258 CA GLU A 81 21.636 14.431 -18.564 1.00 23.21 C ATOM 1259 C GLU A 81 21.321 13.552 -19.787 1.00 71.34 C ATOM 1260 O GLU A 81 22.161 12.770 -20.236 1.00 33.01 O ATOM 1261 CB GLU A 81 21.027 13.797 -17.302 1.00 23.44 C ATOM 1262 CG GLU A 81 21.356 14.541 -16.010 1.00 1.00 C ATOM 1263 CD GLU A 81 20.815 13.839 -14.771 1.00 63.41 C ATOM 1264 OE1 GLU A 81 21.527 12.978 -14.210 1.00 61.43 O ATOM 1265 OE2 GLU A 81 19.677 14.140 -14.351 1.00 53.04 O ATOM 0 H GLU A 81 20.465 16.098 -18.034 1.00 63.32 H new ATOM 0 HA GLU A 81 22.719 14.488 -18.457 1.00 23.21 H new ATOM 0 HB2 GLU A 81 19.944 13.752 -17.417 1.00 23.44 H new ATOM 0 HB3 GLU A 81 21.381 12.770 -17.217 1.00 23.44 H new ATOM 0 HG2 GLU A 81 22.437 14.644 -15.921 1.00 1.00 H new ATOM 0 HG3 GLU A 81 20.943 15.548 -16.061 1.00 1.00 H new ATOM 1272 N LEU A 82 20.107 13.688 -20.318 1.00 24.55 N ATOM 1273 CA LEU A 82 19.661 12.903 -21.478 1.00 25.15 C ATOM 1274 C LEU A 82 20.372 13.328 -22.772 1.00 44.31 C ATOM 1275 O LEU A 82 20.756 12.482 -23.585 1.00 64.25 O ATOM 1276 CB LEU A 82 18.140 13.025 -21.629 1.00 73.41 C ATOM 1277 CG LEU A 82 17.332 12.363 -20.499 1.00 12.22 C ATOM 1278 CD1 LEU A 82 15.860 12.746 -20.583 1.00 12.01 C ATOM 1279 CD2 LEU A 82 17.497 10.844 -20.544 1.00 72.12 C ATOM 0 H LEU A 82 19.406 14.339 -19.963 1.00 24.55 H new ATOM 0 HA LEU A 82 19.925 11.861 -21.301 1.00 25.15 H new ATOM 0 HB2 LEU A 82 17.876 14.081 -21.677 1.00 73.41 H new ATOM 0 HB3 LEU A 82 17.845 12.579 -22.579 1.00 73.41 H new ATOM 0 HG LEU A 82 17.719 12.726 -19.547 1.00 12.22 H new ATOM 0 HD11 LEU A 82 15.312 12.265 -19.773 1.00 12.01 H new ATOM 0 HD12 LEU A 82 15.760 13.828 -20.496 1.00 12.01 H new ATOM 0 HD13 LEU A 82 15.453 12.420 -21.540 1.00 12.01 H new ATOM 0 HD21 LEU A 82 16.919 10.391 -19.738 1.00 72.12 H new ATOM 0 HD22 LEU A 82 17.140 10.467 -21.503 1.00 72.12 H new ATOM 0 HD23 LEU A 82 18.550 10.589 -20.423 1.00 72.12 H new ATOM 1291 N GLN A 83 20.552 14.634 -22.960 1.00 73.12 N ATOM 1292 CA GLN A 83 21.307 15.146 -24.110 1.00 45.52 C ATOM 1293 C GLN A 83 22.751 14.616 -24.089 1.00 14.24 C ATOM 1294 O GLN A 83 23.263 14.133 -25.100 1.00 71.32 O ATOM 1295 CB GLN A 83 21.294 16.682 -24.120 1.00 3.34 C ATOM 1296 CG GLN A 83 19.908 17.276 -24.358 1.00 52.44 C ATOM 1297 CD GLN A 83 19.877 18.798 -24.325 1.00 34.23 C ATOM 1298 OE1 GLN A 83 19.085 19.427 -25.017 1.00 22.43 O ATOM 1299 NE2 GLN A 83 20.722 19.404 -23.510 1.00 63.41 N ATOM 0 H GLN A 83 20.189 15.356 -22.337 1.00 73.12 H new ATOM 0 HA GLN A 83 20.827 14.792 -25.022 1.00 45.52 H new ATOM 0 HB2 GLN A 83 21.679 17.047 -23.168 1.00 3.34 H new ATOM 0 HB3 GLN A 83 21.972 17.038 -24.896 1.00 3.34 H new ATOM 0 HG2 GLN A 83 19.538 16.935 -25.325 1.00 52.44 H new ATOM 0 HG3 GLN A 83 19.224 16.892 -23.602 1.00 52.44 H new ATOM 0 HE21 GLN A 83 21.370 18.854 -22.946 1.00 63.41 H new ATOM 0 HE22 GLN A 83 20.726 20.422 -23.445 1.00 63.41 H new ATOM 1308 N ASP A 84 23.393 14.698 -22.925 1.00 10.41 N ATOM 1309 CA ASP A 84 24.731 14.126 -22.731 1.00 41.33 C ATOM 1310 C ASP A 84 24.719 12.596 -22.915 1.00 41.14 C ATOM 1311 O ASP A 84 25.637 12.021 -23.501 1.00 74.52 O ATOM 1312 CB ASP A 84 25.246 14.485 -21.332 1.00 72.15 C ATOM 1313 CG ASP A 84 26.599 13.868 -21.023 1.00 13.14 C ATOM 1314 OD1 ASP A 84 27.631 14.444 -21.432 1.00 74.24 O ATOM 1315 OD2 ASP A 84 26.639 12.805 -20.366 1.00 33.23 O ATOM 0 H ASP A 84 23.010 15.156 -22.098 1.00 10.41 H new ATOM 0 HA ASP A 84 25.396 14.547 -23.485 1.00 41.33 H new ATOM 0 HB2 ASP A 84 25.318 15.569 -21.244 1.00 72.15 H new ATOM 0 HB3 ASP A 84 24.522 14.153 -20.588 1.00 72.15 H new ATOM 1320 N ALA A 85 23.663 11.949 -22.418 1.00 5.23 N ATOM 1321 CA ALA A 85 23.542 10.488 -22.474 1.00 73.00 C ATOM 1322 C ALA A 85 23.582 9.959 -23.913 1.00 1.13 C ATOM 1323 O ALA A 85 24.341 9.039 -24.223 1.00 14.03 O ATOM 1324 CB ALA A 85 22.261 10.037 -21.779 1.00 51.52 C ATOM 0 H ALA A 85 22.875 12.415 -21.970 1.00 5.23 H new ATOM 0 HA ALA A 85 24.402 10.070 -21.951 1.00 73.00 H new ATOM 0 HB1 ALA A 85 22.184 8.951 -21.828 1.00 51.52 H new ATOM 0 HB2 ALA A 85 22.282 10.353 -20.736 1.00 51.52 H new ATOM 0 HB3 ALA A 85 21.400 10.485 -22.276 1.00 51.52 H new ATOM 1330 N LYS A 86 22.768 10.535 -24.796 1.00 51.25 N ATOM 1331 CA LYS A 86 22.756 10.098 -26.196 1.00 22.11 C ATOM 1332 C LYS A 86 24.042 10.528 -26.918 1.00 14.42 C ATOM 1333 O LYS A 86 24.540 9.817 -27.782 1.00 53.32 O ATOM 1334 CB LYS A 86 21.525 10.636 -26.944 1.00 33.12 C ATOM 1335 CG LYS A 86 21.680 12.057 -27.471 1.00 35.40 C ATOM 1336 CD LYS A 86 20.463 12.496 -28.281 1.00 55.51 C ATOM 1337 CE LYS A 86 20.729 13.797 -29.026 1.00 32.32 C ATOM 1338 NZ LYS A 86 21.742 13.629 -30.104 1.00 54.31 N ATOM 0 H LYS A 86 22.119 11.291 -24.576 1.00 51.25 H new ATOM 0 HA LYS A 86 22.704 9.009 -26.194 1.00 22.11 H new ATOM 0 HB2 LYS A 86 21.305 9.973 -27.781 1.00 33.12 H new ATOM 0 HB3 LYS A 86 20.665 10.601 -26.275 1.00 33.12 H new ATOM 0 HG2 LYS A 86 21.826 12.741 -26.635 1.00 35.40 H new ATOM 0 HG3 LYS A 86 22.573 12.119 -28.093 1.00 35.40 H new ATOM 0 HD2 LYS A 86 20.198 11.715 -28.994 1.00 55.51 H new ATOM 0 HD3 LYS A 86 19.609 12.624 -27.616 1.00 55.51 H new ATOM 0 HE2 LYS A 86 19.798 14.163 -29.458 1.00 32.32 H new ATOM 0 HE3 LYS A 86 21.073 14.554 -28.321 1.00 32.32 H new ATOM 0 HZ1 LYS A 86 22.450 14.387 -30.036 1.00 54.31 H new ATOM 0 HZ2 LYS A 86 22.211 12.707 -29.999 1.00 54.31 H new ATOM 0 HZ3 LYS A 86 21.273 13.676 -31.031 1.00 54.31 H new ATOM 1352 N LEU A 87 24.583 11.689 -26.540 1.00 73.24 N ATOM 1353 CA LEU A 87 25.802 12.220 -27.163 1.00 12.20 C ATOM 1354 C LEU A 87 26.988 11.255 -26.990 1.00 63.34 C ATOM 1355 O LEU A 87 27.623 10.849 -27.968 1.00 61.31 O ATOM 1356 CB LEU A 87 26.140 13.594 -26.565 1.00 62.00 C ATOM 1357 CG LEU A 87 27.385 14.287 -27.151 1.00 53.13 C ATOM 1358 CD1 LEU A 87 27.233 14.501 -28.655 1.00 44.13 C ATOM 1359 CD2 LEU A 87 27.645 15.613 -26.440 1.00 14.20 C ATOM 0 H LEU A 87 24.197 12.281 -25.805 1.00 73.24 H new ATOM 0 HA LEU A 87 25.617 12.329 -28.232 1.00 12.20 H new ATOM 0 HB2 LEU A 87 25.282 14.251 -26.703 1.00 62.00 H new ATOM 0 HB3 LEU A 87 26.283 13.478 -25.491 1.00 62.00 H new ATOM 0 HG LEU A 87 28.244 13.636 -26.989 1.00 53.13 H new ATOM 0 HD11 LEU A 87 28.125 14.992 -29.045 1.00 44.13 H new ATOM 0 HD12 LEU A 87 27.104 13.538 -29.148 1.00 44.13 H new ATOM 0 HD13 LEU A 87 26.361 15.127 -28.847 1.00 44.13 H new ATOM 0 HD21 LEU A 87 28.528 16.088 -26.867 1.00 14.20 H new ATOM 0 HD22 LEU A 87 26.783 16.269 -26.566 1.00 14.20 H new ATOM 0 HD23 LEU A 87 27.809 15.430 -25.378 1.00 14.20 H new ATOM 1371 N LYS A 88 27.278 10.877 -25.744 1.00 45.30 N ATOM 1372 CA LYS A 88 28.349 9.914 -25.465 1.00 35.15 C ATOM 1373 C LYS A 88 28.060 8.555 -26.125 1.00 35.12 C ATOM 1374 O LYS A 88 28.983 7.842 -26.520 1.00 22.22 O ATOM 1375 CB LYS A 88 28.573 9.766 -23.944 1.00 1.53 C ATOM 1376 CG LYS A 88 27.358 9.274 -23.150 1.00 40.11 C ATOM 1377 CD LYS A 88 27.297 7.749 -23.057 1.00 62.24 C ATOM 1378 CE LYS A 88 26.065 7.276 -22.293 1.00 55.23 C ATOM 1379 NZ LYS A 88 26.056 5.802 -22.113 1.00 41.45 N ATOM 0 H LYS A 88 26.791 11.219 -24.916 1.00 45.30 H new ATOM 0 HA LYS A 88 29.271 10.299 -25.901 1.00 35.15 H new ATOM 0 HB2 LYS A 88 29.399 9.073 -23.780 1.00 1.53 H new ATOM 0 HB3 LYS A 88 28.882 10.731 -23.543 1.00 1.53 H new ATOM 0 HG2 LYS A 88 27.390 9.695 -22.145 1.00 40.11 H new ATOM 0 HG3 LYS A 88 26.447 9.643 -23.621 1.00 40.11 H new ATOM 0 HD2 LYS A 88 27.287 7.324 -24.061 1.00 62.24 H new ATOM 0 HD3 LYS A 88 28.195 7.379 -22.563 1.00 62.24 H new ATOM 0 HE2 LYS A 88 26.035 7.761 -21.317 1.00 55.23 H new ATOM 0 HE3 LYS A 88 25.166 7.582 -22.829 1.00 55.23 H new ATOM 0 HZ1 LYS A 88 25.178 5.516 -21.634 1.00 41.45 H new ATOM 0 HZ2 LYS A 88 26.110 5.338 -23.042 1.00 41.45 H new ATOM 0 HZ3 LYS A 88 26.873 5.518 -21.536 1.00 41.45 H new ATOM 1393 N ALA A 89 26.774 8.212 -26.253 1.00 62.41 N ATOM 1394 CA ALA A 89 26.361 6.971 -26.921 1.00 42.30 C ATOM 1395 C ALA A 89 26.680 7.011 -28.426 1.00 75.11 C ATOM 1396 O ALA A 89 27.271 6.077 -28.971 1.00 11.24 O ATOM 1397 CB ALA A 89 24.872 6.718 -26.695 1.00 63.23 C ATOM 0 H ALA A 89 26.000 8.776 -25.903 1.00 62.41 H new ATOM 0 HA ALA A 89 26.928 6.149 -26.484 1.00 42.30 H new ATOM 0 HB1 ALA A 89 24.580 5.795 -27.196 1.00 63.23 H new ATOM 0 HB2 ALA A 89 24.676 6.629 -25.626 1.00 63.23 H new ATOM 0 HB3 ALA A 89 24.296 7.549 -27.101 1.00 63.23 H new ATOM 1403 N GLU A 90 26.303 8.110 -29.085 1.00 51.04 N ATOM 1404 CA GLU A 90 26.585 8.305 -30.514 1.00 22.12 C ATOM 1405 C GLU A 90 28.099 8.359 -30.778 1.00 24.12 C ATOM 1406 O GLU A 90 28.556 8.133 -31.899 1.00 75.34 O ATOM 1407 CB GLU A 90 25.922 9.601 -31.020 1.00 34.25 C ATOM 1408 CG GLU A 90 24.399 9.615 -30.901 1.00 43.33 C ATOM 1409 CD GLU A 90 23.776 10.895 -31.442 1.00 63.10 C ATOM 1410 OE1 GLU A 90 23.660 11.883 -30.678 1.00 54.04 O ATOM 1411 OE2 GLU A 90 23.405 10.924 -32.637 1.00 24.25 O ATOM 0 H GLU A 90 25.799 8.883 -28.651 1.00 51.04 H new ATOM 0 HA GLU A 90 26.170 7.454 -31.055 1.00 22.12 H new ATOM 0 HB2 GLU A 90 26.326 10.445 -30.461 1.00 34.25 H new ATOM 0 HB3 GLU A 90 26.195 9.751 -32.065 1.00 34.25 H new ATOM 0 HG2 GLU A 90 23.989 8.761 -31.440 1.00 43.33 H new ATOM 0 HG3 GLU A 90 24.120 9.495 -29.854 1.00 43.33 H new ATOM 1418 N GLY A 91 28.867 8.673 -29.737 1.00 54.14 N ATOM 1419 CA GLY A 91 30.321 8.688 -29.845 1.00 43.34 C ATOM 1420 C GLY A 91 30.957 7.315 -29.625 1.00 30.41 C ATOM 1421 O GLY A 91 32.111 7.093 -30.008 1.00 43.12 O ATOM 0 H GLY A 91 28.508 8.919 -28.815 1.00 54.14 H new ATOM 0 HA2 GLY A 91 30.602 9.057 -30.832 1.00 43.34 H new ATOM 0 HA3 GLY A 91 30.726 9.389 -29.115 1.00 43.34 H new ATOM 1425 N LEU A 92 30.214 6.391 -29.007 1.00 53.22 N ATOM 1426 CA LEU A 92 30.724 5.037 -28.734 1.00 24.42 C ATOM 1427 C LEU A 92 31.070 4.288 -30.031 1.00 74.02 C ATOM 1428 O LEU A 92 32.243 4.047 -30.327 1.00 53.13 O ATOM 1429 CB LEU A 92 29.704 4.219 -27.919 1.00 62.30 C ATOM 1430 CG LEU A 92 29.450 4.705 -26.483 1.00 54.10 C ATOM 1431 CD1 LEU A 92 28.384 3.846 -25.802 1.00 52.11 C ATOM 1432 CD2 LEU A 92 30.747 4.704 -25.676 1.00 22.50 C ATOM 0 H LEU A 92 29.259 6.552 -28.686 1.00 53.22 H new ATOM 0 HA LEU A 92 31.638 5.152 -28.151 1.00 24.42 H new ATOM 0 HB2 LEU A 92 28.755 4.219 -28.455 1.00 62.30 H new ATOM 0 HB3 LEU A 92 30.046 3.185 -27.877 1.00 62.30 H new ATOM 0 HG LEU A 92 29.080 5.729 -26.529 1.00 54.10 H new ATOM 0 HD11 LEU A 92 28.220 4.207 -24.787 1.00 52.11 H new ATOM 0 HD12 LEU A 92 27.452 3.908 -26.365 1.00 52.11 H new ATOM 0 HD13 LEU A 92 28.719 2.809 -25.769 1.00 52.11 H new ATOM 0 HD21 LEU A 92 30.545 5.051 -24.663 1.00 22.50 H new ATOM 0 HD22 LEU A 92 31.152 3.693 -25.639 1.00 22.50 H new ATOM 0 HD23 LEU A 92 31.471 5.367 -26.150 1.00 22.50 H new ATOM 1444 N GLU A 93 30.047 3.930 -30.803 1.00 52.23 N ATOM 1445 CA GLU A 93 30.243 3.172 -32.044 1.00 53.44 C ATOM 1446 C GLU A 93 30.144 4.069 -33.287 1.00 14.31 C ATOM 1447 O GLU A 93 29.407 5.057 -33.308 1.00 72.02 O ATOM 1448 CB GLU A 93 29.246 1.997 -32.117 1.00 72.10 C ATOM 1449 CG GLU A 93 27.785 2.352 -31.813 1.00 72.42 C ATOM 1450 CD GLU A 93 27.088 3.109 -32.936 1.00 41.01 C ATOM 1451 OE1 GLU A 93 27.029 2.578 -34.064 1.00 62.30 O ATOM 1452 OE2 GLU A 93 26.604 4.235 -32.697 1.00 61.52 O ATOM 0 H GLU A 93 29.073 4.151 -30.595 1.00 52.23 H new ATOM 0 HA GLU A 93 31.254 2.766 -32.031 1.00 53.44 H new ATOM 0 HB2 GLU A 93 29.296 1.562 -33.115 1.00 72.10 H new ATOM 0 HB3 GLU A 93 29.568 1.226 -31.417 1.00 72.10 H new ATOM 0 HG2 GLU A 93 27.233 1.434 -31.609 1.00 72.42 H new ATOM 0 HG3 GLU A 93 27.749 2.954 -30.905 1.00 72.42 H new ATOM 1459 N HIS A 94 30.907 3.731 -34.323 1.00 73.22 N ATOM 1460 CA HIS A 94 30.926 4.520 -35.557 1.00 42.43 C ATOM 1461 C HIS A 94 29.852 4.037 -36.546 1.00 43.44 C ATOM 1462 O HIS A 94 30.153 3.358 -37.530 1.00 12.02 O ATOM 1463 CB HIS A 94 32.326 4.479 -36.197 1.00 23.24 C ATOM 1464 CG HIS A 94 32.465 5.293 -37.454 1.00 33.21 C ATOM 1465 ND1 HIS A 94 33.278 4.921 -38.500 1.00 40.34 N ATOM 1466 CD2 HIS A 94 31.901 6.470 -37.825 1.00 3.20 C ATOM 1467 CE1 HIS A 94 33.211 5.823 -39.455 1.00 2.52 C ATOM 1468 NE2 HIS A 94 32.385 6.773 -39.073 1.00 55.23 N ATOM 0 H HIS A 94 31.521 2.917 -34.335 1.00 73.22 H new ATOM 0 HA HIS A 94 30.693 5.554 -35.303 1.00 42.43 H new ATOM 0 HB2 HIS A 94 33.055 4.834 -35.468 1.00 23.24 H new ATOM 0 HB3 HIS A 94 32.578 3.443 -36.421 1.00 23.24 H new ATOM 0 HD2 HIS A 94 31.203 7.058 -37.247 1.00 3.20 H new ATOM 0 HE1 HIS A 94 33.744 5.789 -40.394 1.00 2.52 H new ATOM 0 HE2 HIS A 94 32.143 7.601 -39.617 1.00 55.23 H new ATOM 1477 N HIS A 95 28.591 4.365 -36.254 1.00 53.43 N ATOM 1478 CA HIS A 95 27.483 4.085 -37.175 1.00 41.41 C ATOM 1479 C HIS A 95 27.757 4.679 -38.567 1.00 51.23 C ATOM 1480 O HIS A 95 28.073 5.863 -38.702 1.00 24.42 O ATOM 1481 CB HIS A 95 26.163 4.614 -36.596 1.00 2.13 C ATOM 1482 CG HIS A 95 26.251 5.999 -36.029 1.00 41.12 C ATOM 1483 ND1 HIS A 95 26.458 6.246 -34.690 1.00 4.13 N ATOM 1484 CD2 HIS A 95 26.132 7.214 -36.614 1.00 4.24 C ATOM 1485 CE1 HIS A 95 26.462 7.542 -34.475 1.00 15.33 C ATOM 1486 NE2 HIS A 95 26.266 8.158 -35.624 1.00 60.01 N ATOM 0 H HIS A 95 28.310 4.825 -35.388 1.00 53.43 H new ATOM 0 HA HIS A 95 27.397 3.005 -37.292 1.00 41.41 H new ATOM 0 HB2 HIS A 95 25.405 4.602 -37.379 1.00 2.13 H new ATOM 0 HB3 HIS A 95 25.824 3.934 -35.814 1.00 2.13 H new ATOM 0 HD1 HIS A 95 26.588 5.531 -33.974 1.00 4.13 H new ATOM 0 HD2 HIS A 95 25.963 7.406 -37.663 1.00 4.24 H new ATOM 0 HE1 HIS A 95 26.602 8.022 -33.518 1.00 15.33 H new ATOM 1495 N HIS A 96 27.623 3.850 -39.597 1.00 43.53 N ATOM 1496 CA HIS A 96 28.085 4.208 -40.945 1.00 2.50 C ATOM 1497 C HIS A 96 27.146 5.194 -41.664 1.00 20.13 C ATOM 1498 O HIS A 96 26.124 4.802 -42.234 1.00 43.32 O ATOM 1499 CB HIS A 96 28.271 2.941 -41.790 1.00 12.41 C ATOM 1500 CG HIS A 96 29.263 1.983 -41.204 1.00 3.14 C ATOM 1501 ND1 HIS A 96 30.615 2.045 -41.462 1.00 12.43 N ATOM 1502 CD2 HIS A 96 29.093 0.940 -40.358 1.00 74.40 C ATOM 1503 CE1 HIS A 96 31.231 1.083 -40.803 1.00 53.44 C ATOM 1504 NE2 HIS A 96 30.332 0.399 -40.125 1.00 51.41 N ATOM 0 H HIS A 96 27.199 2.925 -39.530 1.00 43.53 H new ATOM 0 HA HIS A 96 29.041 4.719 -40.826 1.00 2.50 H new ATOM 0 HB2 HIS A 96 27.310 2.439 -41.897 1.00 12.41 H new ATOM 0 HB3 HIS A 96 28.596 3.224 -42.791 1.00 12.41 H new ATOM 0 HD2 HIS A 96 28.156 0.598 -39.944 1.00 74.40 H new ATOM 0 HE1 HIS A 96 32.293 0.889 -40.817 1.00 53.44 H new ATOM 0 HE2 HIS A 96 30.526 -0.402 -39.525 1.00 51.41 H new ATOM 1513 N HIS A 97 27.506 6.478 -41.636 1.00 40.43 N ATOM 1514 CA HIS A 97 26.783 7.510 -42.390 1.00 24.33 C ATOM 1515 C HIS A 97 27.728 8.202 -43.383 1.00 11.12 C ATOM 1516 O HIS A 97 28.530 9.056 -43.004 1.00 63.54 O ATOM 1517 CB HIS A 97 26.158 8.551 -41.449 1.00 54.05 C ATOM 1518 CG HIS A 97 25.300 9.557 -42.165 1.00 71.42 C ATOM 1519 ND1 HIS A 97 25.772 10.775 -42.611 1.00 1.15 N ATOM 1520 CD2 HIS A 97 23.995 9.510 -42.532 1.00 45.41 C ATOM 1521 CE1 HIS A 97 24.799 11.427 -43.218 1.00 63.50 C ATOM 1522 NE2 HIS A 97 23.714 10.684 -43.185 1.00 1.23 N ATOM 0 H HIS A 97 28.297 6.832 -41.098 1.00 40.43 H new ATOM 0 HA HIS A 97 25.979 7.022 -42.940 1.00 24.33 H new ATOM 0 HB2 HIS A 97 25.556 8.038 -40.699 1.00 54.05 H new ATOM 0 HB3 HIS A 97 26.953 9.074 -40.917 1.00 54.05 H new ATOM 0 HD2 HIS A 97 23.306 8.700 -42.345 1.00 45.41 H new ATOM 0 HE1 HIS A 97 24.880 12.406 -43.667 1.00 63.50 H new ATOM 0 HE2 HIS A 97 22.809 10.939 -43.581 1.00 1.23 H new ATOM 1531 N HIS A 98 27.627 7.826 -44.652 1.00 22.24 N ATOM 1532 CA HIS A 98 28.539 8.327 -45.685 1.00 51.02 C ATOM 1533 C HIS A 98 28.357 9.837 -45.928 1.00 73.42 C ATOM 1534 O HIS A 98 27.247 10.306 -46.183 1.00 41.22 O ATOM 1535 CB HIS A 98 28.317 7.553 -46.989 1.00 3.23 C ATOM 1536 CG HIS A 98 29.389 7.770 -48.011 1.00 1.11 C ATOM 1537 ND1 HIS A 98 30.496 6.957 -48.113 1.00 60.54 N ATOM 1538 CD2 HIS A 98 29.527 8.707 -48.978 1.00 11.32 C ATOM 1539 CE1 HIS A 98 31.268 7.384 -49.091 1.00 41.41 C ATOM 1540 NE2 HIS A 98 30.703 8.443 -49.633 1.00 3.33 N ATOM 0 H HIS A 98 26.922 7.174 -44.996 1.00 22.24 H new ATOM 0 HA HIS A 98 29.559 8.173 -45.334 1.00 51.02 H new ATOM 0 HB2 HIS A 98 28.254 6.489 -46.763 1.00 3.23 H new ATOM 0 HB3 HIS A 98 27.357 7.845 -47.415 1.00 3.23 H new ATOM 0 HD2 HIS A 98 28.840 9.512 -49.194 1.00 11.32 H new ATOM 0 HE1 HIS A 98 32.205 6.941 -49.396 1.00 41.41 H new ATOM 0 HE2 HIS A 98 31.079 8.980 -50.414 1.00 3.33 H new ATOM 1549 N HIS A 99 29.457 10.589 -45.843 1.00 45.40 N ATOM 1550 CA HIS A 99 29.439 12.041 -46.088 1.00 2.54 C ATOM 1551 C HIS A 99 30.167 12.388 -47.406 1.00 23.44 C ATOM 1552 O HIS A 99 31.419 12.410 -47.417 1.00 38.40 O ATOM 1553 CB HIS A 99 30.082 12.780 -44.898 1.00 31.42 C ATOM 1554 CG HIS A 99 30.043 14.281 -45.006 1.00 71.35 C ATOM 1555 ND1 HIS A 99 29.109 15.062 -44.359 1.00 22.41 N ATOM 1556 CD2 HIS A 99 30.840 15.146 -45.681 1.00 22.35 C ATOM 1557 CE1 HIS A 99 29.333 16.332 -44.629 1.00 40.30 C ATOM 1558 NE2 HIS A 99 30.375 16.410 -45.427 1.00 71.54 N ATOM 1559 OXT HIS A 99 29.483 12.648 -48.422 1.00 38.40 O ATOM 0 H HIS A 99 30.377 10.218 -45.606 1.00 45.40 H new ATOM 0 HA HIS A 99 28.403 12.365 -46.186 1.00 2.54 H new ATOM 0 HB2 HIS A 99 29.574 12.480 -43.982 1.00 31.42 H new ATOM 0 HB3 HIS A 99 31.120 12.461 -44.805 1.00 31.42 H new ATOM 0 HD2 HIS A 99 31.684 14.887 -46.303 1.00 22.35 H new ATOM 0 HE1 HIS A 99 28.758 17.167 -44.258 1.00 40.30 H new ATOM 0 HE2 HIS A 99 30.773 17.273 -45.798 1.00 71.54 H new TER 1568 HIS A 99