USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 755 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 48 LYS NZ :NH3+ -117:sc= 0.47 (180deg=-0.293) USER MOD Set 2.1: A 43 TYR OH : rot -149:sc= 0.632 USER MOD Set 2.2: A 65 GLN : amide:sc= -1.93 X(o=-1.3,f=-1.7) USER MOD Set 3.1: A 10 TYR OH : rot -28:sc= -0.113 USER MOD Set 3.2: A 45 HIS : no HD1:sc= 0.0421 K(o=-0.071,f=-3.4) USER MOD Single : A 1 GLU N :NH3+ -161:sc= 0.0137 (180deg=-1!) USER MOD Single : A 8 THR OG1 : rot 60:sc= 0.267 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 16 HIS : no HD1:sc= -0.554 K(o=-0.55,f=-0.041) USER MOD Single : A 18 LYS NZ :NH3+ -165:sc= -0.0273 (180deg=-0.214) USER MOD Single : A 19 HIS : no HD1:sc= -0.645 K(o=-0.64,f=0.16) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 23 SER OG : rot 180:sc= -0.212 USER MOD Single : A 35 THR OG1 : rot 94:sc= 0.249 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 136:sc= -1.93! USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 74:sc= 0.764 USER MOD Single : A 63 TYR OH : rot -156:sc= 0.493 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.386 USER MOD Single : A 76 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.0048) USER MOD Single : A 77 LYS NZ :NH3+ 164:sc= -0.0873 (180deg=-0.475) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -1.26 K(o=-1.3,f=-0.068) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 149:sc= 0.916 (180deg=0.222) USER MOD Single : A 94 HIS : no HD1:sc= -0.317 X(o=-0.32,f=-0.092) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=-0.26) 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=-0.011) USER MOD Single : A 98 HIS : no HD1:sc= -0.0856 K(o=-0.086,f=-0.65) USER MOD Single : A 99 HIS : no HE2:sc= -0.0791 K(o=-0.079,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 3.089 -2.480 -1.365 1.00 51.34 N ATOM 2 CA GLU A 1 2.700 -1.582 -2.488 1.00 21.25 C ATOM 3 C GLU A 1 2.259 -2.387 -3.716 1.00 61.21 C ATOM 4 O GLU A 1 2.537 -3.584 -3.822 1.00 64.14 O ATOM 5 CB GLU A 1 3.861 -0.641 -2.860 1.00 42.11 C ATOM 6 CG GLU A 1 4.135 0.463 -1.837 1.00 61.30 C ATOM 7 CD GLU A 1 4.551 -0.066 -0.473 1.00 40.24 C ATOM 8 OE1 GLU A 1 3.663 -0.378 0.347 1.00 62.11 O ATOM 9 OE2 GLU A 1 5.766 -0.194 -0.218 1.00 15.03 O ATOM 0 H1 GLU A 1 3.071 -1.947 -0.472 1.00 51.34 H new ATOM 0 H2 GLU A 1 2.420 -3.274 -1.308 1.00 51.34 H new ATOM 0 H3 GLU A 1 4.048 -2.846 -1.530 1.00 51.34 H new ATOM 0 HA GLU A 1 1.855 -0.981 -2.153 1.00 21.25 H new ATOM 0 HB2 GLU A 1 4.767 -1.234 -2.987 1.00 42.11 H new ATOM 0 HB3 GLU A 1 3.644 -0.180 -3.824 1.00 42.11 H new ATOM 0 HG2 GLU A 1 4.919 1.116 -2.220 1.00 61.30 H new ATOM 0 HG3 GLU A 1 3.239 1.073 -1.724 1.00 61.30 H new ATOM 18 N ASP A 2 1.567 -1.724 -4.639 1.00 15.01 N ATOM 19 CA ASP A 2 1.051 -2.373 -5.849 1.00 21.14 C ATOM 20 C ASP A 2 1.989 -2.159 -7.049 1.00 40.21 C ATOM 21 O ASP A 2 2.625 -1.111 -7.166 1.00 51.14 O ATOM 22 CB ASP A 2 -0.334 -1.809 -6.193 1.00 21.53 C ATOM 23 CG ASP A 2 -1.311 -1.925 -5.040 1.00 41.24 C ATOM 24 OD1 ASP A 2 -1.207 -1.124 -4.089 1.00 21.44 O ATOM 25 OD2 ASP A 2 -2.185 -2.811 -5.074 1.00 20.01 O ATOM 0 H ASP A 2 1.348 -0.730 -4.574 1.00 15.01 H new ATOM 0 HA ASP A 2 0.984 -3.442 -5.647 1.00 21.14 H new ATOM 0 HB2 ASP A 2 -0.236 -0.761 -6.478 1.00 21.53 H new ATOM 0 HB3 ASP A 2 -0.734 -2.338 -7.058 1.00 21.53 H new ATOM 30 N PRO A 3 2.066 -3.138 -7.979 1.00 3.43 N ATOM 31 CA PRO A 3 2.805 -2.971 -9.248 1.00 23.35 C ATOM 32 C PRO A 3 2.243 -1.816 -10.103 1.00 14.03 C ATOM 33 O PRO A 3 2.805 -1.453 -11.137 1.00 1.23 O ATOM 34 CB PRO A 3 2.613 -4.324 -9.961 1.00 51.33 C ATOM 35 CG PRO A 3 2.241 -5.282 -8.877 1.00 53.30 C ATOM 36 CD PRO A 3 1.465 -4.479 -7.867 1.00 3.22 C ATOM 0 HA PRO A 3 3.851 -2.715 -9.081 1.00 23.35 H new ATOM 0 HB2 PRO A 3 1.832 -4.263 -10.719 1.00 51.33 H new ATOM 0 HB3 PRO A 3 3.526 -4.636 -10.468 1.00 51.33 H new ATOM 0 HG2 PRO A 3 1.640 -6.102 -9.270 1.00 53.30 H new ATOM 0 HG3 PRO A 3 3.129 -5.725 -8.425 1.00 53.30 H new ATOM 0 HD2 PRO A 3 0.399 -4.464 -8.096 1.00 3.22 H new ATOM 0 HD3 PRO A 3 1.570 -4.886 -6.861 1.00 3.22 H new ATOM 44 N GLU A 4 1.118 -1.254 -9.663 1.00 30.13 N ATOM 45 CA GLU A 4 0.493 -0.111 -10.329 1.00 20.14 C ATOM 46 C GLU A 4 1.161 1.218 -9.924 1.00 35.45 C ATOM 47 O GLU A 4 1.174 2.174 -10.697 1.00 55.12 O ATOM 48 CB GLU A 4 -1.000 -0.071 -9.985 1.00 53.51 C ATOM 49 CG GLU A 4 -1.755 -1.332 -10.388 1.00 62.42 C ATOM 50 CD GLU A 4 -3.230 -1.262 -10.035 1.00 0.02 C ATOM 51 OE1 GLU A 4 -3.985 -0.586 -10.762 1.00 71.13 O ATOM 52 OE2 GLU A 4 -3.641 -1.868 -9.021 1.00 63.11 O ATOM 0 H GLU A 4 0.615 -1.577 -8.837 1.00 30.13 H new ATOM 0 HA GLU A 4 0.623 -0.233 -11.404 1.00 20.14 H new ATOM 0 HB2 GLU A 4 -1.113 0.082 -8.912 1.00 53.51 H new ATOM 0 HB3 GLU A 4 -1.455 0.788 -10.479 1.00 53.51 H new ATOM 0 HG2 GLU A 4 -1.648 -1.489 -11.461 1.00 62.42 H new ATOM 0 HG3 GLU A 4 -1.307 -2.194 -9.894 1.00 62.42 H new ATOM 59 N ASP A 5 1.720 1.265 -8.712 1.00 42.40 N ATOM 60 CA ASP A 5 2.390 2.473 -8.209 1.00 12.21 C ATOM 61 C ASP A 5 3.602 2.838 -9.093 1.00 73.35 C ATOM 62 O ASP A 5 4.532 2.041 -9.229 1.00 61.30 O ATOM 63 CB ASP A 5 2.829 2.257 -6.752 1.00 15.20 C ATOM 64 CG ASP A 5 3.555 3.460 -6.160 1.00 74.10 C ATOM 65 OD1 ASP A 5 4.782 3.584 -6.363 1.00 63.24 O ATOM 66 OD2 ASP A 5 2.905 4.287 -5.488 1.00 13.33 O ATOM 0 H ASP A 5 1.723 0.482 -8.059 1.00 42.40 H new ATOM 0 HA ASP A 5 1.686 3.304 -8.247 1.00 12.21 H new ATOM 0 HB2 ASP A 5 1.952 2.034 -6.144 1.00 15.20 H new ATOM 0 HB3 ASP A 5 3.482 1.385 -6.701 1.00 15.20 H new ATOM 71 N PRO A 6 3.590 4.043 -9.712 1.00 33.00 N ATOM 72 CA PRO A 6 4.659 4.506 -10.618 1.00 32.41 C ATOM 73 C PRO A 6 6.081 4.164 -10.140 1.00 52.24 C ATOM 74 O PRO A 6 6.840 3.493 -10.846 1.00 41.40 O ATOM 75 CB PRO A 6 4.456 6.023 -10.638 1.00 14.34 C ATOM 76 CG PRO A 6 2.992 6.217 -10.420 1.00 54.41 C ATOM 77 CD PRO A 6 2.512 5.047 -9.591 1.00 22.45 C ATOM 0 HA PRO A 6 4.587 4.020 -11.591 1.00 32.41 H new ATOM 0 HB2 PRO A 6 5.040 6.510 -9.857 1.00 14.34 H new ATOM 0 HB3 PRO A 6 4.774 6.452 -11.588 1.00 14.34 H new ATOM 0 HG2 PRO A 6 2.800 7.159 -9.906 1.00 54.41 H new ATOM 0 HG3 PRO A 6 2.462 6.259 -11.372 1.00 54.41 H new ATOM 0 HD2 PRO A 6 2.352 5.335 -8.552 1.00 22.45 H new ATOM 0 HD3 PRO A 6 1.564 4.659 -9.963 1.00 22.45 H new ATOM 85 N PHE A 7 6.433 4.617 -8.939 1.00 74.31 N ATOM 86 CA PHE A 7 7.769 4.379 -8.386 1.00 53.11 C ATOM 87 C PHE A 7 7.998 2.891 -8.075 1.00 72.10 C ATOM 88 O PHE A 7 9.119 2.394 -8.183 1.00 54.53 O ATOM 89 CB PHE A 7 7.982 5.221 -7.122 1.00 31.22 C ATOM 90 CG PHE A 7 9.367 5.082 -6.531 1.00 21.43 C ATOM 91 CD1 PHE A 7 10.459 5.680 -7.145 1.00 75.24 C ATOM 92 CD2 PHE A 7 9.577 4.349 -5.370 1.00 41.41 C ATOM 93 CE1 PHE A 7 11.729 5.551 -6.612 1.00 43.43 C ATOM 94 CE2 PHE A 7 10.845 4.218 -4.836 1.00 21.33 C ATOM 95 CZ PHE A 7 11.922 4.820 -5.457 1.00 44.45 C ATOM 0 H PHE A 7 5.814 5.151 -8.329 1.00 74.31 H new ATOM 0 HA PHE A 7 8.495 4.678 -9.142 1.00 53.11 H new ATOM 0 HB2 PHE A 7 7.800 6.269 -7.358 1.00 31.22 H new ATOM 0 HB3 PHE A 7 7.245 4.931 -6.373 1.00 31.22 H new ATOM 0 HD1 PHE A 7 10.315 6.253 -8.049 1.00 75.24 H new ATOM 0 HD2 PHE A 7 8.740 3.876 -4.879 1.00 41.41 H new ATOM 0 HE1 PHE A 7 12.570 6.022 -7.100 1.00 43.43 H new ATOM 0 HE2 PHE A 7 10.994 3.645 -3.933 1.00 21.33 H new ATOM 0 HZ PHE A 7 12.913 4.719 -5.040 1.00 44.45 H new ATOM 105 N THR A 8 6.935 2.180 -7.699 1.00 12.23 N ATOM 106 CA THR A 8 7.041 0.746 -7.379 1.00 41.13 C ATOM 107 C THR A 8 7.357 -0.085 -8.632 1.00 13.32 C ATOM 108 O THR A 8 8.339 -0.822 -8.662 1.00 34.12 O ATOM 109 CB THR A 8 5.751 0.201 -6.713 1.00 13.23 C ATOM 110 OG1 THR A 8 5.509 0.882 -5.473 1.00 21.24 O ATOM 111 CG2 THR A 8 5.846 -1.300 -6.446 1.00 13.31 C ATOM 0 H THR A 8 5.995 2.565 -7.607 1.00 12.23 H new ATOM 0 HA THR A 8 7.863 0.651 -6.669 1.00 41.13 H new ATOM 0 HB THR A 8 4.928 0.379 -7.405 1.00 13.23 H new ATOM 0 HG1 THR A 8 5.397 1.841 -5.643 1.00 21.24 H new ATOM 0 HG21 THR A 8 4.924 -1.646 -5.979 1.00 13.31 H new ATOM 0 HG22 THR A 8 5.996 -1.828 -7.388 1.00 13.31 H new ATOM 0 HG23 THR A 8 6.686 -1.499 -5.781 1.00 13.31 H new ATOM 119 N ARG A 9 6.528 0.044 -9.669 1.00 61.21 N ATOM 120 CA ARG A 9 6.762 -0.659 -10.944 1.00 63.23 C ATOM 121 C ARG A 9 8.114 -0.254 -11.557 1.00 3.23 C ATOM 122 O ARG A 9 8.795 -1.066 -12.187 1.00 32.13 O ATOM 123 CB ARG A 9 5.605 -0.388 -11.920 1.00 21.23 C ATOM 124 CG ARG A 9 5.254 1.092 -12.072 1.00 51.05 C ATOM 125 CD ARG A 9 3.859 1.299 -12.663 1.00 43.04 C ATOM 126 NE ARG A 9 3.795 0.966 -14.084 1.00 55.40 N ATOM 127 CZ ARG A 9 3.155 -0.058 -14.579 1.00 12.45 C ATOM 128 NH1 ARG A 9 2.570 -0.915 -13.807 1.00 64.13 N ATOM 129 NH2 ARG A 9 3.108 -0.220 -15.858 1.00 71.44 N ATOM 0 H ARG A 9 5.690 0.625 -9.657 1.00 61.21 H new ATOM 0 HA ARG A 9 6.800 -1.730 -10.747 1.00 63.23 H new ATOM 0 HB2 ARG A 9 5.866 -0.791 -12.898 1.00 21.23 H new ATOM 0 HB3 ARG A 9 4.721 -0.927 -11.579 1.00 21.23 H new ATOM 0 HG2 ARG A 9 5.310 1.578 -11.098 1.00 51.05 H new ATOM 0 HG3 ARG A 9 5.993 1.575 -12.712 1.00 51.05 H new ATOM 0 HD2 ARG A 9 3.143 0.685 -12.117 1.00 43.04 H new ATOM 0 HD3 ARG A 9 3.560 2.338 -12.523 1.00 43.04 H new ATOM 0 HE ARG A 9 4.286 1.578 -14.736 1.00 55.40 H new ATOM 0 HH11 ARG A 9 2.605 -0.796 -12.795 1.00 64.13 H new ATOM 0 HH12 ARG A 9 2.074 -1.710 -14.211 1.00 64.13 H new ATOM 0 HH21 ARG A 9 3.569 0.450 -16.474 1.00 71.44 H new ATOM 0 HH22 ARG A 9 2.610 -1.018 -16.253 1.00 71.44 H new ATOM 143 N TYR A 10 8.495 1.005 -11.353 1.00 14.02 N ATOM 144 CA TYR A 10 9.825 1.495 -11.731 1.00 60.41 C ATOM 145 C TYR A 10 10.930 0.800 -10.906 1.00 40.42 C ATOM 146 O TYR A 10 11.964 0.395 -11.444 1.00 31.25 O ATOM 147 CB TYR A 10 9.871 3.021 -11.539 1.00 34.12 C ATOM 148 CG TYR A 10 11.264 3.620 -11.488 1.00 72.41 C ATOM 149 CD1 TYR A 10 12.045 3.741 -12.633 1.00 53.35 C ATOM 150 CD2 TYR A 10 11.791 4.076 -10.285 1.00 74.42 C ATOM 151 CE1 TYR A 10 13.309 4.296 -12.576 1.00 34.43 C ATOM 152 CE2 TYR A 10 13.051 4.631 -10.221 1.00 12.11 C ATOM 153 CZ TYR A 10 13.807 4.739 -11.366 1.00 25.40 C ATOM 154 OH TYR A 10 15.066 5.291 -11.300 1.00 12.14 O ATOM 0 H TYR A 10 7.898 1.712 -10.924 1.00 14.02 H new ATOM 0 HA TYR A 10 10.009 1.258 -12.779 1.00 60.41 H new ATOM 0 HB2 TYR A 10 9.319 3.491 -12.353 1.00 34.12 H new ATOM 0 HB3 TYR A 10 9.350 3.272 -10.615 1.00 34.12 H new ATOM 0 HD1 TYR A 10 11.658 3.396 -13.580 1.00 53.35 H new ATOM 0 HD2 TYR A 10 11.202 3.994 -9.384 1.00 74.42 H new ATOM 0 HE1 TYR A 10 13.905 4.383 -13.473 1.00 34.43 H new ATOM 0 HE2 TYR A 10 13.443 4.979 -9.277 1.00 12.11 H new ATOM 0 HH TYR A 10 15.625 4.916 -12.012 1.00 12.14 H new ATOM 164 N ALA A 11 10.696 0.654 -9.602 1.00 34.41 N ATOM 165 CA ALA A 11 11.661 0.010 -8.704 1.00 35.41 C ATOM 166 C ALA A 11 11.849 -1.479 -9.038 1.00 1.51 C ATOM 167 O ALA A 11 12.976 -1.967 -9.116 1.00 73.03 O ATOM 168 CB ALA A 11 11.222 0.179 -7.254 1.00 62.32 C ATOM 0 H ALA A 11 9.844 0.973 -9.140 1.00 34.41 H new ATOM 0 HA ALA A 11 12.624 0.500 -8.847 1.00 35.41 H new ATOM 0 HB1 ALA A 11 11.945 -0.303 -6.596 1.00 62.32 H new ATOM 0 HB2 ALA A 11 11.163 1.240 -7.013 1.00 62.32 H new ATOM 0 HB3 ALA A 11 10.243 -0.280 -7.114 1.00 62.32 H new ATOM 174 N LEU A 12 10.743 -2.197 -9.236 1.00 53.23 N ATOM 175 CA LEU A 12 10.799 -3.615 -9.616 1.00 13.32 C ATOM 176 C LEU A 12 11.598 -3.816 -10.914 1.00 31.51 C ATOM 177 O LEU A 12 12.313 -4.810 -11.069 1.00 43.34 O ATOM 178 CB LEU A 12 9.379 -4.200 -9.761 1.00 70.24 C ATOM 179 CG LEU A 12 8.731 -4.718 -8.459 1.00 14.03 C ATOM 180 CD1 LEU A 12 9.526 -5.891 -7.888 1.00 34.25 C ATOM 181 CD2 LEU A 12 8.608 -3.605 -7.423 1.00 54.13 C ATOM 0 H LEU A 12 9.798 -1.824 -9.141 1.00 53.23 H new ATOM 0 HA LEU A 12 11.314 -4.150 -8.818 1.00 13.32 H new ATOM 0 HB2 LEU A 12 8.732 -3.433 -10.187 1.00 70.24 H new ATOM 0 HB3 LEU A 12 9.416 -5.020 -10.478 1.00 70.24 H new ATOM 0 HG LEU A 12 7.727 -5.065 -8.704 1.00 14.03 H new ATOM 0 HD11 LEU A 12 9.052 -6.240 -6.971 1.00 34.25 H new ATOM 0 HD12 LEU A 12 9.550 -6.702 -8.615 1.00 34.25 H new ATOM 0 HD13 LEU A 12 10.544 -5.569 -7.670 1.00 34.25 H new ATOM 0 HD21 LEU A 12 8.148 -4.000 -6.517 1.00 54.13 H new ATOM 0 HD22 LEU A 12 9.599 -3.216 -7.187 1.00 54.13 H new ATOM 0 HD23 LEU A 12 7.989 -2.802 -7.823 1.00 54.13 H new ATOM 193 N ALA A 13 11.478 -2.870 -11.845 1.00 73.43 N ATOM 194 CA ALA A 13 12.283 -2.890 -13.068 1.00 25.51 C ATOM 195 C ALA A 13 13.783 -2.896 -12.733 1.00 30.24 C ATOM 196 O ALA A 13 14.551 -3.692 -13.278 1.00 51.23 O ATOM 197 CB ALA A 13 11.930 -1.702 -13.954 1.00 43.20 C ATOM 0 H ALA A 13 10.834 -2.082 -11.777 1.00 73.43 H new ATOM 0 HA ALA A 13 12.057 -3.806 -13.615 1.00 25.51 H new ATOM 0 HB1 ALA A 13 12.536 -1.730 -14.859 1.00 43.20 H new ATOM 0 HB2 ALA A 13 10.875 -1.749 -14.223 1.00 43.20 H new ATOM 0 HB3 ALA A 13 12.126 -0.775 -13.415 1.00 43.20 H new ATOM 203 N GLN A 14 14.187 -2.023 -11.810 1.00 1.51 N ATOM 204 CA GLN A 14 15.581 -1.969 -11.356 1.00 5.33 C ATOM 205 C GLN A 14 15.968 -3.238 -10.576 1.00 73.53 C ATOM 206 O GLN A 14 17.094 -3.722 -10.688 1.00 64.01 O ATOM 207 CB GLN A 14 15.827 -0.718 -10.500 1.00 65.34 C ATOM 208 CG GLN A 14 15.693 0.589 -11.277 1.00 53.43 C ATOM 209 CD GLN A 14 16.125 1.800 -10.466 1.00 60.10 C ATOM 210 OE1 GLN A 14 15.324 2.442 -9.799 1.00 15.00 O ATOM 211 NE2 GLN A 14 17.404 2.114 -10.513 1.00 54.35 N ATOM 0 H GLN A 14 13.572 -1.344 -11.362 1.00 1.51 H new ATOM 0 HA GLN A 14 16.213 -1.914 -12.242 1.00 5.33 H new ATOM 0 HB2 GLN A 14 15.121 -0.711 -9.670 1.00 65.34 H new ATOM 0 HB3 GLN A 14 16.826 -0.774 -10.068 1.00 65.34 H new ATOM 0 HG2 GLN A 14 16.294 0.531 -12.184 1.00 53.43 H new ATOM 0 HG3 GLN A 14 14.657 0.717 -11.589 1.00 53.43 H new ATOM 0 HE21 GLN A 14 18.045 1.558 -11.079 1.00 54.35 H new ATOM 0 HE22 GLN A 14 17.753 2.913 -9.983 1.00 54.35 H new ATOM 220 N GLU A 15 15.030 -3.776 -9.794 1.00 53.10 N ATOM 221 CA GLU A 15 15.244 -5.049 -9.089 1.00 65.15 C ATOM 222 C GLU A 15 15.573 -6.181 -10.071 1.00 31.52 C ATOM 223 O GLU A 15 16.410 -7.042 -9.790 1.00 31.43 O ATOM 224 CB GLU A 15 14.011 -5.422 -8.251 1.00 22.53 C ATOM 225 CG GLU A 15 13.834 -4.577 -6.993 1.00 20.15 C ATOM 226 CD GLU A 15 14.973 -4.756 -5.995 1.00 41.24 C ATOM 227 OE1 GLU A 15 15.359 -5.915 -5.726 1.00 64.30 O ATOM 228 OE2 GLU A 15 15.473 -3.742 -5.459 1.00 3.54 O ATOM 0 H GLU A 15 14.116 -3.354 -9.631 1.00 53.10 H new ATOM 0 HA GLU A 15 16.096 -4.915 -8.422 1.00 65.15 H new ATOM 0 HB2 GLU A 15 13.120 -5.322 -8.871 1.00 22.53 H new ATOM 0 HB3 GLU A 15 14.084 -6.471 -7.964 1.00 22.53 H new ATOM 0 HG2 GLU A 15 13.765 -3.526 -7.274 1.00 20.15 H new ATOM 0 HG3 GLU A 15 12.892 -4.841 -6.513 1.00 20.15 H new ATOM 235 N HIS A 16 14.914 -6.176 -11.228 1.00 51.15 N ATOM 236 CA HIS A 16 15.221 -7.145 -12.282 1.00 54.33 C ATOM 237 C HIS A 16 16.644 -6.930 -12.832 1.00 21.52 C ATOM 238 O HIS A 16 17.396 -7.886 -13.015 1.00 61.55 O ATOM 239 CB HIS A 16 14.190 -7.067 -13.416 1.00 71.41 C ATOM 240 CG HIS A 16 12.816 -7.523 -13.017 1.00 64.55 C ATOM 241 ND1 HIS A 16 12.552 -8.789 -12.547 1.00 13.14 N ATOM 242 CD2 HIS A 16 11.626 -6.874 -13.014 1.00 21.15 C ATOM 243 CE1 HIS A 16 11.269 -8.903 -12.278 1.00 63.14 C ATOM 244 NE2 HIS A 16 10.681 -7.756 -12.547 1.00 74.34 N ATOM 0 H HIS A 16 14.170 -5.518 -11.460 1.00 51.15 H new ATOM 0 HA HIS A 16 15.172 -8.141 -11.842 1.00 54.33 H new ATOM 0 HB2 HIS A 16 14.132 -6.038 -13.772 1.00 71.41 H new ATOM 0 HB3 HIS A 16 14.536 -7.675 -14.252 1.00 71.41 H new ATOM 0 HD2 HIS A 16 11.453 -5.853 -13.321 1.00 21.15 H new ATOM 0 HE1 HIS A 16 10.780 -9.789 -11.900 1.00 63.14 H new ATOM 0 HE2 HIS A 16 9.688 -7.555 -12.428 1.00 74.34 H new ATOM 253 N LEU A 17 17.007 -5.668 -13.081 1.00 42.23 N ATOM 254 CA LEU A 17 18.373 -5.317 -13.515 1.00 23.30 C ATOM 255 C LEU A 17 19.423 -5.819 -12.509 1.00 40.24 C ATOM 256 O LEU A 17 20.473 -6.344 -12.894 1.00 64.04 O ATOM 257 CB LEU A 17 18.506 -3.795 -13.683 1.00 52.42 C ATOM 258 CG LEU A 17 17.627 -3.174 -14.779 1.00 73.44 C ATOM 259 CD1 LEU A 17 17.771 -1.654 -14.796 1.00 30.24 C ATOM 260 CD2 LEU A 17 17.974 -3.767 -16.143 1.00 15.31 C ATOM 0 H LEU A 17 16.379 -4.870 -12.991 1.00 42.23 H new ATOM 0 HA LEU A 17 18.552 -5.804 -14.474 1.00 23.30 H new ATOM 0 HB2 LEU A 17 18.263 -3.319 -12.733 1.00 52.42 H new ATOM 0 HB3 LEU A 17 19.548 -3.560 -13.900 1.00 52.42 H new ATOM 0 HG LEU A 17 16.586 -3.410 -14.557 1.00 73.44 H new ATOM 0 HD11 LEU A 17 17.139 -1.237 -15.580 1.00 30.24 H new ATOM 0 HD12 LEU A 17 17.466 -1.249 -13.831 1.00 30.24 H new ATOM 0 HD13 LEU A 17 18.811 -1.389 -14.989 1.00 30.24 H new ATOM 0 HD21 LEU A 17 17.342 -3.316 -16.908 1.00 15.31 H new ATOM 0 HD22 LEU A 17 19.020 -3.565 -16.372 1.00 15.31 H new ATOM 0 HD23 LEU A 17 17.808 -4.844 -16.124 1.00 15.31 H new ATOM 272 N LYS A 18 19.118 -5.659 -11.220 1.00 41.42 N ATOM 273 CA LYS A 18 19.983 -6.143 -10.134 1.00 20.14 C ATOM 274 C LYS A 18 20.257 -7.649 -10.249 1.00 22.03 C ATOM 275 O LYS A 18 21.372 -8.108 -10.002 1.00 74.10 O ATOM 276 CB LYS A 18 19.336 -5.844 -8.776 1.00 50.44 C ATOM 277 CG LYS A 18 19.271 -4.360 -8.432 1.00 31.03 C ATOM 278 CD LYS A 18 18.536 -4.120 -7.118 1.00 21.35 C ATOM 279 CE LYS A 18 18.633 -2.668 -6.665 1.00 75.13 C ATOM 280 NZ LYS A 18 20.027 -2.288 -6.306 1.00 12.31 N ATOM 0 H LYS A 18 18.270 -5.193 -10.897 1.00 41.42 H new ATOM 0 HA LYS A 18 20.936 -5.620 -10.216 1.00 20.14 H new ATOM 0 HB2 LYS A 18 18.325 -6.252 -8.769 1.00 50.44 H new ATOM 0 HB3 LYS A 18 19.895 -6.363 -7.997 1.00 50.44 H new ATOM 0 HG2 LYS A 18 20.282 -3.957 -8.363 1.00 31.03 H new ATOM 0 HG3 LYS A 18 18.767 -3.822 -9.235 1.00 31.03 H new ATOM 0 HD2 LYS A 18 17.487 -4.394 -7.234 1.00 21.35 H new ATOM 0 HD3 LYS A 18 18.951 -4.769 -6.347 1.00 21.35 H new ATOM 0 HE2 LYS A 18 18.273 -2.015 -7.460 1.00 75.13 H new ATOM 0 HE3 LYS A 18 17.982 -2.512 -5.805 1.00 75.13 H new ATOM 0 HZ1 LYS A 18 20.017 -1.396 -5.771 1.00 12.31 H new ATOM 0 HZ2 LYS A 18 20.452 -3.037 -5.722 1.00 12.31 H new ATOM 0 HZ3 LYS A 18 20.588 -2.165 -7.173 1.00 12.31 H new ATOM 294 N HIS A 19 19.233 -8.415 -10.618 1.00 44.40 N ATOM 295 CA HIS A 19 19.376 -9.866 -10.802 1.00 60.10 C ATOM 296 C HIS A 19 19.653 -10.223 -12.275 1.00 41.45 C ATOM 297 O HIS A 19 19.537 -11.383 -12.679 1.00 62.10 O ATOM 298 CB HIS A 19 18.123 -10.584 -10.293 1.00 43.15 C ATOM 299 CG HIS A 19 17.924 -10.451 -8.811 1.00 12.40 C ATOM 300 ND1 HIS A 19 18.440 -11.349 -7.901 1.00 71.41 N ATOM 301 CD2 HIS A 19 17.269 -9.518 -8.076 1.00 10.04 C ATOM 302 CE1 HIS A 19 18.114 -10.977 -6.680 1.00 61.30 C ATOM 303 NE2 HIS A 19 17.406 -9.871 -6.755 1.00 71.31 N ATOM 0 H HIS A 19 18.294 -8.060 -10.797 1.00 44.40 H new ATOM 0 HA HIS A 19 20.235 -10.201 -10.220 1.00 60.10 H new ATOM 0 HB2 HIS A 19 17.249 -10.184 -10.807 1.00 43.15 H new ATOM 0 HB3 HIS A 19 18.188 -11.641 -10.551 1.00 43.15 H new ATOM 0 HD2 HIS A 19 16.739 -8.658 -8.458 1.00 10.04 H new ATOM 0 HE1 HIS A 19 18.383 -11.493 -5.770 1.00 61.30 H new ATOM 0 HE2 HIS A 19 17.021 -9.359 -5.961 1.00 71.31 H new ATOM 312 N ASP A 20 20.021 -9.205 -13.056 1.00 11.23 N ATOM 313 CA ASP A 20 20.449 -9.357 -14.454 1.00 35.31 C ATOM 314 C ASP A 20 19.277 -9.641 -15.420 1.00 62.13 C ATOM 315 O ASP A 20 19.487 -9.823 -16.623 1.00 42.42 O ATOM 316 CB ASP A 20 21.534 -10.442 -14.574 1.00 41.20 C ATOM 317 CG ASP A 20 22.291 -10.357 -15.887 1.00 14.12 C ATOM 318 OD1 ASP A 20 23.019 -9.360 -16.088 1.00 50.23 O ATOM 319 OD2 ASP A 20 22.154 -11.265 -16.733 1.00 0.23 O ATOM 0 H ASP A 20 20.031 -8.237 -12.733 1.00 11.23 H new ATOM 0 HA ASP A 20 20.870 -8.398 -14.757 1.00 35.31 H new ATOM 0 HB2 ASP A 20 22.236 -10.344 -13.746 1.00 41.20 H new ATOM 0 HB3 ASP A 20 21.072 -11.426 -14.486 1.00 41.20 H new ATOM 324 N ASN A 21 18.046 -9.648 -14.910 1.00 25.31 N ATOM 325 CA ASN A 21 16.862 -9.848 -15.757 1.00 70.33 C ATOM 326 C ASN A 21 16.528 -8.573 -16.554 1.00 40.44 C ATOM 327 O ASN A 21 15.512 -7.913 -16.310 1.00 62.32 O ATOM 328 CB ASN A 21 15.656 -10.275 -14.909 1.00 72.55 C ATOM 329 CG ASN A 21 15.933 -11.531 -14.106 1.00 40.24 C ATOM 330 OD1 ASN A 21 16.337 -11.468 -12.950 1.00 3.54 O ATOM 331 ND2 ASN A 21 15.732 -12.680 -14.715 1.00 30.51 N ATOM 0 H ASN A 21 17.839 -9.518 -13.920 1.00 25.31 H new ATOM 0 HA ASN A 21 17.090 -10.643 -16.466 1.00 70.33 H new ATOM 0 HB2 ASN A 21 15.386 -9.465 -14.231 1.00 72.55 H new ATOM 0 HB3 ASN A 21 14.798 -10.444 -15.560 1.00 72.55 H new ATOM 0 HD21 ASN A 21 15.913 -13.556 -14.224 1.00 30.51 H new ATOM 0 HD22 ASN A 21 15.395 -12.695 -15.678 1.00 30.51 H new ATOM 338 N ALA A 22 17.396 -8.236 -17.506 1.00 62.41 N ATOM 339 CA ALA A 22 17.237 -7.029 -18.322 1.00 42.14 C ATOM 340 C ALA A 22 15.986 -7.109 -19.203 1.00 35.22 C ATOM 341 O ALA A 22 15.298 -6.112 -19.414 1.00 61.23 O ATOM 342 CB ALA A 22 18.478 -6.812 -19.180 1.00 40.44 C ATOM 0 H ALA A 22 18.224 -8.786 -17.734 1.00 62.41 H new ATOM 0 HA ALA A 22 17.114 -6.180 -17.649 1.00 42.14 H new ATOM 0 HB1 ALA A 22 18.351 -5.913 -19.783 1.00 40.44 H new ATOM 0 HB2 ALA A 22 19.350 -6.697 -18.536 1.00 40.44 H new ATOM 0 HB3 ALA A 22 18.622 -7.671 -19.835 1.00 40.44 H new ATOM 348 N SER A 23 15.699 -8.307 -19.708 1.00 61.31 N ATOM 349 CA SER A 23 14.508 -8.546 -20.536 1.00 23.22 C ATOM 350 C SER A 23 13.218 -8.185 -19.785 1.00 70.35 C ATOM 351 O SER A 23 12.396 -7.402 -20.272 1.00 65.21 O ATOM 352 CB SER A 23 14.450 -10.017 -20.962 1.00 13.45 C ATOM 353 OG SER A 23 14.352 -10.870 -19.830 1.00 50.43 O ATOM 0 H SER A 23 16.276 -9.135 -19.560 1.00 61.31 H new ATOM 0 HA SER A 23 14.585 -7.907 -21.416 1.00 23.22 H new ATOM 0 HB2 SER A 23 13.594 -10.176 -21.617 1.00 13.45 H new ATOM 0 HB3 SER A 23 15.342 -10.269 -21.536 1.00 13.45 H new ATOM 0 HG SER A 23 14.315 -11.803 -20.126 1.00 50.43 H new ATOM 359 N ARG A 24 13.048 -8.765 -18.597 1.00 31.43 N ATOM 360 CA ARG A 24 11.877 -8.493 -17.750 1.00 1.02 C ATOM 361 C ARG A 24 11.808 -7.011 -17.344 1.00 60.10 C ATOM 362 O ARG A 24 10.728 -6.419 -17.295 1.00 2.05 O ATOM 363 CB ARG A 24 11.906 -9.385 -16.497 1.00 75.33 C ATOM 364 CG ARG A 24 11.901 -10.881 -16.803 1.00 13.53 C ATOM 365 CD ARG A 24 10.681 -11.293 -17.624 1.00 43.14 C ATOM 366 NE ARG A 24 10.647 -12.732 -17.867 1.00 43.42 N ATOM 367 CZ ARG A 24 9.781 -13.331 -18.641 1.00 64.30 C ATOM 368 NH1 ARG A 24 8.898 -12.652 -19.306 1.00 54.22 N ATOM 369 NH2 ARG A 24 9.815 -14.617 -18.765 1.00 11.41 N ATOM 0 H ARG A 24 13.708 -9.430 -18.194 1.00 31.43 H new ATOM 0 HA ARG A 24 10.985 -8.723 -18.332 1.00 1.02 H new ATOM 0 HB2 ARG A 24 12.795 -9.146 -15.913 1.00 75.33 H new ATOM 0 HB3 ARG A 24 11.043 -9.148 -15.874 1.00 75.33 H new ATOM 0 HG2 ARG A 24 12.809 -11.143 -17.346 1.00 13.53 H new ATOM 0 HG3 ARG A 24 11.916 -11.442 -15.869 1.00 13.53 H new ATOM 0 HD2 ARG A 24 9.773 -10.992 -17.101 1.00 43.14 H new ATOM 0 HD3 ARG A 24 10.690 -10.764 -18.577 1.00 43.14 H new ATOM 0 HE ARG A 24 11.347 -13.309 -17.401 1.00 43.42 H new ATOM 0 HH11 ARG A 24 8.873 -11.635 -19.229 1.00 54.22 H new ATOM 0 HH12 ARG A 24 8.229 -13.135 -19.906 1.00 54.22 H new ATOM 0 HH21 ARG A 24 10.516 -15.160 -18.260 1.00 11.41 H new ATOM 0 HH22 ARG A 24 9.141 -15.089 -19.368 1.00 11.41 H new ATOM 383 N ALA A 25 12.966 -6.418 -17.051 1.00 31.54 N ATOM 384 CA ALA A 25 13.043 -4.987 -16.734 1.00 13.00 C ATOM 385 C ALA A 25 12.609 -4.132 -17.934 1.00 63.50 C ATOM 386 O ALA A 25 11.877 -3.151 -17.786 1.00 64.24 O ATOM 387 CB ALA A 25 14.459 -4.619 -16.308 1.00 12.12 C ATOM 0 H ALA A 25 13.863 -6.903 -17.026 1.00 31.54 H new ATOM 0 HA ALA A 25 12.360 -4.784 -15.909 1.00 13.00 H new ATOM 0 HB1 ALA A 25 14.504 -3.555 -16.075 1.00 12.12 H new ATOM 0 HB2 ALA A 25 14.735 -5.196 -15.425 1.00 12.12 H new ATOM 0 HB3 ALA A 25 15.153 -4.843 -17.119 1.00 12.12 H new ATOM 393 N LEU A 26 13.056 -4.531 -19.123 1.00 53.25 N ATOM 394 CA LEU A 26 12.726 -3.831 -20.369 1.00 72.51 C ATOM 395 C LEU A 26 11.210 -3.775 -20.591 1.00 41.35 C ATOM 396 O LEU A 26 10.667 -2.730 -20.939 1.00 42.35 O ATOM 397 CB LEU A 26 13.411 -4.526 -21.556 1.00 0.53 C ATOM 398 CG LEU A 26 13.241 -3.837 -22.921 1.00 15.13 C ATOM 399 CD1 LEU A 26 13.789 -2.413 -22.891 1.00 35.44 C ATOM 400 CD2 LEU A 26 13.926 -4.647 -24.016 1.00 1.42 C ATOM 0 H LEU A 26 13.656 -5.346 -19.253 1.00 53.25 H new ATOM 0 HA LEU A 26 13.091 -2.807 -20.291 1.00 72.51 H new ATOM 0 HB2 LEU A 26 14.476 -4.607 -21.341 1.00 0.53 H new ATOM 0 HB3 LEU A 26 13.023 -5.542 -21.632 1.00 0.53 H new ATOM 0 HG LEU A 26 12.175 -3.784 -23.140 1.00 15.13 H new ATOM 0 HD11 LEU A 26 13.655 -1.951 -23.869 1.00 35.44 H new ATOM 0 HD12 LEU A 26 13.254 -1.833 -22.139 1.00 35.44 H new ATOM 0 HD13 LEU A 26 14.850 -2.437 -22.643 1.00 35.44 H new ATOM 0 HD21 LEU A 26 13.796 -4.145 -24.975 1.00 1.42 H new ATOM 0 HD22 LEU A 26 14.989 -4.734 -23.793 1.00 1.42 H new ATOM 0 HD23 LEU A 26 13.483 -5.642 -24.064 1.00 1.42 H new ATOM 412 N ALA A 27 10.534 -4.903 -20.377 1.00 75.44 N ATOM 413 CA ALA A 27 9.071 -4.969 -20.502 1.00 15.34 C ATOM 414 C ALA A 27 8.378 -3.936 -19.596 1.00 34.15 C ATOM 415 O ALA A 27 7.423 -3.270 -20.007 1.00 73.42 O ATOM 416 CB ALA A 27 8.580 -6.377 -20.175 1.00 71.41 C ATOM 0 H ALA A 27 10.973 -5.786 -20.116 1.00 75.44 H new ATOM 0 HA ALA A 27 8.812 -4.730 -21.533 1.00 15.34 H new ATOM 0 HB1 ALA A 27 7.495 -6.415 -20.271 1.00 71.41 H new ATOM 0 HB2 ALA A 27 9.030 -7.089 -20.866 1.00 71.41 H new ATOM 0 HB3 ALA A 27 8.864 -6.633 -19.154 1.00 71.41 H new ATOM 422 N LEU A 28 8.871 -3.802 -18.365 1.00 33.43 N ATOM 423 CA LEU A 28 8.321 -2.824 -17.416 1.00 75.41 C ATOM 424 C LEU A 28 8.590 -1.375 -17.868 1.00 45.30 C ATOM 425 O LEU A 28 7.677 -0.547 -17.896 1.00 51.33 O ATOM 426 CB LEU A 28 8.895 -3.059 -16.011 1.00 21.32 C ATOM 427 CG LEU A 28 8.543 -4.420 -15.381 1.00 14.11 C ATOM 428 CD1 LEU A 28 9.125 -4.531 -13.975 1.00 14.03 C ATOM 429 CD2 LEU A 28 7.030 -4.633 -15.356 1.00 72.44 C ATOM 0 H LEU A 28 9.647 -4.354 -17.999 1.00 33.43 H new ATOM 0 HA LEU A 28 7.241 -2.966 -17.388 1.00 75.41 H new ATOM 0 HB2 LEU A 28 9.980 -2.968 -16.059 1.00 21.32 H new ATOM 0 HB3 LEU A 28 8.537 -2.268 -15.352 1.00 21.32 H new ATOM 0 HG LEU A 28 8.986 -5.202 -15.997 1.00 14.11 H new ATOM 0 HD11 LEU A 28 8.864 -5.500 -13.549 1.00 14.03 H new ATOM 0 HD12 LEU A 28 10.210 -4.435 -14.022 1.00 14.03 H new ATOM 0 HD13 LEU A 28 8.717 -3.738 -13.349 1.00 14.03 H new ATOM 0 HD21 LEU A 28 6.806 -5.601 -14.907 1.00 72.44 H new ATOM 0 HD22 LEU A 28 6.561 -3.843 -14.769 1.00 72.44 H new ATOM 0 HD23 LEU A 28 6.642 -4.607 -16.374 1.00 72.44 H new ATOM 441 N PHE A 29 9.842 -1.070 -18.223 1.00 21.45 N ATOM 442 CA PHE A 29 10.196 0.268 -18.720 1.00 72.23 C ATOM 443 C PHE A 29 9.390 0.632 -19.979 1.00 73.44 C ATOM 444 O PHE A 29 8.803 1.710 -20.060 1.00 22.24 O ATOM 445 CB PHE A 29 11.702 0.368 -19.017 1.00 73.21 C ATOM 446 CG PHE A 29 12.576 0.440 -17.786 1.00 74.23 C ATOM 447 CD1 PHE A 29 12.485 1.522 -16.920 1.00 63.31 C ATOM 448 CD2 PHE A 29 13.491 -0.566 -17.499 1.00 43.11 C ATOM 449 CE1 PHE A 29 13.287 1.600 -15.797 1.00 22.10 C ATOM 450 CE2 PHE A 29 14.296 -0.491 -16.378 1.00 71.50 C ATOM 451 CZ PHE A 29 14.193 0.592 -15.526 1.00 50.02 C ATOM 0 H PHE A 29 10.623 -1.724 -18.177 1.00 21.45 H new ATOM 0 HA PHE A 29 9.945 0.979 -17.933 1.00 72.23 H new ATOM 0 HB2 PHE A 29 12.001 -0.496 -19.611 1.00 73.21 H new ATOM 0 HB3 PHE A 29 11.882 1.253 -19.628 1.00 73.21 H new ATOM 0 HD1 PHE A 29 11.779 2.312 -17.127 1.00 63.31 H new ATOM 0 HD2 PHE A 29 13.574 -1.416 -18.160 1.00 43.11 H new ATOM 0 HE1 PHE A 29 13.206 2.447 -15.132 1.00 22.10 H new ATOM 0 HE2 PHE A 29 15.005 -1.278 -16.168 1.00 71.50 H new ATOM 0 HZ PHE A 29 14.820 0.651 -14.649 1.00 50.02 H new ATOM 461 N GLU A 30 9.357 -0.274 -20.955 1.00 54.53 N ATOM 462 CA GLU A 30 8.592 -0.050 -22.187 1.00 21.53 C ATOM 463 C GLU A 30 7.099 0.162 -21.888 1.00 71.32 C ATOM 464 O GLU A 30 6.436 0.968 -22.544 1.00 3.01 O ATOM 465 CB GLU A 30 8.776 -1.217 -23.170 1.00 31.24 C ATOM 466 CG GLU A 30 10.192 -1.340 -23.730 1.00 4.54 C ATOM 467 CD GLU A 30 10.304 -2.392 -24.826 1.00 72.32 C ATOM 468 OE1 GLU A 30 10.239 -3.599 -24.512 1.00 64.23 O ATOM 469 OE2 GLU A 30 10.451 -2.015 -26.011 1.00 41.05 O ATOM 0 H GLU A 30 9.848 -1.167 -20.920 1.00 54.53 H new ATOM 0 HA GLU A 30 8.979 0.858 -22.650 1.00 21.53 H new ATOM 0 HB2 GLU A 30 8.513 -2.147 -22.667 1.00 31.24 H new ATOM 0 HB3 GLU A 30 8.078 -1.094 -23.998 1.00 31.24 H new ATOM 0 HG2 GLU A 30 10.506 -0.374 -24.126 1.00 4.54 H new ATOM 0 HG3 GLU A 30 10.877 -1.591 -22.920 1.00 4.54 H new ATOM 476 N GLU A 31 6.572 -0.555 -20.893 1.00 63.43 N ATOM 477 CA GLU A 31 5.180 -0.363 -20.471 1.00 71.23 C ATOM 478 C GLU A 31 4.987 1.020 -19.832 1.00 0.01 C ATOM 479 O GLU A 31 3.966 1.670 -20.036 1.00 62.34 O ATOM 480 CB GLU A 31 4.738 -1.470 -19.502 1.00 5.20 C ATOM 481 CG GLU A 31 3.256 -1.407 -19.138 1.00 4.13 C ATOM 482 CD GLU A 31 2.784 -2.631 -18.367 1.00 64.01 C ATOM 483 OE1 GLU A 31 2.580 -3.691 -18.998 1.00 31.22 O ATOM 484 OE2 GLU A 31 2.624 -2.542 -17.132 1.00 14.21 O ATOM 0 H GLU A 31 7.080 -1.267 -20.368 1.00 63.43 H new ATOM 0 HA GLU A 31 4.553 -0.421 -21.361 1.00 71.23 H new ATOM 0 HB2 GLU A 31 4.953 -2.440 -19.950 1.00 5.20 H new ATOM 0 HB3 GLU A 31 5.331 -1.401 -18.590 1.00 5.20 H new ATOM 0 HG2 GLU A 31 3.071 -0.514 -18.541 1.00 4.13 H new ATOM 0 HG3 GLU A 31 2.667 -1.308 -20.050 1.00 4.13 H new ATOM 491 N LEU A 32 5.982 1.469 -19.069 1.00 13.22 N ATOM 492 CA LEU A 32 5.974 2.827 -18.508 1.00 34.44 C ATOM 493 C LEU A 32 5.897 3.888 -19.619 1.00 33.50 C ATOM 494 O LEU A 32 5.247 4.917 -19.461 1.00 31.32 O ATOM 495 CB LEU A 32 7.228 3.056 -17.647 1.00 0.32 C ATOM 496 CG LEU A 32 7.265 2.292 -16.312 1.00 31.22 C ATOM 497 CD1 LEU A 32 8.650 2.381 -15.670 1.00 23.04 C ATOM 498 CD2 LEU A 32 6.199 2.833 -15.363 1.00 4.22 C ATOM 0 H LEU A 32 6.804 0.917 -18.823 1.00 13.22 H new ATOM 0 HA LEU A 32 5.087 2.925 -17.882 1.00 34.44 H new ATOM 0 HB2 LEU A 32 8.104 2.774 -18.231 1.00 0.32 H new ATOM 0 HB3 LEU A 32 7.314 4.122 -17.438 1.00 0.32 H new ATOM 0 HG LEU A 32 7.053 1.242 -16.513 1.00 31.22 H new ATOM 0 HD11 LEU A 32 8.650 1.833 -14.728 1.00 23.04 H new ATOM 0 HD12 LEU A 32 9.391 1.948 -16.342 1.00 23.04 H new ATOM 0 HD13 LEU A 32 8.898 3.426 -15.482 1.00 23.04 H new ATOM 0 HD21 LEU A 32 6.236 2.283 -14.422 1.00 4.22 H new ATOM 0 HD22 LEU A 32 6.384 3.890 -15.173 1.00 4.22 H new ATOM 0 HD23 LEU A 32 5.214 2.712 -15.815 1.00 4.22 H new ATOM 510 N VAL A 33 6.560 3.622 -20.745 1.00 13.32 N ATOM 511 CA VAL A 33 6.557 4.545 -21.890 1.00 34.10 C ATOM 512 C VAL A 33 5.174 4.625 -22.564 1.00 42.31 C ATOM 513 O VAL A 33 4.762 5.689 -23.033 1.00 64.35 O ATOM 514 CB VAL A 33 7.615 4.134 -22.948 1.00 52.20 C ATOM 515 CG1 VAL A 33 7.623 5.105 -24.129 1.00 32.11 C ATOM 516 CG2 VAL A 33 9.000 4.044 -22.314 1.00 12.41 C ATOM 0 H VAL A 33 7.108 2.774 -20.893 1.00 13.32 H new ATOM 0 HA VAL A 33 6.807 5.528 -21.491 1.00 34.10 H new ATOM 0 HB VAL A 33 7.344 3.149 -23.329 1.00 52.20 H new ATOM 0 HG11 VAL A 33 8.374 4.791 -24.853 1.00 32.11 H new ATOM 0 HG12 VAL A 33 6.641 5.109 -24.603 1.00 32.11 H new ATOM 0 HG13 VAL A 33 7.859 6.108 -23.774 1.00 32.11 H new ATOM 0 HG21 VAL A 33 9.729 3.755 -23.071 1.00 12.41 H new ATOM 0 HG22 VAL A 33 9.274 5.014 -21.899 1.00 12.41 H new ATOM 0 HG23 VAL A 33 8.988 3.299 -21.518 1.00 12.41 H new ATOM 526 N GLU A 34 4.460 3.499 -22.626 1.00 5.02 N ATOM 527 CA GLU A 34 3.134 3.468 -23.261 1.00 61.31 C ATOM 528 C GLU A 34 2.034 3.974 -22.306 1.00 52.33 C ATOM 529 O GLU A 34 1.018 4.511 -22.746 1.00 63.12 O ATOM 530 CB GLU A 34 2.805 2.050 -23.764 1.00 55.21 C ATOM 531 CG GLU A 34 2.575 1.024 -22.657 1.00 22.41 C ATOM 532 CD GLU A 34 2.342 -0.386 -23.184 1.00 22.33 C ATOM 533 OE1 GLU A 34 1.317 -0.615 -23.857 1.00 61.31 O ATOM 534 OE2 GLU A 34 3.182 -1.275 -22.931 1.00 12.23 O ATOM 0 H GLU A 34 4.771 2.603 -22.249 1.00 5.02 H new ATOM 0 HA GLU A 34 3.164 4.143 -24.116 1.00 61.31 H new ATOM 0 HB2 GLU A 34 1.913 2.098 -24.389 1.00 55.21 H new ATOM 0 HB3 GLU A 34 3.621 1.705 -24.399 1.00 55.21 H new ATOM 0 HG2 GLU A 34 3.438 1.018 -21.991 1.00 22.41 H new ATOM 0 HG3 GLU A 34 1.715 1.329 -22.061 1.00 22.41 H new ATOM 541 N THR A 35 2.243 3.803 -20.998 1.00 24.13 N ATOM 542 CA THR A 35 1.275 4.267 -19.988 1.00 55.12 C ATOM 543 C THR A 35 1.521 5.731 -19.593 1.00 63.13 C ATOM 544 O THR A 35 0.619 6.569 -19.676 1.00 10.12 O ATOM 545 CB THR A 35 1.317 3.402 -18.701 1.00 3.14 C ATOM 546 OG1 THR A 35 2.620 3.473 -18.096 1.00 51.32 O ATOM 547 CG2 THR A 35 0.971 1.945 -19.001 1.00 22.21 C ATOM 0 H THR A 35 3.070 3.349 -20.610 1.00 24.13 H new ATOM 0 HA THR A 35 0.294 4.173 -20.455 1.00 55.12 H new ATOM 0 HB THR A 35 0.573 3.798 -18.010 1.00 3.14 H new ATOM 0 HG1 THR A 35 2.624 4.173 -17.410 1.00 51.32 H new ATOM 0 HG21 THR A 35 1.009 1.365 -18.079 1.00 22.21 H new ATOM 0 HG22 THR A 35 -0.032 1.889 -19.424 1.00 22.21 H new ATOM 0 HG23 THR A 35 1.689 1.540 -19.714 1.00 22.21 H new ATOM 555 N ASP A 36 2.742 6.032 -19.151 1.00 53.12 N ATOM 556 CA ASP A 36 3.103 7.382 -18.697 1.00 61.21 C ATOM 557 C ASP A 36 4.242 7.985 -19.545 1.00 1.03 C ATOM 558 O ASP A 36 5.422 7.843 -19.215 1.00 31.52 O ATOM 559 CB ASP A 36 3.514 7.342 -17.221 1.00 15.42 C ATOM 560 CG ASP A 36 2.382 6.886 -16.320 1.00 41.34 C ATOM 561 OD1 ASP A 36 2.231 5.662 -16.109 1.00 0.23 O ATOM 562 OD2 ASP A 36 1.632 7.750 -15.821 1.00 50.31 O ATOM 0 H ASP A 36 3.505 5.357 -19.096 1.00 53.12 H new ATOM 0 HA ASP A 36 2.227 8.020 -18.817 1.00 61.21 H new ATOM 0 HB2 ASP A 36 4.364 6.670 -17.101 1.00 15.42 H new ATOM 0 HB3 ASP A 36 3.845 8.333 -16.911 1.00 15.42 H new ATOM 567 N PRO A 37 3.903 8.683 -20.649 1.00 32.51 N ATOM 568 CA PRO A 37 4.909 9.270 -21.555 1.00 40.23 C ATOM 569 C PRO A 37 5.655 10.469 -20.938 1.00 64.55 C ATOM 570 O PRO A 37 6.685 10.906 -21.458 1.00 53.21 O ATOM 571 CB PRO A 37 4.071 9.715 -22.763 1.00 22.02 C ATOM 572 CG PRO A 37 2.715 9.976 -22.200 1.00 24.23 C ATOM 573 CD PRO A 37 2.525 8.958 -21.104 1.00 54.24 C ATOM 0 HA PRO A 37 5.698 8.558 -21.797 1.00 40.23 H new ATOM 0 HB2 PRO A 37 4.487 10.609 -23.227 1.00 22.02 H new ATOM 0 HB3 PRO A 37 4.040 8.942 -23.531 1.00 22.02 H new ATOM 0 HG2 PRO A 37 2.642 10.991 -21.809 1.00 24.23 H new ATOM 0 HG3 PRO A 37 1.947 9.874 -22.966 1.00 24.23 H new ATOM 0 HD2 PRO A 37 1.906 9.348 -20.296 1.00 54.24 H new ATOM 0 HD3 PRO A 37 2.036 8.056 -21.473 1.00 54.24 H new ATOM 581 N ASP A 38 5.131 10.992 -19.830 1.00 43.00 N ATOM 582 CA ASP A 38 5.721 12.155 -19.156 1.00 22.11 C ATOM 583 C ASP A 38 6.718 11.747 -18.053 1.00 11.44 C ATOM 584 O ASP A 38 7.434 12.592 -17.509 1.00 72.00 O ATOM 585 CB ASP A 38 4.603 13.011 -18.555 1.00 55.42 C ATOM 586 CG ASP A 38 3.817 12.261 -17.494 1.00 40.03 C ATOM 587 OD1 ASP A 38 2.986 11.404 -17.861 1.00 72.13 O ATOM 588 OD2 ASP A 38 4.036 12.516 -16.290 1.00 53.40 O ATOM 0 H ASP A 38 4.294 10.628 -19.375 1.00 43.00 H new ATOM 0 HA ASP A 38 6.277 12.725 -19.900 1.00 22.11 H new ATOM 0 HB2 ASP A 38 5.032 13.912 -18.118 1.00 55.42 H new ATOM 0 HB3 ASP A 38 3.927 13.332 -19.347 1.00 55.42 H new ATOM 593 N TYR A 39 6.751 10.458 -17.717 1.00 3.42 N ATOM 594 CA TYR A 39 7.618 9.957 -16.644 1.00 4.31 C ATOM 595 C TYR A 39 9.077 9.851 -17.129 1.00 63.54 C ATOM 596 O TYR A 39 9.505 8.817 -17.650 1.00 51.13 O ATOM 597 CB TYR A 39 7.097 8.594 -16.150 1.00 1.04 C ATOM 598 CG TYR A 39 7.623 8.166 -14.788 1.00 43.13 C ATOM 599 CD1 TYR A 39 7.216 8.821 -13.629 1.00 64.13 C ATOM 600 CD2 TYR A 39 8.502 7.096 -14.658 1.00 32.23 C ATOM 601 CE1 TYR A 39 7.672 8.424 -12.386 1.00 74.24 C ATOM 602 CE2 TYR A 39 8.964 6.695 -13.419 1.00 0.33 C ATOM 603 CZ TYR A 39 8.546 7.360 -12.287 1.00 54.22 C ATOM 604 OH TYR A 39 9.000 6.957 -11.050 1.00 55.35 O ATOM 0 H TYR A 39 6.188 9.739 -18.171 1.00 3.42 H new ATOM 0 HA TYR A 39 7.598 10.660 -15.811 1.00 4.31 H new ATOM 0 HB2 TYR A 39 6.008 8.630 -16.109 1.00 1.04 H new ATOM 0 HB3 TYR A 39 7.363 7.832 -16.883 1.00 1.04 H new ATOM 0 HD1 TYR A 39 6.532 9.654 -13.702 1.00 64.13 H new ATOM 0 HD2 TYR A 39 8.830 6.569 -15.542 1.00 32.23 H new ATOM 0 HE1 TYR A 39 7.346 8.943 -11.497 1.00 74.24 H new ATOM 0 HE2 TYR A 39 9.649 5.864 -13.338 1.00 0.33 H new ATOM 0 HH TYR A 39 9.606 6.195 -11.157 1.00 55.35 H new ATOM 614 N VAL A 40 9.830 10.940 -16.960 1.00 4.11 N ATOM 615 CA VAL A 40 11.207 11.039 -17.467 1.00 41.42 C ATOM 616 C VAL A 40 12.124 9.945 -16.891 1.00 65.12 C ATOM 617 O VAL A 40 12.990 9.417 -17.596 1.00 65.21 O ATOM 618 CB VAL A 40 11.814 12.433 -17.157 1.00 1.31 C ATOM 619 CG1 VAL A 40 13.222 12.566 -17.738 1.00 63.31 C ATOM 620 CG2 VAL A 40 10.908 13.544 -17.681 1.00 41.12 C ATOM 0 H VAL A 40 9.508 11.775 -16.471 1.00 4.11 H new ATOM 0 HA VAL A 40 11.148 10.898 -18.546 1.00 41.42 H new ATOM 0 HB VAL A 40 11.889 12.531 -16.074 1.00 1.31 H new ATOM 0 HG11 VAL A 40 13.620 13.553 -17.504 1.00 63.31 H new ATOM 0 HG12 VAL A 40 13.868 11.802 -17.305 1.00 63.31 H new ATOM 0 HG13 VAL A 40 13.183 12.437 -18.820 1.00 63.31 H new ATOM 0 HG21 VAL A 40 11.352 14.513 -17.453 1.00 41.12 H new ATOM 0 HG22 VAL A 40 10.794 13.442 -18.760 1.00 41.12 H new ATOM 0 HG23 VAL A 40 9.930 13.472 -17.204 1.00 41.12 H new ATOM 630 N GLY A 41 11.917 9.602 -15.616 1.00 44.43 N ATOM 631 CA GLY A 41 12.718 8.562 -14.965 1.00 25.21 C ATOM 632 C GLY A 41 12.795 7.265 -15.769 1.00 31.34 C ATOM 633 O GLY A 41 13.813 6.564 -15.745 1.00 55.32 O ATOM 0 H GLY A 41 11.207 10.026 -15.018 1.00 44.43 H new ATOM 0 HA2 GLY A 41 13.727 8.940 -14.801 1.00 25.21 H new ATOM 0 HA3 GLY A 41 12.294 8.348 -13.984 1.00 25.21 H new ATOM 637 N THR A 42 11.719 6.950 -16.491 1.00 13.03 N ATOM 638 CA THR A 42 11.690 5.775 -17.369 1.00 71.21 C ATOM 639 C THR A 42 12.713 5.902 -18.500 1.00 70.14 C ATOM 640 O THR A 42 13.568 5.039 -18.670 1.00 55.31 O ATOM 641 CB THR A 42 10.294 5.560 -18.002 1.00 73.13 C ATOM 642 OG1 THR A 42 9.313 5.354 -16.979 1.00 53.24 O ATOM 643 CG2 THR A 42 10.299 4.366 -18.954 1.00 4.32 C ATOM 0 H THR A 42 10.854 7.491 -16.486 1.00 13.03 H new ATOM 0 HA THR A 42 11.935 4.920 -16.739 1.00 71.21 H new ATOM 0 HB THR A 42 10.043 6.455 -18.571 1.00 73.13 H new ATOM 0 HG1 THR A 42 8.510 5.877 -17.185 1.00 53.24 H new ATOM 0 HG21 THR A 42 9.305 4.239 -19.384 1.00 4.32 H new ATOM 0 HG22 THR A 42 11.020 4.540 -19.753 1.00 4.32 H new ATOM 0 HG23 THR A 42 10.575 3.465 -18.406 1.00 4.32 H new ATOM 651 N TYR A 43 12.627 6.996 -19.260 1.00 62.45 N ATOM 652 CA TYR A 43 13.496 7.214 -20.427 1.00 65.20 C ATOM 653 C TYR A 43 14.983 7.204 -20.045 1.00 21.23 C ATOM 654 O TYR A 43 15.810 6.616 -20.746 1.00 2.21 O ATOM 655 CB TYR A 43 13.146 8.543 -21.103 1.00 62.44 C ATOM 656 CG TYR A 43 11.720 8.607 -21.617 1.00 62.20 C ATOM 657 CD1 TYR A 43 11.394 8.120 -22.879 1.00 31.13 C ATOM 658 CD2 TYR A 43 10.701 9.153 -20.843 1.00 52.31 C ATOM 659 CE1 TYR A 43 10.099 8.177 -23.353 1.00 44.51 C ATOM 660 CE2 TYR A 43 9.404 9.211 -21.312 1.00 21.52 C ATOM 661 CZ TYR A 43 9.109 8.723 -22.567 1.00 32.14 C ATOM 662 OH TYR A 43 7.819 8.785 -23.039 1.00 64.11 O ATOM 0 H TYR A 43 11.962 7.750 -19.090 1.00 62.45 H new ATOM 0 HA TYR A 43 13.324 6.391 -21.120 1.00 65.20 H new ATOM 0 HB2 TYR A 43 13.304 9.355 -20.393 1.00 62.44 H new ATOM 0 HB3 TYR A 43 13.831 8.709 -21.935 1.00 62.44 H new ATOM 0 HD1 TYR A 43 12.167 7.690 -23.498 1.00 31.13 H new ATOM 0 HD2 TYR A 43 10.928 9.538 -19.860 1.00 52.31 H new ATOM 0 HE1 TYR A 43 9.863 7.795 -24.335 1.00 44.51 H new ATOM 0 HE2 TYR A 43 8.624 9.637 -20.698 1.00 21.52 H new ATOM 0 HH TYR A 43 7.370 9.571 -22.663 1.00 64.11 H new ATOM 672 N TYR A 44 15.310 7.859 -18.934 1.00 13.10 N ATOM 673 CA TYR A 44 16.694 7.937 -18.456 1.00 52.41 C ATOM 674 C TYR A 44 17.298 6.537 -18.221 1.00 3.33 C ATOM 675 O TYR A 44 18.378 6.225 -18.721 1.00 13.44 O ATOM 676 CB TYR A 44 16.754 8.772 -17.167 1.00 21.44 C ATOM 677 CG TYR A 44 18.151 8.918 -16.588 1.00 72.43 C ATOM 678 CD1 TYR A 44 19.132 9.648 -17.253 1.00 31.44 C ATOM 679 CD2 TYR A 44 18.488 8.320 -15.378 1.00 33.10 C ATOM 680 CE1 TYR A 44 20.404 9.776 -16.730 1.00 52.10 C ATOM 681 CE2 TYR A 44 19.757 8.443 -14.852 1.00 44.12 C ATOM 682 CZ TYR A 44 20.710 9.170 -15.529 1.00 34.42 C ATOM 683 OH TYR A 44 21.978 9.282 -15.005 1.00 43.03 O ATOM 0 H TYR A 44 14.635 8.346 -18.344 1.00 13.10 H new ATOM 0 HA TYR A 44 17.290 8.422 -19.229 1.00 52.41 H new ATOM 0 HB2 TYR A 44 16.351 9.764 -17.370 1.00 21.44 H new ATOM 0 HB3 TYR A 44 16.108 8.313 -16.419 1.00 21.44 H new ATOM 0 HD1 TYR A 44 18.895 10.122 -18.194 1.00 31.44 H new ATOM 0 HD2 TYR A 44 17.744 7.750 -14.842 1.00 33.10 H new ATOM 0 HE1 TYR A 44 21.154 10.347 -17.258 1.00 52.10 H new ATOM 0 HE2 TYR A 44 20.002 7.971 -13.912 1.00 44.12 H new ATOM 0 HH TYR A 44 22.024 8.798 -14.154 1.00 43.03 H new ATOM 693 N HIS A 45 16.599 5.698 -17.454 1.00 2.53 N ATOM 694 CA HIS A 45 17.068 4.331 -17.179 1.00 41.03 C ATOM 695 C HIS A 45 16.869 3.391 -18.382 1.00 41.55 C ATOM 696 O HIS A 45 17.649 2.460 -18.585 1.00 44.53 O ATOM 697 CB HIS A 45 16.363 3.767 -15.940 1.00 50.31 C ATOM 698 CG HIS A 45 16.795 4.422 -14.663 1.00 30.11 C ATOM 699 ND1 HIS A 45 17.696 3.845 -13.791 1.00 34.25 N ATOM 700 CD2 HIS A 45 16.462 5.615 -14.117 1.00 74.33 C ATOM 701 CE1 HIS A 45 17.895 4.652 -12.770 1.00 25.45 C ATOM 702 NE2 HIS A 45 17.163 5.729 -12.945 1.00 12.41 N ATOM 0 H HIS A 45 15.711 5.936 -17.013 1.00 2.53 H new ATOM 0 HA HIS A 45 18.140 4.389 -16.990 1.00 41.03 H new ATOM 0 HB2 HIS A 45 15.286 3.888 -16.056 1.00 50.31 H new ATOM 0 HB3 HIS A 45 16.558 2.697 -15.875 1.00 50.31 H new ATOM 0 HD2 HIS A 45 15.774 6.340 -14.527 1.00 74.33 H new ATOM 0 HE1 HIS A 45 18.548 4.461 -11.932 1.00 25.45 H new ATOM 0 HE2 HIS A 45 17.123 6.525 -12.308 1.00 12.41 H new ATOM 711 N LEU A 46 15.829 3.639 -19.176 1.00 73.50 N ATOM 712 CA LEU A 46 15.531 2.806 -20.349 1.00 53.14 C ATOM 713 C LEU A 46 16.655 2.890 -21.393 1.00 14.43 C ATOM 714 O LEU A 46 17.051 1.879 -21.977 1.00 4.50 O ATOM 715 CB LEU A 46 14.189 3.220 -20.972 1.00 54.32 C ATOM 716 CG LEU A 46 13.750 2.408 -22.203 1.00 51.03 C ATOM 717 CD1 LEU A 46 13.719 0.914 -21.891 1.00 50.33 C ATOM 718 CD2 LEU A 46 12.385 2.879 -22.705 1.00 24.42 C ATOM 0 H LEU A 46 15.176 4.409 -19.032 1.00 73.50 H new ATOM 0 HA LEU A 46 15.460 1.771 -20.016 1.00 53.14 H new ATOM 0 HB2 LEU A 46 13.414 3.138 -20.210 1.00 54.32 H new ATOM 0 HB3 LEU A 46 14.249 4.271 -21.254 1.00 54.32 H new ATOM 0 HG LEU A 46 14.483 2.575 -22.992 1.00 51.03 H new ATOM 0 HD11 LEU A 46 13.406 0.363 -22.778 1.00 50.33 H new ATOM 0 HD12 LEU A 46 14.714 0.584 -21.592 1.00 50.33 H new ATOM 0 HD13 LEU A 46 13.015 0.726 -21.080 1.00 50.33 H new ATOM 0 HD21 LEU A 46 12.095 2.291 -23.576 1.00 24.42 H new ATOM 0 HD22 LEU A 46 11.643 2.750 -21.917 1.00 24.42 H new ATOM 0 HD23 LEU A 46 12.442 3.932 -22.981 1.00 24.42 H new ATOM 730 N GLY A 47 17.165 4.098 -21.621 1.00 64.34 N ATOM 731 CA GLY A 47 18.306 4.269 -22.512 1.00 21.11 C ATOM 732 C GLY A 47 19.539 3.510 -22.031 1.00 54.43 C ATOM 733 O GLY A 47 20.208 2.834 -22.814 1.00 23.21 O ATOM 0 H GLY A 47 16.811 4.961 -21.207 1.00 64.34 H new ATOM 0 HA2 GLY A 47 18.038 3.925 -23.511 1.00 21.11 H new ATOM 0 HA3 GLY A 47 18.544 5.330 -22.593 1.00 21.11 H new ATOM 737 N LYS A 48 19.830 3.617 -20.732 1.00 2.41 N ATOM 738 CA LYS A 48 20.927 2.864 -20.109 1.00 10.10 C ATOM 739 C LYS A 48 20.743 1.354 -20.323 1.00 53.51 C ATOM 740 O LYS A 48 21.711 0.616 -20.543 1.00 21.44 O ATOM 741 CB LYS A 48 20.988 3.156 -18.603 1.00 21.14 C ATOM 742 CG LYS A 48 21.122 4.634 -18.252 1.00 62.34 C ATOM 743 CD LYS A 48 22.426 5.236 -18.767 1.00 21.44 C ATOM 744 CE LYS A 48 22.600 6.679 -18.309 1.00 21.33 C ATOM 745 NZ LYS A 48 22.665 6.792 -16.825 1.00 52.31 N ATOM 0 H LYS A 48 19.320 4.220 -20.087 1.00 2.41 H new ATOM 0 HA LYS A 48 21.858 3.180 -20.579 1.00 10.10 H new ATOM 0 HB2 LYS A 48 20.086 2.764 -18.133 1.00 21.14 H new ATOM 0 HB3 LYS A 48 21.832 2.615 -18.174 1.00 21.14 H new ATOM 0 HG2 LYS A 48 20.280 5.183 -18.673 1.00 62.34 H new ATOM 0 HG3 LYS A 48 21.071 4.754 -17.170 1.00 62.34 H new ATOM 0 HD2 LYS A 48 23.267 4.638 -18.415 1.00 21.44 H new ATOM 0 HD3 LYS A 48 22.440 5.196 -19.856 1.00 21.44 H new ATOM 0 HE2 LYS A 48 23.511 7.089 -18.744 1.00 21.33 H new ATOM 0 HE3 LYS A 48 21.770 7.280 -18.682 1.00 21.33 H new ATOM 0 HZ1 LYS A 48 21.859 7.354 -16.484 1.00 52.31 H new ATOM 0 HZ2 LYS A 48 22.628 5.842 -16.403 1.00 52.31 H new ATOM 0 HZ3 LYS A 48 23.553 7.258 -16.551 1.00 52.31 H new ATOM 759 N LEU A 49 19.494 0.905 -20.246 1.00 41.21 N ATOM 760 CA LEU A 49 19.151 -0.495 -20.494 1.00 55.22 C ATOM 761 C LEU A 49 19.416 -0.881 -21.957 1.00 43.34 C ATOM 762 O LEU A 49 19.939 -1.961 -22.237 1.00 50.21 O ATOM 763 CB LEU A 49 17.682 -0.746 -20.126 1.00 62.40 C ATOM 764 CG LEU A 49 17.175 -2.185 -20.328 1.00 42.20 C ATOM 765 CD1 LEU A 49 18.122 -3.195 -19.683 1.00 44.15 C ATOM 766 CD2 LEU A 49 15.771 -2.333 -19.752 1.00 51.23 C ATOM 0 H LEU A 49 18.695 1.495 -20.012 1.00 41.21 H new ATOM 0 HA LEU A 49 19.786 -1.121 -19.867 1.00 55.22 H new ATOM 0 HB2 LEU A 49 17.538 -0.474 -19.080 1.00 62.40 H new ATOM 0 HB3 LEU A 49 17.059 -0.075 -20.718 1.00 62.40 H new ATOM 0 HG LEU A 49 17.142 -2.388 -21.398 1.00 42.20 H new ATOM 0 HD11 LEU A 49 17.740 -4.204 -19.840 1.00 44.15 H new ATOM 0 HD12 LEU A 49 19.110 -3.107 -20.134 1.00 44.15 H new ATOM 0 HD13 LEU A 49 18.192 -2.996 -18.614 1.00 44.15 H new ATOM 0 HD21 LEU A 49 15.423 -3.355 -19.901 1.00 51.23 H new ATOM 0 HD22 LEU A 49 15.790 -2.107 -18.686 1.00 51.23 H new ATOM 0 HD23 LEU A 49 15.096 -1.642 -20.257 1.00 51.23 H new ATOM 778 N TYR A 50 19.064 0.003 -22.889 1.00 32.45 N ATOM 779 CA TYR A 50 19.388 -0.216 -24.302 1.00 71.35 C ATOM 780 C TYR A 50 20.910 -0.257 -24.515 1.00 53.33 C ATOM 781 O TYR A 50 21.407 -1.059 -25.303 1.00 24.31 O ATOM 782 CB TYR A 50 18.738 0.852 -25.195 1.00 2.23 C ATOM 783 CG TYR A 50 17.243 0.655 -25.390 1.00 60.00 C ATOM 784 CD1 TYR A 50 16.734 -0.579 -25.788 1.00 61.33 C ATOM 785 CD2 TYR A 50 16.341 1.693 -25.176 1.00 71.51 C ATOM 786 CE1 TYR A 50 15.377 -0.770 -25.966 1.00 55.45 C ATOM 787 CE2 TYR A 50 14.982 1.505 -25.352 1.00 73.43 C ATOM 788 CZ TYR A 50 14.507 0.273 -25.747 1.00 25.35 C ATOM 789 OH TYR A 50 13.154 0.081 -25.920 1.00 24.23 O ATOM 0 H TYR A 50 18.560 0.869 -22.697 1.00 32.45 H new ATOM 0 HA TYR A 50 18.979 -1.184 -24.591 1.00 71.35 H new ATOM 0 HB2 TYR A 50 18.912 1.835 -24.757 1.00 2.23 H new ATOM 0 HB3 TYR A 50 19.227 0.846 -26.169 1.00 2.23 H new ATOM 0 HD1 TYR A 50 17.412 -1.402 -25.961 1.00 61.33 H new ATOM 0 HD2 TYR A 50 16.708 2.661 -24.868 1.00 71.51 H new ATOM 0 HE1 TYR A 50 15.001 -1.734 -26.276 1.00 55.45 H new ATOM 0 HE2 TYR A 50 14.295 2.321 -25.180 1.00 73.43 H new ATOM 0 HH TYR A 50 12.678 0.915 -25.724 1.00 24.23 H new ATOM 799 N GLU A 51 21.647 0.596 -23.799 1.00 22.33 N ATOM 800 CA GLU A 51 23.116 0.522 -23.785 1.00 2.43 C ATOM 801 C GLU A 51 23.582 -0.868 -23.306 1.00 43.43 C ATOM 802 O GLU A 51 24.494 -1.471 -23.880 1.00 20.34 O ATOM 803 CB GLU A 51 23.711 1.605 -22.869 1.00 23.32 C ATOM 804 CG GLU A 51 23.459 3.043 -23.322 1.00 3.24 C ATOM 805 CD GLU A 51 24.092 4.067 -22.384 1.00 31.43 C ATOM 806 OE1 GLU A 51 25.299 3.935 -22.080 1.00 23.24 O ATOM 807 OE2 GLU A 51 23.398 5.010 -21.947 1.00 0.43 O ATOM 0 H GLU A 51 21.257 1.343 -23.224 1.00 22.33 H new ATOM 0 HA GLU A 51 23.468 0.689 -24.803 1.00 2.43 H new ATOM 0 HB2 GLU A 51 23.300 1.478 -21.867 1.00 23.32 H new ATOM 0 HB3 GLU A 51 24.787 1.446 -22.795 1.00 23.32 H new ATOM 0 HG2 GLU A 51 23.858 3.180 -24.327 1.00 3.24 H new ATOM 0 HG3 GLU A 51 22.385 3.221 -23.378 1.00 3.24 H new ATOM 814 N ARG A 52 22.930 -1.369 -22.254 1.00 72.21 N ATOM 815 CA ARG A 52 23.210 -2.705 -21.702 1.00 54.34 C ATOM 816 C ARG A 52 22.868 -3.808 -22.720 1.00 12.24 C ATOM 817 O ARG A 52 23.467 -4.885 -22.722 1.00 5.11 O ATOM 818 CB ARG A 52 22.399 -2.896 -20.407 1.00 44.55 C ATOM 819 CG ARG A 52 22.655 -4.213 -19.671 1.00 4.21 C ATOM 820 CD ARG A 52 21.882 -4.270 -18.350 1.00 65.44 C ATOM 821 NE ARG A 52 22.132 -5.502 -17.597 1.00 4.24 N ATOM 822 CZ ARG A 52 22.176 -5.563 -16.288 1.00 12.13 C ATOM 823 NH1 ARG A 52 22.046 -4.492 -15.567 1.00 64.32 N ATOM 824 NH2 ARG A 52 22.365 -6.698 -15.701 1.00 5.42 N ATOM 0 H ARG A 52 22.194 -0.865 -21.759 1.00 72.21 H new ATOM 0 HA ARG A 52 24.275 -2.781 -21.481 1.00 54.34 H new ATOM 0 HB2 ARG A 52 22.622 -2.070 -19.731 1.00 44.55 H new ATOM 0 HB3 ARG A 52 21.338 -2.832 -20.648 1.00 44.55 H new ATOM 0 HG2 ARG A 52 22.360 -5.050 -20.304 1.00 4.21 H new ATOM 0 HG3 ARG A 52 23.722 -4.322 -19.476 1.00 4.21 H new ATOM 0 HD2 ARG A 52 22.157 -3.412 -17.736 1.00 65.44 H new ATOM 0 HD3 ARG A 52 20.815 -4.185 -18.555 1.00 65.44 H new ATOM 0 HE ARG A 52 22.281 -6.363 -18.123 1.00 4.24 H new ATOM 0 HH11 ARG A 52 21.907 -3.588 -16.018 1.00 64.32 H new ATOM 0 HH12 ARG A 52 22.082 -4.555 -14.550 1.00 64.32 H new ATOM 0 HH21 ARG A 52 22.480 -7.546 -16.256 1.00 5.42 H new ATOM 0 HH22 ARG A 52 22.399 -6.746 -14.683 1.00 5.42 H new ATOM 838 N LEU A 53 21.894 -3.525 -23.582 1.00 63.14 N ATOM 839 CA LEU A 53 21.493 -4.452 -24.649 1.00 74.11 C ATOM 840 C LEU A 53 22.213 -4.139 -25.977 1.00 34.21 C ATOM 841 O LEU A 53 21.818 -4.634 -27.035 1.00 33.45 O ATOM 842 CB LEU A 53 19.972 -4.383 -24.857 1.00 72.55 C ATOM 843 CG LEU A 53 19.119 -4.747 -23.630 1.00 74.24 C ATOM 844 CD1 LEU A 53 17.633 -4.567 -23.932 1.00 23.34 C ATOM 845 CD2 LEU A 53 19.407 -6.177 -23.174 1.00 22.05 C ATOM 0 H LEU A 53 21.361 -2.655 -23.565 1.00 63.14 H new ATOM 0 HA LEU A 53 21.779 -5.457 -24.340 1.00 74.11 H new ATOM 0 HB2 LEU A 53 19.711 -3.373 -25.172 1.00 72.55 H new ATOM 0 HB3 LEU A 53 19.704 -5.051 -25.675 1.00 72.55 H new ATOM 0 HG LEU A 53 19.387 -4.070 -22.818 1.00 74.24 H new ATOM 0 HD11 LEU A 53 17.048 -4.830 -23.051 1.00 23.34 H new ATOM 0 HD12 LEU A 53 17.439 -3.528 -24.199 1.00 23.34 H new ATOM 0 HD13 LEU A 53 17.349 -5.214 -24.762 1.00 23.34 H new ATOM 0 HD21 LEU A 53 18.793 -6.413 -22.305 1.00 22.05 H new ATOM 0 HD22 LEU A 53 19.174 -6.870 -23.982 1.00 22.05 H new ATOM 0 HD23 LEU A 53 20.460 -6.269 -22.909 1.00 22.05 H new ATOM 857 N ASP A 54 23.252 -3.298 -25.913 1.00 22.01 N ATOM 858 CA ASP A 54 24.071 -2.942 -27.088 1.00 31.44 C ATOM 859 C ASP A 54 23.268 -2.127 -28.131 1.00 64.12 C ATOM 860 O ASP A 54 23.766 -1.804 -29.214 1.00 70.05 O ATOM 861 CB ASP A 54 24.664 -4.216 -27.717 1.00 52.34 C ATOM 862 CG ASP A 54 25.736 -3.922 -28.753 1.00 23.20 C ATOM 863 OD1 ASP A 54 26.862 -3.554 -28.357 1.00 44.32 O ATOM 864 OD2 ASP A 54 25.465 -4.071 -29.965 1.00 10.43 O ATOM 0 H ASP A 54 23.552 -2.844 -25.050 1.00 22.01 H new ATOM 0 HA ASP A 54 24.885 -2.301 -26.750 1.00 31.44 H new ATOM 0 HB2 ASP A 54 25.088 -4.840 -26.930 1.00 52.34 H new ATOM 0 HB3 ASP A 54 23.864 -4.791 -28.183 1.00 52.34 H new ATOM 869 N ARG A 55 22.035 -1.768 -27.785 1.00 52.24 N ATOM 870 CA ARG A 55 21.155 -1.013 -28.685 1.00 64.24 C ATOM 871 C ARG A 55 21.478 0.493 -28.650 1.00 34.10 C ATOM 872 O ARG A 55 20.739 1.287 -28.066 1.00 54.25 O ATOM 873 CB ARG A 55 19.684 -1.247 -28.300 1.00 73.43 C ATOM 874 CG ARG A 55 19.275 -2.717 -28.267 1.00 12.02 C ATOM 875 CD ARG A 55 19.432 -3.383 -29.629 1.00 11.04 C ATOM 876 NE ARG A 55 18.721 -2.653 -30.675 1.00 12.20 N ATOM 877 CZ ARG A 55 17.992 -3.205 -31.601 1.00 74.11 C ATOM 878 NH1 ARG A 55 17.840 -4.489 -31.651 1.00 2.10 N ATOM 879 NH2 ARG A 55 17.408 -2.459 -32.472 1.00 60.13 N ATOM 0 H ARG A 55 21.616 -1.988 -26.881 1.00 52.24 H new ATOM 0 HA ARG A 55 21.324 -1.370 -29.701 1.00 64.24 H new ATOM 0 HB2 ARG A 55 19.502 -0.808 -27.319 1.00 73.43 H new ATOM 0 HB3 ARG A 55 19.046 -0.719 -29.009 1.00 73.43 H new ATOM 0 HG2 ARG A 55 19.882 -3.246 -27.532 1.00 12.02 H new ATOM 0 HG3 ARG A 55 18.238 -2.798 -27.941 1.00 12.02 H new ATOM 0 HD2 ARG A 55 20.490 -3.444 -29.884 1.00 11.04 H new ATOM 0 HD3 ARG A 55 19.056 -4.405 -29.579 1.00 11.04 H new ATOM 0 HE ARG A 55 18.802 -1.636 -30.680 1.00 12.20 H new ATOM 0 HH11 ARG A 55 18.295 -5.084 -30.958 1.00 2.10 H new ATOM 0 HH12 ARG A 55 17.265 -4.906 -32.383 1.00 2.10 H new ATOM 0 HH21 ARG A 55 17.519 -1.446 -32.432 1.00 60.13 H new ATOM 0 HH22 ARG A 55 16.834 -2.881 -33.202 1.00 60.13 H new ATOM 893 N THR A 56 22.594 0.871 -29.274 1.00 73.34 N ATOM 894 CA THR A 56 23.076 2.265 -29.249 1.00 41.32 C ATOM 895 C THR A 56 22.083 3.242 -29.904 1.00 2.53 C ATOM 896 O THR A 56 21.695 4.244 -29.300 1.00 52.04 O ATOM 897 CB THR A 56 24.449 2.397 -29.960 1.00 74.04 C ATOM 898 OG1 THR A 56 25.394 1.474 -29.391 1.00 42.05 O ATOM 899 CG2 THR A 56 24.996 3.818 -29.840 1.00 71.11 C ATOM 0 H THR A 56 23.187 0.234 -29.806 1.00 73.34 H new ATOM 0 HA THR A 56 23.178 2.528 -28.196 1.00 41.32 H new ATOM 0 HB THR A 56 24.301 2.167 -31.015 1.00 74.04 H new ATOM 0 HG1 THR A 56 26.256 1.565 -29.848 1.00 42.05 H new ATOM 0 HG21 THR A 56 25.959 3.881 -30.347 1.00 71.11 H new ATOM 0 HG22 THR A 56 24.297 4.517 -30.300 1.00 71.11 H new ATOM 0 HG23 THR A 56 25.123 4.071 -28.787 1.00 71.11 H new ATOM 907 N ASP A 57 21.666 2.939 -31.133 1.00 22.43 N ATOM 908 CA ASP A 57 20.741 3.809 -31.877 1.00 55.11 C ATOM 909 C ASP A 57 19.387 3.959 -31.158 1.00 73.21 C ATOM 910 O ASP A 57 18.856 5.070 -31.029 1.00 12.44 O ATOM 911 CB ASP A 57 20.525 3.262 -33.293 1.00 22.15 C ATOM 912 CG ASP A 57 21.808 3.250 -34.106 1.00 64.25 C ATOM 913 OD1 ASP A 57 22.130 4.285 -34.728 1.00 74.14 O ATOM 914 OD2 ASP A 57 22.498 2.210 -34.125 1.00 44.35 O ATOM 0 H ASP A 57 21.951 2.100 -31.638 1.00 22.43 H new ATOM 0 HA ASP A 57 21.196 4.798 -31.934 1.00 55.11 H new ATOM 0 HB2 ASP A 57 20.126 2.249 -33.232 1.00 22.15 H new ATOM 0 HB3 ASP A 57 19.778 3.869 -33.805 1.00 22.15 H new ATOM 919 N ASP A 58 18.838 2.838 -30.696 1.00 63.13 N ATOM 920 CA ASP A 58 17.555 2.829 -29.986 1.00 32.01 C ATOM 921 C ASP A 58 17.636 3.628 -28.670 1.00 23.23 C ATOM 922 O ASP A 58 16.692 4.332 -28.298 1.00 2.41 O ATOM 923 CB ASP A 58 17.135 1.383 -29.715 1.00 75.13 C ATOM 924 CG ASP A 58 17.210 0.532 -30.973 1.00 42.14 C ATOM 925 OD1 ASP A 58 18.317 0.057 -31.303 1.00 2.01 O ATOM 926 OD2 ASP A 58 16.173 0.345 -31.646 1.00 31.23 O ATOM 0 H ASP A 58 19.263 1.917 -30.800 1.00 63.13 H new ATOM 0 HA ASP A 58 16.806 3.312 -30.613 1.00 32.01 H new ATOM 0 HB2 ASP A 58 17.779 0.955 -28.947 1.00 75.13 H new ATOM 0 HB3 ASP A 58 16.118 1.366 -29.324 1.00 75.13 H new ATOM 931 N ALA A 59 18.771 3.519 -27.972 1.00 41.45 N ATOM 932 CA ALA A 59 19.014 4.308 -26.757 1.00 61.13 C ATOM 933 C ALA A 59 18.929 5.813 -27.051 1.00 10.43 C ATOM 934 O ALA A 59 18.215 6.554 -26.372 1.00 54.14 O ATOM 935 CB ALA A 59 20.379 3.958 -26.162 1.00 11.04 C ATOM 0 H ALA A 59 19.536 2.894 -28.226 1.00 41.45 H new ATOM 0 HA ALA A 59 18.239 4.061 -26.031 1.00 61.13 H new ATOM 0 HB1 ALA A 59 20.546 4.550 -25.262 1.00 11.04 H new ATOM 0 HB2 ALA A 59 20.405 2.898 -25.909 1.00 11.04 H new ATOM 0 HB3 ALA A 59 21.160 4.176 -26.890 1.00 11.04 H new ATOM 941 N ILE A 60 19.649 6.251 -28.086 1.00 30.53 N ATOM 942 CA ILE A 60 19.659 7.661 -28.499 1.00 72.10 C ATOM 943 C ILE A 60 18.241 8.180 -28.796 1.00 42.42 C ATOM 944 O ILE A 60 17.855 9.254 -28.336 1.00 33.45 O ATOM 945 CB ILE A 60 20.549 7.866 -29.752 1.00 60.11 C ATOM 946 CG1 ILE A 60 21.984 7.387 -29.476 1.00 13.02 C ATOM 947 CG2 ILE A 60 20.548 9.333 -30.189 1.00 13.55 C ATOM 948 CD1 ILE A 60 22.883 7.410 -30.695 1.00 12.31 C ATOM 0 H ILE A 60 20.238 5.646 -28.659 1.00 30.53 H new ATOM 0 HA ILE A 60 20.070 8.229 -27.664 1.00 72.10 H new ATOM 0 HB ILE A 60 20.134 7.270 -30.565 1.00 60.11 H new ATOM 0 HG12 ILE A 60 22.423 8.015 -28.701 1.00 13.02 H new ATOM 0 HG13 ILE A 60 21.948 6.371 -29.082 1.00 13.02 H new ATOM 0 HG21 ILE A 60 21.179 9.451 -31.070 1.00 13.55 H new ATOM 0 HG22 ILE A 60 19.530 9.641 -30.429 1.00 13.55 H new ATOM 0 HG23 ILE A 60 20.934 9.954 -29.380 1.00 13.55 H new ATOM 0 HD11 ILE A 60 23.878 7.059 -30.420 1.00 12.31 H new ATOM 0 HD12 ILE A 60 22.468 6.760 -31.465 1.00 12.31 H new ATOM 0 HD13 ILE A 60 22.951 8.428 -31.078 1.00 12.31 H new ATOM 960 N ASP A 61 17.470 7.403 -29.560 1.00 51.32 N ATOM 961 CA ASP A 61 16.090 7.776 -29.905 1.00 55.53 C ATOM 962 C ASP A 61 15.218 7.908 -28.643 1.00 34.42 C ATOM 963 O ASP A 61 14.366 8.798 -28.547 1.00 43.42 O ATOM 964 CB ASP A 61 15.491 6.738 -30.863 1.00 3.54 C ATOM 965 CG ASP A 61 14.111 7.137 -31.356 1.00 44.14 C ATOM 966 OD1 ASP A 61 14.021 8.026 -32.230 1.00 2.33 O ATOM 967 OD2 ASP A 61 13.110 6.568 -30.871 1.00 43.24 O ATOM 0 H ASP A 61 17.774 6.512 -29.953 1.00 51.32 H new ATOM 0 HA ASP A 61 16.111 8.747 -30.399 1.00 55.53 H new ATOM 0 HB2 ASP A 61 16.156 6.609 -31.717 1.00 3.54 H new ATOM 0 HB3 ASP A 61 15.429 5.774 -30.358 1.00 3.54 H new ATOM 972 N THR A 62 15.443 7.017 -27.679 1.00 32.03 N ATOM 973 CA THR A 62 14.750 7.073 -26.386 1.00 0.03 C ATOM 974 C THR A 62 15.098 8.366 -25.631 1.00 74.53 C ATOM 975 O THR A 62 14.220 9.034 -25.078 1.00 33.11 O ATOM 976 CB THR A 62 15.105 5.848 -25.504 1.00 41.43 C ATOM 977 OG1 THR A 62 14.743 4.635 -26.184 1.00 61.41 O ATOM 978 CG2 THR A 62 14.396 5.907 -24.151 1.00 2.10 C ATOM 0 H THR A 62 16.102 6.243 -27.766 1.00 32.03 H new ATOM 0 HA THR A 62 13.680 7.058 -26.593 1.00 0.03 H new ATOM 0 HB THR A 62 16.180 5.866 -25.325 1.00 41.43 H new ATOM 0 HG1 THR A 62 15.379 4.465 -26.910 1.00 61.41 H new ATOM 0 HG21 THR A 62 14.668 5.033 -23.559 1.00 2.10 H new ATOM 0 HG22 THR A 62 14.697 6.811 -23.622 1.00 2.10 H new ATOM 0 HG23 THR A 62 13.317 5.919 -24.306 1.00 2.10 H new ATOM 986 N TYR A 63 16.386 8.722 -25.627 1.00 45.40 N ATOM 987 CA TYR A 63 16.843 9.971 -25.002 1.00 41.11 C ATOM 988 C TYR A 63 16.290 11.203 -25.733 1.00 24.25 C ATOM 989 O TYR A 63 15.917 12.186 -25.101 1.00 34.45 O ATOM 990 CB TYR A 63 18.377 10.039 -24.972 1.00 13.35 C ATOM 991 CG TYR A 63 19.027 9.010 -24.062 1.00 43.25 C ATOM 992 CD1 TYR A 63 18.658 8.904 -22.724 1.00 40.04 C ATOM 993 CD2 TYR A 63 20.008 8.145 -24.539 1.00 31.43 C ATOM 994 CE1 TYR A 63 19.244 7.973 -21.891 1.00 51.54 C ATOM 995 CE2 TYR A 63 20.599 7.210 -23.710 1.00 22.33 C ATOM 996 CZ TYR A 63 20.213 7.129 -22.388 1.00 74.11 C ATOM 997 OH TYR A 63 20.799 6.202 -21.558 1.00 12.52 O ATOM 0 H TYR A 63 17.130 8.166 -26.048 1.00 45.40 H new ATOM 0 HA TYR A 63 16.463 9.975 -23.980 1.00 41.11 H new ATOM 0 HB2 TYR A 63 18.756 9.903 -25.985 1.00 13.35 H new ATOM 0 HB3 TYR A 63 18.679 11.035 -24.650 1.00 13.35 H new ATOM 0 HD1 TYR A 63 17.898 9.563 -22.330 1.00 40.04 H new ATOM 0 HD2 TYR A 63 20.312 8.205 -25.574 1.00 31.43 H new ATOM 0 HE1 TYR A 63 18.945 7.906 -20.855 1.00 51.54 H new ATOM 0 HE2 TYR A 63 21.359 6.546 -24.095 1.00 22.33 H new ATOM 0 HH TYR A 63 21.679 5.956 -21.912 1.00 12.52 H new ATOM 1007 N ALA A 64 16.242 11.139 -27.064 1.00 33.35 N ATOM 1008 CA ALA A 64 15.731 12.245 -27.888 1.00 25.51 C ATOM 1009 C ALA A 64 14.317 12.675 -27.454 1.00 34.13 C ATOM 1010 O ALA A 64 14.084 13.840 -27.121 1.00 32.54 O ATOM 1011 CB ALA A 64 15.737 11.844 -29.360 1.00 72.45 C ATOM 0 H ALA A 64 16.552 10.329 -27.601 1.00 33.35 H new ATOM 0 HA ALA A 64 16.390 13.101 -27.745 1.00 25.51 H new ATOM 0 HB1 ALA A 64 15.357 12.669 -29.963 1.00 72.45 H new ATOM 0 HB2 ALA A 64 16.755 11.608 -29.669 1.00 72.45 H new ATOM 0 HB3 ALA A 64 15.103 10.969 -29.501 1.00 72.45 H new ATOM 1017 N GLN A 65 13.381 11.722 -27.448 1.00 73.40 N ATOM 1018 CA GLN A 65 12.012 11.986 -26.989 1.00 51.11 C ATOM 1019 C GLN A 65 12.023 12.388 -25.503 1.00 42.30 C ATOM 1020 O GLN A 65 11.277 13.272 -25.070 1.00 34.32 O ATOM 1021 CB GLN A 65 11.134 10.737 -27.214 1.00 11.12 C ATOM 1022 CG GLN A 65 9.630 11.019 -27.326 1.00 62.21 C ATOM 1023 CD GLN A 65 8.965 11.430 -26.018 1.00 34.44 C ATOM 1024 OE1 GLN A 65 8.010 12.196 -26.009 1.00 71.10 O ATOM 1025 NE2 GLN A 65 9.443 10.909 -24.905 1.00 41.22 N ATOM 0 H GLN A 65 13.544 10.763 -27.755 1.00 73.40 H new ATOM 0 HA GLN A 65 11.592 12.811 -27.564 1.00 51.11 H new ATOM 0 HB2 GLN A 65 11.464 10.237 -28.125 1.00 11.12 H new ATOM 0 HB3 GLN A 65 11.299 10.041 -26.391 1.00 11.12 H new ATOM 0 HG2 GLN A 65 9.475 11.808 -28.061 1.00 62.21 H new ATOM 0 HG3 GLN A 65 9.133 10.127 -27.707 1.00 62.21 H new ATOM 0 HE21 GLN A 65 10.240 10.273 -24.941 1.00 41.22 H new ATOM 0 HE22 GLN A 65 9.016 11.142 -24.008 1.00 41.22 H new ATOM 1034 N GLY A 66 12.897 11.735 -24.732 1.00 43.12 N ATOM 1035 CA GLY A 66 13.070 12.075 -23.326 1.00 14.33 C ATOM 1036 C GLY A 66 13.435 13.541 -23.115 1.00 11.11 C ATOM 1037 O GLY A 66 12.934 14.183 -22.199 1.00 2.25 O ATOM 0 H GLY A 66 13.490 10.973 -25.060 1.00 43.12 H new ATOM 0 HA2 GLY A 66 12.149 11.853 -22.787 1.00 14.33 H new ATOM 0 HA3 GLY A 66 13.850 11.445 -22.898 1.00 14.33 H new ATOM 1041 N ILE A 67 14.301 14.070 -23.979 1.00 23.34 N ATOM 1042 CA ILE A 67 14.696 15.484 -23.935 1.00 10.21 C ATOM 1043 C ILE A 67 13.471 16.405 -24.060 1.00 32.25 C ATOM 1044 O ILE A 67 13.329 17.383 -23.320 1.00 14.52 O ATOM 1045 CB ILE A 67 15.712 15.802 -25.070 1.00 23.23 C ATOM 1046 CG1 ILE A 67 17.058 15.116 -24.783 1.00 40.45 C ATOM 1047 CG2 ILE A 67 15.899 17.309 -25.254 1.00 30.52 C ATOM 1048 CD1 ILE A 67 18.095 15.310 -25.872 1.00 74.11 C ATOM 0 H ILE A 67 14.748 13.538 -24.726 1.00 23.34 H new ATOM 0 HA ILE A 67 15.170 15.667 -22.970 1.00 10.21 H new ATOM 0 HB ILE A 67 15.308 15.409 -26.003 1.00 23.23 H new ATOM 0 HG12 ILE A 67 17.457 15.500 -23.844 1.00 40.45 H new ATOM 0 HG13 ILE A 67 16.887 14.048 -24.644 1.00 40.45 H new ATOM 0 HG21 ILE A 67 16.615 17.492 -26.055 1.00 30.52 H new ATOM 0 HG22 ILE A 67 14.943 17.766 -25.511 1.00 30.52 H new ATOM 0 HG23 ILE A 67 16.272 17.745 -24.327 1.00 30.52 H new ATOM 0 HD11 ILE A 67 19.015 14.796 -25.594 1.00 74.11 H new ATOM 0 HD12 ILE A 67 17.719 14.900 -26.809 1.00 74.11 H new ATOM 0 HD13 ILE A 67 18.297 16.374 -25.997 1.00 74.11 H new ATOM 1060 N GLU A 68 12.583 16.065 -24.988 1.00 1.13 N ATOM 1061 CA GLU A 68 11.369 16.845 -25.232 1.00 24.01 C ATOM 1062 C GLU A 68 10.442 16.854 -24.001 1.00 43.41 C ATOM 1063 O GLU A 68 10.002 17.913 -23.549 1.00 32.52 O ATOM 1064 CB GLU A 68 10.637 16.283 -26.461 1.00 13.42 C ATOM 1065 CG GLU A 68 11.527 16.193 -27.702 1.00 72.32 C ATOM 1066 CD GLU A 68 10.784 15.714 -28.939 1.00 65.11 C ATOM 1067 OE1 GLU A 68 10.129 16.544 -29.599 1.00 3.24 O ATOM 1068 OE2 GLU A 68 10.859 14.509 -29.261 1.00 74.51 O ATOM 0 H GLU A 68 12.681 15.247 -25.590 1.00 1.13 H new ATOM 0 HA GLU A 68 11.656 17.879 -25.424 1.00 24.01 H new ATOM 0 HB2 GLU A 68 10.252 15.291 -26.225 1.00 13.42 H new ATOM 0 HB3 GLU A 68 9.776 16.914 -26.684 1.00 13.42 H new ATOM 0 HG2 GLU A 68 11.959 17.173 -27.903 1.00 72.32 H new ATOM 0 HG3 GLU A 68 12.356 15.515 -27.498 1.00 72.32 H new ATOM 1075 N VAL A 69 10.165 15.677 -23.444 1.00 63.31 N ATOM 1076 CA VAL A 69 9.307 15.579 -22.254 1.00 63.22 C ATOM 1077 C VAL A 69 10.027 16.044 -20.974 1.00 22.42 C ATOM 1078 O VAL A 69 9.384 16.423 -19.997 1.00 41.54 O ATOM 1079 CB VAL A 69 8.765 14.143 -22.046 1.00 71.34 C ATOM 1080 CG1 VAL A 69 7.907 13.713 -23.234 1.00 23.52 C ATOM 1081 CG2 VAL A 69 9.903 13.152 -21.809 1.00 52.33 C ATOM 0 H VAL A 69 10.516 14.784 -23.789 1.00 63.31 H new ATOM 0 HA VAL A 69 8.467 16.248 -22.441 1.00 63.22 H new ATOM 0 HB VAL A 69 8.137 14.147 -21.155 1.00 71.34 H new ATOM 0 HG11 VAL A 69 7.536 12.702 -23.068 1.00 23.52 H new ATOM 0 HG12 VAL A 69 7.064 14.396 -23.340 1.00 23.52 H new ATOM 0 HG13 VAL A 69 8.508 13.734 -24.143 1.00 23.52 H new ATOM 0 HG21 VAL A 69 9.492 12.153 -21.666 1.00 52.33 H new ATOM 0 HG22 VAL A 69 10.569 13.150 -22.671 1.00 52.33 H new ATOM 0 HG23 VAL A 69 10.461 13.445 -20.920 1.00 52.33 H new ATOM 1091 N ALA A 70 11.357 16.016 -20.978 1.00 51.54 N ATOM 1092 CA ALA A 70 12.141 16.479 -19.825 1.00 43.31 C ATOM 1093 C ALA A 70 12.005 17.993 -19.630 1.00 53.31 C ATOM 1094 O ALA A 70 11.725 18.466 -18.531 1.00 25.23 O ATOM 1095 CB ALA A 70 13.609 16.099 -19.987 1.00 54.40 C ATOM 0 H ALA A 70 11.917 15.680 -21.761 1.00 51.54 H new ATOM 0 HA ALA A 70 11.745 15.986 -18.937 1.00 43.31 H new ATOM 0 HB1 ALA A 70 14.173 16.450 -19.123 1.00 54.40 H new ATOM 0 HB2 ALA A 70 13.698 15.015 -20.062 1.00 54.40 H new ATOM 0 HB3 ALA A 70 14.006 16.559 -20.892 1.00 54.40 H new ATOM 1101 N ARG A 71 12.202 18.746 -20.710 1.00 24.54 N ATOM 1102 CA ARG A 71 12.104 20.211 -20.667 1.00 65.41 C ATOM 1103 C ARG A 71 10.666 20.692 -20.387 1.00 24.44 C ATOM 1104 O ARG A 71 10.461 21.673 -19.664 1.00 40.45 O ATOM 1105 CB ARG A 71 12.616 20.814 -21.987 1.00 23.35 C ATOM 1106 CG ARG A 71 11.915 20.264 -23.228 1.00 75.24 C ATOM 1107 CD ARG A 71 12.426 20.903 -24.516 1.00 62.35 C ATOM 1108 NE ARG A 71 12.187 22.342 -24.547 1.00 41.24 N ATOM 1109 CZ ARG A 71 11.188 22.910 -25.170 1.00 54.31 C ATOM 1110 NH1 ARG A 71 10.321 22.200 -25.826 1.00 1.42 N ATOM 1111 NH2 ARG A 71 11.054 24.195 -25.137 1.00 41.30 N ATOM 0 H ARG A 71 12.431 18.369 -21.630 1.00 24.54 H new ATOM 0 HA ARG A 71 12.728 20.554 -19.842 1.00 65.41 H new ATOM 0 HB2 ARG A 71 12.485 21.896 -21.957 1.00 23.35 H new ATOM 0 HB3 ARG A 71 13.686 20.625 -22.071 1.00 23.35 H new ATOM 0 HG2 ARG A 71 12.063 19.185 -23.277 1.00 75.24 H new ATOM 0 HG3 ARG A 71 10.842 20.435 -23.142 1.00 75.24 H new ATOM 0 HD2 ARG A 71 13.494 20.711 -24.616 1.00 62.35 H new ATOM 0 HD3 ARG A 71 11.937 20.436 -25.371 1.00 62.35 H new ATOM 0 HE ARG A 71 12.843 22.945 -24.050 1.00 41.24 H new ATOM 0 HH11 ARG A 71 10.414 21.185 -25.860 1.00 1.42 H new ATOM 0 HH12 ARG A 71 9.547 22.657 -26.307 1.00 1.42 H new ATOM 0 HH21 ARG A 71 11.727 24.765 -24.625 1.00 41.30 H new ATOM 0 HH22 ARG A 71 10.275 24.639 -25.623 1.00 41.30 H new ATOM 1125 N GLU A 72 9.673 20.012 -20.964 1.00 11.31 N ATOM 1126 CA GLU A 72 8.267 20.422 -20.809 1.00 35.53 C ATOM 1127 C GLU A 72 7.596 19.820 -19.557 1.00 3.22 C ATOM 1128 O GLU A 72 7.009 20.546 -18.753 1.00 33.31 O ATOM 1129 CB GLU A 72 7.465 20.053 -22.065 1.00 25.04 C ATOM 1130 CG GLU A 72 7.891 20.821 -23.315 1.00 62.21 C ATOM 1131 CD GLU A 72 7.775 22.330 -23.144 1.00 63.52 C ATOM 1132 OE1 GLU A 72 6.639 22.846 -23.124 1.00 1.02 O ATOM 1133 OE2 GLU A 72 8.819 23.005 -23.023 1.00 14.20 O ATOM 0 H GLU A 72 9.810 19.181 -21.539 1.00 11.31 H new ATOM 0 HA GLU A 72 8.270 21.504 -20.676 1.00 35.53 H new ATOM 0 HB2 GLU A 72 7.572 18.985 -22.252 1.00 25.04 H new ATOM 0 HB3 GLU A 72 6.408 20.240 -21.878 1.00 25.04 H new ATOM 0 HG2 GLU A 72 8.922 20.565 -23.560 1.00 62.21 H new ATOM 0 HG3 GLU A 72 7.275 20.506 -24.158 1.00 62.21 H new ATOM 1140 N GLU A 73 7.685 18.501 -19.391 1.00 64.01 N ATOM 1141 CA GLU A 73 6.975 17.805 -18.302 1.00 3.21 C ATOM 1142 C GLU A 73 7.830 17.666 -17.032 1.00 32.14 C ATOM 1143 O GLU A 73 7.416 18.082 -15.945 1.00 1.21 O ATOM 1144 CB GLU A 73 6.529 16.412 -18.776 1.00 75.14 C ATOM 1145 CG GLU A 73 5.546 16.440 -19.943 1.00 63.53 C ATOM 1146 CD GLU A 73 4.221 17.101 -19.584 1.00 13.44 C ATOM 1147 OE1 GLU A 73 3.328 16.408 -19.054 1.00 23.33 O ATOM 1148 OE2 GLU A 73 4.065 18.316 -19.828 1.00 34.54 O ATOM 0 H GLU A 73 8.238 17.889 -19.991 1.00 64.01 H new ATOM 0 HA GLU A 73 6.108 18.413 -18.046 1.00 3.21 H new ATOM 0 HB2 GLU A 73 7.409 15.840 -19.069 1.00 75.14 H new ATOM 0 HB3 GLU A 73 6.070 15.884 -17.940 1.00 75.14 H new ATOM 0 HG2 GLU A 73 5.998 16.973 -20.780 1.00 63.53 H new ATOM 0 HG3 GLU A 73 5.359 15.420 -20.279 1.00 63.53 H new ATOM 1155 N GLY A 74 9.013 17.068 -17.172 1.00 12.55 N ATOM 1156 CA GLY A 74 9.867 16.795 -16.016 1.00 34.34 C ATOM 1157 C GLY A 74 10.619 18.020 -15.501 1.00 42.51 C ATOM 1158 O GLY A 74 10.023 18.932 -14.922 1.00 21.14 O ATOM 0 H GLY A 74 9.399 16.766 -18.066 1.00 12.55 H new ATOM 0 HA2 GLY A 74 9.254 16.392 -15.210 1.00 34.34 H new ATOM 0 HA3 GLY A 74 10.589 16.023 -16.284 1.00 34.34 H new ATOM 1162 N THR A 75 11.935 18.044 -15.700 1.00 72.34 N ATOM 1163 CA THR A 75 12.766 19.152 -15.217 1.00 33.32 C ATOM 1164 C THR A 75 14.020 19.355 -16.078 1.00 43.40 C ATOM 1165 O THR A 75 14.411 18.485 -16.862 1.00 54.22 O ATOM 1166 CB THR A 75 13.206 18.947 -13.748 1.00 31.24 C ATOM 1167 OG1 THR A 75 14.011 20.057 -13.316 1.00 42.00 O ATOM 1168 CG2 THR A 75 13.991 17.650 -13.582 1.00 63.23 C ATOM 0 H THR A 75 12.450 17.313 -16.190 1.00 72.34 H new ATOM 0 HA THR A 75 12.137 20.040 -15.287 1.00 33.32 H new ATOM 0 HB THR A 75 12.308 18.885 -13.134 1.00 31.24 H new ATOM 0 HG1 THR A 75 14.284 19.920 -12.385 1.00 42.00 H new ATOM 0 HG21 THR A 75 14.286 17.534 -12.539 1.00 63.23 H new ATOM 0 HG22 THR A 75 13.367 16.807 -13.878 1.00 63.23 H new ATOM 0 HG23 THR A 75 14.881 17.681 -14.210 1.00 63.23 H new ATOM 1176 N GLN A 76 14.662 20.508 -15.904 1.00 11.14 N ATOM 1177 CA GLN A 76 15.854 20.865 -16.678 1.00 25.40 C ATOM 1178 C GLN A 76 17.079 20.042 -16.241 1.00 52.10 C ATOM 1179 O GLN A 76 18.021 19.855 -17.015 1.00 75.21 O ATOM 1180 CB GLN A 76 16.135 22.368 -16.527 1.00 52.52 C ATOM 1181 CG GLN A 76 17.275 22.887 -17.403 1.00 41.23 C ATOM 1182 CD GLN A 76 17.470 24.394 -17.303 1.00 23.41 C ATOM 1183 OE1 GLN A 76 18.579 24.900 -17.443 1.00 50.10 O ATOM 1184 NE2 GLN A 76 16.394 25.125 -17.075 1.00 3.22 N ATOM 0 H GLN A 76 14.376 21.217 -15.229 1.00 11.14 H new ATOM 0 HA GLN A 76 15.664 20.635 -17.726 1.00 25.40 H new ATOM 0 HB2 GLN A 76 15.227 22.921 -16.768 1.00 52.52 H new ATOM 0 HB3 GLN A 76 16.370 22.579 -15.484 1.00 52.52 H new ATOM 0 HG2 GLN A 76 18.201 22.388 -17.117 1.00 41.23 H new ATOM 0 HG3 GLN A 76 17.077 22.621 -18.441 1.00 41.23 H new ATOM 0 HE21 GLN A 76 15.486 24.675 -16.963 1.00 3.22 H new ATOM 0 HE22 GLN A 76 16.471 26.140 -17.011 1.00 3.22 H new ATOM 1193 N LYS A 77 17.057 19.536 -15.006 1.00 11.51 N ATOM 1194 CA LYS A 77 18.173 18.733 -14.489 1.00 62.41 C ATOM 1195 C LYS A 77 18.309 17.402 -15.249 1.00 1.52 C ATOM 1196 O LYS A 77 19.389 17.064 -15.738 1.00 42.54 O ATOM 1197 CB LYS A 77 17.991 18.465 -12.990 1.00 62.12 C ATOM 1198 CG LYS A 77 19.093 17.593 -12.396 1.00 32.45 C ATOM 1199 CD LYS A 77 18.968 17.448 -10.883 1.00 63.21 C ATOM 1200 CE LYS A 77 20.097 16.599 -10.309 1.00 4.43 C ATOM 1201 NZ LYS A 77 21.432 17.157 -10.648 1.00 53.10 N ATOM 0 H LYS A 77 16.288 19.665 -14.349 1.00 11.51 H new ATOM 0 HA LYS A 77 19.089 19.304 -14.641 1.00 62.41 H new ATOM 0 HB2 LYS A 77 17.963 19.416 -12.458 1.00 62.12 H new ATOM 0 HB3 LYS A 77 17.028 17.981 -12.829 1.00 62.12 H new ATOM 0 HG2 LYS A 77 19.059 16.606 -12.857 1.00 32.45 H new ATOM 0 HG3 LYS A 77 20.064 18.025 -12.638 1.00 32.45 H new ATOM 0 HD2 LYS A 77 18.981 18.434 -10.419 1.00 63.21 H new ATOM 0 HD3 LYS A 77 18.008 16.993 -10.638 1.00 63.21 H new ATOM 0 HE2 LYS A 77 19.992 16.539 -9.226 1.00 4.43 H new ATOM 0 HE3 LYS A 77 20.019 15.582 -10.694 1.00 4.43 H new ATOM 0 HZ1 LYS A 77 22.153 16.729 -10.033 1.00 53.10 H new ATOM 0 HZ2 LYS A 77 21.654 16.946 -11.642 1.00 53.10 H new ATOM 0 HZ3 LYS A 77 21.424 18.187 -10.507 1.00 53.10 H new ATOM 1215 N ASP A 78 17.207 16.659 -15.370 1.00 64.43 N ATOM 1216 CA ASP A 78 17.208 15.421 -16.155 1.00 20.35 C ATOM 1217 C ASP A 78 17.396 15.725 -17.650 1.00 30.32 C ATOM 1218 O ASP A 78 18.006 14.945 -18.378 1.00 60.53 O ATOM 1219 CB ASP A 78 15.918 14.625 -15.916 1.00 23.44 C ATOM 1220 CG ASP A 78 15.826 14.092 -14.494 1.00 61.04 C ATOM 1221 OD1 ASP A 78 16.606 13.182 -14.141 1.00 42.11 O ATOM 1222 OD2 ASP A 78 14.974 14.576 -13.720 1.00 70.33 O ATOM 0 H ASP A 78 16.311 16.889 -14.940 1.00 64.43 H new ATOM 0 HA ASP A 78 18.048 14.809 -15.826 1.00 20.35 H new ATOM 0 HB2 ASP A 78 15.057 15.262 -16.120 1.00 23.44 H new ATOM 0 HB3 ASP A 78 15.872 13.792 -16.618 1.00 23.44 H new ATOM 1227 N LEU A 79 16.880 16.875 -18.094 1.00 54.11 N ATOM 1228 CA LEU A 79 17.129 17.371 -19.454 1.00 15.03 C ATOM 1229 C LEU A 79 18.640 17.428 -19.747 1.00 74.03 C ATOM 1230 O LEU A 79 19.107 16.961 -20.788 1.00 60.52 O ATOM 1231 CB LEU A 79 16.507 18.767 -19.615 1.00 53.13 C ATOM 1232 CG LEU A 79 16.845 19.500 -20.922 1.00 31.54 C ATOM 1233 CD1 LEU A 79 16.342 18.716 -22.126 1.00 4.54 C ATOM 1234 CD2 LEU A 79 16.268 20.914 -20.913 1.00 50.44 C ATOM 0 H LEU A 79 16.285 17.483 -17.531 1.00 54.11 H new ATOM 0 HA LEU A 79 16.670 16.685 -20.166 1.00 15.03 H new ATOM 0 HB2 LEU A 79 15.424 18.672 -19.543 1.00 53.13 H new ATOM 0 HB3 LEU A 79 16.829 19.387 -18.778 1.00 53.13 H new ATOM 0 HG LEU A 79 17.930 19.577 -20.999 1.00 31.54 H new ATOM 0 HD11 LEU A 79 16.592 19.254 -23.041 1.00 4.54 H new ATOM 0 HD12 LEU A 79 16.813 17.733 -22.143 1.00 4.54 H new ATOM 0 HD13 LEU A 79 15.260 18.599 -22.058 1.00 4.54 H new ATOM 0 HD21 LEU A 79 16.519 21.415 -21.848 1.00 50.44 H new ATOM 0 HD22 LEU A 79 15.184 20.864 -20.808 1.00 50.44 H new ATOM 0 HD23 LEU A 79 16.688 21.473 -20.077 1.00 50.44 H new ATOM 1246 N SER A 80 19.396 18.004 -18.814 1.00 42.15 N ATOM 1247 CA SER A 80 20.861 18.081 -18.931 1.00 32.21 C ATOM 1248 C SER A 80 21.483 16.680 -19.040 1.00 44.24 C ATOM 1249 O SER A 80 22.342 16.432 -19.891 1.00 75.33 O ATOM 1250 CB SER A 80 21.449 18.821 -17.722 1.00 54.02 C ATOM 1251 OG SER A 80 22.860 18.930 -17.814 1.00 33.33 O ATOM 0 H SER A 80 19.022 18.427 -17.964 1.00 42.15 H new ATOM 0 HA SER A 80 21.098 18.632 -19.841 1.00 32.21 H new ATOM 0 HB2 SER A 80 21.010 19.816 -17.655 1.00 54.02 H new ATOM 0 HB3 SER A 80 21.183 18.293 -16.806 1.00 54.02 H new ATOM 0 HG SER A 80 23.203 19.407 -17.030 1.00 33.33 H new ATOM 1257 N GLU A 81 21.024 15.765 -18.182 1.00 51.03 N ATOM 1258 CA GLU A 81 21.497 14.371 -18.187 1.00 23.34 C ATOM 1259 C GLU A 81 21.230 13.674 -19.534 1.00 15.22 C ATOM 1260 O GLU A 81 22.130 13.081 -20.125 1.00 24.12 O ATOM 1261 CB GLU A 81 20.821 13.575 -17.055 1.00 42.05 C ATOM 1262 CG GLU A 81 21.223 14.019 -15.652 1.00 5.30 C ATOM 1263 CD GLU A 81 22.699 13.787 -15.359 1.00 2.34 C ATOM 1264 OE1 GLU A 81 23.174 12.647 -15.542 1.00 64.34 O ATOM 1265 OE2 GLU A 81 23.390 14.736 -14.928 1.00 35.02 O ATOM 0 H GLU A 81 20.321 15.963 -17.470 1.00 51.03 H new ATOM 0 HA GLU A 81 22.575 14.397 -18.030 1.00 23.34 H new ATOM 0 HB2 GLU A 81 19.740 13.667 -17.157 1.00 42.05 H new ATOM 0 HB3 GLU A 81 21.064 12.519 -17.173 1.00 42.05 H new ATOM 0 HG2 GLU A 81 20.996 15.078 -15.532 1.00 5.30 H new ATOM 0 HG3 GLU A 81 20.623 13.479 -14.919 1.00 5.30 H new ATOM 1272 N LEU A 82 19.988 13.751 -20.011 1.00 40.41 N ATOM 1273 CA LEU A 82 19.587 13.090 -21.262 1.00 14.45 C ATOM 1274 C LEU A 82 20.392 13.604 -22.470 1.00 44.40 C ATOM 1275 O LEU A 82 20.714 12.839 -23.384 1.00 33.14 O ATOM 1276 CB LEU A 82 18.082 13.285 -21.499 1.00 43.40 C ATOM 1277 CG LEU A 82 17.172 12.714 -20.395 1.00 23.14 C ATOM 1278 CD1 LEU A 82 15.709 13.041 -20.671 1.00 14.14 C ATOM 1279 CD2 LEU A 82 17.369 11.206 -20.258 1.00 3.30 C ATOM 0 H LEU A 82 19.237 14.265 -19.551 1.00 40.41 H new ATOM 0 HA LEU A 82 19.802 12.026 -21.159 1.00 14.45 H new ATOM 0 HB2 LEU A 82 17.880 14.351 -21.600 1.00 43.40 H new ATOM 0 HB3 LEU A 82 17.815 12.818 -22.447 1.00 43.40 H new ATOM 0 HG LEU A 82 17.452 13.184 -19.452 1.00 23.14 H new ATOM 0 HD11 LEU A 82 15.088 12.627 -19.877 1.00 14.14 H new ATOM 0 HD12 LEU A 82 15.578 14.123 -20.707 1.00 14.14 H new ATOM 0 HD13 LEU A 82 15.413 12.608 -21.627 1.00 14.14 H new ATOM 0 HD21 LEU A 82 16.717 10.824 -19.473 1.00 3.30 H new ATOM 0 HD22 LEU A 82 17.124 10.720 -21.202 1.00 3.30 H new ATOM 0 HD23 LEU A 82 18.407 10.997 -20.001 1.00 3.30 H new ATOM 1291 N GLN A 83 20.711 14.900 -22.470 1.00 15.23 N ATOM 1292 CA GLN A 83 21.555 15.492 -23.518 1.00 21.33 C ATOM 1293 C GLN A 83 22.941 14.825 -23.557 1.00 52.22 C ATOM 1294 O GLN A 83 23.418 14.417 -24.618 1.00 24.21 O ATOM 1295 CB GLN A 83 21.701 17.006 -23.296 1.00 43.25 C ATOM 1296 CG GLN A 83 20.414 17.792 -23.519 1.00 4.00 C ATOM 1297 CD GLN A 83 20.582 19.269 -23.211 1.00 32.21 C ATOM 1298 OE1 GLN A 83 20.935 20.064 -24.075 1.00 21.02 O ATOM 1299 NE2 GLN A 83 20.333 19.644 -21.975 1.00 13.24 N ATOM 0 H GLN A 83 20.400 15.561 -21.759 1.00 15.23 H new ATOM 0 HA GLN A 83 21.068 15.320 -24.478 1.00 21.33 H new ATOM 0 HB2 GLN A 83 22.050 17.182 -22.279 1.00 43.25 H new ATOM 0 HB3 GLN A 83 22.470 17.389 -23.967 1.00 43.25 H new ATOM 0 HG2 GLN A 83 20.092 17.673 -24.554 1.00 4.00 H new ATOM 0 HG3 GLN A 83 19.625 17.379 -22.890 1.00 4.00 H new ATOM 0 HE21 GLN A 83 20.041 18.955 -21.282 1.00 13.24 H new ATOM 0 HE22 GLN A 83 20.432 20.624 -21.710 1.00 13.24 H new ATOM 1308 N ASP A 84 23.576 14.702 -22.394 1.00 61.42 N ATOM 1309 CA ASP A 84 24.868 14.016 -22.291 1.00 55.15 C ATOM 1310 C ASP A 84 24.730 12.523 -22.640 1.00 13.11 C ATOM 1311 O ASP A 84 25.575 11.953 -23.332 1.00 14.21 O ATOM 1312 CB ASP A 84 25.443 14.179 -20.879 1.00 73.35 C ATOM 1313 CG ASP A 84 26.756 13.437 -20.705 1.00 43.13 C ATOM 1314 OD1 ASP A 84 27.788 13.922 -21.216 1.00 11.43 O ATOM 1315 OD2 ASP A 84 26.759 12.355 -20.075 1.00 25.22 O ATOM 0 H ASP A 84 23.221 15.066 -21.510 1.00 61.42 H new ATOM 0 HA ASP A 84 25.552 14.470 -23.008 1.00 55.15 H new ATOM 0 HB2 ASP A 84 25.596 15.238 -20.671 1.00 73.35 H new ATOM 0 HB3 ASP A 84 24.721 13.812 -20.150 1.00 73.35 H new ATOM 1320 N ALA A 85 23.646 11.906 -22.169 1.00 24.41 N ATOM 1321 CA ALA A 85 23.381 10.484 -22.414 1.00 22.44 C ATOM 1322 C ALA A 85 23.389 10.134 -23.915 1.00 43.21 C ATOM 1323 O ALA A 85 23.972 9.127 -24.323 1.00 32.34 O ATOM 1324 CB ALA A 85 22.059 10.083 -21.774 1.00 70.45 C ATOM 0 H ALA A 85 22.930 12.372 -21.611 1.00 24.41 H new ATOM 0 HA ALA A 85 24.191 9.916 -21.956 1.00 22.44 H new ATOM 0 HB1 ALA A 85 21.870 9.026 -21.961 1.00 70.45 H new ATOM 0 HB2 ALA A 85 22.107 10.259 -20.699 1.00 70.45 H new ATOM 0 HB3 ALA A 85 21.252 10.677 -22.203 1.00 70.45 H new ATOM 1330 N LYS A 86 22.740 10.954 -24.740 1.00 52.20 N ATOM 1331 CA LYS A 86 22.781 10.748 -26.195 1.00 50.54 C ATOM 1332 C LYS A 86 24.141 11.176 -26.777 1.00 53.33 C ATOM 1333 O LYS A 86 24.680 10.517 -27.667 1.00 22.32 O ATOM 1334 CB LYS A 86 21.644 11.503 -26.901 1.00 41.23 C ATOM 1335 CG LYS A 86 21.678 13.019 -26.714 1.00 2.14 C ATOM 1336 CD LYS A 86 20.745 13.737 -27.687 1.00 24.03 C ATOM 1337 CE LYS A 86 21.202 13.570 -29.133 1.00 61.33 C ATOM 1338 NZ LYS A 86 20.284 14.241 -30.090 1.00 13.45 N ATOM 0 H LYS A 86 22.187 11.756 -24.437 1.00 52.20 H new ATOM 0 HA LYS A 86 22.646 9.681 -26.374 1.00 50.54 H new ATOM 0 HB2 LYS A 86 21.684 11.280 -27.967 1.00 41.23 H new ATOM 0 HB3 LYS A 86 20.690 11.125 -26.532 1.00 41.23 H new ATOM 0 HG2 LYS A 86 21.393 13.264 -25.691 1.00 2.14 H new ATOM 0 HG3 LYS A 86 22.697 13.379 -26.856 1.00 2.14 H new ATOM 0 HD2 LYS A 86 19.734 13.346 -27.577 1.00 24.03 H new ATOM 0 HD3 LYS A 86 20.705 14.797 -27.438 1.00 24.03 H new ATOM 0 HE2 LYS A 86 22.205 13.980 -29.245 1.00 61.33 H new ATOM 0 HE3 LYS A 86 21.263 12.509 -29.373 1.00 61.33 H new ATOM 0 HZ1 LYS A 86 20.632 14.102 -31.060 1.00 13.45 H new ATOM 0 HZ2 LYS A 86 19.332 13.832 -30.002 1.00 13.45 H new ATOM 0 HZ3 LYS A 86 20.245 15.258 -29.878 1.00 13.45 H new ATOM 1352 N LEU A 87 24.697 12.272 -26.249 1.00 21.22 N ATOM 1353 CA LEU A 87 25.976 12.819 -26.724 1.00 32.33 C ATOM 1354 C LEU A 87 27.087 11.761 -26.694 1.00 41.13 C ATOM 1355 O LEU A 87 27.801 11.568 -27.682 1.00 31.32 O ATOM 1356 CB LEU A 87 26.381 14.032 -25.869 1.00 70.14 C ATOM 1357 CG LEU A 87 27.712 14.708 -26.253 1.00 13.24 C ATOM 1358 CD1 LEU A 87 27.661 15.251 -27.679 1.00 52.45 C ATOM 1359 CD2 LEU A 87 28.056 15.823 -25.265 1.00 4.10 C ATOM 0 H LEU A 87 24.278 12.803 -25.486 1.00 21.22 H new ATOM 0 HA LEU A 87 25.841 13.134 -27.759 1.00 32.33 H new ATOM 0 HB2 LEU A 87 25.587 14.776 -25.928 1.00 70.14 H new ATOM 0 HB3 LEU A 87 26.443 13.715 -24.828 1.00 70.14 H new ATOM 0 HG LEU A 87 28.497 13.953 -26.208 1.00 13.24 H new ATOM 0 HD11 LEU A 87 28.613 15.722 -27.923 1.00 52.45 H new ATOM 0 HD12 LEU A 87 27.473 14.432 -28.374 1.00 52.45 H new ATOM 0 HD13 LEU A 87 26.861 15.987 -27.760 1.00 52.45 H new ATOM 0 HD21 LEU A 87 28.999 16.287 -25.554 1.00 4.10 H new ATOM 0 HD22 LEU A 87 27.265 16.573 -25.273 1.00 4.10 H new ATOM 0 HD23 LEU A 87 28.150 15.405 -24.263 1.00 4.10 H new ATOM 1371 N LYS A 88 27.233 11.077 -25.560 1.00 40.23 N ATOM 1372 CA LYS A 88 28.215 9.995 -25.436 1.00 53.31 C ATOM 1373 C LYS A 88 27.929 8.867 -26.447 1.00 14.51 C ATOM 1374 O LYS A 88 28.827 8.416 -27.157 1.00 23.43 O ATOM 1375 CB LYS A 88 28.215 9.422 -24.007 1.00 21.32 C ATOM 1376 CG LYS A 88 26.856 8.888 -23.573 1.00 14.43 C ATOM 1377 CD LYS A 88 26.924 8.046 -22.305 1.00 63.42 C ATOM 1378 CE LYS A 88 25.572 7.405 -22.008 1.00 12.11 C ATOM 1379 NZ LYS A 88 25.634 6.441 -20.882 1.00 54.01 N ATOM 0 H LYS A 88 26.687 11.250 -24.716 1.00 40.23 H new ATOM 0 HA LYS A 88 29.197 10.415 -25.652 1.00 53.31 H new ATOM 0 HB2 LYS A 88 28.950 8.619 -23.945 1.00 21.32 H new ATOM 0 HB3 LYS A 88 28.532 10.199 -23.311 1.00 21.32 H new ATOM 0 HG2 LYS A 88 26.178 9.726 -23.410 1.00 14.43 H new ATOM 0 HG3 LYS A 88 26.434 8.288 -24.379 1.00 14.43 H new ATOM 0 HD2 LYS A 88 27.682 7.271 -22.418 1.00 63.42 H new ATOM 0 HD3 LYS A 88 27.228 8.670 -21.465 1.00 63.42 H new ATOM 0 HE2 LYS A 88 24.847 8.185 -21.774 1.00 12.11 H new ATOM 0 HE3 LYS A 88 25.213 6.893 -22.901 1.00 12.11 H new ATOM 0 HZ1 LYS A 88 24.722 6.432 -20.382 1.00 54.01 H new ATOM 0 HZ2 LYS A 88 25.836 5.490 -21.250 1.00 54.01 H new ATOM 0 HZ3 LYS A 88 26.387 6.724 -20.223 1.00 54.01 H new ATOM 1393 N ALA A 89 26.666 8.439 -26.523 1.00 60.42 N ATOM 1394 CA ALA A 89 26.265 7.305 -27.370 1.00 33.32 C ATOM 1395 C ALA A 89 26.593 7.540 -28.853 1.00 73.44 C ATOM 1396 O ALA A 89 27.044 6.631 -29.553 1.00 41.01 O ATOM 1397 CB ALA A 89 24.778 7.022 -27.192 1.00 31.43 C ATOM 0 H ALA A 89 25.896 8.862 -26.005 1.00 60.42 H new ATOM 0 HA ALA A 89 26.841 6.437 -27.050 1.00 33.32 H new ATOM 0 HB1 ALA A 89 24.490 6.181 -27.823 1.00 31.43 H new ATOM 0 HB2 ALA A 89 24.576 6.779 -26.149 1.00 31.43 H new ATOM 0 HB3 ALA A 89 24.203 7.903 -27.477 1.00 31.43 H new ATOM 1403 N GLU A 90 26.377 8.764 -29.328 1.00 61.44 N ATOM 1404 CA GLU A 90 26.681 9.119 -30.720 1.00 62.24 C ATOM 1405 C GLU A 90 28.195 9.089 -31.004 1.00 11.54 C ATOM 1406 O GLU A 90 28.616 9.079 -32.162 1.00 0.25 O ATOM 1407 CB GLU A 90 26.113 10.505 -31.053 1.00 72.41 C ATOM 1408 CG GLU A 90 24.599 10.600 -30.902 1.00 72.41 C ATOM 1409 CD GLU A 90 24.056 11.963 -31.293 1.00 71.14 C ATOM 1410 OE1 GLU A 90 24.157 12.904 -30.482 1.00 64.11 O ATOM 1411 OE2 GLU A 90 23.521 12.096 -32.416 1.00 72.33 O ATOM 0 H GLU A 90 25.993 9.529 -28.773 1.00 61.44 H new ATOM 0 HA GLU A 90 26.209 8.371 -31.357 1.00 62.24 H new ATOM 0 HB2 GLU A 90 26.581 11.245 -30.404 1.00 72.41 H new ATOM 0 HB3 GLU A 90 26.384 10.762 -32.077 1.00 72.41 H new ATOM 0 HG2 GLU A 90 24.128 9.835 -31.519 1.00 72.41 H new ATOM 0 HG3 GLU A 90 24.327 10.388 -29.868 1.00 72.41 H new ATOM 1418 N GLY A 91 29.005 9.078 -29.943 1.00 33.15 N ATOM 1419 CA GLY A 91 30.459 9.041 -30.096 1.00 1.51 C ATOM 1420 C GLY A 91 31.089 7.726 -29.640 1.00 14.30 C ATOM 1421 O GLY A 91 32.272 7.485 -29.884 1.00 21.41 O ATOM 0 H GLY A 91 28.681 9.094 -28.976 1.00 33.15 H new ATOM 0 HA2 GLY A 91 30.710 9.211 -31.143 1.00 1.51 H new ATOM 0 HA3 GLY A 91 30.897 9.861 -29.526 1.00 1.51 H new ATOM 1425 N LEU A 92 30.307 6.875 -28.972 1.00 2.32 N ATOM 1426 CA LEU A 92 30.805 5.572 -28.498 1.00 71.13 C ATOM 1427 C LEU A 92 31.162 4.639 -29.666 1.00 55.11 C ATOM 1428 O LEU A 92 32.066 3.807 -29.556 1.00 63.12 O ATOM 1429 CB LEU A 92 29.768 4.888 -27.591 1.00 24.23 C ATOM 1430 CG LEU A 92 29.541 5.546 -26.218 1.00 65.32 C ATOM 1431 CD1 LEU A 92 28.478 4.792 -25.421 1.00 43.14 C ATOM 1432 CD2 LEU A 92 30.850 5.634 -25.432 1.00 14.44 C ATOM 0 H LEU A 92 29.330 7.059 -28.745 1.00 2.32 H new ATOM 0 HA LEU A 92 31.712 5.767 -27.926 1.00 71.13 H new ATOM 0 HB2 LEU A 92 28.815 4.857 -28.120 1.00 24.23 H new ATOM 0 HB3 LEU A 92 30.078 3.855 -27.431 1.00 24.23 H new ATOM 0 HG LEU A 92 29.180 6.560 -26.387 1.00 65.32 H new ATOM 0 HD11 LEU A 92 28.336 5.276 -24.455 1.00 43.14 H new ATOM 0 HD12 LEU A 92 27.538 4.798 -25.972 1.00 43.14 H new ATOM 0 HD13 LEU A 92 28.801 3.763 -25.267 1.00 43.14 H new ATOM 0 HD21 LEU A 92 30.663 6.103 -24.466 1.00 14.44 H new ATOM 0 HD22 LEU A 92 31.250 4.632 -25.278 1.00 14.44 H new ATOM 0 HD23 LEU A 92 31.571 6.230 -25.991 1.00 14.44 H new ATOM 1444 N GLU A 93 30.447 4.778 -30.779 1.00 2.42 N ATOM 1445 CA GLU A 93 30.677 3.940 -31.960 1.00 31.53 C ATOM 1446 C GLU A 93 30.928 4.788 -33.216 1.00 32.14 C ATOM 1447 O GLU A 93 31.050 6.013 -33.140 1.00 55.43 O ATOM 1448 CB GLU A 93 29.487 2.981 -32.164 1.00 15.21 C ATOM 1449 CG GLU A 93 28.120 3.657 -32.309 1.00 12.33 C ATOM 1450 CD GLU A 93 27.936 4.365 -33.645 1.00 55.52 C ATOM 1451 OE1 GLU A 93 27.992 3.686 -34.690 1.00 14.22 O ATOM 1452 OE2 GLU A 93 27.755 5.602 -33.654 1.00 51.55 O ATOM 0 H GLU A 93 29.701 5.464 -30.891 1.00 2.42 H new ATOM 0 HA GLU A 93 31.577 3.350 -31.790 1.00 31.53 H new ATOM 0 HB2 GLU A 93 29.674 2.381 -33.055 1.00 15.21 H new ATOM 0 HB3 GLU A 93 29.446 2.294 -31.319 1.00 15.21 H new ATOM 0 HG2 GLU A 93 27.338 2.907 -32.192 1.00 12.33 H new ATOM 0 HG3 GLU A 93 27.992 4.379 -31.503 1.00 12.33 H new ATOM 1459 N HIS A 94 31.012 4.130 -34.370 1.00 32.44 N ATOM 1460 CA HIS A 94 31.211 4.825 -35.644 1.00 25.54 C ATOM 1461 C HIS A 94 30.699 3.991 -36.834 1.00 64.03 C ATOM 1462 O HIS A 94 31.364 3.057 -37.284 1.00 5.15 O ATOM 1463 CB HIS A 94 32.696 5.182 -35.826 1.00 13.20 C ATOM 1464 CG HIS A 94 33.641 4.041 -35.571 1.00 14.54 C ATOM 1465 ND1 HIS A 94 34.152 3.750 -34.324 1.00 41.35 N ATOM 1466 CD2 HIS A 94 34.170 3.118 -36.409 1.00 4.41 C ATOM 1467 CE1 HIS A 94 34.944 2.702 -34.405 1.00 1.52 C ATOM 1468 NE2 HIS A 94 34.974 2.301 -35.657 1.00 42.11 N ATOM 0 H HIS A 94 30.946 3.115 -34.451 1.00 32.44 H new ATOM 0 HA HIS A 94 30.627 5.745 -35.619 1.00 25.54 H new ATOM 0 HB2 HIS A 94 32.849 5.545 -36.842 1.00 13.20 H new ATOM 0 HB3 HIS A 94 32.946 6.003 -35.154 1.00 13.20 H new ATOM 0 HD2 HIS A 94 33.992 3.040 -37.471 1.00 4.41 H new ATOM 0 HE1 HIS A 94 35.478 2.249 -33.583 1.00 1.52 H new ATOM 0 HE2 HIS A 94 35.510 1.509 -36.012 1.00 42.11 H new ATOM 1477 N HIS A 95 29.504 4.321 -37.330 1.00 73.03 N ATOM 1478 CA HIS A 95 28.941 3.654 -38.515 1.00 20.34 C ATOM 1479 C HIS A 95 29.814 3.908 -39.759 1.00 75.22 C ATOM 1480 O HIS A 95 29.877 5.028 -40.270 1.00 1.14 O ATOM 1481 CB HIS A 95 27.501 4.132 -38.773 1.00 52.32 C ATOM 1482 CG HIS A 95 26.508 3.682 -37.736 1.00 61.04 C ATOM 1483 ND1 HIS A 95 26.034 4.504 -36.736 1.00 14.33 N ATOM 1484 CD2 HIS A 95 25.884 2.490 -37.560 1.00 20.11 C ATOM 1485 CE1 HIS A 95 25.167 3.843 -35.994 1.00 4.30 C ATOM 1486 NE2 HIS A 95 25.057 2.621 -36.470 1.00 32.01 N ATOM 0 H HIS A 95 28.905 5.045 -36.933 1.00 73.03 H new ATOM 0 HA HIS A 95 28.925 2.582 -38.319 1.00 20.34 H new ATOM 0 HB2 HIS A 95 27.494 5.221 -38.818 1.00 52.32 H new ATOM 0 HB3 HIS A 95 27.179 3.770 -39.750 1.00 52.32 H new ATOM 0 HD2 HIS A 95 26.013 1.604 -38.164 1.00 20.11 H new ATOM 0 HE1 HIS A 95 24.637 4.238 -35.140 1.00 4.30 H new ATOM 0 HE2 HIS A 95 24.455 1.890 -36.091 1.00 32.01 H new ATOM 1495 N HIS A 96 30.502 2.868 -40.236 1.00 52.32 N ATOM 1496 CA HIS A 96 31.403 3.002 -41.390 1.00 51.41 C ATOM 1497 C HIS A 96 30.664 2.703 -42.711 1.00 60.24 C ATOM 1498 O HIS A 96 30.505 1.545 -43.100 1.00 75.21 O ATOM 1499 CB HIS A 96 32.618 2.071 -41.223 1.00 31.23 C ATOM 1500 CG HIS A 96 33.734 2.345 -42.189 1.00 4.14 C ATOM 1501 ND1 HIS A 96 34.851 3.078 -41.855 1.00 23.14 N ATOM 1502 CD2 HIS A 96 33.908 1.976 -43.481 1.00 22.44 C ATOM 1503 CE1 HIS A 96 35.657 3.151 -42.892 1.00 34.25 C ATOM 1504 NE2 HIS A 96 35.111 2.493 -43.894 1.00 13.32 N ATOM 0 H HIS A 96 30.455 1.927 -39.845 1.00 52.32 H new ATOM 0 HA HIS A 96 31.754 4.033 -41.433 1.00 51.41 H new ATOM 0 HB2 HIS A 96 32.999 2.167 -40.206 1.00 31.23 H new ATOM 0 HB3 HIS A 96 32.291 1.038 -41.345 1.00 31.23 H new ATOM 0 HD2 HIS A 96 33.227 1.385 -44.075 1.00 22.44 H new ATOM 0 HE1 HIS A 96 36.607 3.664 -42.918 1.00 34.25 H new ATOM 0 HE2 HIS A 96 35.516 2.385 -44.824 1.00 13.32 H new ATOM 1513 N HIS A 97 30.214 3.761 -43.387 1.00 0.22 N ATOM 1514 CA HIS A 97 29.438 3.638 -44.632 1.00 30.43 C ATOM 1515 C HIS A 97 29.210 5.015 -45.276 1.00 2.44 C ATOM 1516 O HIS A 97 28.776 5.953 -44.609 1.00 5.15 O ATOM 1517 CB HIS A 97 28.087 2.954 -44.347 1.00 64.23 C ATOM 1518 CG HIS A 97 27.119 2.976 -45.497 1.00 42.12 C ATOM 1519 ND1 HIS A 97 27.274 2.222 -46.642 1.00 43.21 N ATOM 1520 CD2 HIS A 97 25.961 3.661 -45.662 1.00 12.02 C ATOM 1521 CE1 HIS A 97 26.258 2.441 -47.454 1.00 23.34 C ATOM 1522 NE2 HIS A 97 25.447 3.308 -46.883 1.00 22.14 N ATOM 0 H HIS A 97 30.374 4.725 -43.093 1.00 0.22 H new ATOM 0 HA HIS A 97 30.007 3.026 -45.331 1.00 30.43 H new ATOM 0 HB2 HIS A 97 28.272 1.918 -44.065 1.00 64.23 H new ATOM 0 HB3 HIS A 97 27.623 3.440 -43.489 1.00 64.23 H new ATOM 0 HD2 HIS A 97 25.524 4.357 -44.961 1.00 12.02 H new ATOM 0 HE1 HIS A 97 26.115 1.986 -48.423 1.00 23.34 H new ATOM 0 HE2 HIS A 97 24.578 3.660 -47.284 1.00 22.14 H new ATOM 1531 N HIS A 98 29.505 5.132 -46.570 1.00 72.33 N ATOM 1532 CA HIS A 98 29.304 6.397 -47.291 1.00 43.14 C ATOM 1533 C HIS A 98 27.831 6.582 -47.691 1.00 70.11 C ATOM 1534 O HIS A 98 27.137 5.612 -48.001 1.00 53.32 O ATOM 1535 CB HIS A 98 30.192 6.460 -48.545 1.00 5.33 C ATOM 1536 CG HIS A 98 29.823 5.466 -49.612 1.00 53.10 C ATOM 1537 ND1 HIS A 98 28.809 5.680 -50.526 1.00 2.44 N ATOM 1538 CD2 HIS A 98 30.335 4.246 -49.910 1.00 34.24 C ATOM 1539 CE1 HIS A 98 28.717 4.641 -51.332 1.00 1.11 C ATOM 1540 NE2 HIS A 98 29.628 3.759 -50.981 1.00 63.31 N ATOM 0 H HIS A 98 29.881 4.375 -47.141 1.00 72.33 H new ATOM 0 HA HIS A 98 29.586 7.205 -46.615 1.00 43.14 H new ATOM 0 HB2 HIS A 98 30.137 7.464 -48.965 1.00 5.33 H new ATOM 0 HB3 HIS A 98 31.228 6.293 -48.251 1.00 5.33 H new ATOM 0 HD2 HIS A 98 31.148 3.750 -49.400 1.00 34.24 H new ATOM 0 HE1 HIS A 98 28.013 4.532 -52.143 1.00 1.11 H new ATOM 0 HE2 HIS A 98 29.784 2.858 -51.432 1.00 63.31 H new ATOM 1549 N HIS A 99 27.364 7.829 -47.684 1.00 74.41 N ATOM 1550 CA HIS A 99 25.995 8.155 -48.113 1.00 2.22 C ATOM 1551 C HIS A 99 25.990 8.720 -49.549 1.00 35.01 C ATOM 1552 O HIS A 99 26.059 9.958 -49.713 1.00 38.30 O ATOM 1553 CB HIS A 99 25.360 9.162 -47.140 1.00 64.33 C ATOM 1554 CG HIS A 99 23.952 9.546 -47.495 1.00 42.42 C ATOM 1555 ND1 HIS A 99 23.646 10.583 -48.351 1.00 23.14 N ATOM 1556 CD2 HIS A 99 22.765 9.017 -47.116 1.00 62.03 C ATOM 1557 CE1 HIS A 99 22.340 10.678 -48.479 1.00 13.42 C ATOM 1558 NE2 HIS A 99 21.782 9.740 -47.743 1.00 31.41 N ATOM 1559 OXT HIS A 99 25.942 7.923 -50.506 1.00 38.30 O ATOM 0 H HIS A 99 27.911 8.636 -47.386 1.00 74.41 H new ATOM 0 HA HIS A 99 25.405 7.238 -48.106 1.00 2.22 H new ATOM 0 HB2 HIS A 99 25.368 8.737 -46.136 1.00 64.33 H new ATOM 0 HB3 HIS A 99 25.975 10.061 -47.111 1.00 64.33 H new ATOM 0 HD1 HIS A 99 24.328 11.184 -48.814 1.00 23.14 H new ATOM 0 HD2 HIS A 99 22.619 8.183 -46.446 1.00 62.03 H new ATOM 0 HE1 HIS A 99 21.815 11.402 -49.085 1.00 13.42 H new TER 1568 HIS A 99