USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 645 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 21 ASN : amide:sc= 1.15 K(o=1.3,f=-0.89!) USER MOD Set 1.2: A 67 THR OG1 : rot -80:sc= 0.18 USER MOD Set 2.1: A 44 SER OG : rot 180:sc= -0.0164 USER MOD Set 2.2: A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 152:sc= 0 (180deg=-1.29) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 179:sc= 2.39 (180deg=2.36) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -118:sc= 0.688 USER MOD Single : A 22 ASN : amide:sc= 0.201 X(o=0.2,f=-0.0026) USER MOD Single : A 23 ASN : amide:sc= -2.19 K(o=-2.2,f=-0.33) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 180:sc= -0.0494 USER MOD Single : A 30 HIS : no HD1:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -140:sc= 0.668 (180deg=-0.0261) USER MOD Single : A 37 LYS NZ :NH3+ -108:sc= 0.355 (180deg=-0.0838) USER MOD Single : A 41 HIS : no HD1:sc= 0.331 K(o=0.33,f=-5.1!) USER MOD Single : A 43 HIS : no HD1:sc= -0.0955 X(o=-0.095,f=-0.44) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 6:sc= 2.05 USER MOD Single : A 52 SER OG : rot -160:sc= -0.813 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.927 USER MOD Single : A 59 THR OG1 : rot 102:sc= 1.28 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HE2:sc= 1.08 K(o=1.1,f=-5.5!) USER MOD Single : A 70 LYS NZ :NH3+ -124:sc= 0.6 (180deg=-0.222) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= 0.00215 X(o=0.0021,f=-0.049) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 81 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.21) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 67.723 -22.653 5.835 1.00 0.00 N ATOM 2 CA MET A 1 66.467 -22.688 5.051 1.00 0.00 C ATOM 3 C MET A 1 65.665 -23.944 5.382 1.00 0.00 C ATOM 4 O MET A 1 64.709 -23.886 6.158 1.00 0.00 O ATOM 5 CB MET A 1 66.772 -22.630 3.550 1.00 0.00 C ATOM 6 CG MET A 1 65.527 -22.601 2.674 1.00 0.00 C ATOM 7 SD MET A 1 65.910 -22.616 0.912 1.00 0.00 S ATOM 8 CE MET A 1 64.260 -22.646 0.214 1.00 0.00 C ATOM 0 H1 MET A 1 68.256 -21.792 5.598 1.00 0.00 H new ATOM 0 H2 MET A 1 67.498 -22.652 6.850 1.00 0.00 H new ATOM 0 H3 MET A 1 68.297 -23.490 5.608 1.00 0.00 H new ATOM 0 HA MET A 1 65.870 -21.816 5.318 1.00 0.00 H new ATOM 0 HB2 MET A 1 67.371 -21.743 3.344 1.00 0.00 H new ATOM 0 HB3 MET A 1 67.377 -23.494 3.277 1.00 0.00 H new ATOM 0 HG2 MET A 1 64.901 -23.461 2.912 1.00 0.00 H new ATOM 0 HG3 MET A 1 64.945 -21.709 2.907 1.00 0.00 H new ATOM 0 HE1 MET A 1 64.272 -22.175 -0.769 1.00 0.00 H new ATOM 0 HE2 MET A 1 63.925 -23.679 0.117 1.00 0.00 H new ATOM 0 HE3 MET A 1 63.578 -22.103 0.868 1.00 0.00 H new ATOM 20 N ALA A 2 66.063 -25.076 4.809 1.00 0.00 N ATOM 21 CA ALA A 2 65.394 -26.347 5.063 1.00 0.00 C ATOM 22 C ALA A 2 66.213 -27.503 4.503 1.00 0.00 C ATOM 23 O ALA A 2 66.800 -28.281 5.255 1.00 0.00 O ATOM 24 CB ALA A 2 63.990 -26.353 4.472 1.00 0.00 C ATOM 0 H ALA A 2 66.850 -25.138 4.163 1.00 0.00 H new ATOM 0 HA ALA A 2 65.307 -26.473 6.142 1.00 0.00 H new ATOM 0 HB1 ALA A 2 63.514 -27.312 4.676 1.00 0.00 H new ATOM 0 HB2 ALA A 2 63.402 -25.553 4.922 1.00 0.00 H new ATOM 0 HB3 ALA A 2 64.048 -26.198 3.395 1.00 0.00 H new ATOM 30 N GLY A 3 66.252 -27.610 3.182 1.00 0.00 N ATOM 31 CA GLY A 3 67.029 -28.656 2.547 1.00 0.00 C ATOM 32 C GLY A 3 67.929 -28.116 1.461 1.00 0.00 C ATOM 33 O GLY A 3 69.060 -27.693 1.729 1.00 0.00 O ATOM 0 H GLY A 3 65.759 -26.991 2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 3 67.633 -29.165 3.298 1.00 0.00 H new ATOM 0 HA3 GLY A 3 66.355 -29.400 2.122 1.00 0.00 H new ATOM 37 N ASP A 4 67.426 -28.116 0.237 1.00 0.00 N ATOM 38 CA ASP A 4 68.190 -27.633 -0.901 1.00 0.00 C ATOM 39 C ASP A 4 67.692 -26.252 -1.305 1.00 0.00 C ATOM 40 O ASP A 4 66.519 -26.086 -1.645 1.00 0.00 O ATOM 41 CB ASP A 4 68.079 -28.610 -2.072 1.00 0.00 C ATOM 42 CG ASP A 4 68.953 -28.214 -3.244 1.00 0.00 C ATOM 43 OD1 ASP A 4 70.196 -28.312 -3.124 1.00 0.00 O ATOM 44 OD2 ASP A 4 68.406 -27.811 -4.290 1.00 0.00 O ATOM 0 H ASP A 4 66.489 -28.446 0.006 1.00 0.00 H new ATOM 0 HA ASP A 4 69.240 -27.560 -0.619 1.00 0.00 H new ATOM 0 HB2 ASP A 4 68.359 -29.608 -1.736 1.00 0.00 H new ATOM 0 HB3 ASP A 4 67.041 -28.663 -2.399 1.00 0.00 H new ATOM 49 N PRO A 5 68.579 -25.246 -1.253 1.00 0.00 N ATOM 50 CA PRO A 5 68.222 -23.843 -1.502 1.00 0.00 C ATOM 51 C PRO A 5 67.582 -23.614 -2.869 1.00 0.00 C ATOM 52 O PRO A 5 68.082 -24.082 -3.896 1.00 0.00 O ATOM 53 CB PRO A 5 69.564 -23.106 -1.418 1.00 0.00 C ATOM 54 CG PRO A 5 70.449 -24.003 -0.623 1.00 0.00 C ATOM 55 CD PRO A 5 70.012 -25.400 -0.948 1.00 0.00 C ATOM 0 HA PRO A 5 67.476 -23.497 -0.786 1.00 0.00 H new ATOM 0 HB2 PRO A 5 69.976 -22.923 -2.410 1.00 0.00 H new ATOM 0 HB3 PRO A 5 69.451 -22.135 -0.936 1.00 0.00 H new ATOM 0 HG2 PRO A 5 71.496 -23.850 -0.884 1.00 0.00 H new ATOM 0 HG3 PRO A 5 70.353 -23.801 0.444 1.00 0.00 H new ATOM 0 HD2 PRO A 5 70.562 -25.806 -1.797 1.00 0.00 H new ATOM 0 HD3 PRO A 5 70.174 -26.077 -0.109 1.00 0.00 H new ATOM 63 N LEU A 6 66.469 -22.895 -2.868 1.00 0.00 N ATOM 64 CA LEU A 6 65.802 -22.507 -4.102 1.00 0.00 C ATOM 65 C LEU A 6 66.470 -21.256 -4.666 1.00 0.00 C ATOM 66 O LEU A 6 67.125 -20.521 -3.925 1.00 0.00 O ATOM 67 CB LEU A 6 64.312 -22.242 -3.843 1.00 0.00 C ATOM 68 CG LEU A 6 63.509 -23.446 -3.346 1.00 0.00 C ATOM 69 CD1 LEU A 6 62.076 -23.038 -3.042 1.00 0.00 C ATOM 70 CD2 LEU A 6 63.537 -24.572 -4.370 1.00 0.00 C ATOM 0 H LEU A 6 66.006 -22.567 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 6 65.885 -23.318 -4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.225 -21.441 -3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 6 63.859 -21.880 -4.766 1.00 0.00 H new ATOM 0 HG LEU A 6 63.969 -23.809 -2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 6 61.518 -23.905 -2.690 1.00 0.00 H new ATOM 0 HD12 LEU A 6 62.073 -22.267 -2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 6 61.609 -22.649 -3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 6 62.960 -25.418 -3.996 1.00 0.00 H new ATOM 0 HD22 LEU A 6 63.103 -24.223 -5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 6 64.568 -24.883 -4.541 1.00 0.00 H new ATOM 82 N PRO A 7 66.336 -21.005 -5.980 1.00 0.00 N ATOM 83 CA PRO A 7 66.919 -19.823 -6.623 1.00 0.00 C ATOM 84 C PRO A 7 66.401 -18.520 -6.017 1.00 0.00 C ATOM 85 O PRO A 7 65.284 -18.085 -6.305 1.00 0.00 O ATOM 86 CB PRO A 7 66.484 -19.948 -8.090 1.00 0.00 C ATOM 87 CG PRO A 7 65.340 -20.907 -8.078 1.00 0.00 C ATOM 88 CD PRO A 7 65.614 -21.851 -6.943 1.00 0.00 C ATOM 0 HA PRO A 7 68.001 -19.786 -6.495 1.00 0.00 H new ATOM 0 HB2 PRO A 7 66.184 -18.982 -8.496 1.00 0.00 H new ATOM 0 HB3 PRO A 7 67.300 -20.316 -8.713 1.00 0.00 H new ATOM 0 HG2 PRO A 7 64.394 -20.386 -7.934 1.00 0.00 H new ATOM 0 HG3 PRO A 7 65.268 -21.443 -9.024 1.00 0.00 H new ATOM 0 HD2 PRO A 7 64.693 -22.251 -6.519 1.00 0.00 H new ATOM 0 HD3 PRO A 7 66.214 -22.703 -7.262 1.00 0.00 H new ATOM 96 N LYS A 8 67.205 -17.925 -5.149 1.00 0.00 N ATOM 97 CA LYS A 8 66.842 -16.672 -4.510 1.00 0.00 C ATOM 98 C LYS A 8 67.332 -15.494 -5.332 1.00 0.00 C ATOM 99 O LYS A 8 68.461 -15.493 -5.822 1.00 0.00 O ATOM 100 CB LYS A 8 67.431 -16.585 -3.098 1.00 0.00 C ATOM 101 CG LYS A 8 67.047 -15.304 -2.370 1.00 0.00 C ATOM 102 CD LYS A 8 67.798 -15.148 -1.057 1.00 0.00 C ATOM 103 CE LYS A 8 67.358 -13.898 -0.309 1.00 0.00 C ATOM 104 NZ LYS A 8 67.671 -12.646 -1.051 1.00 0.00 N ATOM 0 H LYS A 8 68.115 -18.292 -4.871 1.00 0.00 H new ATOM 0 HA LYS A 8 65.755 -16.638 -4.442 1.00 0.00 H new ATOM 0 HB2 LYS A 8 67.093 -17.442 -2.516 1.00 0.00 H new ATOM 0 HB3 LYS A 8 68.517 -16.650 -3.159 1.00 0.00 H new ATOM 0 HG2 LYS A 8 67.255 -14.447 -3.010 1.00 0.00 H new ATOM 0 HG3 LYS A 8 65.974 -15.305 -2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 8 67.628 -16.025 -0.433 1.00 0.00 H new ATOM 0 HD3 LYS A 8 68.869 -15.098 -1.253 1.00 0.00 H new ATOM 0 HE2 LYS A 8 66.285 -13.948 -0.125 1.00 0.00 H new ATOM 0 HE3 LYS A 8 67.847 -13.871 0.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 67.336 -11.826 -0.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 68.699 -12.572 -1.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 67.197 -12.663 -1.977 1.00 0.00 H new ATOM 118 N TYR A 9 66.474 -14.506 -5.491 1.00 0.00 N ATOM 119 CA TYR A 9 66.852 -13.275 -6.151 1.00 0.00 C ATOM 120 C TYR A 9 66.736 -12.115 -5.167 1.00 0.00 C ATOM 121 O TYR A 9 66.499 -12.328 -3.973 1.00 0.00 O ATOM 122 CB TYR A 9 65.979 -13.039 -7.387 1.00 0.00 C ATOM 123 CG TYR A 9 66.100 -14.137 -8.418 1.00 0.00 C ATOM 124 CD1 TYR A 9 67.259 -14.281 -9.171 1.00 0.00 C ATOM 125 CD2 TYR A 9 65.064 -15.037 -8.628 1.00 0.00 C ATOM 126 CE1 TYR A 9 67.380 -15.290 -10.106 1.00 0.00 C ATOM 127 CE2 TYR A 9 65.179 -16.052 -9.560 1.00 0.00 C ATOM 128 CZ TYR A 9 66.339 -16.172 -10.297 1.00 0.00 C ATOM 129 OH TYR A 9 66.462 -17.184 -11.224 1.00 0.00 O ATOM 0 H TYR A 9 65.506 -14.533 -5.170 1.00 0.00 H new ATOM 0 HA TYR A 9 67.887 -13.348 -6.486 1.00 0.00 H new ATOM 0 HB2 TYR A 9 64.937 -12.953 -7.077 1.00 0.00 H new ATOM 0 HB3 TYR A 9 66.255 -12.089 -7.843 1.00 0.00 H new ATOM 0 HD1 TYR A 9 68.078 -13.593 -9.023 1.00 0.00 H new ATOM 0 HD2 TYR A 9 64.154 -14.943 -8.054 1.00 0.00 H new ATOM 0 HE1 TYR A 9 68.287 -15.387 -10.685 1.00 0.00 H new ATOM 0 HE2 TYR A 9 64.366 -16.747 -9.710 1.00 0.00 H new ATOM 0 HH TYR A 9 65.641 -17.718 -11.236 1.00 0.00 H new ATOM 139 N TRP A 10 66.911 -10.902 -5.657 1.00 0.00 N ATOM 140 CA TRP A 10 66.859 -9.727 -4.803 1.00 0.00 C ATOM 141 C TRP A 10 65.517 -9.023 -4.941 1.00 0.00 C ATOM 142 O TRP A 10 64.965 -8.923 -6.039 1.00 0.00 O ATOM 143 CB TRP A 10 68.004 -8.772 -5.143 1.00 0.00 C ATOM 144 CG TRP A 10 69.358 -9.377 -4.914 1.00 0.00 C ATOM 145 CD1 TRP A 10 70.050 -9.417 -3.737 1.00 0.00 C ATOM 146 CD2 TRP A 10 70.181 -10.035 -5.885 1.00 0.00 C ATOM 147 NE1 TRP A 10 71.252 -10.057 -3.918 1.00 0.00 N ATOM 148 CE2 TRP A 10 71.356 -10.444 -5.226 1.00 0.00 C ATOM 149 CE3 TRP A 10 70.040 -10.315 -7.247 1.00 0.00 C ATOM 150 CZ2 TRP A 10 72.382 -11.120 -5.881 1.00 0.00 C ATOM 151 CZ3 TRP A 10 71.059 -10.986 -7.898 1.00 0.00 C ATOM 152 CH2 TRP A 10 72.218 -11.380 -7.215 1.00 0.00 C ATOM 0 H TRP A 10 67.090 -10.703 -6.641 1.00 0.00 H new ATOM 0 HA TRP A 10 66.971 -10.048 -3.767 1.00 0.00 H new ATOM 0 HB2 TRP A 10 67.919 -8.468 -6.186 1.00 0.00 H new ATOM 0 HB3 TRP A 10 67.908 -7.869 -4.540 1.00 0.00 H new ATOM 0 HD1 TRP A 10 69.703 -9.006 -2.801 1.00 0.00 H new ATOM 0 HE1 TRP A 10 71.953 -10.218 -3.195 1.00 0.00 H new ATOM 0 HE3 TRP A 10 69.151 -10.013 -7.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 73.274 -11.428 -5.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 70.960 -11.210 -8.950 1.00 0.00 H new ATOM 0 HH2 TRP A 10 72.998 -11.899 -7.752 1.00 0.00 H new ATOM 163 N SER A 11 64.991 -8.554 -3.821 1.00 0.00 N ATOM 164 CA SER A 11 63.706 -7.876 -3.795 1.00 0.00 C ATOM 165 C SER A 11 63.873 -6.410 -4.186 1.00 0.00 C ATOM 166 O SER A 11 63.042 -5.847 -4.899 1.00 0.00 O ATOM 167 CB SER A 11 63.090 -7.989 -2.394 1.00 0.00 C ATOM 168 OG SER A 11 61.737 -7.562 -2.377 1.00 0.00 O ATOM 0 H SER A 11 65.441 -8.632 -2.909 1.00 0.00 H new ATOM 0 HA SER A 11 63.039 -8.350 -4.515 1.00 0.00 H new ATOM 0 HB2 SER A 11 63.149 -9.023 -2.053 1.00 0.00 H new ATOM 0 HB3 SER A 11 63.669 -7.389 -1.693 1.00 0.00 H new ATOM 0 HG SER A 11 61.378 -7.650 -1.469 1.00 0.00 H new ATOM 174 N TYR A 12 64.967 -5.803 -3.731 1.00 0.00 N ATOM 175 CA TYR A 12 65.214 -4.389 -3.983 1.00 0.00 C ATOM 176 C TYR A 12 66.198 -4.212 -5.134 1.00 0.00 C ATOM 177 O TYR A 12 67.254 -4.845 -5.154 1.00 0.00 O ATOM 178 CB TYR A 12 65.764 -3.709 -2.728 1.00 0.00 C ATOM 179 CG TYR A 12 64.872 -3.847 -1.515 1.00 0.00 C ATOM 180 CD1 TYR A 12 63.537 -3.464 -1.563 1.00 0.00 C ATOM 181 CD2 TYR A 12 65.365 -4.358 -0.322 1.00 0.00 C ATOM 182 CE1 TYR A 12 62.723 -3.583 -0.455 1.00 0.00 C ATOM 183 CE2 TYR A 12 64.555 -4.481 0.788 1.00 0.00 C ATOM 184 CZ TYR A 12 63.238 -4.095 0.716 1.00 0.00 C ATOM 185 OH TYR A 12 62.433 -4.212 1.825 1.00 0.00 O ATOM 0 H TYR A 12 65.694 -6.269 -3.187 1.00 0.00 H new ATOM 0 HA TYR A 12 64.266 -3.924 -4.254 1.00 0.00 H new ATOM 0 HB2 TYR A 12 66.742 -4.131 -2.497 1.00 0.00 H new ATOM 0 HB3 TYR A 12 65.915 -2.650 -2.937 1.00 0.00 H new ATOM 0 HD1 TYR A 12 63.130 -3.067 -2.481 1.00 0.00 H new ATOM 0 HD2 TYR A 12 66.399 -4.664 -0.262 1.00 0.00 H new ATOM 0 HE1 TYR A 12 61.689 -3.277 -0.505 1.00 0.00 H new ATOM 0 HE2 TYR A 12 64.954 -4.879 1.709 1.00 0.00 H new ATOM 0 HH TYR A 12 62.784 -3.648 2.545 1.00 0.00 H new ATOM 195 N PRO A 13 65.865 -3.354 -6.110 1.00 0.00 N ATOM 196 CA PRO A 13 66.740 -3.064 -7.251 1.00 0.00 C ATOM 197 C PRO A 13 67.909 -2.154 -6.874 1.00 0.00 C ATOM 198 O PRO A 13 67.881 -1.479 -5.843 1.00 0.00 O ATOM 199 CB PRO A 13 65.821 -2.343 -8.252 1.00 0.00 C ATOM 200 CG PRO A 13 64.442 -2.422 -7.680 1.00 0.00 C ATOM 201 CD PRO A 13 64.606 -2.604 -6.201 1.00 0.00 C ATOM 0 HA PRO A 13 67.191 -3.975 -7.644 1.00 0.00 H new ATOM 0 HB2 PRO A 13 66.128 -1.306 -8.386 1.00 0.00 H new ATOM 0 HB3 PRO A 13 65.864 -2.818 -9.232 1.00 0.00 H new ATOM 0 HG2 PRO A 13 63.878 -1.515 -7.899 1.00 0.00 H new ATOM 0 HG3 PRO A 13 63.889 -3.254 -8.115 1.00 0.00 H new ATOM 0 HD2 PRO A 13 64.664 -1.649 -5.679 1.00 0.00 H new ATOM 0 HD3 PRO A 13 63.773 -3.155 -5.765 1.00 0.00 H new ATOM 209 N VAL A 14 68.937 -2.143 -7.713 1.00 0.00 N ATOM 210 CA VAL A 14 70.077 -1.255 -7.517 1.00 0.00 C ATOM 211 C VAL A 14 69.668 0.185 -7.816 1.00 0.00 C ATOM 212 O VAL A 14 68.908 0.442 -8.753 1.00 0.00 O ATOM 213 CB VAL A 14 71.271 -1.649 -8.421 1.00 0.00 C ATOM 214 CG1 VAL A 14 72.454 -0.720 -8.197 1.00 0.00 C ATOM 215 CG2 VAL A 14 71.683 -3.090 -8.174 1.00 0.00 C ATOM 0 H VAL A 14 69.005 -2.740 -8.537 1.00 0.00 H new ATOM 0 HA VAL A 14 70.394 -1.346 -6.478 1.00 0.00 H new ATOM 0 HB VAL A 14 70.948 -1.552 -9.458 1.00 0.00 H new ATOM 0 HG11 VAL A 14 73.279 -1.019 -8.844 1.00 0.00 H new ATOM 0 HG12 VAL A 14 72.162 0.304 -8.431 1.00 0.00 H new ATOM 0 HG13 VAL A 14 72.770 -0.778 -7.156 1.00 0.00 H new ATOM 0 HG21 VAL A 14 72.523 -3.344 -8.820 1.00 0.00 H new ATOM 0 HG22 VAL A 14 71.977 -3.211 -7.131 1.00 0.00 H new ATOM 0 HG23 VAL A 14 70.844 -3.751 -8.393 1.00 0.00 H new ATOM 225 N GLY A 15 70.146 1.116 -7.003 1.00 0.00 N ATOM 226 CA GLY A 15 69.807 2.511 -7.194 1.00 0.00 C ATOM 227 C GLY A 15 68.712 2.962 -6.252 1.00 0.00 C ATOM 228 O GLY A 15 68.470 4.158 -6.093 1.00 0.00 O ATOM 0 H GLY A 15 70.764 0.929 -6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 15 70.695 3.124 -7.038 1.00 0.00 H new ATOM 0 HA3 GLY A 15 69.487 2.669 -8.224 1.00 0.00 H new ATOM 232 N LEU A 16 68.064 2.004 -5.612 1.00 0.00 N ATOM 233 CA LEU A 16 66.984 2.305 -4.690 1.00 0.00 C ATOM 234 C LEU A 16 67.535 2.869 -3.383 1.00 0.00 C ATOM 235 O LEU A 16 68.361 2.236 -2.719 1.00 0.00 O ATOM 236 CB LEU A 16 66.160 1.046 -4.415 1.00 0.00 C ATOM 237 CG LEU A 16 64.937 1.247 -3.515 1.00 0.00 C ATOM 238 CD1 LEU A 16 63.940 2.202 -4.158 1.00 0.00 C ATOM 239 CD2 LEU A 16 64.273 -0.085 -3.220 1.00 0.00 C ATOM 0 H LEU A 16 68.268 1.010 -5.715 1.00 0.00 H new ATOM 0 HA LEU A 16 66.340 3.057 -5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 16 65.826 0.635 -5.368 1.00 0.00 H new ATOM 0 HB3 LEU A 16 66.809 0.300 -3.957 1.00 0.00 H new ATOM 0 HG LEU A 16 65.275 1.687 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 16 63.081 2.328 -3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 16 64.416 3.169 -4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 16 63.609 1.794 -5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 16 63.406 0.075 -2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 16 63.954 -0.547 -4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 16 64.982 -0.741 -2.714 1.00 0.00 H new ATOM 251 N ALA A 17 67.106 4.077 -3.044 1.00 0.00 N ATOM 252 CA ALA A 17 67.461 4.688 -1.775 1.00 0.00 C ATOM 253 C ALA A 17 66.607 4.103 -0.655 1.00 0.00 C ATOM 254 O ALA A 17 65.374 4.127 -0.715 1.00 0.00 O ATOM 255 CB ALA A 17 67.300 6.201 -1.848 1.00 0.00 C ATOM 0 H ALA A 17 66.508 4.654 -3.635 1.00 0.00 H new ATOM 0 HA ALA A 17 68.507 4.471 -1.560 1.00 0.00 H new ATOM 0 HB1 ALA A 17 67.570 6.642 -0.889 1.00 0.00 H new ATOM 0 HB2 ALA A 17 67.951 6.599 -2.627 1.00 0.00 H new ATOM 0 HB3 ALA A 17 66.264 6.446 -2.081 1.00 0.00 H new ATOM 261 N VAL A 18 67.270 3.563 0.354 1.00 0.00 N ATOM 262 CA VAL A 18 66.592 2.919 1.463 1.00 0.00 C ATOM 263 C VAL A 18 67.198 3.381 2.782 1.00 0.00 C ATOM 264 O VAL A 18 68.359 3.789 2.830 1.00 0.00 O ATOM 265 CB VAL A 18 66.689 1.374 1.376 1.00 0.00 C ATOM 266 CG1 VAL A 18 66.060 0.853 0.092 1.00 0.00 C ATOM 267 CG2 VAL A 18 68.136 0.912 1.483 1.00 0.00 C ATOM 0 H VAL A 18 68.287 3.559 0.426 1.00 0.00 H new ATOM 0 HA VAL A 18 65.540 3.201 1.412 1.00 0.00 H new ATOM 0 HB VAL A 18 66.132 0.962 2.218 1.00 0.00 H new ATOM 0 HG11 VAL A 18 66.144 -0.233 0.060 1.00 0.00 H new ATOM 0 HG12 VAL A 18 65.008 1.137 0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 18 66.577 1.282 -0.766 1.00 0.00 H new ATOM 0 HG21 VAL A 18 68.176 -0.175 1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 18 68.717 1.345 0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 18 68.551 1.235 2.438 1.00 0.00 H new ATOM 277 N GLU A 19 66.414 3.338 3.844 1.00 0.00 N ATOM 278 CA GLU A 19 66.940 3.639 5.163 1.00 0.00 C ATOM 279 C GLU A 19 67.194 2.350 5.938 1.00 0.00 C ATOM 280 O GLU A 19 66.416 1.391 5.856 1.00 0.00 O ATOM 281 CB GLU A 19 66.015 4.586 5.937 1.00 0.00 C ATOM 282 CG GLU A 19 64.566 4.139 6.016 1.00 0.00 C ATOM 283 CD GLU A 19 63.719 5.113 6.811 1.00 0.00 C ATOM 284 OE1 GLU A 19 63.565 6.275 6.367 1.00 0.00 O ATOM 285 OE2 GLU A 19 63.214 4.735 7.890 1.00 0.00 O ATOM 0 H GLU A 19 65.422 3.101 3.821 1.00 0.00 H new ATOM 0 HA GLU A 19 67.891 4.157 5.039 1.00 0.00 H new ATOM 0 HB2 GLU A 19 66.401 4.700 6.950 1.00 0.00 H new ATOM 0 HB3 GLU A 19 66.052 5.570 5.469 1.00 0.00 H new ATOM 0 HG2 GLU A 19 64.160 4.042 5.009 1.00 0.00 H new ATOM 0 HG3 GLU A 19 64.515 3.152 6.477 1.00 0.00 H new ATOM 292 N ILE A 20 68.308 2.329 6.652 1.00 0.00 N ATOM 293 CA ILE A 20 68.740 1.160 7.402 1.00 0.00 C ATOM 294 C ILE A 20 68.031 1.088 8.760 1.00 0.00 C ATOM 295 O ILE A 20 67.946 2.088 9.474 1.00 0.00 O ATOM 296 CB ILE A 20 70.283 1.182 7.595 1.00 0.00 C ATOM 297 CG1 ILE A 20 71.007 0.777 6.304 1.00 0.00 C ATOM 298 CG2 ILE A 20 70.720 0.287 8.744 1.00 0.00 C ATOM 299 CD1 ILE A 20 70.932 1.805 5.193 1.00 0.00 C ATOM 0 H ILE A 20 68.941 3.125 6.728 1.00 0.00 H new ATOM 0 HA ILE A 20 68.471 0.271 6.832 1.00 0.00 H new ATOM 0 HB ILE A 20 70.559 2.207 7.843 1.00 0.00 H new ATOM 0 HG12 ILE A 20 72.055 0.586 6.535 1.00 0.00 H new ATOM 0 HG13 ILE A 20 70.584 -0.161 5.944 1.00 0.00 H new ATOM 0 HG21 ILE A 20 71.804 0.330 8.846 1.00 0.00 H new ATOM 0 HG22 ILE A 20 70.254 0.628 9.669 1.00 0.00 H new ATOM 0 HG23 ILE A 20 70.415 -0.740 8.542 1.00 0.00 H new ATOM 0 HD11 ILE A 20 71.470 1.437 4.319 1.00 0.00 H new ATOM 0 HD12 ILE A 20 69.889 1.981 4.930 1.00 0.00 H new ATOM 0 HD13 ILE A 20 71.383 2.738 5.530 1.00 0.00 H new ATOM 311 N ASN A 21 67.555 -0.104 9.124 1.00 0.00 N ATOM 312 CA ASN A 21 66.768 -0.288 10.326 1.00 0.00 C ATOM 313 C ASN A 21 67.485 -1.283 11.197 1.00 0.00 C ATOM 314 O ASN A 21 66.851 -1.992 11.972 1.00 0.00 O ATOM 315 CB ASN A 21 65.375 -0.846 9.997 1.00 0.00 C ATOM 316 CG ASN A 21 64.557 0.034 9.076 1.00 0.00 C ATOM 317 OD1 ASN A 21 63.765 0.862 9.522 1.00 0.00 O ATOM 318 ND2 ASN A 21 64.738 -0.152 7.780 1.00 0.00 N ATOM 0 H ASN A 21 67.708 -0.960 8.591 1.00 0.00 H new ATOM 0 HA ASN A 21 66.647 0.674 10.824 1.00 0.00 H new ATOM 0 HB2 ASN A 21 65.488 -1.828 9.537 1.00 0.00 H new ATOM 0 HB3 ASN A 21 64.825 -0.991 10.927 1.00 0.00 H new ATOM 0 HD21 ASN A 21 64.210 0.403 7.106 1.00 0.00 H new ATOM 0 HD22 ASN A 21 65.406 -0.850 7.453 1.00 0.00 H new ATOM 325 N ASN A 22 68.810 -1.319 11.042 1.00 0.00 N ATOM 326 CA ASN A 22 69.659 -2.322 11.681 1.00 0.00 C ATOM 327 C ASN A 22 69.434 -2.351 13.180 1.00 0.00 C ATOM 328 O ASN A 22 70.052 -1.599 13.938 1.00 0.00 O ATOM 329 CB ASN A 22 71.138 -2.072 11.370 1.00 0.00 C ATOM 330 CG ASN A 22 72.050 -3.165 11.910 1.00 0.00 C ATOM 331 OD1 ASN A 22 73.196 -2.899 12.286 1.00 0.00 O ATOM 332 ND2 ASN A 22 71.565 -4.404 11.936 1.00 0.00 N ATOM 0 H ASN A 22 69.324 -0.651 10.468 1.00 0.00 H new ATOM 0 HA ASN A 22 69.383 -3.294 11.273 1.00 0.00 H new ATOM 0 HB2 ASN A 22 71.269 -1.997 10.291 1.00 0.00 H new ATOM 0 HB3 ASN A 22 71.437 -1.114 11.795 1.00 0.00 H new ATOM 0 HD21 ASN A 22 72.145 -5.172 12.275 1.00 0.00 H new ATOM 0 HD22 ASN A 22 70.613 -4.586 11.617 1.00 0.00 H new ATOM 339 N ASN A 23 68.476 -3.181 13.561 1.00 0.00 N ATOM 340 CA ASN A 23 68.122 -3.422 14.966 1.00 0.00 C ATOM 341 C ASN A 23 67.322 -2.238 15.521 1.00 0.00 C ATOM 342 O ASN A 23 67.013 -2.175 16.707 1.00 0.00 O ATOM 343 CB ASN A 23 69.384 -3.671 15.817 1.00 0.00 C ATOM 344 CG ASN A 23 69.083 -4.216 17.205 1.00 0.00 C ATOM 345 OD1 ASN A 23 69.751 -3.873 18.183 1.00 0.00 O ATOM 346 ND2 ASN A 23 68.094 -5.090 17.304 1.00 0.00 N ATOM 0 H ASN A 23 67.911 -3.716 12.902 1.00 0.00 H new ATOM 0 HA ASN A 23 67.502 -4.317 15.015 1.00 0.00 H new ATOM 0 HB2 ASN A 23 70.033 -4.372 15.293 1.00 0.00 H new ATOM 0 HB3 ASN A 23 69.937 -2.737 15.914 1.00 0.00 H new ATOM 0 HD21 ASN A 23 67.865 -5.501 18.209 1.00 0.00 H new ATOM 0 HD22 ASN A 23 67.561 -5.353 16.475 1.00 0.00 H new ATOM 353 N ALA A 24 66.962 -1.313 14.639 1.00 0.00 N ATOM 354 CA ALA A 24 66.280 -0.085 15.035 1.00 0.00 C ATOM 355 C ALA A 24 64.812 -0.321 15.363 1.00 0.00 C ATOM 356 O ALA A 24 64.373 -0.100 16.489 1.00 0.00 O ATOM 357 CB ALA A 24 66.400 0.961 13.939 1.00 0.00 C ATOM 0 H ALA A 24 67.133 -1.391 13.636 1.00 0.00 H new ATOM 0 HA ALA A 24 66.767 0.274 15.941 1.00 0.00 H new ATOM 0 HB1 ALA A 24 65.887 1.872 14.248 1.00 0.00 H new ATOM 0 HB2 ALA A 24 67.452 1.181 13.759 1.00 0.00 H new ATOM 0 HB3 ALA A 24 65.947 0.582 13.023 1.00 0.00 H new ATOM 363 N ARG A 25 64.056 -0.795 14.382 1.00 0.00 N ATOM 364 CA ARG A 25 62.610 -0.956 14.535 1.00 0.00 C ATOM 365 C ARG A 25 62.286 -2.248 15.299 1.00 0.00 C ATOM 366 O ARG A 25 61.142 -2.703 15.338 1.00 0.00 O ATOM 367 CB ARG A 25 61.948 -0.940 13.149 1.00 0.00 C ATOM 368 CG ARG A 25 60.423 -0.964 13.162 1.00 0.00 C ATOM 369 CD ARG A 25 59.833 0.156 12.315 1.00 0.00 C ATOM 370 NE ARG A 25 60.599 0.382 11.088 1.00 0.00 N ATOM 371 CZ ARG A 25 60.199 0.029 9.867 1.00 0.00 C ATOM 372 NH1 ARG A 25 59.020 -0.559 9.689 1.00 0.00 N ATOM 373 NH2 ARG A 25 60.980 0.273 8.819 1.00 0.00 N ATOM 0 H ARG A 25 64.417 -1.076 13.470 1.00 0.00 H new ATOM 0 HA ARG A 25 62.212 -0.127 15.120 1.00 0.00 H new ATOM 0 HB2 ARG A 25 62.278 -0.048 12.616 1.00 0.00 H new ATOM 0 HB3 ARG A 25 62.305 -1.800 12.583 1.00 0.00 H new ATOM 0 HG2 ARG A 25 60.071 -1.926 12.789 1.00 0.00 H new ATOM 0 HG3 ARG A 25 60.067 -0.870 14.188 1.00 0.00 H new ATOM 0 HD2 ARG A 25 58.802 -0.089 12.058 1.00 0.00 H new ATOM 0 HD3 ARG A 25 59.806 1.076 12.899 1.00 0.00 H new ATOM 0 HE ARG A 25 61.505 0.843 11.174 1.00 0.00 H new ATOM 0 HH11 ARG A 25 58.416 -0.742 10.490 1.00 0.00 H new ATOM 0 HH12 ARG A 25 58.720 -0.827 8.752 1.00 0.00 H new ATOM 0 HH21 ARG A 25 61.883 0.729 8.951 1.00 0.00 H new ATOM 0 HH22 ARG A 25 60.676 0.004 7.883 1.00 0.00 H new ATOM 387 N TYR A 26 63.311 -2.824 15.913 1.00 0.00 N ATOM 388 CA TYR A 26 63.163 -4.017 16.726 1.00 0.00 C ATOM 389 C TYR A 26 64.440 -4.247 17.526 1.00 0.00 C ATOM 390 O TYR A 26 65.315 -5.005 17.109 1.00 0.00 O ATOM 391 CB TYR A 26 62.840 -5.235 15.850 1.00 0.00 C ATOM 392 CG TYR A 26 62.591 -6.507 16.627 1.00 0.00 C ATOM 393 CD1 TYR A 26 61.635 -6.553 17.633 1.00 0.00 C ATOM 394 CD2 TYR A 26 63.314 -7.658 16.356 1.00 0.00 C ATOM 395 CE1 TYR A 26 61.408 -7.711 18.346 1.00 0.00 C ATOM 396 CE2 TYR A 26 63.094 -8.822 17.066 1.00 0.00 C ATOM 397 CZ TYR A 26 62.140 -8.842 18.059 1.00 0.00 C ATOM 398 OH TYR A 26 61.915 -9.997 18.770 1.00 0.00 O ATOM 0 H TYR A 26 64.268 -2.475 15.859 1.00 0.00 H new ATOM 0 HA TYR A 26 62.332 -3.877 17.417 1.00 0.00 H new ATOM 0 HB2 TYR A 26 61.959 -5.012 15.247 1.00 0.00 H new ATOM 0 HB3 TYR A 26 63.666 -5.401 15.158 1.00 0.00 H new ATOM 0 HD1 TYR A 26 61.060 -5.668 17.861 1.00 0.00 H new ATOM 0 HD2 TYR A 26 64.062 -7.644 15.577 1.00 0.00 H new ATOM 0 HE1 TYR A 26 60.660 -7.731 19.125 1.00 0.00 H new ATOM 0 HE2 TYR A 26 63.666 -9.711 16.844 1.00 0.00 H new ATOM 0 HH TYR A 26 62.512 -10.703 18.445 1.00 0.00 H new ATOM 408 N GLY A 27 64.559 -3.550 18.648 1.00 0.00 N ATOM 409 CA GLY A 27 65.732 -3.684 19.489 1.00 0.00 C ATOM 410 C GLY A 27 66.169 -2.361 20.090 1.00 0.00 C ATOM 411 O GLY A 27 66.095 -2.171 21.304 1.00 0.00 O ATOM 0 H GLY A 27 63.860 -2.891 18.992 1.00 0.00 H new ATOM 0 HA2 GLY A 27 65.522 -4.392 20.291 1.00 0.00 H new ATOM 0 HA3 GLY A 27 66.550 -4.101 18.902 1.00 0.00 H new ATOM 415 N CYS A 28 66.618 -1.448 19.241 1.00 0.00 N ATOM 416 CA CYS A 28 67.091 -0.143 19.679 1.00 0.00 C ATOM 417 C CYS A 28 66.569 0.931 18.738 1.00 0.00 C ATOM 418 O CYS A 28 67.139 1.166 17.672 1.00 0.00 O ATOM 419 CB CYS A 28 68.622 -0.105 19.710 1.00 0.00 C ATOM 420 SG CYS A 28 69.370 -1.342 20.795 1.00 0.00 S ATOM 0 H CYS A 28 66.665 -1.590 18.232 1.00 0.00 H new ATOM 0 HA CYS A 28 66.720 0.042 20.687 1.00 0.00 H new ATOM 0 HB2 CYS A 28 68.999 -0.250 18.698 1.00 0.00 H new ATOM 0 HB3 CYS A 28 68.944 0.886 20.031 1.00 0.00 H new ATOM 0 HG CYS A 28 70.665 -1.231 20.751 1.00 0.00 H new ATOM 426 N PRO A 29 65.477 1.606 19.121 1.00 0.00 N ATOM 427 CA PRO A 29 64.799 2.568 18.254 1.00 0.00 C ATOM 428 C PRO A 29 65.488 3.927 18.220 1.00 0.00 C ATOM 429 O PRO A 29 64.854 4.964 18.020 1.00 0.00 O ATOM 430 CB PRO A 29 63.412 2.657 18.884 1.00 0.00 C ATOM 431 CG PRO A 29 63.649 2.435 20.337 1.00 0.00 C ATOM 432 CD PRO A 29 64.807 1.478 20.432 1.00 0.00 C ATOM 0 HA PRO A 29 64.792 2.258 17.209 1.00 0.00 H new ATOM 0 HB2 PRO A 29 62.954 3.629 18.700 1.00 0.00 H new ATOM 0 HB3 PRO A 29 62.740 1.905 18.472 1.00 0.00 H new ATOM 0 HG2 PRO A 29 63.877 3.374 20.842 1.00 0.00 H new ATOM 0 HG3 PRO A 29 62.762 2.022 20.817 1.00 0.00 H new ATOM 0 HD2 PRO A 29 65.477 1.740 21.251 1.00 0.00 H new ATOM 0 HD3 PRO A 29 64.469 0.457 20.611 1.00 0.00 H new ATOM 440 N HIS A 30 66.796 3.890 18.376 1.00 0.00 N ATOM 441 CA HIS A 30 67.636 5.074 18.301 1.00 0.00 C ATOM 442 C HIS A 30 69.091 4.671 18.481 1.00 0.00 C ATOM 443 O HIS A 30 69.572 4.538 19.605 1.00 0.00 O ATOM 444 CB HIS A 30 67.254 6.124 19.353 1.00 0.00 C ATOM 445 CG HIS A 30 67.868 7.470 19.100 1.00 0.00 C ATOM 446 ND1 HIS A 30 67.126 8.584 18.769 1.00 0.00 N ATOM 447 CD2 HIS A 30 69.161 7.881 19.123 1.00 0.00 C ATOM 448 CE1 HIS A 30 67.932 9.615 18.599 1.00 0.00 C ATOM 449 NE2 HIS A 30 69.170 9.218 18.808 1.00 0.00 N ATOM 0 H HIS A 30 67.313 3.030 18.560 1.00 0.00 H new ATOM 0 HA HIS A 30 67.487 5.527 17.321 1.00 0.00 H new ATOM 0 HB2 HIS A 30 66.169 6.226 19.377 1.00 0.00 H new ATOM 0 HB3 HIS A 30 67.563 5.771 20.337 1.00 0.00 H new ATOM 0 HD2 HIS A 30 70.023 7.270 19.347 1.00 0.00 H new ATOM 0 HE1 HIS A 30 67.627 10.616 18.333 1.00 0.00 H new ATOM 0 HE2 HIS A 30 70.000 9.807 18.746 1.00 0.00 H new ATOM 458 N HIS A 31 69.774 4.460 17.369 1.00 0.00 N ATOM 459 CA HIS A 31 71.175 4.049 17.385 1.00 0.00 C ATOM 460 C HIS A 31 71.725 4.091 15.972 1.00 0.00 C ATOM 461 O HIS A 31 72.845 4.538 15.731 1.00 0.00 O ATOM 462 CB HIS A 31 71.324 2.637 17.961 1.00 0.00 C ATOM 463 CG HIS A 31 72.735 2.291 18.338 1.00 0.00 C ATOM 464 ND1 HIS A 31 73.343 2.775 19.472 1.00 0.00 N ATOM 465 CD2 HIS A 31 73.656 1.508 17.726 1.00 0.00 C ATOM 466 CE1 HIS A 31 74.574 2.312 19.544 1.00 0.00 C ATOM 467 NE2 HIS A 31 74.793 1.537 18.498 1.00 0.00 N ATOM 0 H HIS A 31 69.380 4.567 16.434 1.00 0.00 H new ATOM 0 HA HIS A 31 71.735 4.735 18.020 1.00 0.00 H new ATOM 0 HB2 HIS A 31 70.688 2.543 18.841 1.00 0.00 H new ATOM 0 HB3 HIS A 31 70.964 1.914 17.229 1.00 0.00 H new ATOM 0 HD2 HIS A 31 73.522 0.963 16.803 1.00 0.00 H new ATOM 0 HE1 HIS A 31 75.285 2.530 20.327 1.00 0.00 H new ATOM 0 HE2 HIS A 31 75.662 1.042 18.296 1.00 0.00 H new ATOM 476 N VAL A 32 70.922 3.603 15.046 1.00 0.00 N ATOM 477 CA VAL A 32 71.227 3.706 13.633 1.00 0.00 C ATOM 478 C VAL A 32 70.328 4.754 12.998 1.00 0.00 C ATOM 479 O VAL A 32 69.850 5.665 13.676 1.00 0.00 O ATOM 480 CB VAL A 32 71.054 2.350 12.909 1.00 0.00 C ATOM 481 CG1 VAL A 32 72.124 1.367 13.354 1.00 0.00 C ATOM 482 CG2 VAL A 32 69.668 1.776 13.157 1.00 0.00 C ATOM 0 H VAL A 32 70.044 3.126 15.251 1.00 0.00 H new ATOM 0 HA VAL A 32 72.271 4.001 13.531 1.00 0.00 H new ATOM 0 HB VAL A 32 71.165 2.521 11.838 1.00 0.00 H new ATOM 0 HG11 VAL A 32 71.986 0.419 12.834 1.00 0.00 H new ATOM 0 HG12 VAL A 32 73.109 1.770 13.118 1.00 0.00 H new ATOM 0 HG13 VAL A 32 72.046 1.206 14.429 1.00 0.00 H new ATOM 0 HG21 VAL A 32 69.571 0.823 12.638 1.00 0.00 H new ATOM 0 HG22 VAL A 32 69.524 1.623 14.227 1.00 0.00 H new ATOM 0 HG23 VAL A 32 68.915 2.470 12.785 1.00 0.00 H new ATOM 492 N GLY A 33 70.102 4.628 11.709 1.00 0.00 N ATOM 493 CA GLY A 33 69.281 5.588 11.013 1.00 0.00 C ATOM 494 C GLY A 33 70.043 6.261 9.905 1.00 0.00 C ATOM 495 O GLY A 33 70.299 7.464 9.944 1.00 0.00 O ATOM 0 H GLY A 33 70.472 3.876 11.127 1.00 0.00 H new ATOM 0 HA2 GLY A 33 68.404 5.089 10.602 1.00 0.00 H new ATOM 0 HA3 GLY A 33 68.920 6.338 11.717 1.00 0.00 H new ATOM 499 N ARG A 34 70.446 5.469 8.937 1.00 0.00 N ATOM 500 CA ARG A 34 71.175 5.971 7.787 1.00 0.00 C ATOM 501 C ARG A 34 70.354 5.789 6.527 1.00 0.00 C ATOM 502 O ARG A 34 69.935 4.677 6.207 1.00 0.00 O ATOM 503 CB ARG A 34 72.524 5.254 7.629 1.00 0.00 C ATOM 504 CG ARG A 34 73.672 5.862 8.430 1.00 0.00 C ATOM 505 CD ARG A 34 73.481 5.706 9.926 1.00 0.00 C ATOM 506 NE ARG A 34 73.271 6.994 10.588 1.00 0.00 N ATOM 507 CZ ARG A 34 73.803 7.321 11.766 1.00 0.00 C ATOM 508 NH1 ARG A 34 74.571 6.453 12.414 1.00 0.00 N ATOM 509 NH2 ARG A 34 73.571 8.522 12.285 1.00 0.00 N ATOM 0 H ARG A 34 70.280 4.463 8.921 1.00 0.00 H new ATOM 0 HA ARG A 34 71.364 7.032 7.949 1.00 0.00 H new ATOM 0 HB2 ARG A 34 72.403 4.213 7.928 1.00 0.00 H new ATOM 0 HB3 ARG A 34 72.797 5.253 6.574 1.00 0.00 H new ATOM 0 HG2 ARG A 34 74.608 5.388 8.135 1.00 0.00 H new ATOM 0 HG3 ARG A 34 73.760 6.921 8.186 1.00 0.00 H new ATOM 0 HD2 ARG A 34 72.627 5.057 10.117 1.00 0.00 H new ATOM 0 HD3 ARG A 34 74.356 5.216 10.354 1.00 0.00 H new ATOM 0 HE ARG A 34 72.682 7.683 10.120 1.00 0.00 H new ATOM 0 HH11 ARG A 34 74.755 5.534 12.011 1.00 0.00 H new ATOM 0 HH12 ARG A 34 74.977 6.705 13.315 1.00 0.00 H new ATOM 0 HH21 ARG A 34 72.987 9.191 11.782 1.00 0.00 H new ATOM 0 HH22 ARG A 34 73.977 8.775 13.186 1.00 0.00 H new ATOM 523 N LYS A 35 70.096 6.885 5.837 1.00 0.00 N ATOM 524 CA LYS A 35 69.494 6.820 4.526 1.00 0.00 C ATOM 525 C LYS A 35 70.595 6.626 3.499 1.00 0.00 C ATOM 526 O LYS A 35 71.513 7.440 3.394 1.00 0.00 O ATOM 527 CB LYS A 35 68.690 8.086 4.229 1.00 0.00 C ATOM 528 CG LYS A 35 67.484 8.267 5.137 1.00 0.00 C ATOM 529 CD LYS A 35 66.767 9.571 4.846 1.00 0.00 C ATOM 530 CE LYS A 35 65.521 9.732 5.696 1.00 0.00 C ATOM 531 NZ LYS A 35 64.470 8.741 5.343 1.00 0.00 N ATOM 0 H LYS A 35 70.296 7.829 6.166 1.00 0.00 H new ATOM 0 HA LYS A 35 68.800 5.981 4.484 1.00 0.00 H new ATOM 0 HB2 LYS A 35 69.343 8.953 4.329 1.00 0.00 H new ATOM 0 HB3 LYS A 35 68.353 8.058 3.193 1.00 0.00 H new ATOM 0 HG2 LYS A 35 66.796 7.433 5.002 1.00 0.00 H new ATOM 0 HG3 LYS A 35 67.804 8.250 6.179 1.00 0.00 H new ATOM 0 HD2 LYS A 35 67.443 10.406 5.030 1.00 0.00 H new ATOM 0 HD3 LYS A 35 66.495 9.608 3.791 1.00 0.00 H new ATOM 0 HE2 LYS A 35 65.784 9.622 6.748 1.00 0.00 H new ATOM 0 HE3 LYS A 35 65.125 10.740 5.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 63.538 9.201 5.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 64.651 8.368 4.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 64.486 7.959 6.029 1.00 0.00 H new ATOM 545 N GLY A 36 70.527 5.528 2.779 1.00 0.00 N ATOM 546 CA GLY A 36 71.562 5.206 1.830 1.00 0.00 C ATOM 547 C GLY A 36 70.998 4.689 0.533 1.00 0.00 C ATOM 548 O GLY A 36 69.783 4.641 0.349 1.00 0.00 O ATOM 0 H GLY A 36 69.769 4.848 2.834 1.00 0.00 H new ATOM 0 HA2 GLY A 36 72.164 6.094 1.635 1.00 0.00 H new ATOM 0 HA3 GLY A 36 72.228 4.457 2.260 1.00 0.00 H new ATOM 552 N LYS A 37 71.873 4.291 -0.365 1.00 0.00 N ATOM 553 CA LYS A 37 71.445 3.770 -1.648 1.00 0.00 C ATOM 554 C LYS A 37 72.118 2.437 -1.928 1.00 0.00 C ATOM 555 O LYS A 37 73.331 2.295 -1.750 1.00 0.00 O ATOM 556 CB LYS A 37 71.754 4.770 -2.765 1.00 0.00 C ATOM 557 CG LYS A 37 71.193 4.362 -4.118 1.00 0.00 C ATOM 558 CD LYS A 37 71.514 5.388 -5.192 1.00 0.00 C ATOM 559 CE LYS A 37 70.869 6.732 -4.903 1.00 0.00 C ATOM 560 NZ LYS A 37 69.391 6.687 -5.049 1.00 0.00 N ATOM 0 H LYS A 37 72.884 4.318 -0.232 1.00 0.00 H new ATOM 0 HA LYS A 37 70.367 3.615 -1.615 1.00 0.00 H new ATOM 0 HB2 LYS A 37 71.349 5.744 -2.492 1.00 0.00 H new ATOM 0 HB3 LYS A 37 72.835 4.886 -2.849 1.00 0.00 H new ATOM 0 HG2 LYS A 37 71.603 3.394 -4.405 1.00 0.00 H new ATOM 0 HG3 LYS A 37 70.112 4.240 -4.042 1.00 0.00 H new ATOM 0 HD2 LYS A 37 72.595 5.512 -5.264 1.00 0.00 H new ATOM 0 HD3 LYS A 37 71.170 5.021 -6.159 1.00 0.00 H new ATOM 0 HE2 LYS A 37 71.123 7.045 -3.890 1.00 0.00 H new ATOM 0 HE3 LYS A 37 71.277 7.482 -5.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 69.111 7.202 -5.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 69.079 5.697 -5.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 68.947 7.130 -4.220 1.00 0.00 H new ATOM 574 N ILE A 38 71.322 1.460 -2.334 1.00 0.00 N ATOM 575 CA ILE A 38 71.842 0.148 -2.688 1.00 0.00 C ATOM 576 C ILE A 38 72.617 0.237 -3.996 1.00 0.00 C ATOM 577 O ILE A 38 72.043 0.538 -5.043 1.00 0.00 O ATOM 578 CB ILE A 38 70.705 -0.884 -2.832 1.00 0.00 C ATOM 579 CG1 ILE A 38 69.903 -0.963 -1.529 1.00 0.00 C ATOM 580 CG2 ILE A 38 71.268 -2.252 -3.200 1.00 0.00 C ATOM 581 CD1 ILE A 38 68.672 -1.840 -1.614 1.00 0.00 C ATOM 0 H ILE A 38 70.310 1.551 -2.427 1.00 0.00 H new ATOM 0 HA ILE A 38 72.504 -0.181 -1.887 1.00 0.00 H new ATOM 0 HB ILE A 38 70.039 -0.565 -3.634 1.00 0.00 H new ATOM 0 HG12 ILE A 38 70.551 -1.341 -0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 38 69.600 0.043 -1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 38 70.451 -2.967 -3.297 1.00 0.00 H new ATOM 0 HG22 ILE A 38 71.804 -2.182 -4.147 1.00 0.00 H new ATOM 0 HG23 ILE A 38 71.952 -2.586 -2.420 1.00 0.00 H new ATOM 0 HD11 ILE A 38 68.160 -1.843 -0.652 1.00 0.00 H new ATOM 0 HD12 ILE A 38 68.001 -1.452 -2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 38 68.967 -2.857 -1.871 1.00 0.00 H new ATOM 593 N ILE A 39 73.917 -0.011 -3.932 1.00 0.00 N ATOM 594 CA ILE A 39 74.777 0.136 -5.100 1.00 0.00 C ATOM 595 C ILE A 39 75.220 -1.216 -5.636 1.00 0.00 C ATOM 596 O ILE A 39 75.676 -1.323 -6.775 1.00 0.00 O ATOM 597 CB ILE A 39 76.030 0.981 -4.786 1.00 0.00 C ATOM 598 CG1 ILE A 39 76.805 0.375 -3.611 1.00 0.00 C ATOM 599 CG2 ILE A 39 75.631 2.421 -4.490 1.00 0.00 C ATOM 600 CD1 ILE A 39 78.182 0.972 -3.419 1.00 0.00 C ATOM 0 H ILE A 39 74.400 -0.314 -3.086 1.00 0.00 H new ATOM 0 HA ILE A 39 74.182 0.649 -5.856 1.00 0.00 H new ATOM 0 HB ILE A 39 76.684 0.978 -5.658 1.00 0.00 H new ATOM 0 HG12 ILE A 39 76.228 0.513 -2.697 1.00 0.00 H new ATOM 0 HG13 ILE A 39 76.903 -0.699 -3.767 1.00 0.00 H new ATOM 0 HG21 ILE A 39 76.523 3.008 -4.270 1.00 0.00 H new ATOM 0 HG22 ILE A 39 75.124 2.844 -5.357 1.00 0.00 H new ATOM 0 HG23 ILE A 39 74.961 2.444 -3.631 1.00 0.00 H new ATOM 0 HD11 ILE A 39 78.671 0.494 -2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 39 78.777 0.811 -4.318 1.00 0.00 H new ATOM 0 HD13 ILE A 39 78.092 2.042 -3.231 1.00 0.00 H new ATOM 612 N GLU A 40 75.077 -2.244 -4.815 1.00 0.00 N ATOM 613 CA GLU A 40 75.558 -3.570 -5.166 1.00 0.00 C ATOM 614 C GLU A 40 74.611 -4.648 -4.662 1.00 0.00 C ATOM 615 O GLU A 40 74.139 -4.598 -3.522 1.00 0.00 O ATOM 616 CB GLU A 40 76.953 -3.798 -4.579 1.00 0.00 C ATOM 617 CG GLU A 40 78.049 -3.906 -5.625 1.00 0.00 C ATOM 618 CD GLU A 40 77.884 -5.119 -6.515 1.00 0.00 C ATOM 619 OE1 GLU A 40 78.298 -6.227 -6.103 1.00 0.00 O ATOM 620 OE2 GLU A 40 77.349 -4.973 -7.633 1.00 0.00 O ATOM 0 H GLU A 40 74.631 -2.185 -3.900 1.00 0.00 H new ATOM 0 HA GLU A 40 75.606 -3.632 -6.253 1.00 0.00 H new ATOM 0 HB2 GLU A 40 77.190 -2.978 -3.901 1.00 0.00 H new ATOM 0 HB3 GLU A 40 76.941 -4.711 -3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 40 78.050 -3.006 -6.240 1.00 0.00 H new ATOM 0 HG3 GLU A 40 79.018 -3.953 -5.128 1.00 0.00 H new ATOM 627 N HIS A 41 74.320 -5.605 -5.529 1.00 0.00 N ATOM 628 CA HIS A 41 73.561 -6.782 -5.150 1.00 0.00 C ATOM 629 C HIS A 41 74.498 -7.872 -4.663 1.00 0.00 C ATOM 630 O HIS A 41 75.071 -8.618 -5.461 1.00 0.00 O ATOM 631 CB HIS A 41 72.726 -7.302 -6.321 1.00 0.00 C ATOM 632 CG HIS A 41 71.427 -6.588 -6.497 1.00 0.00 C ATOM 633 ND1 HIS A 41 70.750 -6.538 -7.693 1.00 0.00 N ATOM 634 CD2 HIS A 41 70.656 -5.927 -5.605 1.00 0.00 C ATOM 635 CE1 HIS A 41 69.620 -5.882 -7.529 1.00 0.00 C ATOM 636 NE2 HIS A 41 69.538 -5.499 -6.270 1.00 0.00 N ATOM 0 H HIS A 41 74.602 -5.587 -6.509 1.00 0.00 H new ATOM 0 HA HIS A 41 72.883 -6.500 -4.345 1.00 0.00 H new ATOM 0 HB2 HIS A 41 73.307 -7.211 -7.239 1.00 0.00 H new ATOM 0 HB3 HIS A 41 72.529 -8.364 -6.172 1.00 0.00 H new ATOM 0 HD2 HIS A 41 70.880 -5.766 -4.561 1.00 0.00 H new ATOM 0 HE1 HIS A 41 68.885 -5.690 -8.296 1.00 0.00 H new ATOM 0 HE2 HIS A 41 68.768 -4.971 -5.859 1.00 0.00 H new ATOM 645 N LEU A 42 74.666 -7.946 -3.356 1.00 0.00 N ATOM 646 CA LEU A 42 75.542 -8.935 -2.760 1.00 0.00 C ATOM 647 C LEU A 42 74.905 -10.313 -2.825 1.00 0.00 C ATOM 648 O LEU A 42 73.755 -10.504 -2.435 1.00 0.00 O ATOM 649 CB LEU A 42 75.868 -8.573 -1.311 1.00 0.00 C ATOM 650 CG LEU A 42 76.680 -7.291 -1.126 1.00 0.00 C ATOM 651 CD1 LEU A 42 76.913 -7.022 0.349 1.00 0.00 C ATOM 652 CD2 LEU A 42 78.007 -7.393 -1.863 1.00 0.00 C ATOM 0 H LEU A 42 74.205 -7.331 -2.686 1.00 0.00 H new ATOM 0 HA LEU A 42 76.473 -8.949 -3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 42 74.933 -8.475 -0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 42 76.418 -9.400 -0.862 1.00 0.00 H new ATOM 0 HG LEU A 42 76.115 -6.459 -1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 42 77.492 -6.106 0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 42 75.954 -6.911 0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 42 77.460 -7.856 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 42 78.573 -6.473 -1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 42 78.578 -8.234 -1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 42 77.822 -7.545 -2.926 1.00 0.00 H new ATOM 664 N HIS A 43 75.656 -11.261 -3.342 1.00 0.00 N ATOM 665 CA HIS A 43 75.188 -12.632 -3.450 1.00 0.00 C ATOM 666 C HIS A 43 75.804 -13.479 -2.343 1.00 0.00 C ATOM 667 O HIS A 43 76.848 -14.104 -2.522 1.00 0.00 O ATOM 668 CB HIS A 43 75.493 -13.207 -4.843 1.00 0.00 C ATOM 669 CG HIS A 43 76.849 -12.842 -5.385 1.00 0.00 C ATOM 670 ND1 HIS A 43 77.100 -11.660 -6.058 1.00 0.00 N ATOM 671 CD2 HIS A 43 78.029 -13.508 -5.354 1.00 0.00 C ATOM 672 CE1 HIS A 43 78.370 -11.620 -6.418 1.00 0.00 C ATOM 673 NE2 HIS A 43 78.953 -12.727 -6.000 1.00 0.00 N ATOM 0 H HIS A 43 76.600 -11.109 -3.697 1.00 0.00 H new ATOM 0 HA HIS A 43 74.105 -12.648 -3.327 1.00 0.00 H new ATOM 0 HB2 HIS A 43 75.413 -14.293 -4.799 1.00 0.00 H new ATOM 0 HB3 HIS A 43 74.731 -12.859 -5.541 1.00 0.00 H new ATOM 0 HD2 HIS A 43 78.208 -14.474 -4.904 1.00 0.00 H new ATOM 0 HE1 HIS A 43 78.849 -10.819 -6.961 1.00 0.00 H new ATOM 0 HE2 HIS A 43 79.936 -12.965 -6.136 1.00 0.00 H new ATOM 682 N SER A 44 75.163 -13.456 -1.186 1.00 0.00 N ATOM 683 CA SER A 44 75.672 -14.132 -0.007 1.00 0.00 C ATOM 684 C SER A 44 74.510 -14.542 0.895 1.00 0.00 C ATOM 685 O SER A 44 73.344 -14.347 0.545 1.00 0.00 O ATOM 686 CB SER A 44 76.641 -13.197 0.739 1.00 0.00 C ATOM 687 OG SER A 44 77.211 -13.825 1.878 1.00 0.00 O ATOM 0 H SER A 44 74.278 -12.970 -1.039 1.00 0.00 H new ATOM 0 HA SER A 44 76.211 -15.032 -0.301 1.00 0.00 H new ATOM 0 HB2 SER A 44 77.435 -12.883 0.062 1.00 0.00 H new ATOM 0 HB3 SER A 44 76.111 -12.296 1.048 1.00 0.00 H new ATOM 0 HG SER A 44 77.821 -13.201 2.324 1.00 0.00 H new ATOM 693 N ALA A 45 74.831 -15.106 2.048 1.00 0.00 N ATOM 694 CA ALA A 45 73.825 -15.487 3.018 1.00 0.00 C ATOM 695 C ALA A 45 73.928 -14.559 4.209 1.00 0.00 C ATOM 696 O ALA A 45 73.080 -14.556 5.103 1.00 0.00 O ATOM 697 CB ALA A 45 74.008 -16.938 3.445 1.00 0.00 C ATOM 0 H ALA A 45 75.789 -15.310 2.334 1.00 0.00 H new ATOM 0 HA ALA A 45 72.834 -15.402 2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 45 73.242 -17.202 4.174 1.00 0.00 H new ATOM 0 HB2 ALA A 45 73.920 -17.587 2.574 1.00 0.00 H new ATOM 0 HB3 ALA A 45 74.994 -17.064 3.893 1.00 0.00 H new ATOM 703 N THR A 46 74.990 -13.768 4.201 1.00 0.00 N ATOM 704 CA THR A 46 75.248 -12.826 5.261 1.00 0.00 C ATOM 705 C THR A 46 74.677 -11.458 4.907 1.00 0.00 C ATOM 706 O THR A 46 74.080 -10.785 5.747 1.00 0.00 O ATOM 707 CB THR A 46 76.758 -12.688 5.509 1.00 0.00 C ATOM 708 OG1 THR A 46 77.429 -13.906 5.156 1.00 0.00 O ATOM 709 CG2 THR A 46 77.025 -12.380 6.966 1.00 0.00 C ATOM 0 H THR A 46 75.690 -13.766 3.459 1.00 0.00 H new ATOM 0 HA THR A 46 74.767 -13.200 6.165 1.00 0.00 H new ATOM 0 HB THR A 46 77.134 -11.872 4.892 1.00 0.00 H new ATOM 0 HG1 THR A 46 78.391 -13.808 5.316 1.00 0.00 H new ATOM 0 HG21 THR A 46 78.099 -12.285 7.127 1.00 0.00 H new ATOM 0 HG22 THR A 46 76.533 -11.445 7.236 1.00 0.00 H new ATOM 0 HG23 THR A 46 76.635 -13.187 7.586 1.00 0.00 H new ATOM 717 N TYR A 47 74.870 -11.057 3.653 1.00 0.00 N ATOM 718 CA TYR A 47 74.394 -9.770 3.161 1.00 0.00 C ATOM 719 C TYR A 47 73.876 -9.927 1.738 1.00 0.00 C ATOM 720 O TYR A 47 74.480 -10.644 0.937 1.00 0.00 O ATOM 721 CB TYR A 47 75.523 -8.733 3.163 1.00 0.00 C ATOM 722 CG TYR A 47 76.330 -8.670 4.444 1.00 0.00 C ATOM 723 CD1 TYR A 47 75.803 -8.109 5.602 1.00 0.00 C ATOM 724 CD2 TYR A 47 77.629 -9.162 4.486 1.00 0.00 C ATOM 725 CE1 TYR A 47 76.550 -8.040 6.764 1.00 0.00 C ATOM 726 CE2 TYR A 47 78.379 -9.099 5.644 1.00 0.00 C ATOM 727 CZ TYR A 47 77.836 -8.537 6.778 1.00 0.00 C ATOM 728 OH TYR A 47 78.588 -8.467 7.930 1.00 0.00 O ATOM 0 H TYR A 47 75.359 -11.614 2.952 1.00 0.00 H new ATOM 0 HA TYR A 47 73.595 -9.428 3.819 1.00 0.00 H new ATOM 0 HB2 TYR A 47 76.198 -8.951 2.336 1.00 0.00 H new ATOM 0 HB3 TYR A 47 75.093 -7.749 2.973 1.00 0.00 H new ATOM 0 HD1 TYR A 47 74.795 -7.721 5.594 1.00 0.00 H new ATOM 0 HD2 TYR A 47 78.059 -9.601 3.598 1.00 0.00 H new ATOM 0 HE1 TYR A 47 76.128 -7.599 7.655 1.00 0.00 H new ATOM 0 HE2 TYR A 47 79.386 -9.488 5.660 1.00 0.00 H new ATOM 0 HH TYR A 47 79.470 -8.863 7.769 1.00 0.00 H new ATOM 738 N ASP A 48 72.766 -9.269 1.425 1.00 0.00 N ATOM 739 CA ASP A 48 72.219 -9.314 0.073 1.00 0.00 C ATOM 740 C ASP A 48 72.410 -7.983 -0.642 1.00 0.00 C ATOM 741 O ASP A 48 72.263 -7.895 -1.861 1.00 0.00 O ATOM 742 CB ASP A 48 70.727 -9.670 0.090 1.00 0.00 C ATOM 743 CG ASP A 48 70.464 -11.135 0.371 1.00 0.00 C ATOM 744 OD1 ASP A 48 70.570 -11.546 1.544 1.00 0.00 O ATOM 745 OD2 ASP A 48 70.124 -11.874 -0.576 1.00 0.00 O ATOM 0 H ASP A 48 72.230 -8.702 2.082 1.00 0.00 H new ATOM 0 HA ASP A 48 72.763 -10.089 -0.466 1.00 0.00 H new ATOM 0 HB2 ASP A 48 70.225 -9.066 0.846 1.00 0.00 H new ATOM 0 HB3 ASP A 48 70.287 -9.407 -0.872 1.00 0.00 H new ATOM 750 N TYR A 49 72.736 -6.939 0.110 1.00 0.00 N ATOM 751 CA TYR A 49 72.841 -5.605 -0.469 1.00 0.00 C ATOM 752 C TYR A 49 74.017 -4.833 0.115 1.00 0.00 C ATOM 753 O TYR A 49 74.331 -4.958 1.301 1.00 0.00 O ATOM 754 CB TYR A 49 71.552 -4.812 -0.231 1.00 0.00 C ATOM 755 CG TYR A 49 70.310 -5.490 -0.756 1.00 0.00 C ATOM 756 CD1 TYR A 49 69.600 -6.377 0.038 1.00 0.00 C ATOM 757 CD2 TYR A 49 69.853 -5.251 -2.044 1.00 0.00 C ATOM 758 CE1 TYR A 49 68.473 -7.011 -0.438 1.00 0.00 C ATOM 759 CE2 TYR A 49 68.722 -5.880 -2.525 1.00 0.00 C ATOM 760 CZ TYR A 49 68.038 -6.761 -1.719 1.00 0.00 C ATOM 761 OH TYR A 49 66.910 -7.389 -2.190 1.00 0.00 O ATOM 0 H TYR A 49 72.930 -6.988 1.110 1.00 0.00 H new ATOM 0 HA TYR A 49 73.003 -5.730 -1.540 1.00 0.00 H new ATOM 0 HB2 TYR A 49 71.435 -4.640 0.839 1.00 0.00 H new ATOM 0 HB3 TYR A 49 71.647 -3.834 -0.702 1.00 0.00 H new ATOM 0 HD1 TYR A 49 69.935 -6.574 1.045 1.00 0.00 H new ATOM 0 HD2 TYR A 49 70.390 -4.563 -2.680 1.00 0.00 H new ATOM 0 HE1 TYR A 49 67.933 -7.702 0.192 1.00 0.00 H new ATOM 0 HE2 TYR A 49 68.376 -5.682 -3.529 1.00 0.00 H new ATOM 0 HH TYR A 49 66.489 -7.893 -1.463 1.00 0.00 H new ATOM 771 N ALA A 50 74.665 -4.041 -0.726 1.00 0.00 N ATOM 772 CA ALA A 50 75.707 -3.136 -0.276 1.00 0.00 C ATOM 773 C ALA A 50 75.196 -1.709 -0.385 1.00 0.00 C ATOM 774 O ALA A 50 74.888 -1.234 -1.483 1.00 0.00 O ATOM 775 CB ALA A 50 76.974 -3.322 -1.093 1.00 0.00 C ATOM 0 H ALA A 50 74.485 -4.008 -1.729 1.00 0.00 H new ATOM 0 HA ALA A 50 75.955 -3.354 0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 50 77.740 -2.633 -0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 50 77.329 -4.347 -0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 50 76.763 -3.119 -2.143 1.00 0.00 H new ATOM 781 N VAL A 51 75.083 -1.041 0.747 1.00 0.00 N ATOM 782 CA VAL A 51 74.461 0.270 0.790 1.00 0.00 C ATOM 783 C VAL A 51 75.484 1.357 1.094 1.00 0.00 C ATOM 784 O VAL A 51 76.303 1.215 1.995 1.00 0.00 O ATOM 785 CB VAL A 51 73.341 0.313 1.855 1.00 0.00 C ATOM 786 CG1 VAL A 51 72.642 1.660 1.858 1.00 0.00 C ATOM 787 CG2 VAL A 51 72.338 -0.807 1.626 1.00 0.00 C ATOM 0 H VAL A 51 75.413 -1.384 1.649 1.00 0.00 H new ATOM 0 HA VAL A 51 74.031 0.455 -0.194 1.00 0.00 H new ATOM 0 HB VAL A 51 73.803 0.169 2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 51 71.859 1.662 2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 51 73.365 2.445 2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 51 72.199 1.842 0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 51 71.558 -0.758 2.386 1.00 0.00 H new ATOM 0 HG22 VAL A 51 71.889 -0.697 0.639 1.00 0.00 H new ATOM 0 HG23 VAL A 51 72.846 -1.769 1.689 1.00 0.00 H new ATOM 797 N SER A 52 75.451 2.427 0.317 1.00 0.00 N ATOM 798 CA SER A 52 76.258 3.598 0.608 1.00 0.00 C ATOM 799 C SER A 52 75.457 4.543 1.492 1.00 0.00 C ATOM 800 O SER A 52 74.507 5.178 1.028 1.00 0.00 O ATOM 801 CB SER A 52 76.669 4.294 -0.687 1.00 0.00 C ATOM 802 OG SER A 52 77.361 3.399 -1.545 1.00 0.00 O ATOM 0 H SER A 52 74.874 2.508 -0.520 1.00 0.00 H new ATOM 0 HA SER A 52 77.166 3.296 1.130 1.00 0.00 H new ATOM 0 HB2 SER A 52 75.784 4.680 -1.194 1.00 0.00 H new ATOM 0 HB3 SER A 52 77.304 5.150 -0.459 1.00 0.00 H new ATOM 0 HG SER A 52 77.882 3.910 -2.199 1.00 0.00 H new ATOM 808 N ASP A 53 75.817 4.605 2.766 1.00 0.00 N ATOM 809 CA ASP A 53 75.044 5.359 3.743 1.00 0.00 C ATOM 810 C ASP A 53 75.237 6.858 3.568 1.00 0.00 C ATOM 811 O ASP A 53 76.209 7.306 2.955 1.00 0.00 O ATOM 812 CB ASP A 53 75.453 4.993 5.172 1.00 0.00 C ATOM 813 CG ASP A 53 75.341 3.516 5.479 1.00 0.00 C ATOM 814 OD1 ASP A 53 74.256 3.077 5.911 1.00 0.00 O ATOM 815 OD2 ASP A 53 76.354 2.800 5.329 1.00 0.00 O ATOM 0 H ASP A 53 76.641 4.141 3.148 1.00 0.00 H new ATOM 0 HA ASP A 53 73.998 5.101 3.576 1.00 0.00 H new ATOM 0 HB2 ASP A 53 76.482 5.312 5.339 1.00 0.00 H new ATOM 0 HB3 ASP A 53 74.829 5.549 5.872 1.00 0.00 H new ATOM 820 N GLU A 54 74.315 7.626 4.144 1.00 0.00 N ATOM 821 CA GLU A 54 74.422 9.085 4.199 1.00 0.00 C ATOM 822 C GLU A 54 75.685 9.528 4.938 1.00 0.00 C ATOM 823 O GLU A 54 76.080 10.693 4.866 1.00 0.00 O ATOM 824 CB GLU A 54 73.193 9.674 4.897 1.00 0.00 C ATOM 825 CG GLU A 54 72.964 9.108 6.292 1.00 0.00 C ATOM 826 CD GLU A 54 71.811 9.769 7.012 1.00 0.00 C ATOM 827 OE1 GLU A 54 70.648 9.404 6.744 1.00 0.00 O ATOM 828 OE2 GLU A 54 72.062 10.658 7.851 1.00 0.00 O ATOM 0 H GLU A 54 73.473 7.257 4.586 1.00 0.00 H new ATOM 0 HA GLU A 54 74.478 9.451 3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 54 73.306 10.756 4.965 1.00 0.00 H new ATOM 0 HB3 GLU A 54 72.311 9.484 4.286 1.00 0.00 H new ATOM 0 HG2 GLU A 54 72.774 8.037 6.218 1.00 0.00 H new ATOM 0 HG3 GLU A 54 73.872 9.230 6.882 1.00 0.00 H new ATOM 835 N THR A 55 76.307 8.602 5.662 1.00 0.00 N ATOM 836 CA THR A 55 77.527 8.890 6.395 1.00 0.00 C ATOM 837 C THR A 55 78.695 9.102 5.437 1.00 0.00 C ATOM 838 O THR A 55 79.607 9.883 5.711 1.00 0.00 O ATOM 839 CB THR A 55 77.872 7.744 7.366 1.00 0.00 C ATOM 840 OG1 THR A 55 77.859 6.495 6.659 1.00 0.00 O ATOM 841 CG2 THR A 55 76.885 7.695 8.525 1.00 0.00 C ATOM 0 H THR A 55 75.980 7.640 5.754 1.00 0.00 H new ATOM 0 HA THR A 55 77.357 9.803 6.966 1.00 0.00 H new ATOM 0 HB THR A 55 78.867 7.923 7.774 1.00 0.00 H new ATOM 0 HG1 THR A 55 78.080 5.767 7.277 1.00 0.00 H new ATOM 0 HG21 THR A 55 77.151 6.878 9.195 1.00 0.00 H new ATOM 0 HG22 THR A 55 76.918 8.638 9.071 1.00 0.00 H new ATOM 0 HG23 THR A 55 75.878 7.535 8.139 1.00 0.00 H new ATOM 849 N GLY A 56 78.641 8.417 4.301 1.00 0.00 N ATOM 850 CA GLY A 56 79.712 8.498 3.330 1.00 0.00 C ATOM 851 C GLY A 56 80.406 7.168 3.138 1.00 0.00 C ATOM 852 O GLY A 56 81.171 6.989 2.191 1.00 0.00 O ATOM 0 H GLY A 56 77.870 7.804 4.036 1.00 0.00 H new ATOM 0 HA2 GLY A 56 79.311 8.838 2.375 1.00 0.00 H new ATOM 0 HA3 GLY A 56 80.439 9.243 3.654 1.00 0.00 H new ATOM 856 N ASP A 57 80.134 6.230 4.032 1.00 0.00 N ATOM 857 CA ASP A 57 80.734 4.902 3.954 1.00 0.00 C ATOM 858 C ASP A 57 79.802 3.938 3.238 1.00 0.00 C ATOM 859 O ASP A 57 78.653 4.271 2.947 1.00 0.00 O ATOM 860 CB ASP A 57 81.063 4.359 5.347 1.00 0.00 C ATOM 861 CG ASP A 57 82.288 5.003 5.963 1.00 0.00 C ATOM 862 OD1 ASP A 57 83.404 4.779 5.452 1.00 0.00 O ATOM 863 OD2 ASP A 57 82.143 5.721 6.974 1.00 0.00 O ATOM 0 H ASP A 57 79.502 6.361 4.821 1.00 0.00 H new ATOM 0 HA ASP A 57 81.662 4.992 3.389 1.00 0.00 H new ATOM 0 HB2 ASP A 57 80.208 4.518 6.004 1.00 0.00 H new ATOM 0 HB3 ASP A 57 81.220 3.282 5.283 1.00 0.00 H new ATOM 868 N ILE A 58 80.310 2.750 2.954 1.00 0.00 N ATOM 869 CA ILE A 58 79.520 1.707 2.321 1.00 0.00 C ATOM 870 C ILE A 58 79.413 0.512 3.254 1.00 0.00 C ATOM 871 O ILE A 58 80.423 -0.098 3.604 1.00 0.00 O ATOM 872 CB ILE A 58 80.146 1.259 0.981 1.00 0.00 C ATOM 873 CG1 ILE A 58 80.340 2.468 0.060 1.00 0.00 C ATOM 874 CG2 ILE A 58 79.275 0.205 0.307 1.00 0.00 C ATOM 875 CD1 ILE A 58 81.073 2.147 -1.223 1.00 0.00 C ATOM 0 H ILE A 58 81.274 2.483 3.154 1.00 0.00 H new ATOM 0 HA ILE A 58 78.529 2.112 2.115 1.00 0.00 H new ATOM 0 HB ILE A 58 81.121 0.815 1.183 1.00 0.00 H new ATOM 0 HG12 ILE A 58 79.364 2.886 -0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 58 80.891 3.239 0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 58 79.733 -0.097 -0.635 1.00 0.00 H new ATOM 0 HG22 ILE A 58 79.182 -0.663 0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 58 78.286 0.620 0.113 1.00 0.00 H new ATOM 0 HD11 ILE A 58 81.172 3.052 -1.822 1.00 0.00 H new ATOM 0 HD12 ILE A 58 82.064 1.757 -0.988 1.00 0.00 H new ATOM 0 HD13 ILE A 58 80.513 1.400 -1.785 1.00 0.00 H new ATOM 887 N THR A 59 78.202 0.185 3.666 1.00 0.00 N ATOM 888 CA THR A 59 77.992 -0.890 4.611 1.00 0.00 C ATOM 889 C THR A 59 77.153 -1.999 3.980 1.00 0.00 C ATOM 890 O THR A 59 76.299 -1.743 3.135 1.00 0.00 O ATOM 891 CB THR A 59 77.300 -0.368 5.884 1.00 0.00 C ATOM 892 OG1 THR A 59 77.865 0.897 6.263 1.00 0.00 O ATOM 893 CG2 THR A 59 77.465 -1.354 7.030 1.00 0.00 C ATOM 0 H THR A 59 77.348 0.651 3.359 1.00 0.00 H new ATOM 0 HA THR A 59 78.966 -1.296 4.885 1.00 0.00 H new ATOM 0 HB THR A 59 76.238 -0.249 5.671 1.00 0.00 H new ATOM 0 HG1 THR A 59 77.265 1.620 5.985 1.00 0.00 H new ATOM 0 HG21 THR A 59 76.969 -0.965 7.919 1.00 0.00 H new ATOM 0 HG22 THR A 59 77.019 -2.310 6.755 1.00 0.00 H new ATOM 0 HG23 THR A 59 78.525 -1.495 7.239 1.00 0.00 H new ATOM 901 N TYR A 60 77.408 -3.236 4.382 1.00 0.00 N ATOM 902 CA TYR A 60 76.697 -4.377 3.829 1.00 0.00 C ATOM 903 C TYR A 60 75.509 -4.721 4.717 1.00 0.00 C ATOM 904 O TYR A 60 75.640 -4.776 5.941 1.00 0.00 O ATOM 905 CB TYR A 60 77.627 -5.585 3.726 1.00 0.00 C ATOM 906 CG TYR A 60 79.044 -5.254 3.313 1.00 0.00 C ATOM 907 CD1 TYR A 60 79.351 -4.899 2.004 1.00 0.00 C ATOM 908 CD2 TYR A 60 80.079 -5.304 4.240 1.00 0.00 C ATOM 909 CE1 TYR A 60 80.649 -4.603 1.634 1.00 0.00 C ATOM 910 CE2 TYR A 60 81.377 -5.011 3.876 1.00 0.00 C ATOM 911 CZ TYR A 60 81.658 -4.663 2.573 1.00 0.00 C ATOM 912 OH TYR A 60 82.951 -4.374 2.212 1.00 0.00 O ATOM 0 H TYR A 60 78.103 -3.474 5.090 1.00 0.00 H new ATOM 0 HA TYR A 60 76.343 -4.119 2.831 1.00 0.00 H new ATOM 0 HB2 TYR A 60 77.652 -6.091 4.691 1.00 0.00 H new ATOM 0 HB3 TYR A 60 77.208 -6.290 3.008 1.00 0.00 H new ATOM 0 HD1 TYR A 60 78.564 -4.854 1.266 1.00 0.00 H new ATOM 0 HD2 TYR A 60 79.863 -5.577 5.262 1.00 0.00 H new ATOM 0 HE1 TYR A 60 80.873 -4.326 0.614 1.00 0.00 H new ATOM 0 HE2 TYR A 60 82.169 -5.054 4.609 1.00 0.00 H new ATOM 0 HH TYR A 60 83.536 -4.463 2.993 1.00 0.00 H new ATOM 922 N PHE A 61 74.357 -4.953 4.104 1.00 0.00 N ATOM 923 CA PHE A 61 73.147 -5.286 4.846 1.00 0.00 C ATOM 924 C PHE A 61 72.318 -6.319 4.094 1.00 0.00 C ATOM 925 O PHE A 61 72.656 -6.721 2.979 1.00 0.00 O ATOM 926 CB PHE A 61 72.290 -4.036 5.084 1.00 0.00 C ATOM 927 CG PHE A 61 72.880 -3.059 6.059 1.00 0.00 C ATOM 928 CD1 PHE A 61 72.822 -3.308 7.420 1.00 0.00 C ATOM 929 CD2 PHE A 61 73.483 -1.891 5.619 1.00 0.00 C ATOM 930 CE1 PHE A 61 73.357 -2.414 8.325 1.00 0.00 C ATOM 931 CE2 PHE A 61 74.020 -0.993 6.522 1.00 0.00 C ATOM 932 CZ PHE A 61 73.957 -1.255 7.877 1.00 0.00 C ATOM 0 H PHE A 61 74.234 -4.917 3.092 1.00 0.00 H new ATOM 0 HA PHE A 61 73.456 -5.699 5.806 1.00 0.00 H new ATOM 0 HB2 PHE A 61 72.133 -3.531 4.131 1.00 0.00 H new ATOM 0 HB3 PHE A 61 71.310 -4.345 5.446 1.00 0.00 H new ATOM 0 HD1 PHE A 61 72.353 -4.213 7.777 1.00 0.00 H new ATOM 0 HD2 PHE A 61 73.534 -1.681 4.561 1.00 0.00 H new ATOM 0 HE1 PHE A 61 73.306 -2.621 9.384 1.00 0.00 H new ATOM 0 HE2 PHE A 61 74.489 -0.087 6.168 1.00 0.00 H new ATOM 0 HZ PHE A 61 74.376 -0.554 8.584 1.00 0.00 H new ATOM 942 N LYS A 62 71.232 -6.750 4.715 1.00 0.00 N ATOM 943 CA LYS A 62 70.264 -7.605 4.054 1.00 0.00 C ATOM 944 C LYS A 62 68.928 -6.890 3.952 1.00 0.00 C ATOM 945 O LYS A 62 68.684 -5.908 4.650 1.00 0.00 O ATOM 946 CB LYS A 62 70.088 -8.939 4.790 1.00 0.00 C ATOM 947 CG LYS A 62 71.243 -9.902 4.587 1.00 0.00 C ATOM 948 CD LYS A 62 70.880 -11.320 5.008 1.00 0.00 C ATOM 949 CE LYS A 62 69.613 -11.800 4.315 1.00 0.00 C ATOM 950 NZ LYS A 62 69.510 -13.282 4.306 1.00 0.00 N ATOM 0 H LYS A 62 71.000 -6.519 5.681 1.00 0.00 H new ATOM 0 HA LYS A 62 70.641 -7.824 3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 62 69.972 -8.744 5.856 1.00 0.00 H new ATOM 0 HB3 LYS A 62 69.167 -9.413 4.451 1.00 0.00 H new ATOM 0 HG2 LYS A 62 71.538 -9.899 3.538 1.00 0.00 H new ATOM 0 HG3 LYS A 62 72.105 -9.562 5.161 1.00 0.00 H new ATOM 0 HD2 LYS A 62 71.703 -11.993 4.770 1.00 0.00 H new ATOM 0 HD3 LYS A 62 70.741 -11.356 6.088 1.00 0.00 H new ATOM 0 HE2 LYS A 62 68.743 -11.379 4.819 1.00 0.00 H new ATOM 0 HE3 LYS A 62 69.598 -11.429 3.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 68.633 -13.566 3.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 70.327 -13.684 3.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 69.498 -13.635 5.284 1.00 0.00 H new ATOM 964 N GLU A 63 68.070 -7.401 3.085 1.00 0.00 N ATOM 965 CA GLU A 63 66.739 -6.825 2.867 1.00 0.00 C ATOM 966 C GLU A 63 65.860 -6.926 4.114 1.00 0.00 C ATOM 967 O GLU A 63 64.778 -6.345 4.173 1.00 0.00 O ATOM 968 CB GLU A 63 66.072 -7.516 1.677 1.00 0.00 C ATOM 969 CG GLU A 63 66.086 -9.033 1.763 1.00 0.00 C ATOM 970 CD GLU A 63 65.919 -9.696 0.410 1.00 0.00 C ATOM 971 OE1 GLU A 63 65.556 -8.997 -0.563 1.00 0.00 O ATOM 972 OE2 GLU A 63 66.166 -10.917 0.315 1.00 0.00 O ATOM 0 H GLU A 63 68.267 -8.222 2.512 1.00 0.00 H new ATOM 0 HA GLU A 63 66.860 -5.764 2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 63 65.039 -7.175 1.603 1.00 0.00 H new ATOM 0 HB3 GLU A 63 66.576 -7.209 0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 63 67.025 -9.359 2.210 1.00 0.00 H new ATOM 0 HG3 GLU A 63 65.286 -9.363 2.426 1.00 0.00 H new ATOM 979 N HIS A 64 66.352 -7.640 5.118 1.00 0.00 N ATOM 980 CA HIS A 64 65.633 -7.833 6.373 1.00 0.00 C ATOM 981 C HIS A 64 65.405 -6.505 7.100 1.00 0.00 C ATOM 982 O HIS A 64 64.427 -6.355 7.830 1.00 0.00 O ATOM 983 CB HIS A 64 66.425 -8.790 7.276 1.00 0.00 C ATOM 984 CG HIS A 64 65.766 -9.087 8.587 1.00 0.00 C ATOM 985 ND1 HIS A 64 66.284 -8.687 9.803 1.00 0.00 N ATOM 986 CD2 HIS A 64 64.627 -9.759 8.869 1.00 0.00 C ATOM 987 CE1 HIS A 64 65.491 -9.103 10.772 1.00 0.00 C ATOM 988 NE2 HIS A 64 64.479 -9.754 10.230 1.00 0.00 N ATOM 0 H HIS A 64 67.261 -8.102 5.086 1.00 0.00 H new ATOM 0 HA HIS A 64 64.657 -8.260 6.143 1.00 0.00 H new ATOM 0 HB2 HIS A 64 66.584 -9.727 6.742 1.00 0.00 H new ATOM 0 HB3 HIS A 64 67.409 -8.361 7.466 1.00 0.00 H new ATOM 0 HD1 HIS A 64 67.144 -8.154 9.932 1.00 0.00 H new ATOM 0 HD2 HIS A 64 63.958 -10.215 8.154 1.00 0.00 H new ATOM 0 HE1 HIS A 64 65.644 -8.939 11.828 1.00 0.00 H new ATOM 997 N GLU A 65 66.303 -5.550 6.898 1.00 0.00 N ATOM 998 CA GLU A 65 66.258 -4.297 7.643 1.00 0.00 C ATOM 999 C GLU A 65 66.445 -3.093 6.726 1.00 0.00 C ATOM 1000 O GLU A 65 66.978 -2.060 7.138 1.00 0.00 O ATOM 1001 CB GLU A 65 67.334 -4.313 8.726 1.00 0.00 C ATOM 1002 CG GLU A 65 66.995 -5.227 9.891 1.00 0.00 C ATOM 1003 CD GLU A 65 68.215 -5.894 10.487 1.00 0.00 C ATOM 1004 OE1 GLU A 65 69.003 -5.203 11.170 1.00 0.00 O ATOM 1005 OE2 GLU A 65 68.382 -7.115 10.273 1.00 0.00 O ATOM 0 H GLU A 65 67.069 -5.617 6.228 1.00 0.00 H new ATOM 0 HA GLU A 65 65.275 -4.205 8.104 1.00 0.00 H new ATOM 0 HB2 GLU A 65 68.279 -4.631 8.286 1.00 0.00 H new ATOM 0 HB3 GLU A 65 67.481 -3.299 9.098 1.00 0.00 H new ATOM 0 HG2 GLU A 65 66.488 -4.650 10.664 1.00 0.00 H new ATOM 0 HG3 GLU A 65 66.296 -5.993 9.555 1.00 0.00 H new ATOM 1012 N LEU A 66 65.970 -3.217 5.500 1.00 0.00 N ATOM 1013 CA LEU A 66 66.061 -2.134 4.530 1.00 0.00 C ATOM 1014 C LEU A 66 64.667 -1.669 4.129 1.00 0.00 C ATOM 1015 O LEU A 66 63.852 -2.459 3.650 1.00 0.00 O ATOM 1016 CB LEU A 66 66.845 -2.573 3.285 1.00 0.00 C ATOM 1017 CG LEU A 66 68.313 -2.924 3.525 1.00 0.00 C ATOM 1018 CD1 LEU A 66 68.969 -3.355 2.224 1.00 0.00 C ATOM 1019 CD2 LEU A 66 69.058 -1.739 4.127 1.00 0.00 C ATOM 0 H LEU A 66 65.515 -4.060 5.149 1.00 0.00 H new ATOM 0 HA LEU A 66 66.595 -1.306 4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 66 66.348 -3.440 2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 66 66.796 -1.774 2.545 1.00 0.00 H new ATOM 0 HG LEU A 66 68.359 -3.752 4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 66 70.014 -3.602 2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 66 68.453 -4.230 1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 66 68.911 -2.542 1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 66 70.101 -2.010 4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 66 69.006 -0.891 3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 66 68.601 -1.467 5.078 1.00 0.00 H new ATOM 1031 N THR A 67 64.388 -0.395 4.346 1.00 0.00 N ATOM 1032 CA THR A 67 63.091 0.162 4.004 1.00 0.00 C ATOM 1033 C THR A 67 63.220 1.187 2.885 1.00 0.00 C ATOM 1034 O THR A 67 63.931 2.183 3.031 1.00 0.00 O ATOM 1035 CB THR A 67 62.429 0.815 5.233 1.00 0.00 C ATOM 1036 OG1 THR A 67 62.337 -0.148 6.291 1.00 0.00 O ATOM 1037 CG2 THR A 67 61.038 1.337 4.900 1.00 0.00 C ATOM 0 H THR A 67 65.041 0.272 4.757 1.00 0.00 H new ATOM 0 HA THR A 67 62.461 -0.658 3.661 1.00 0.00 H new ATOM 0 HB THR A 67 63.044 1.659 5.545 1.00 0.00 H new ATOM 0 HG1 THR A 67 61.566 -0.733 6.135 1.00 0.00 H new ATOM 0 HG21 THR A 67 60.598 1.792 5.788 1.00 0.00 H new ATOM 0 HG22 THR A 67 61.109 2.082 4.108 1.00 0.00 H new ATOM 0 HG23 THR A 67 60.410 0.511 4.566 1.00 0.00 H new ATOM 1045 N PRO A 68 62.551 0.940 1.748 1.00 0.00 N ATOM 1046 CA PRO A 68 62.535 1.879 0.628 1.00 0.00 C ATOM 1047 C PRO A 68 61.836 3.177 0.997 1.00 0.00 C ATOM 1048 O PRO A 68 60.870 3.177 1.761 1.00 0.00 O ATOM 1049 CB PRO A 68 61.745 1.145 -0.464 1.00 0.00 C ATOM 1050 CG PRO A 68 61.706 -0.283 -0.035 1.00 0.00 C ATOM 1051 CD PRO A 68 61.762 -0.268 1.464 1.00 0.00 C ATOM 0 HA PRO A 68 63.542 2.158 0.317 1.00 0.00 H new ATOM 0 HB2 PRO A 68 60.739 1.553 -0.562 1.00 0.00 H new ATOM 0 HB3 PRO A 68 62.228 1.250 -1.436 1.00 0.00 H new ATOM 0 HG2 PRO A 68 60.797 -0.771 -0.386 1.00 0.00 H new ATOM 0 HG3 PRO A 68 62.547 -0.838 -0.451 1.00 0.00 H new ATOM 0 HD2 PRO A 68 60.767 -0.214 1.905 1.00 0.00 H new ATOM 0 HD3 PRO A 68 62.238 -1.165 1.860 1.00 0.00 H new ATOM 1059 N LEU A 69 62.339 4.278 0.465 1.00 0.00 N ATOM 1060 CA LEU A 69 61.753 5.583 0.726 1.00 0.00 C ATOM 1061 C LEU A 69 60.390 5.717 0.040 1.00 0.00 C ATOM 1062 O LEU A 69 60.007 4.878 -0.777 1.00 0.00 O ATOM 1063 CB LEU A 69 62.705 6.684 0.265 1.00 0.00 C ATOM 1064 CG LEU A 69 64.090 6.657 0.925 1.00 0.00 C ATOM 1065 CD1 LEU A 69 64.934 7.826 0.446 1.00 0.00 C ATOM 1066 CD2 LEU A 69 63.961 6.674 2.442 1.00 0.00 C ATOM 0 H LEU A 69 63.152 4.295 -0.151 1.00 0.00 H new ATOM 0 HA LEU A 69 61.595 5.686 1.800 1.00 0.00 H new ATOM 0 HB2 LEU A 69 62.831 6.607 -0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 69 62.243 7.651 0.463 1.00 0.00 H new ATOM 0 HG LEU A 69 64.590 5.733 0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 69 65.912 7.789 0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 69 65.057 7.767 -0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 69 64.439 8.762 0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 69 64.954 6.654 2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 69 63.440 7.579 2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 69 63.397 5.800 2.769 1.00 0.00 H new ATOM 1078 N LYS A 70 59.666 6.781 0.371 1.00 0.00 N ATOM 1079 CA LYS A 70 58.301 6.969 -0.114 1.00 0.00 C ATOM 1080 C LYS A 70 58.277 7.238 -1.618 1.00 0.00 C ATOM 1081 O LYS A 70 57.358 6.809 -2.322 1.00 0.00 O ATOM 1082 CB LYS A 70 57.629 8.122 0.641 1.00 0.00 C ATOM 1083 CG LYS A 70 56.162 8.363 0.282 1.00 0.00 C ATOM 1084 CD LYS A 70 55.240 7.271 0.821 1.00 0.00 C ATOM 1085 CE LYS A 70 55.166 6.063 -0.103 1.00 0.00 C ATOM 1086 NZ LYS A 70 54.607 6.417 -1.435 1.00 0.00 N ATOM 0 H LYS A 70 60.003 7.530 0.976 1.00 0.00 H new ATOM 0 HA LYS A 70 57.748 6.048 0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 70 57.698 7.925 1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 70 58.189 9.037 0.449 1.00 0.00 H new ATOM 0 HG2 LYS A 70 55.848 9.328 0.680 1.00 0.00 H new ATOM 0 HG3 LYS A 70 56.061 8.417 -0.802 1.00 0.00 H new ATOM 0 HD2 LYS A 70 55.593 6.953 1.802 1.00 0.00 H new ATOM 0 HD3 LYS A 70 54.239 7.680 0.960 1.00 0.00 H new ATOM 0 HE2 LYS A 70 56.163 5.640 -0.228 1.00 0.00 H new ATOM 0 HE3 LYS A 70 54.548 5.292 0.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 53.782 5.817 -1.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 54.317 7.416 -1.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 55.331 6.266 -2.166 1.00 0.00 H new ATOM 1100 N GLY A 71 59.282 7.953 -2.099 1.00 0.00 N ATOM 1101 CA GLY A 71 59.366 8.280 -3.509 1.00 0.00 C ATOM 1102 C GLY A 71 58.414 9.391 -3.900 1.00 0.00 C ATOM 1103 O GLY A 71 58.836 10.507 -4.201 1.00 0.00 O ATOM 0 H GLY A 71 60.049 8.316 -1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 71 60.386 8.578 -3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 71 59.145 7.391 -4.100 1.00 0.00 H new ATOM 1107 N GLY A 72 57.128 9.082 -3.893 1.00 0.00 N ATOM 1108 CA GLY A 72 56.121 10.062 -4.225 1.00 0.00 C ATOM 1109 C GLY A 72 55.011 10.089 -3.200 1.00 0.00 C ATOM 1110 O GLY A 72 54.702 9.064 -2.587 1.00 0.00 O ATOM 0 H GLY A 72 56.762 8.159 -3.660 1.00 0.00 H new ATOM 0 HA2 GLY A 72 56.580 11.048 -4.291 1.00 0.00 H new ATOM 0 HA3 GLY A 72 55.705 9.838 -5.207 1.00 0.00 H new ATOM 1114 N LEU A 73 54.420 11.258 -3.008 1.00 0.00 N ATOM 1115 CA LEU A 73 53.343 11.429 -2.040 1.00 0.00 C ATOM 1116 C LEU A 73 52.235 12.294 -2.646 1.00 0.00 C ATOM 1117 O LEU A 73 51.513 13.003 -1.943 1.00 0.00 O ATOM 1118 CB LEU A 73 53.900 12.080 -0.767 1.00 0.00 C ATOM 1119 CG LEU A 73 52.995 12.006 0.463 1.00 0.00 C ATOM 1120 CD1 LEU A 73 52.818 10.567 0.913 1.00 0.00 C ATOM 1121 CD2 LEU A 73 53.565 12.847 1.593 1.00 0.00 C ATOM 0 H LEU A 73 54.669 12.109 -3.513 1.00 0.00 H new ATOM 0 HA LEU A 73 52.922 10.457 -1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 73 54.852 11.607 -0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 73 54.110 13.128 -0.979 1.00 0.00 H new ATOM 0 HG LEU A 73 52.017 12.404 0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 73 52.171 10.537 1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 73 52.366 9.987 0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 73 53.790 10.142 1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 73 52.909 12.783 2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 73 54.555 12.476 1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 73 53.641 13.886 1.271 1.00 0.00 H new ATOM 1133 N ALA A 74 52.080 12.191 -3.961 1.00 0.00 N ATOM 1134 CA ALA A 74 51.170 13.059 -4.699 1.00 0.00 C ATOM 1135 C ALA A 74 49.727 12.564 -4.646 1.00 0.00 C ATOM 1136 O ALA A 74 48.836 13.165 -5.245 1.00 0.00 O ATOM 1137 CB ALA A 74 51.625 13.182 -6.141 1.00 0.00 C ATOM 0 H ALA A 74 52.575 11.512 -4.540 1.00 0.00 H new ATOM 0 HA ALA A 74 51.195 14.038 -4.221 1.00 0.00 H new ATOM 0 HB1 ALA A 74 50.939 13.832 -6.685 1.00 0.00 H new ATOM 0 HB2 ALA A 74 52.628 13.607 -6.171 1.00 0.00 H new ATOM 0 HB3 ALA A 74 51.634 12.196 -6.605 1.00 0.00 H new ATOM 1143 N TYR A 75 49.492 11.480 -3.923 1.00 0.00 N ATOM 1144 CA TYR A 75 48.150 10.939 -3.793 1.00 0.00 C ATOM 1145 C TYR A 75 47.356 11.748 -2.776 1.00 0.00 C ATOM 1146 O TYR A 75 46.157 11.983 -2.950 1.00 0.00 O ATOM 1147 CB TYR A 75 48.203 9.459 -3.385 1.00 0.00 C ATOM 1148 CG TYR A 75 46.864 8.877 -2.974 1.00 0.00 C ATOM 1149 CD1 TYR A 75 45.887 8.586 -3.917 1.00 0.00 C ATOM 1150 CD2 TYR A 75 46.579 8.628 -1.637 1.00 0.00 C ATOM 1151 CE1 TYR A 75 44.665 8.062 -3.538 1.00 0.00 C ATOM 1152 CE2 TYR A 75 45.360 8.104 -1.251 1.00 0.00 C ATOM 1153 CZ TYR A 75 44.407 7.824 -2.204 1.00 0.00 C ATOM 1154 OH TYR A 75 43.190 7.301 -1.823 1.00 0.00 O ATOM 0 H TYR A 75 50.211 10.960 -3.419 1.00 0.00 H new ATOM 0 HA TYR A 75 47.650 11.008 -4.759 1.00 0.00 H new ATOM 0 HB2 TYR A 75 48.598 8.878 -4.219 1.00 0.00 H new ATOM 0 HB3 TYR A 75 48.904 9.347 -2.558 1.00 0.00 H new ATOM 0 HD1 TYR A 75 46.085 8.772 -4.962 1.00 0.00 H new ATOM 0 HD2 TYR A 75 47.323 8.848 -0.886 1.00 0.00 H new ATOM 0 HE1 TYR A 75 43.916 7.840 -4.283 1.00 0.00 H new ATOM 0 HE2 TYR A 75 45.156 7.915 -0.207 1.00 0.00 H new ATOM 0 HH TYR A 75 43.171 7.193 -0.849 1.00 0.00 H new ATOM 1164 N VAL A 76 48.032 12.190 -1.726 1.00 0.00 N ATOM 1165 CA VAL A 76 47.371 12.919 -0.663 1.00 0.00 C ATOM 1166 C VAL A 76 47.537 14.434 -0.832 1.00 0.00 C ATOM 1167 O VAL A 76 46.536 15.155 -0.893 1.00 0.00 O ATOM 1168 CB VAL A 76 47.865 12.454 0.731 1.00 0.00 C ATOM 1169 CG1 VAL A 76 49.370 12.616 0.890 1.00 0.00 C ATOM 1170 CG2 VAL A 76 47.122 13.185 1.840 1.00 0.00 C ATOM 0 H VAL A 76 49.034 12.055 -1.591 1.00 0.00 H new ATOM 0 HA VAL A 76 46.306 12.696 -0.729 1.00 0.00 H new ATOM 0 HB VAL A 76 47.646 11.389 0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 76 49.670 12.277 1.882 1.00 0.00 H new ATOM 0 HG12 VAL A 76 49.882 12.021 0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 76 49.638 13.666 0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 76 47.485 12.842 2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 76 47.293 14.257 1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 76 46.055 12.980 1.760 1.00 0.00 H new ATOM 1180 N LEU A 77 48.791 14.895 -0.947 1.00 0.00 N ATOM 1181 CA LEU A 77 49.118 16.325 -1.044 1.00 0.00 C ATOM 1182 C LEU A 77 48.270 17.161 -0.086 1.00 0.00 C ATOM 1183 O LEU A 77 48.445 17.098 1.134 1.00 0.00 O ATOM 1184 CB LEU A 77 48.949 16.831 -2.482 1.00 0.00 C ATOM 1185 CG LEU A 77 49.889 16.206 -3.511 1.00 0.00 C ATOM 1186 CD1 LEU A 77 49.598 16.756 -4.898 1.00 0.00 C ATOM 1187 CD2 LEU A 77 51.342 16.456 -3.131 1.00 0.00 C ATOM 0 H LEU A 77 49.608 14.286 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 77 50.163 16.438 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 77 47.921 16.648 -2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 77 49.097 17.911 -2.489 1.00 0.00 H new ATOM 0 HG LEU A 77 49.719 15.129 -3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 77 50.276 16.301 -5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 77 48.569 16.526 -5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 77 49.740 17.837 -4.898 1.00 0.00 H new ATOM 0 HD21 LEU A 77 51.996 16.003 -3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 77 51.528 17.529 -3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 77 51.544 16.015 -2.155 1.00 0.00 H new ATOM 1199 N GLU A 78 47.340 17.926 -0.643 1.00 0.00 N ATOM 1200 CA GLU A 78 46.398 18.694 0.150 1.00 0.00 C ATOM 1201 C GLU A 78 45.220 19.115 -0.724 1.00 0.00 C ATOM 1202 O GLU A 78 45.302 20.083 -1.482 1.00 0.00 O ATOM 1203 CB GLU A 78 47.079 19.911 0.781 1.00 0.00 C ATOM 1204 CG GLU A 78 46.227 20.592 1.838 1.00 0.00 C ATOM 1205 CD GLU A 78 47.007 21.580 2.678 1.00 0.00 C ATOM 1206 OE1 GLU A 78 47.743 21.141 3.588 1.00 0.00 O ATOM 1207 OE2 GLU A 78 46.879 22.799 2.442 1.00 0.00 O ATOM 0 H GLU A 78 47.220 18.029 -1.651 1.00 0.00 H new ATOM 0 HA GLU A 78 46.027 18.071 0.964 1.00 0.00 H new ATOM 0 HB2 GLU A 78 48.022 19.600 1.229 1.00 0.00 H new ATOM 0 HB3 GLU A 78 47.320 20.631 -0.001 1.00 0.00 H new ATOM 0 HG2 GLU A 78 45.400 21.110 1.352 1.00 0.00 H new ATOM 0 HG3 GLU A 78 45.791 19.834 2.489 1.00 0.00 H new ATOM 1214 N HIS A 79 44.142 18.349 -0.643 1.00 0.00 N ATOM 1215 CA HIS A 79 42.954 18.596 -1.455 1.00 0.00 C ATOM 1216 C HIS A 79 41.955 19.462 -0.698 1.00 0.00 C ATOM 1217 O HIS A 79 41.730 20.621 -1.045 1.00 0.00 O ATOM 1218 CB HIS A 79 42.299 17.273 -1.861 1.00 0.00 C ATOM 1219 CG HIS A 79 43.073 16.497 -2.884 1.00 0.00 C ATOM 1220 ND1 HIS A 79 44.008 15.533 -2.562 1.00 0.00 N ATOM 1221 CD2 HIS A 79 43.034 16.539 -4.237 1.00 0.00 C ATOM 1222 CE1 HIS A 79 44.509 15.022 -3.673 1.00 0.00 C ATOM 1223 NE2 HIS A 79 43.934 15.614 -4.698 1.00 0.00 N ATOM 0 H HIS A 79 44.063 17.546 -0.020 1.00 0.00 H new ATOM 0 HA HIS A 79 43.262 19.127 -2.355 1.00 0.00 H new ATOM 0 HB2 HIS A 79 42.171 16.655 -0.972 1.00 0.00 H new ATOM 0 HB3 HIS A 79 41.303 17.478 -2.253 1.00 0.00 H new ATOM 0 HD1 HIS A 79 44.271 15.259 -1.615 1.00 0.00 H new ATOM 0 HD2 HIS A 79 42.410 17.182 -4.840 1.00 0.00 H new ATOM 0 HE1 HIS A 79 45.262 14.250 -3.730 1.00 0.00 H new ATOM 1232 N HIS A 80 41.360 18.892 0.336 1.00 0.00 N ATOM 1233 CA HIS A 80 40.436 19.623 1.184 1.00 0.00 C ATOM 1234 C HIS A 80 41.104 19.921 2.512 1.00 0.00 C ATOM 1235 O HIS A 80 41.069 21.052 2.994 1.00 0.00 O ATOM 1236 CB HIS A 80 39.144 18.831 1.409 1.00 0.00 C ATOM 1237 CG HIS A 80 38.301 18.698 0.178 1.00 0.00 C ATOM 1238 ND1 HIS A 80 37.883 17.485 -0.328 1.00 0.00 N ATOM 1239 CD2 HIS A 80 37.794 19.640 -0.649 1.00 0.00 C ATOM 1240 CE1 HIS A 80 37.159 17.690 -1.412 1.00 0.00 C ATOM 1241 NE2 HIS A 80 37.090 18.987 -1.628 1.00 0.00 N ATOM 0 H HIS A 80 41.502 17.920 0.609 1.00 0.00 H new ATOM 0 HA HIS A 80 40.171 20.556 0.687 1.00 0.00 H new ATOM 0 HB2 HIS A 80 39.397 17.836 1.776 1.00 0.00 H new ATOM 0 HB3 HIS A 80 38.559 19.319 2.189 1.00 0.00 H new ATOM 0 HD2 HIS A 80 37.920 20.709 -0.556 1.00 0.00 H new ATOM 0 HE1 HIS A 80 36.701 16.924 -2.019 1.00 0.00 H new ATOM 0 HE2 HIS A 80 36.593 19.434 -2.399 1.00 0.00 H new ATOM 1250 N HIS A 81 41.724 18.890 3.090 1.00 0.00 N ATOM 1251 CA HIS A 81 42.490 19.028 4.326 1.00 0.00 C ATOM 1252 C HIS A 81 41.581 19.474 5.474 1.00 0.00 C ATOM 1253 O HIS A 81 42.013 20.173 6.392 1.00 0.00 O ATOM 1254 CB HIS A 81 43.639 20.025 4.119 1.00 0.00 C ATOM 1255 CG HIS A 81 44.668 20.008 5.206 1.00 0.00 C ATOM 1256 ND1 HIS A 81 45.077 21.139 5.876 1.00 0.00 N ATOM 1257 CD2 HIS A 81 45.383 18.985 5.731 1.00 0.00 C ATOM 1258 CE1 HIS A 81 45.995 20.812 6.763 1.00 0.00 C ATOM 1259 NE2 HIS A 81 46.198 19.513 6.697 1.00 0.00 N ATOM 0 H HIS A 81 41.708 17.941 2.715 1.00 0.00 H new ATOM 0 HA HIS A 81 42.913 18.059 4.591 1.00 0.00 H new ATOM 0 HB2 HIS A 81 44.127 19.808 3.169 1.00 0.00 H new ATOM 0 HB3 HIS A 81 43.224 21.030 4.042 1.00 0.00 H new ATOM 0 HD2 HIS A 81 45.322 17.946 5.442 1.00 0.00 H new ATOM 0 HE1 HIS A 81 46.497 21.495 7.432 1.00 0.00 H new ATOM 0 HE2 HIS A 81 46.855 18.986 7.272 1.00 0.00 H new ATOM 1268 N HIS A 82 40.329 19.032 5.437 1.00 0.00 N ATOM 1269 CA HIS A 82 39.356 19.431 6.444 1.00 0.00 C ATOM 1270 C HIS A 82 39.486 18.552 7.682 1.00 0.00 C ATOM 1271 O HIS A 82 38.711 17.615 7.879 1.00 0.00 O ATOM 1272 CB HIS A 82 37.930 19.363 5.885 1.00 0.00 C ATOM 1273 CG HIS A 82 36.905 20.023 6.760 1.00 0.00 C ATOM 1274 ND1 HIS A 82 36.526 21.336 6.603 1.00 0.00 N ATOM 1275 CD2 HIS A 82 36.175 19.546 7.797 1.00 0.00 C ATOM 1276 CE1 HIS A 82 35.612 21.639 7.502 1.00 0.00 C ATOM 1277 NE2 HIS A 82 35.379 20.573 8.242 1.00 0.00 N ATOM 0 H HIS A 82 39.966 18.400 4.723 1.00 0.00 H new ATOM 0 HA HIS A 82 39.560 20.464 6.725 1.00 0.00 H new ATOM 0 HB2 HIS A 82 37.912 19.833 4.902 1.00 0.00 H new ATOM 0 HB3 HIS A 82 37.655 18.318 5.743 1.00 0.00 H new ATOM 0 HD2 HIS A 82 36.212 18.544 8.199 1.00 0.00 H new ATOM 0 HE1 HIS A 82 35.133 22.601 7.614 1.00 0.00 H new ATOM 0 HE2 HIS A 82 34.717 20.520 9.016 1.00 0.00 H new ATOM 1286 N HIS A 83 40.497 18.838 8.487 1.00 0.00 N ATOM 1287 CA HIS A 83 40.740 18.099 9.719 1.00 0.00 C ATOM 1288 C HIS A 83 41.480 18.958 10.727 1.00 0.00 C ATOM 1289 O HIS A 83 42.676 19.219 10.579 1.00 0.00 O ATOM 1290 CB HIS A 83 41.540 16.822 9.448 1.00 0.00 C ATOM 1291 CG HIS A 83 40.691 15.593 9.384 1.00 0.00 C ATOM 1292 ND1 HIS A 83 40.159 14.996 10.502 1.00 0.00 N ATOM 1293 CD2 HIS A 83 40.276 14.854 8.331 1.00 0.00 C ATOM 1294 CE1 HIS A 83 39.455 13.942 10.143 1.00 0.00 C ATOM 1295 NE2 HIS A 83 39.506 13.831 8.828 1.00 0.00 N ATOM 0 H HIS A 83 41.169 19.584 8.308 1.00 0.00 H new ATOM 0 HA HIS A 83 39.769 17.824 10.131 1.00 0.00 H new ATOM 0 HB2 HIS A 83 42.079 16.932 8.507 1.00 0.00 H new ATOM 0 HB3 HIS A 83 42.288 16.698 10.231 1.00 0.00 H new ATOM 0 HD2 HIS A 83 40.507 15.035 7.292 1.00 0.00 H new ATOM 0 HE1 HIS A 83 38.925 13.280 10.812 1.00 0.00 H new ATOM 0 HE2 HIS A 83 39.050 13.106 8.274 1.00 0.00 H new ATOM 1304 N HIS A 84 40.754 19.422 11.731 1.00 0.00 N ATOM 1305 CA HIS A 84 41.341 20.199 12.811 1.00 0.00 C ATOM 1306 C HIS A 84 40.789 19.719 14.147 1.00 0.00 C ATOM 1307 O HIS A 84 39.865 20.366 14.678 1.00 0.00 O ATOM 1308 CB HIS A 84 41.051 21.697 12.634 1.00 0.00 C ATOM 1309 CG HIS A 84 41.741 22.327 11.462 1.00 0.00 C ATOM 1310 ND1 HIS A 84 42.992 22.892 11.542 1.00 0.00 N ATOM 1311 CD2 HIS A 84 41.339 22.493 10.180 1.00 0.00 C ATOM 1312 CE1 HIS A 84 43.331 23.378 10.366 1.00 0.00 C ATOM 1313 NE2 HIS A 84 42.346 23.150 9.519 1.00 0.00 N ATOM 1314 OXT HIS A 84 41.256 18.676 14.644 1.00 0.00 O ATOM 0 H HIS A 84 39.749 19.272 11.821 1.00 0.00 H new ATOM 0 HA HIS A 84 42.421 20.057 12.789 1.00 0.00 H new ATOM 0 HB2 HIS A 84 39.975 21.836 12.525 1.00 0.00 H new ATOM 0 HB3 HIS A 84 41.350 22.222 13.541 1.00 0.00 H new ATOM 0 HD2 HIS A 84 40.400 22.169 9.756 1.00 0.00 H new ATOM 0 HE1 HIS A 84 44.259 23.879 10.134 1.00 0.00 H new ATOM 0 HE2 HIS A 84 42.335 23.418 8.535 1.00 0.00 H new TER 1323 HIS A 84