USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 572 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 NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 67 SER OG : rot 180:sc= 0.78 USER MOD Set 1.2: A 70 LYS NZ :NH3+ -128:sc= 1.41 (180deg=0.82) USER MOD Set 2.1: A 47 ASN : amide:sc= -0.0235 K(o=-2.7,f=-3.9) USER MOD Set 2.2: A 66 HIS : no HD1:sc= -2.71! C(o=-2.7!,f=-4.5!) USER MOD Set 3.1: A 5 HIS : no HE2:sc= -0.437 K(o=-0.99,f=-0.11) USER MOD Set 3.2: A 7 HIS : no HE2:sc= -0.555 K(o=-0.99,f=-0.25) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc=-0.00293 (180deg=-0.218) USER MOD Single : A 3 HIS : no HD1:sc=-0.00119 X(o=-0.0012,f=-0.3) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 8 HIS : no HD1:sc= -0.0456 X(o=-0.046,f=-0.15) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -164:sc= -0.144 (180deg=-0.55) USER MOD Single : A 13 ASN : amide:sc= 0.0764 K(o=0.076,f=-0.73) USER MOD Single : A 15 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0654) USER MOD Single : A 17 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0155) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 44:sc= -0.151 USER MOD Single : A 29 ASN : amide:sc= 1.52 K(o=1.5,f=-3.4!) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 39 THR OG1 : rot -18:sc= 0.0227 USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 52 SER OG : rot 32:sc= 0.932 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.388 X(o=-0.39,f=-0.053) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.1 K(o=-0.1,f=-2!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 170:sc= -0.0229 (180deg=-0.164) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.802 -14.424 90.515 1.00 34.54 N ATOM 2 CA MET A 1 -8.396 -13.045 90.141 1.00 41.32 C ATOM 3 C MET A 1 -8.275 -12.945 88.616 1.00 54.02 C ATOM 4 O MET A 1 -7.464 -13.661 88.014 1.00 5.44 O ATOM 5 CB MET A 1 -7.055 -12.667 90.832 1.00 25.24 C ATOM 6 CG MET A 1 -7.109 -12.687 92.362 1.00 44.12 C ATOM 7 SD MET A 1 -5.496 -12.361 93.111 1.00 55.23 S ATOM 8 CE MET A 1 -5.854 -12.561 94.860 1.00 54.43 C ATOM 0 H1 MET A 1 -9.097 -14.441 91.512 1.00 34.54 H new ATOM 0 H2 MET A 1 -9.595 -14.727 89.914 1.00 34.54 H new ATOM 0 H3 MET A 1 -7.999 -15.071 90.381 1.00 34.54 H new ATOM 0 HA MET A 1 -9.155 -12.340 90.480 1.00 41.32 H new ATOM 0 HB2 MET A 1 -6.280 -13.357 90.498 1.00 25.24 H new ATOM 0 HB3 MET A 1 -6.758 -11.671 90.503 1.00 25.24 H new ATOM 0 HG2 MET A 1 -7.825 -11.941 92.708 1.00 44.12 H new ATOM 0 HG3 MET A 1 -7.473 -13.658 92.698 1.00 44.12 H new ATOM 0 HE1 MET A 1 -4.947 -12.388 95.439 1.00 54.43 H new ATOM 0 HE2 MET A 1 -6.618 -11.843 95.159 1.00 54.43 H new ATOM 0 HE3 MET A 1 -6.215 -13.573 95.044 1.00 54.43 H new ATOM 20 N GLY A 2 -9.083 -12.057 87.996 1.00 4.22 N ATOM 21 CA GLY A 2 -9.146 -11.929 86.532 1.00 35.24 C ATOM 22 C GLY A 2 -10.184 -12.864 85.915 1.00 12.42 C ATOM 23 O GLY A 2 -10.228 -14.052 86.249 1.00 33.23 O ATOM 0 H GLY A 2 -9.702 -11.417 88.494 1.00 4.22 H new ATOM 0 HA2 GLY A 2 -9.386 -10.899 86.269 1.00 35.24 H new ATOM 0 HA3 GLY A 2 -8.166 -12.146 86.108 1.00 35.24 H new ATOM 27 N HIS A 3 -11.009 -12.332 85.001 1.00 2.10 N ATOM 28 CA HIS A 3 -12.111 -13.082 84.369 1.00 35.04 C ATOM 29 C HIS A 3 -12.258 -12.646 82.904 1.00 75.42 C ATOM 30 O HIS A 3 -12.219 -11.449 82.601 1.00 21.50 O ATOM 31 CB HIS A 3 -13.427 -12.863 85.161 1.00 51.21 C ATOM 32 CG HIS A 3 -13.866 -11.423 85.287 1.00 21.11 C ATOM 33 ND1 HIS A 3 -13.239 -10.522 86.119 1.00 22.43 N ATOM 34 CD2 HIS A 3 -14.858 -10.721 84.677 1.00 50.31 C ATOM 35 CE1 HIS A 3 -13.817 -9.343 86.023 1.00 43.01 C ATOM 36 NE2 HIS A 3 -14.804 -9.434 85.157 1.00 22.10 N ATOM 0 H HIS A 3 -10.933 -11.368 84.677 1.00 2.10 H new ATOM 0 HA HIS A 3 -11.886 -14.148 84.386 1.00 35.04 H new ATOM 0 HB2 HIS A 3 -14.223 -13.428 84.676 1.00 51.21 H new ATOM 0 HB3 HIS A 3 -13.304 -13.278 86.161 1.00 51.21 H new ATOM 0 HD2 HIS A 3 -15.559 -11.104 83.950 1.00 50.31 H new ATOM 0 HE1 HIS A 3 -13.530 -8.453 86.563 1.00 43.01 H new ATOM 0 HE2 HIS A 3 -15.427 -8.673 84.886 1.00 22.10 H new ATOM 45 N HIS A 4 -12.392 -13.625 81.990 1.00 53.45 N ATOM 46 CA HIS A 4 -12.489 -13.368 80.533 1.00 20.24 C ATOM 47 C HIS A 4 -13.548 -14.279 79.898 1.00 14.51 C ATOM 48 O HIS A 4 -13.916 -15.316 80.459 1.00 31.21 O ATOM 49 CB HIS A 4 -11.113 -13.578 79.839 1.00 62.21 C ATOM 50 CG HIS A 4 -10.047 -12.624 80.315 1.00 74.10 C ATOM 51 ND1 HIS A 4 -9.097 -12.968 81.253 1.00 64.54 N ATOM 52 CD2 HIS A 4 -9.809 -11.322 80.013 1.00 31.03 C ATOM 53 CE1 HIS A 4 -8.333 -11.931 81.504 1.00 30.14 C ATOM 54 NE2 HIS A 4 -8.738 -10.920 80.766 1.00 13.44 N ATOM 0 H HIS A 4 -12.436 -14.614 82.235 1.00 53.45 H new ATOM 0 HA HIS A 4 -12.788 -12.329 80.392 1.00 20.24 H new ATOM 0 HB2 HIS A 4 -10.779 -14.601 80.015 1.00 62.21 H new ATOM 0 HB3 HIS A 4 -11.237 -13.464 78.762 1.00 62.21 H new ATOM 0 HD2 HIS A 4 -10.361 -10.716 79.310 1.00 31.03 H new ATOM 0 HE1 HIS A 4 -7.508 -11.911 82.201 1.00 30.14 H new ATOM 0 HE2 HIS A 4 -8.322 -9.989 80.756 1.00 13.44 H new ATOM 63 N HIS A 5 -14.017 -13.873 78.711 1.00 52.12 N ATOM 64 CA HIS A 5 -15.059 -14.586 77.955 1.00 42.13 C ATOM 65 C HIS A 5 -14.719 -14.559 76.459 1.00 31.22 C ATOM 66 O HIS A 5 -13.853 -13.793 76.014 1.00 44.54 O ATOM 67 CB HIS A 5 -16.446 -13.944 78.214 1.00 43.33 C ATOM 68 CG HIS A 5 -16.548 -12.502 77.777 1.00 0.41 C ATOM 69 ND1 HIS A 5 -17.131 -12.105 76.588 1.00 54.50 N ATOM 70 CD2 HIS A 5 -16.138 -11.356 78.377 1.00 44.02 C ATOM 71 CE1 HIS A 5 -17.071 -10.793 76.488 1.00 55.11 C ATOM 72 NE2 HIS A 5 -16.471 -10.317 77.554 1.00 53.12 N ATOM 0 H HIS A 5 -13.681 -13.032 78.242 1.00 52.12 H new ATOM 0 HA HIS A 5 -15.099 -15.623 78.288 1.00 42.13 H new ATOM 0 HB2 HIS A 5 -17.207 -14.525 77.693 1.00 43.33 H new ATOM 0 HB3 HIS A 5 -16.671 -14.007 79.279 1.00 43.33 H new ATOM 0 HD1 HIS A 5 -17.543 -12.731 75.896 1.00 54.50 H new ATOM 0 HD2 HIS A 5 -15.639 -11.279 79.332 1.00 44.02 H new ATOM 0 HE1 HIS A 5 -17.452 -10.206 75.665 1.00 55.11 H new ATOM 81 N HIS A 6 -15.416 -15.404 75.697 1.00 42.34 N ATOM 82 CA HIS A 6 -15.204 -15.541 74.248 1.00 3.13 C ATOM 83 C HIS A 6 -16.083 -14.556 73.460 1.00 62.33 C ATOM 84 O HIS A 6 -16.954 -13.888 74.028 1.00 12.33 O ATOM 85 CB HIS A 6 -15.501 -16.998 73.806 1.00 13.31 C ATOM 86 CG HIS A 6 -14.544 -18.022 74.354 1.00 4.12 C ATOM 87 ND1 HIS A 6 -13.556 -18.618 73.599 1.00 73.15 N ATOM 88 CD2 HIS A 6 -14.444 -18.570 75.589 1.00 61.24 C ATOM 89 CE1 HIS A 6 -12.897 -19.482 74.344 1.00 35.43 C ATOM 90 NE2 HIS A 6 -13.415 -19.469 75.553 1.00 30.31 N ATOM 0 H HIS A 6 -16.145 -16.015 76.064 1.00 42.34 H new ATOM 0 HA HIS A 6 -14.162 -15.305 74.032 1.00 3.13 H new ATOM 0 HB2 HIS A 6 -16.512 -17.260 74.118 1.00 13.31 H new ATOM 0 HB3 HIS A 6 -15.481 -17.046 72.717 1.00 13.31 H new ATOM 0 HD2 HIS A 6 -15.063 -18.339 76.444 1.00 61.24 H new ATOM 0 HE1 HIS A 6 -12.071 -20.097 74.017 1.00 35.43 H new ATOM 0 HE2 HIS A 6 -13.099 -20.039 76.338 1.00 30.31 H new ATOM 99 N HIS A 7 -15.825 -14.485 72.147 1.00 33.14 N ATOM 100 CA HIS A 7 -16.593 -13.676 71.175 1.00 63.45 C ATOM 101 C HIS A 7 -16.728 -14.458 69.861 1.00 24.24 C ATOM 102 O HIS A 7 -15.738 -14.996 69.357 1.00 33.21 O ATOM 103 CB HIS A 7 -15.915 -12.295 70.917 1.00 64.21 C ATOM 104 CG HIS A 7 -16.254 -11.207 71.915 1.00 12.21 C ATOM 105 ND1 HIS A 7 -15.488 -10.068 72.083 1.00 14.24 N ATOM 106 CD2 HIS A 7 -17.309 -11.057 72.756 1.00 52.43 C ATOM 107 CE1 HIS A 7 -16.054 -9.277 72.971 1.00 22.34 C ATOM 108 NE2 HIS A 7 -17.157 -9.849 73.392 1.00 31.22 N ATOM 0 H HIS A 7 -15.058 -15.000 71.715 1.00 33.14 H new ATOM 0 HA HIS A 7 -17.581 -13.481 71.591 1.00 63.45 H new ATOM 0 HB2 HIS A 7 -14.834 -12.436 70.912 1.00 64.21 H new ATOM 0 HB3 HIS A 7 -16.197 -11.952 69.922 1.00 64.21 H new ATOM 0 HD1 HIS A 7 -14.616 -9.870 71.593 1.00 14.24 H new ATOM 0 HD2 HIS A 7 -18.118 -11.758 72.899 1.00 52.43 H new ATOM 0 HE1 HIS A 7 -15.675 -8.320 73.297 1.00 22.34 H new ATOM 117 N HIS A 8 -17.952 -14.514 69.310 1.00 64.44 N ATOM 118 CA HIS A 8 -18.242 -15.250 68.060 1.00 2.24 C ATOM 119 C HIS A 8 -18.134 -14.315 66.839 1.00 73.22 C ATOM 120 O HIS A 8 -18.463 -13.126 66.928 1.00 31.11 O ATOM 121 CB HIS A 8 -19.643 -15.914 68.142 1.00 25.22 C ATOM 122 CG HIS A 8 -20.793 -14.962 68.354 1.00 33.41 C ATOM 123 ND1 HIS A 8 -21.287 -14.645 69.601 1.00 31.45 N ATOM 124 CD2 HIS A 8 -21.562 -14.268 67.478 1.00 11.41 C ATOM 125 CE1 HIS A 8 -22.292 -13.804 69.479 1.00 63.12 C ATOM 126 NE2 HIS A 8 -22.478 -13.559 68.204 1.00 10.24 N ATOM 0 H HIS A 8 -18.768 -14.054 69.714 1.00 64.44 H new ATOM 0 HA HIS A 8 -17.500 -16.039 67.937 1.00 2.24 H new ATOM 0 HB2 HIS A 8 -19.818 -16.471 67.221 1.00 25.22 H new ATOM 0 HB3 HIS A 8 -19.637 -16.638 68.956 1.00 25.22 H new ATOM 0 HD2 HIS A 8 -21.468 -14.274 66.402 1.00 11.41 H new ATOM 0 HE1 HIS A 8 -22.867 -13.386 70.292 1.00 63.12 H new ATOM 0 HE2 HIS A 8 -23.190 -12.940 67.817 1.00 10.24 H new ATOM 135 N SER A 9 -17.671 -14.864 65.704 1.00 71.04 N ATOM 136 CA SER A 9 -17.537 -14.119 64.440 1.00 14.33 C ATOM 137 C SER A 9 -17.985 -15.012 63.274 1.00 32.15 C ATOM 138 O SER A 9 -17.580 -16.182 63.193 1.00 32.11 O ATOM 139 CB SER A 9 -16.074 -13.651 64.248 1.00 11.32 C ATOM 140 OG SER A 9 -15.912 -12.922 63.044 1.00 53.31 O ATOM 0 H SER A 9 -17.378 -15.839 65.636 1.00 71.04 H new ATOM 0 HA SER A 9 -18.172 -13.233 64.469 1.00 14.33 H new ATOM 0 HB2 SER A 9 -15.777 -13.030 65.093 1.00 11.32 H new ATOM 0 HB3 SER A 9 -15.412 -14.517 64.241 1.00 11.32 H new ATOM 0 HG SER A 9 -14.978 -12.640 62.955 1.00 53.31 H new ATOM 146 N HIS A 10 -18.825 -14.456 62.387 1.00 35.31 N ATOM 147 CA HIS A 10 -19.372 -15.172 61.221 1.00 24.52 C ATOM 148 C HIS A 10 -18.383 -15.140 60.042 1.00 73.55 C ATOM 149 O HIS A 10 -17.270 -14.612 60.159 1.00 52.02 O ATOM 150 CB HIS A 10 -20.731 -14.546 60.801 1.00 54.43 C ATOM 151 CG HIS A 10 -21.820 -14.695 61.823 1.00 60.50 C ATOM 152 ND1 HIS A 10 -22.298 -13.648 62.590 1.00 35.43 N ATOM 153 CD2 HIS A 10 -22.537 -15.781 62.201 1.00 60.40 C ATOM 154 CE1 HIS A 10 -23.247 -14.087 63.389 1.00 51.33 C ATOM 155 NE2 HIS A 10 -23.413 -15.372 63.174 1.00 50.33 N ATOM 0 H HIS A 10 -19.147 -13.491 62.458 1.00 35.31 H new ATOM 0 HA HIS A 10 -19.531 -16.213 61.501 1.00 24.52 H new ATOM 0 HB2 HIS A 10 -20.582 -13.486 60.597 1.00 54.43 H new ATOM 0 HB3 HIS A 10 -21.058 -15.007 59.869 1.00 54.43 H new ATOM 0 HD2 HIS A 10 -22.437 -16.782 61.809 1.00 60.40 H new ATOM 0 HE1 HIS A 10 -23.797 -13.491 64.102 1.00 51.33 H new ATOM 0 HE2 HIS A 10 -24.086 -15.970 63.654 1.00 50.33 H new ATOM 164 N MET A 11 -18.792 -15.730 58.910 1.00 0.41 N ATOM 165 CA MET A 11 -18.017 -15.700 57.663 1.00 60.24 C ATOM 166 C MET A 11 -18.833 -14.931 56.603 1.00 44.34 C ATOM 167 O MET A 11 -19.985 -15.300 56.338 1.00 42.30 O ATOM 168 CB MET A 11 -17.698 -17.149 57.196 1.00 24.14 C ATOM 169 CG MET A 11 -16.766 -17.238 55.975 1.00 33.32 C ATOM 170 SD MET A 11 -16.435 -18.943 55.467 1.00 54.24 S ATOM 171 CE MET A 11 -15.668 -19.644 56.935 1.00 52.01 C ATOM 0 H MET A 11 -19.671 -16.242 58.834 1.00 0.41 H new ATOM 0 HA MET A 11 -17.065 -15.193 57.817 1.00 60.24 H new ATOM 0 HB2 MET A 11 -17.243 -17.692 58.024 1.00 24.14 H new ATOM 0 HB3 MET A 11 -18.634 -17.655 56.960 1.00 24.14 H new ATOM 0 HG2 MET A 11 -17.214 -16.696 55.142 1.00 33.32 H new ATOM 0 HG3 MET A 11 -15.823 -16.743 56.207 1.00 33.32 H new ATOM 0 HE1 MET A 11 -15.166 -20.576 56.674 1.00 52.01 H new ATOM 0 HE2 MET A 11 -14.939 -18.940 57.336 1.00 52.01 H new ATOM 0 HE3 MET A 11 -16.433 -19.842 57.686 1.00 52.01 H new ATOM 181 N PRO A 12 -18.267 -13.837 55.997 1.00 21.51 N ATOM 182 CA PRO A 12 -19.018 -12.971 55.057 1.00 23.40 C ATOM 183 C PRO A 12 -19.267 -13.660 53.700 1.00 50.21 C ATOM 184 O PRO A 12 -18.406 -14.396 53.204 1.00 4.35 O ATOM 185 CB PRO A 12 -18.096 -11.737 54.910 1.00 13.14 C ATOM 186 CG PRO A 12 -16.714 -12.264 55.133 1.00 44.32 C ATOM 187 CD PRO A 12 -16.852 -13.369 56.162 1.00 71.13 C ATOM 0 HA PRO A 12 -20.016 -12.723 55.419 1.00 23.40 H new ATOM 0 HB2 PRO A 12 -18.193 -11.286 53.922 1.00 13.14 H new ATOM 0 HB3 PRO A 12 -18.348 -10.966 55.638 1.00 13.14 H new ATOM 0 HG2 PRO A 12 -16.287 -12.645 54.205 1.00 44.32 H new ATOM 0 HG3 PRO A 12 -16.049 -11.478 55.491 1.00 44.32 H new ATOM 0 HD2 PRO A 12 -16.141 -14.175 55.981 1.00 71.13 H new ATOM 0 HD3 PRO A 12 -16.667 -13.001 57.171 1.00 71.13 H new ATOM 195 N ASN A 13 -20.457 -13.423 53.117 1.00 1.13 N ATOM 196 CA ASN A 13 -20.822 -13.938 51.785 1.00 53.11 C ATOM 197 C ASN A 13 -20.100 -13.119 50.700 1.00 61.43 C ATOM 198 O ASN A 13 -19.904 -11.911 50.862 1.00 11.40 O ATOM 199 CB ASN A 13 -22.363 -13.876 51.584 1.00 10.42 C ATOM 200 CG ASN A 13 -22.836 -14.454 50.237 1.00 22.13 C ATOM 201 OD1 ASN A 13 -22.916 -13.748 49.226 1.00 51.41 O ATOM 202 ND2 ASN A 13 -23.154 -15.737 50.213 1.00 4.42 N ATOM 0 H ASN A 13 -21.192 -12.869 53.557 1.00 1.13 H new ATOM 0 HA ASN A 13 -20.512 -14.980 51.706 1.00 53.11 H new ATOM 0 HB2 ASN A 13 -22.848 -14.421 52.394 1.00 10.42 H new ATOM 0 HB3 ASN A 13 -22.689 -12.838 51.658 1.00 10.42 H new ATOM 0 HD21 ASN A 13 -23.475 -16.167 49.345 1.00 4.42 H new ATOM 0 HD22 ASN A 13 -23.079 -16.297 51.062 1.00 4.42 H new ATOM 209 N GLY A 14 -19.685 -13.795 49.626 1.00 2.21 N ATOM 210 CA GLY A 14 -19.043 -13.154 48.479 1.00 41.54 C ATOM 211 C GLY A 14 -19.450 -13.812 47.177 1.00 52.01 C ATOM 212 O GLY A 14 -18.729 -13.717 46.177 1.00 43.40 O ATOM 0 H GLY A 14 -19.786 -14.805 49.528 1.00 2.21 H new ATOM 0 HA2 GLY A 14 -19.311 -12.098 48.454 1.00 41.54 H new ATOM 0 HA3 GLY A 14 -17.960 -13.205 48.591 1.00 41.54 H new ATOM 216 N LYS A 15 -20.612 -14.492 47.189 1.00 54.02 N ATOM 217 CA LYS A 15 -21.137 -15.201 46.020 1.00 55.40 C ATOM 218 C LYS A 15 -21.874 -14.207 45.099 1.00 33.12 C ATOM 219 O LYS A 15 -23.083 -13.996 45.240 1.00 14.02 O ATOM 220 CB LYS A 15 -22.055 -16.372 46.458 1.00 41.20 C ATOM 221 CG LYS A 15 -22.655 -17.173 45.277 1.00 61.34 C ATOM 222 CD LYS A 15 -23.643 -18.276 45.711 1.00 61.15 C ATOM 223 CE LYS A 15 -24.313 -18.959 44.501 1.00 63.13 C ATOM 224 NZ LYS A 15 -23.320 -19.547 43.562 1.00 22.12 N ATOM 0 H LYS A 15 -21.209 -14.562 48.013 1.00 54.02 H new ATOM 0 HA LYS A 15 -20.310 -15.635 45.458 1.00 55.40 H new ATOM 0 HB2 LYS A 15 -21.484 -17.051 47.092 1.00 41.20 H new ATOM 0 HB3 LYS A 15 -22.868 -15.976 47.066 1.00 41.20 H new ATOM 0 HG2 LYS A 15 -23.167 -16.484 44.605 1.00 61.34 H new ATOM 0 HG3 LYS A 15 -21.843 -17.628 44.709 1.00 61.34 H new ATOM 0 HD2 LYS A 15 -23.115 -19.024 46.303 1.00 61.15 H new ATOM 0 HD3 LYS A 15 -24.410 -17.844 46.354 1.00 61.15 H new ATOM 0 HE2 LYS A 15 -24.983 -19.742 44.854 1.00 63.13 H new ATOM 0 HE3 LYS A 15 -24.926 -18.231 43.969 1.00 63.13 H new ATOM 0 HZ1 LYS A 15 -23.816 -20.095 42.830 1.00 22.12 H new ATOM 0 HZ2 LYS A 15 -22.773 -18.785 43.113 1.00 22.12 H new ATOM 0 HZ3 LYS A 15 -22.675 -20.173 44.086 1.00 22.12 H new ATOM 238 N LEU A 16 -21.080 -13.559 44.232 1.00 71.54 N ATOM 239 CA LEU A 16 -21.516 -12.604 43.183 1.00 74.15 C ATOM 240 C LEU A 16 -20.237 -12.114 42.457 1.00 25.33 C ATOM 241 O LEU A 16 -19.127 -12.259 43.001 1.00 32.11 O ATOM 242 CB LEU A 16 -22.333 -11.387 43.783 1.00 54.12 C ATOM 243 CG LEU A 16 -23.729 -11.052 43.122 1.00 41.35 C ATOM 244 CD1 LEU A 16 -23.609 -10.722 41.619 1.00 64.14 C ATOM 245 CD2 LEU A 16 -24.761 -12.184 43.361 1.00 12.51 C ATOM 0 H LEU A 16 -20.068 -13.688 44.238 1.00 71.54 H new ATOM 0 HA LEU A 16 -22.194 -13.100 42.489 1.00 74.15 H new ATOM 0 HB2 LEU A 16 -22.500 -11.583 44.842 1.00 54.12 H new ATOM 0 HB3 LEU A 16 -21.707 -10.497 43.718 1.00 54.12 H new ATOM 0 HG LEU A 16 -24.094 -10.152 43.618 1.00 41.35 H new ATOM 0 HD11 LEU A 16 -24.597 -10.500 41.215 1.00 64.14 H new ATOM 0 HD12 LEU A 16 -22.960 -9.856 41.487 1.00 64.14 H new ATOM 0 HD13 LEU A 16 -23.185 -11.577 41.092 1.00 64.14 H new ATOM 0 HD21 LEU A 16 -25.708 -11.918 42.892 1.00 12.51 H new ATOM 0 HD22 LEU A 16 -24.390 -13.112 42.927 1.00 12.51 H new ATOM 0 HD23 LEU A 16 -24.912 -12.319 44.432 1.00 12.51 H new ATOM 257 N LYS A 17 -20.401 -11.559 41.232 1.00 23.31 N ATOM 258 CA LYS A 17 -19.292 -10.999 40.420 1.00 43.12 C ATOM 259 C LYS A 17 -18.285 -12.103 40.028 1.00 44.22 C ATOM 260 O LYS A 17 -17.076 -11.863 39.929 1.00 11.24 O ATOM 261 CB LYS A 17 -18.586 -9.777 41.131 1.00 13.22 C ATOM 262 CG LYS A 17 -19.321 -8.422 40.972 1.00 23.42 C ATOM 263 CD LYS A 17 -20.660 -8.338 41.746 1.00 33.24 C ATOM 264 CE LYS A 17 -21.494 -7.113 41.326 1.00 42.05 C ATOM 265 NZ LYS A 17 -20.756 -5.831 41.479 1.00 41.32 N ATOM 0 H LYS A 17 -21.311 -11.487 40.777 1.00 23.31 H new ATOM 0 HA LYS A 17 -19.726 -10.605 39.501 1.00 43.12 H new ATOM 0 HB2 LYS A 17 -18.489 -9.999 42.194 1.00 13.22 H new ATOM 0 HB3 LYS A 17 -17.576 -9.676 40.733 1.00 13.22 H new ATOM 0 HG2 LYS A 17 -18.665 -7.622 41.314 1.00 23.42 H new ATOM 0 HG3 LYS A 17 -19.513 -8.246 39.914 1.00 23.42 H new ATOM 0 HD2 LYS A 17 -21.237 -9.246 41.572 1.00 33.24 H new ATOM 0 HD3 LYS A 17 -20.458 -8.289 42.816 1.00 33.24 H new ATOM 0 HE2 LYS A 17 -21.801 -7.228 40.286 1.00 42.05 H new ATOM 0 HE3 LYS A 17 -22.404 -7.076 41.925 1.00 42.05 H new ATOM 0 HZ1 LYS A 17 -21.396 -5.036 41.280 1.00 41.32 H new ATOM 0 HZ2 LYS A 17 -20.397 -5.751 42.452 1.00 41.32 H new ATOM 0 HZ3 LYS A 17 -19.958 -5.808 40.813 1.00 41.32 H new ATOM 279 N CYS A 18 -18.807 -13.315 39.772 1.00 43.13 N ATOM 280 CA CYS A 18 -17.990 -14.467 39.374 1.00 14.03 C ATOM 281 C CYS A 18 -18.772 -15.319 38.361 1.00 2.33 C ATOM 282 O CYS A 18 -19.580 -16.176 38.750 1.00 13.20 O ATOM 283 CB CYS A 18 -17.576 -15.308 40.612 1.00 1.21 C ATOM 284 SG CYS A 18 -16.482 -16.694 40.224 1.00 2.42 S ATOM 0 H CYS A 18 -19.804 -13.520 39.836 1.00 43.13 H new ATOM 0 HA CYS A 18 -17.073 -14.111 38.904 1.00 14.03 H new ATOM 0 HB2 CYS A 18 -17.080 -14.657 41.332 1.00 1.21 H new ATOM 0 HB3 CYS A 18 -18.475 -15.691 41.095 1.00 1.21 H new ATOM 0 HG CYS A 18 -16.189 -17.335 41.317 1.00 2.42 H new ATOM 290 N ASP A 19 -18.567 -15.042 37.062 1.00 63.35 N ATOM 291 CA ASP A 19 -19.259 -15.732 35.966 1.00 72.44 C ATOM 292 C ASP A 19 -18.492 -15.494 34.658 1.00 41.10 C ATOM 293 O ASP A 19 -17.781 -14.492 34.522 1.00 12.24 O ATOM 294 CB ASP A 19 -20.727 -15.223 35.849 1.00 51.14 C ATOM 295 CG ASP A 19 -21.528 -15.918 34.734 1.00 25.41 C ATOM 296 OD1 ASP A 19 -21.802 -17.134 34.854 1.00 13.14 O ATOM 297 OD2 ASP A 19 -21.917 -15.250 33.752 1.00 40.11 O ATOM 0 H ASP A 19 -17.912 -14.328 36.744 1.00 63.35 H new ATOM 0 HA ASP A 19 -19.291 -16.802 36.169 1.00 72.44 H new ATOM 0 HB2 ASP A 19 -21.234 -15.378 36.801 1.00 51.14 H new ATOM 0 HB3 ASP A 19 -20.718 -14.149 35.664 1.00 51.14 H new ATOM 302 N VAL A 20 -18.641 -16.415 33.704 1.00 44.03 N ATOM 303 CA VAL A 20 -17.949 -16.362 32.410 1.00 22.52 C ATOM 304 C VAL A 20 -18.658 -15.402 31.429 1.00 3.02 C ATOM 305 O VAL A 20 -19.885 -15.220 31.499 1.00 64.44 O ATOM 306 CB VAL A 20 -17.854 -17.804 31.790 1.00 15.34 C ATOM 307 CG1 VAL A 20 -17.025 -18.738 32.703 1.00 73.25 C ATOM 308 CG2 VAL A 20 -19.258 -18.410 31.508 1.00 23.33 C ATOM 0 H VAL A 20 -19.250 -17.227 33.806 1.00 44.03 H new ATOM 0 HA VAL A 20 -16.943 -15.978 32.581 1.00 22.52 H new ATOM 0 HB VAL A 20 -17.344 -17.713 30.831 1.00 15.34 H new ATOM 0 HG11 VAL A 20 -16.972 -19.731 32.256 1.00 73.25 H new ATOM 0 HG12 VAL A 20 -16.018 -18.336 32.816 1.00 73.25 H new ATOM 0 HG13 VAL A 20 -17.500 -18.806 33.681 1.00 73.25 H new ATOM 0 HG21 VAL A 20 -19.145 -19.406 31.080 1.00 23.33 H new ATOM 0 HG22 VAL A 20 -19.819 -18.477 32.440 1.00 23.33 H new ATOM 0 HG23 VAL A 20 -19.795 -17.772 30.806 1.00 23.33 H new ATOM 318 N CYS A 21 -17.880 -14.785 30.523 1.00 13.31 N ATOM 319 CA CYS A 21 -18.409 -13.889 29.484 1.00 53.02 C ATOM 320 C CYS A 21 -18.701 -14.703 28.213 1.00 22.15 C ATOM 321 O CYS A 21 -17.779 -15.069 27.468 1.00 55.23 O ATOM 322 CB CYS A 21 -17.415 -12.743 29.178 1.00 63.25 C ATOM 323 SG CYS A 21 -18.041 -11.538 27.987 1.00 31.13 S ATOM 0 H CYS A 21 -16.866 -14.895 30.492 1.00 13.31 H new ATOM 0 HA CYS A 21 -19.332 -13.436 29.845 1.00 53.02 H new ATOM 0 HB2 CYS A 21 -17.170 -12.229 30.107 1.00 63.25 H new ATOM 0 HB3 CYS A 21 -16.488 -13.170 28.796 1.00 63.25 H new ATOM 0 HG CYS A 21 -17.146 -10.615 27.792 1.00 31.13 H new ATOM 329 N GLY A 22 -19.993 -15.022 28.004 1.00 54.43 N ATOM 330 CA GLY A 22 -20.459 -15.780 26.838 1.00 53.14 C ATOM 331 C GLY A 22 -20.696 -14.881 25.627 1.00 64.23 C ATOM 332 O GLY A 22 -21.849 -14.630 25.239 1.00 63.30 O ATOM 0 H GLY A 22 -20.742 -14.758 28.644 1.00 54.43 H new ATOM 0 HA2 GLY A 22 -19.723 -16.543 26.584 1.00 53.14 H new ATOM 0 HA3 GLY A 22 -21.383 -16.300 27.090 1.00 53.14 H new ATOM 336 N MET A 23 -19.588 -14.375 25.056 1.00 41.32 N ATOM 337 CA MET A 23 -19.588 -13.469 23.886 1.00 71.23 C ATOM 338 C MET A 23 -18.158 -13.433 23.287 1.00 5.24 C ATOM 339 O MET A 23 -17.254 -14.109 23.811 1.00 53.12 O ATOM 340 CB MET A 23 -20.062 -12.032 24.311 1.00 55.35 C ATOM 341 CG MET A 23 -20.542 -11.142 23.152 1.00 4.25 C ATOM 342 SD MET A 23 -20.896 -9.449 23.669 1.00 72.51 S ATOM 343 CE MET A 23 -21.462 -8.699 22.137 1.00 24.42 C ATOM 0 H MET A 23 -18.650 -14.586 25.398 1.00 41.32 H new ATOM 0 HA MET A 23 -20.283 -13.833 23.130 1.00 71.23 H new ATOM 0 HB2 MET A 23 -20.872 -12.131 25.034 1.00 55.35 H new ATOM 0 HB3 MET A 23 -19.240 -11.529 24.820 1.00 55.35 H new ATOM 0 HG2 MET A 23 -19.781 -11.127 22.372 1.00 4.25 H new ATOM 0 HG3 MET A 23 -21.439 -11.578 22.713 1.00 4.25 H new ATOM 0 HE1 MET A 23 -21.713 -7.653 22.315 1.00 24.42 H new ATOM 0 HE2 MET A 23 -20.672 -8.760 21.388 1.00 24.42 H new ATOM 0 HE3 MET A 23 -22.344 -9.228 21.777 1.00 24.42 H new ATOM 353 N VAL A 24 -17.965 -12.662 22.194 1.00 51.44 N ATOM 354 CA VAL A 24 -16.653 -12.404 21.565 1.00 23.24 C ATOM 355 C VAL A 24 -16.118 -13.687 20.883 1.00 45.34 C ATOM 356 O VAL A 24 -15.298 -14.426 21.441 1.00 30.22 O ATOM 357 CB VAL A 24 -15.596 -11.762 22.557 1.00 12.31 C ATOM 358 CG1 VAL A 24 -14.297 -11.346 21.830 1.00 4.33 C ATOM 359 CG2 VAL A 24 -16.203 -10.551 23.299 1.00 74.32 C ATOM 0 H VAL A 24 -18.734 -12.192 21.715 1.00 51.44 H new ATOM 0 HA VAL A 24 -16.810 -11.649 20.794 1.00 23.24 H new ATOM 0 HB VAL A 24 -15.336 -12.530 23.286 1.00 12.31 H new ATOM 0 HG11 VAL A 24 -13.602 -10.911 22.548 1.00 4.33 H new ATOM 0 HG12 VAL A 24 -13.842 -12.222 21.369 1.00 4.33 H new ATOM 0 HG13 VAL A 24 -14.531 -10.611 21.060 1.00 4.33 H new ATOM 0 HG21 VAL A 24 -15.459 -10.127 23.974 1.00 74.32 H new ATOM 0 HG22 VAL A 24 -16.508 -9.796 22.575 1.00 74.32 H new ATOM 0 HG23 VAL A 24 -17.071 -10.874 23.873 1.00 74.32 H new ATOM 369 N CYS A 25 -16.655 -13.953 19.684 1.00 53.53 N ATOM 370 CA CYS A 25 -16.306 -15.110 18.862 1.00 54.41 C ATOM 371 C CYS A 25 -16.660 -14.803 17.399 1.00 22.32 C ATOM 372 O CYS A 25 -17.820 -14.943 16.986 1.00 14.43 O ATOM 373 CB CYS A 25 -17.035 -16.381 19.372 1.00 4.13 C ATOM 374 SG CYS A 25 -18.825 -16.198 19.557 1.00 31.33 S ATOM 0 H CYS A 25 -17.359 -13.354 19.253 1.00 53.53 H new ATOM 0 HA CYS A 25 -15.236 -15.306 18.932 1.00 54.41 H new ATOM 0 HB2 CYS A 25 -16.836 -17.200 18.681 1.00 4.13 H new ATOM 0 HB3 CYS A 25 -16.611 -16.666 20.335 1.00 4.13 H new ATOM 0 HG CYS A 25 -19.307 -15.574 18.523 1.00 31.33 H new ATOM 380 N ILE A 26 -15.663 -14.316 16.639 1.00 20.31 N ATOM 381 CA ILE A 26 -15.810 -13.992 15.207 1.00 74.23 C ATOM 382 C ILE A 26 -15.623 -15.250 14.342 1.00 1.52 C ATOM 383 O ILE A 26 -15.229 -16.313 14.843 1.00 1.34 O ATOM 384 CB ILE A 26 -14.789 -12.868 14.762 1.00 45.10 C ATOM 385 CG1 ILE A 26 -13.308 -13.314 15.023 1.00 33.12 C ATOM 386 CG2 ILE A 26 -15.100 -11.521 15.470 1.00 40.21 C ATOM 387 CD1 ILE A 26 -12.246 -12.302 14.617 1.00 1.25 C ATOM 0 H ILE A 26 -14.727 -14.135 17.002 1.00 20.31 H new ATOM 0 HA ILE A 26 -16.820 -13.611 15.059 1.00 74.23 H new ATOM 0 HB ILE A 26 -14.906 -12.717 13.689 1.00 45.10 H new ATOM 0 HG12 ILE A 26 -13.193 -13.532 16.085 1.00 33.12 H new ATOM 0 HG13 ILE A 26 -13.125 -14.244 14.485 1.00 33.12 H new ATOM 0 HG21 ILE A 26 -14.384 -10.766 15.146 1.00 40.21 H new ATOM 0 HG22 ILE A 26 -16.109 -11.199 15.212 1.00 40.21 H new ATOM 0 HG23 ILE A 26 -15.026 -11.652 16.550 1.00 40.21 H new ATOM 0 HD11 ILE A 26 -11.257 -12.704 14.838 1.00 1.25 H new ATOM 0 HD12 ILE A 26 -12.325 -12.100 13.549 1.00 1.25 H new ATOM 0 HD13 ILE A 26 -12.394 -11.376 15.173 1.00 1.25 H new ATOM 399 N GLY A 27 -15.923 -15.125 13.045 1.00 44.42 N ATOM 400 CA GLY A 27 -15.764 -16.222 12.088 1.00 72.31 C ATOM 401 C GLY A 27 -14.825 -15.863 10.943 1.00 43.02 C ATOM 402 O GLY A 27 -14.425 -14.693 10.826 1.00 72.14 O ATOM 0 H GLY A 27 -16.281 -14.264 12.632 1.00 44.42 H new ATOM 0 HA2 GLY A 27 -15.380 -17.100 12.607 1.00 72.31 H new ATOM 0 HA3 GLY A 27 -16.739 -16.492 11.683 1.00 72.31 H new ATOM 406 N PRO A 28 -14.412 -16.862 10.098 1.00 35.40 N ATOM 407 CA PRO A 28 -13.604 -16.608 8.882 1.00 4.52 C ATOM 408 C PRO A 28 -14.439 -15.928 7.777 1.00 50.32 C ATOM 409 O PRO A 28 -15.658 -16.135 7.689 1.00 54.42 O ATOM 410 CB PRO A 28 -13.141 -18.029 8.467 1.00 12.21 C ATOM 411 CG PRO A 28 -14.206 -18.945 8.982 1.00 0.25 C ATOM 412 CD PRO A 28 -14.673 -18.324 10.284 1.00 21.33 C ATOM 0 HA PRO A 28 -12.772 -15.925 9.054 1.00 4.52 H new ATOM 0 HB2 PRO A 28 -13.038 -18.111 7.385 1.00 12.21 H new ATOM 0 HB3 PRO A 28 -12.170 -18.270 8.899 1.00 12.21 H new ATOM 0 HG2 PRO A 28 -15.027 -19.032 8.271 1.00 0.25 H new ATOM 0 HG3 PRO A 28 -13.816 -19.950 9.143 1.00 0.25 H new ATOM 0 HD2 PRO A 28 -15.730 -18.522 10.465 1.00 21.33 H new ATOM 0 HD3 PRO A 28 -14.124 -18.723 11.137 1.00 21.33 H new ATOM 420 N ASN A 29 -13.780 -15.135 6.920 1.00 73.11 N ATOM 421 CA ASN A 29 -14.450 -14.369 5.846 1.00 24.23 C ATOM 422 C ASN A 29 -14.567 -15.223 4.557 1.00 3.02 C ATOM 423 O ASN A 29 -14.373 -14.733 3.446 1.00 3.11 O ATOM 424 CB ASN A 29 -13.697 -13.023 5.590 1.00 74.11 C ATOM 425 CG ASN A 29 -12.267 -13.179 5.042 1.00 1.14 C ATOM 426 OD1 ASN A 29 -11.544 -14.121 5.380 1.00 4.33 O ATOM 427 ND2 ASN A 29 -11.847 -12.258 4.187 1.00 43.21 N ATOM 0 H ASN A 29 -12.769 -15.003 6.947 1.00 73.11 H new ATOM 0 HA ASN A 29 -15.464 -14.124 6.164 1.00 24.23 H new ATOM 0 HB2 ASN A 29 -14.278 -12.426 4.887 1.00 74.11 H new ATOM 0 HB3 ASN A 29 -13.654 -12.463 6.524 1.00 74.11 H new ATOM 0 HD21 ASN A 29 -10.908 -12.318 3.793 1.00 43.21 H new ATOM 0 HD22 ASN A 29 -12.463 -11.489 3.923 1.00 43.21 H new ATOM 434 N VAL A 30 -14.953 -16.502 4.736 1.00 74.31 N ATOM 435 CA VAL A 30 -15.096 -17.488 3.643 1.00 64.13 C ATOM 436 C VAL A 30 -16.151 -17.056 2.597 1.00 22.42 C ATOM 437 O VAL A 30 -16.066 -17.440 1.428 1.00 73.21 O ATOM 438 CB VAL A 30 -15.431 -18.916 4.223 1.00 73.33 C ATOM 439 CG1 VAL A 30 -14.242 -19.492 5.028 1.00 64.31 C ATOM 440 CG2 VAL A 30 -16.709 -18.877 5.091 1.00 21.45 C ATOM 0 H VAL A 30 -15.177 -16.885 5.654 1.00 74.31 H new ATOM 0 HA VAL A 30 -14.138 -17.537 3.126 1.00 64.13 H new ATOM 0 HB VAL A 30 -15.613 -19.578 3.376 1.00 73.33 H new ATOM 0 HG11 VAL A 30 -14.507 -20.477 5.413 1.00 64.31 H new ATOM 0 HG12 VAL A 30 -13.371 -19.579 4.379 1.00 64.31 H new ATOM 0 HG13 VAL A 30 -14.010 -18.827 5.860 1.00 64.31 H new ATOM 0 HG21 VAL A 30 -16.917 -19.875 5.478 1.00 21.45 H new ATOM 0 HG22 VAL A 30 -16.563 -18.188 5.923 1.00 21.45 H new ATOM 0 HG23 VAL A 30 -17.550 -18.541 4.485 1.00 21.45 H new ATOM 450 N LEU A 31 -17.135 -16.251 3.042 1.00 52.33 N ATOM 451 CA LEU A 31 -18.174 -15.666 2.172 1.00 54.43 C ATOM 452 C LEU A 31 -17.530 -14.620 1.222 1.00 23.44 C ATOM 453 O LEU A 31 -17.843 -14.577 0.033 1.00 62.12 O ATOM 454 CB LEU A 31 -19.296 -15.059 3.078 1.00 25.33 C ATOM 455 CG LEU A 31 -20.668 -14.650 2.410 1.00 61.11 C ATOM 456 CD1 LEU A 31 -21.792 -14.547 3.475 1.00 41.53 C ATOM 457 CD2 LEU A 31 -20.576 -13.317 1.631 1.00 72.15 C ATOM 0 H LEU A 31 -17.232 -15.986 4.022 1.00 52.33 H new ATOM 0 HA LEU A 31 -18.632 -16.425 1.537 1.00 54.43 H new ATOM 0 HB2 LEU A 31 -19.513 -15.781 3.865 1.00 25.33 H new ATOM 0 HB3 LEU A 31 -18.887 -14.173 3.563 1.00 25.33 H new ATOM 0 HG LEU A 31 -20.908 -15.439 1.697 1.00 61.11 H new ATOM 0 HD11 LEU A 31 -22.727 -14.264 2.991 1.00 41.53 H new ATOM 0 HD12 LEU A 31 -21.916 -15.511 3.968 1.00 41.53 H new ATOM 0 HD13 LEU A 31 -21.524 -13.793 4.215 1.00 41.53 H new ATOM 0 HD21 LEU A 31 -21.546 -13.084 1.193 1.00 72.15 H new ATOM 0 HD22 LEU A 31 -20.284 -12.517 2.312 1.00 72.15 H new ATOM 0 HD23 LEU A 31 -19.833 -13.409 0.839 1.00 72.15 H new ATOM 469 N MET A 32 -16.607 -13.814 1.779 1.00 52.22 N ATOM 470 CA MET A 32 -15.842 -12.786 1.041 1.00 13.22 C ATOM 471 C MET A 32 -14.887 -13.433 0.029 1.00 12.23 C ATOM 472 O MET A 32 -14.722 -12.934 -1.088 1.00 32.13 O ATOM 473 CB MET A 32 -15.046 -11.912 2.051 1.00 23.22 C ATOM 474 CG MET A 32 -14.202 -10.795 1.427 1.00 1.53 C ATOM 475 SD MET A 32 -13.251 -9.880 2.666 1.00 51.53 S ATOM 476 CE MET A 32 -12.304 -8.744 1.651 1.00 42.40 C ATOM 0 H MET A 32 -16.367 -13.858 2.769 1.00 52.22 H new ATOM 0 HA MET A 32 -16.540 -12.158 0.487 1.00 13.22 H new ATOM 0 HB2 MET A 32 -15.750 -11.464 2.753 1.00 23.22 H new ATOM 0 HB3 MET A 32 -14.389 -12.561 2.629 1.00 23.22 H new ATOM 0 HG2 MET A 32 -13.520 -11.225 0.693 1.00 1.53 H new ATOM 0 HG3 MET A 32 -14.854 -10.106 0.891 1.00 1.53 H new ATOM 0 HE1 MET A 32 -11.676 -8.122 2.289 1.00 42.40 H new ATOM 0 HE2 MET A 32 -11.675 -9.309 0.963 1.00 42.40 H new ATOM 0 HE3 MET A 32 -12.985 -8.110 1.083 1.00 42.40 H new ATOM 486 N VAL A 33 -14.273 -14.550 0.443 1.00 44.25 N ATOM 487 CA VAL A 33 -13.372 -15.341 -0.415 1.00 63.11 C ATOM 488 C VAL A 33 -14.163 -15.945 -1.597 1.00 44.24 C ATOM 489 O VAL A 33 -13.685 -15.964 -2.736 1.00 53.02 O ATOM 490 CB VAL A 33 -12.671 -16.479 0.417 1.00 23.20 C ATOM 491 CG1 VAL A 33 -11.706 -17.318 -0.444 1.00 62.23 C ATOM 492 CG2 VAL A 33 -11.938 -15.897 1.642 1.00 70.53 C ATOM 0 H VAL A 33 -14.385 -14.933 1.382 1.00 44.25 H new ATOM 0 HA VAL A 33 -12.598 -14.682 -0.809 1.00 63.11 H new ATOM 0 HB VAL A 33 -13.458 -17.146 0.768 1.00 23.20 H new ATOM 0 HG11 VAL A 33 -11.246 -18.090 0.173 1.00 62.23 H new ATOM 0 HG12 VAL A 33 -12.258 -17.786 -1.259 1.00 62.23 H new ATOM 0 HG13 VAL A 33 -10.930 -16.672 -0.855 1.00 62.23 H new ATOM 0 HG21 VAL A 33 -11.463 -16.704 2.199 1.00 70.53 H new ATOM 0 HG22 VAL A 33 -11.178 -15.189 1.309 1.00 70.53 H new ATOM 0 HG23 VAL A 33 -12.654 -15.385 2.285 1.00 70.53 H new ATOM 502 N HIS A 34 -15.390 -16.403 -1.296 1.00 43.31 N ATOM 503 CA HIS A 34 -16.345 -16.937 -2.291 1.00 15.34 C ATOM 504 C HIS A 34 -16.772 -15.842 -3.289 1.00 30.54 C ATOM 505 O HIS A 34 -16.895 -16.090 -4.500 1.00 55.01 O ATOM 506 CB HIS A 34 -17.579 -17.511 -1.548 1.00 31.14 C ATOM 507 CG HIS A 34 -18.702 -17.954 -2.438 1.00 3.13 C ATOM 508 ND1 HIS A 34 -19.870 -17.237 -2.579 1.00 52.24 N ATOM 509 CD2 HIS A 34 -18.832 -19.034 -3.248 1.00 45.03 C ATOM 510 CE1 HIS A 34 -20.661 -17.850 -3.429 1.00 11.21 C ATOM 511 NE2 HIS A 34 -20.061 -18.942 -3.848 1.00 62.31 N ATOM 0 H HIS A 34 -15.754 -16.414 -0.343 1.00 43.31 H new ATOM 0 HA HIS A 34 -15.862 -17.730 -2.862 1.00 15.34 H new ATOM 0 HB2 HIS A 34 -17.258 -18.359 -0.943 1.00 31.14 H new ATOM 0 HB3 HIS A 34 -17.956 -16.753 -0.861 1.00 31.14 H new ATOM 0 HD2 HIS A 34 -18.104 -19.819 -3.393 1.00 45.03 H new ATOM 0 HE1 HIS A 34 -21.641 -17.513 -3.733 1.00 11.21 H new ATOM 0 HE2 HIS A 34 -20.448 -19.613 -4.512 1.00 62.31 H new ATOM 520 N LYS A 35 -16.994 -14.639 -2.747 1.00 11.41 N ATOM 521 CA LYS A 35 -17.397 -13.448 -3.508 1.00 22.22 C ATOM 522 C LYS A 35 -16.277 -13.010 -4.470 1.00 15.10 C ATOM 523 O LYS A 35 -16.529 -12.677 -5.636 1.00 55.21 O ATOM 524 CB LYS A 35 -17.744 -12.310 -2.510 1.00 11.34 C ATOM 525 CG LYS A 35 -18.220 -10.993 -3.155 1.00 40.30 C ATOM 526 CD LYS A 35 -18.433 -9.875 -2.109 1.00 5.10 C ATOM 527 CE LYS A 35 -18.859 -8.541 -2.747 1.00 1.23 C ATOM 528 NZ LYS A 35 -19.004 -7.457 -1.734 1.00 23.04 N ATOM 0 H LYS A 35 -16.897 -14.461 -1.747 1.00 11.41 H new ATOM 0 HA LYS A 35 -18.274 -13.681 -4.112 1.00 22.22 H new ATOM 0 HB2 LYS A 35 -18.521 -12.666 -1.834 1.00 11.34 H new ATOM 0 HB3 LYS A 35 -16.864 -12.101 -1.902 1.00 11.34 H new ATOM 0 HG2 LYS A 35 -17.486 -10.665 -3.891 1.00 40.30 H new ATOM 0 HG3 LYS A 35 -19.152 -11.169 -3.691 1.00 40.30 H new ATOM 0 HD2 LYS A 35 -19.193 -10.191 -1.395 1.00 5.10 H new ATOM 0 HD3 LYS A 35 -17.510 -9.727 -1.548 1.00 5.10 H new ATOM 0 HE2 LYS A 35 -18.121 -8.244 -3.492 1.00 1.23 H new ATOM 0 HE3 LYS A 35 -19.805 -8.676 -3.271 1.00 1.23 H new ATOM 0 HZ1 LYS A 35 -19.292 -6.576 -2.207 1.00 23.04 H new ATOM 0 HZ2 LYS A 35 -19.726 -7.728 -1.037 1.00 23.04 H new ATOM 0 HZ3 LYS A 35 -18.095 -7.309 -1.251 1.00 23.04 H new ATOM 542 N ARG A 36 -15.038 -13.063 -3.962 1.00 31.32 N ATOM 543 CA ARG A 36 -13.833 -12.678 -4.713 1.00 5.51 C ATOM 544 C ARG A 36 -13.514 -13.720 -5.808 1.00 22.43 C ATOM 545 O ARG A 36 -13.001 -13.376 -6.880 1.00 51.52 O ATOM 546 CB ARG A 36 -12.644 -12.518 -3.723 1.00 63.41 C ATOM 547 CG ARG A 36 -11.306 -12.094 -4.376 1.00 24.13 C ATOM 548 CD ARG A 36 -11.366 -10.700 -5.054 1.00 32.24 C ATOM 549 NE ARG A 36 -10.165 -10.432 -5.866 1.00 71.34 N ATOM 550 CZ ARG A 36 -9.875 -9.277 -6.476 1.00 74.40 C ATOM 551 NH1 ARG A 36 -10.693 -8.221 -6.385 1.00 2.14 N ATOM 552 NH2 ARG A 36 -8.762 -9.206 -7.208 1.00 51.52 N ATOM 0 H ARG A 36 -14.841 -13.376 -3.011 1.00 31.32 H new ATOM 0 HA ARG A 36 -14.007 -11.726 -5.214 1.00 5.51 H new ATOM 0 HB2 ARG A 36 -12.914 -11.778 -2.969 1.00 63.41 H new ATOM 0 HB3 ARG A 36 -12.494 -13.464 -3.202 1.00 63.41 H new ATOM 0 HG2 ARG A 36 -10.525 -12.087 -3.615 1.00 24.13 H new ATOM 0 HG3 ARG A 36 -11.020 -12.839 -5.119 1.00 24.13 H new ATOM 0 HD2 ARG A 36 -12.252 -10.641 -5.686 1.00 32.24 H new ATOM 0 HD3 ARG A 36 -11.468 -9.929 -4.290 1.00 32.24 H new ATOM 0 HE ARG A 36 -9.496 -11.195 -5.972 1.00 71.34 H new ATOM 0 HH11 ARG A 36 -11.555 -8.289 -5.843 1.00 2.14 H new ATOM 0 HH12 ARG A 36 -10.454 -7.349 -6.857 1.00 2.14 H new ATOM 0 HH21 ARG A 36 -8.154 -10.021 -7.293 1.00 51.52 H new ATOM 0 HH22 ARG A 36 -8.519 -8.337 -7.683 1.00 51.52 H new ATOM 566 N SER A 37 -13.841 -14.990 -5.522 1.00 14.42 N ATOM 567 CA SER A 37 -13.672 -16.105 -6.471 1.00 74.42 C ATOM 568 C SER A 37 -14.648 -15.963 -7.656 1.00 50.44 C ATOM 569 O SER A 37 -14.337 -16.386 -8.778 1.00 43.52 O ATOM 570 CB SER A 37 -13.902 -17.446 -5.738 1.00 23.32 C ATOM 571 OG SER A 37 -13.616 -18.567 -6.568 1.00 62.33 O ATOM 0 H SER A 37 -14.231 -15.275 -4.624 1.00 14.42 H new ATOM 0 HA SER A 37 -12.657 -16.083 -6.867 1.00 74.42 H new ATOM 0 HB2 SER A 37 -13.273 -17.485 -4.848 1.00 23.32 H new ATOM 0 HB3 SER A 37 -14.937 -17.501 -5.400 1.00 23.32 H new ATOM 0 HG SER A 37 -13.773 -19.394 -6.066 1.00 62.33 H new ATOM 577 N HIS A 38 -15.829 -15.378 -7.390 1.00 65.11 N ATOM 578 CA HIS A 38 -16.843 -15.116 -8.421 1.00 4.40 C ATOM 579 C HIS A 38 -16.482 -13.811 -9.172 1.00 5.44 C ATOM 580 O HIS A 38 -17.049 -12.743 -8.912 1.00 54.42 O ATOM 581 CB HIS A 38 -18.250 -15.059 -7.763 1.00 72.51 C ATOM 582 CG HIS A 38 -19.407 -14.907 -8.726 1.00 42.21 C ATOM 583 ND1 HIS A 38 -20.134 -13.740 -8.866 1.00 11.53 N ATOM 584 CD2 HIS A 38 -19.991 -15.801 -9.565 1.00 13.30 C ATOM 585 CE1 HIS A 38 -21.102 -13.925 -9.740 1.00 43.24 C ATOM 586 NE2 HIS A 38 -21.041 -15.163 -10.178 1.00 70.31 N ATOM 0 H HIS A 38 -16.105 -15.075 -6.456 1.00 65.11 H new ATOM 0 HA HIS A 38 -16.864 -15.921 -9.156 1.00 4.40 H new ATOM 0 HB2 HIS A 38 -18.399 -15.969 -7.182 1.00 72.51 H new ATOM 0 HB3 HIS A 38 -18.271 -14.226 -7.060 1.00 72.51 H new ATOM 0 HD2 HIS A 38 -19.686 -16.825 -9.721 1.00 13.30 H new ATOM 0 HE1 HIS A 38 -21.825 -13.183 -10.046 1.00 43.24 H new ATOM 0 HE2 HIS A 38 -21.671 -15.582 -10.862 1.00 70.31 H new ATOM 595 N THR A 39 -15.464 -13.902 -10.046 1.00 24.41 N ATOM 596 CA THR A 39 -14.975 -12.768 -10.845 1.00 44.21 C ATOM 597 C THR A 39 -15.756 -12.687 -12.169 1.00 43.31 C ATOM 598 O THR A 39 -16.374 -11.668 -12.493 1.00 21.11 O ATOM 599 CB THR A 39 -13.442 -12.938 -11.135 1.00 41.31 C ATOM 600 OG1 THR A 39 -12.732 -13.223 -9.912 1.00 55.14 O ATOM 601 CG2 THR A 39 -12.833 -11.692 -11.809 1.00 50.54 C ATOM 0 H THR A 39 -14.956 -14.770 -10.218 1.00 24.41 H new ATOM 0 HA THR A 39 -15.128 -11.845 -10.285 1.00 44.21 H new ATOM 0 HB THR A 39 -13.338 -13.774 -11.827 1.00 41.31 H new ATOM 0 HG1 THR A 39 -13.290 -12.976 -9.145 1.00 55.14 H new ATOM 0 HG21 THR A 39 -11.771 -11.858 -11.989 1.00 50.54 H new ATOM 0 HG22 THR A 39 -13.338 -11.508 -12.758 1.00 50.54 H new ATOM 0 HG23 THR A 39 -12.959 -10.827 -11.157 1.00 50.54 H new ATOM 609 N GLY A 40 -15.748 -13.812 -12.899 1.00 21.14 N ATOM 610 CA GLY A 40 -16.329 -13.906 -14.237 1.00 21.13 C ATOM 611 C GLY A 40 -15.491 -14.831 -15.089 1.00 73.30 C ATOM 612 O GLY A 40 -15.197 -15.957 -14.663 1.00 15.42 O ATOM 0 H GLY A 40 -15.335 -14.685 -12.571 1.00 21.14 H new ATOM 0 HA2 GLY A 40 -17.352 -14.279 -14.175 1.00 21.13 H new ATOM 0 HA3 GLY A 40 -16.377 -12.918 -14.694 1.00 21.13 H new ATOM 616 N GLU A 41 -15.081 -14.361 -16.276 1.00 24.15 N ATOM 617 CA GLU A 41 -14.127 -15.084 -17.135 1.00 22.40 C ATOM 618 C GLU A 41 -12.692 -14.881 -16.623 1.00 2.30 C ATOM 619 O GLU A 41 -12.440 -14.070 -15.717 1.00 44.54 O ATOM 620 CB GLU A 41 -14.245 -14.629 -18.610 1.00 71.10 C ATOM 621 CG GLU A 41 -15.595 -14.969 -19.272 1.00 61.43 C ATOM 622 CD GLU A 41 -15.615 -14.601 -20.758 1.00 44.41 C ATOM 623 OE1 GLU A 41 -15.166 -15.417 -21.596 1.00 41.42 O ATOM 624 OE2 GLU A 41 -16.054 -13.483 -21.103 1.00 73.55 O ATOM 0 H GLU A 41 -15.398 -13.474 -16.668 1.00 24.15 H new ATOM 0 HA GLU A 41 -14.370 -16.146 -17.093 1.00 22.40 H new ATOM 0 HB2 GLU A 41 -14.091 -13.551 -18.659 1.00 71.10 H new ATOM 0 HB3 GLU A 41 -13.444 -15.092 -19.186 1.00 71.10 H new ATOM 0 HG2 GLU A 41 -15.795 -16.035 -19.160 1.00 61.43 H new ATOM 0 HG3 GLU A 41 -16.395 -14.438 -18.756 1.00 61.43 H new ATOM 631 N ARG A 42 -11.763 -15.644 -17.197 1.00 3.01 N ATOM 632 CA ARG A 42 -10.331 -15.580 -16.867 1.00 40.42 C ATOM 633 C ARG A 42 -9.608 -14.780 -17.964 1.00 44.04 C ATOM 634 O ARG A 42 -9.864 -15.018 -19.156 1.00 52.35 O ATOM 635 CB ARG A 42 -9.763 -17.024 -16.739 1.00 51.50 C ATOM 636 CG ARG A 42 -10.589 -17.918 -15.781 1.00 21.44 C ATOM 637 CD ARG A 42 -10.066 -19.365 -15.675 1.00 72.22 C ATOM 638 NE ARG A 42 -10.967 -20.212 -14.864 1.00 20.54 N ATOM 639 CZ ARG A 42 -10.683 -21.442 -14.388 1.00 14.03 C ATOM 640 NH1 ARG A 42 -9.496 -22.016 -14.626 1.00 53.21 N ATOM 641 NH2 ARG A 42 -11.616 -22.088 -13.688 1.00 62.31 N ATOM 0 H ARG A 42 -11.982 -16.335 -17.915 1.00 3.01 H new ATOM 0 HA ARG A 42 -10.176 -15.077 -15.913 1.00 40.42 H new ATOM 0 HB2 ARG A 42 -9.736 -17.486 -17.726 1.00 51.50 H new ATOM 0 HB3 ARG A 42 -8.734 -16.973 -16.383 1.00 51.50 H new ATOM 0 HG2 ARG A 42 -10.589 -17.468 -14.788 1.00 21.44 H new ATOM 0 HG3 ARG A 42 -11.624 -17.940 -16.121 1.00 21.44 H new ATOM 0 HD2 ARG A 42 -9.967 -19.791 -16.674 1.00 72.22 H new ATOM 0 HD3 ARG A 42 -9.071 -19.361 -15.230 1.00 72.22 H new ATOM 0 HE ARG A 42 -11.887 -19.831 -14.644 1.00 20.54 H new ATOM 0 HH11 ARG A 42 -8.792 -21.522 -15.174 1.00 53.21 H new ATOM 0 HH12 ARG A 42 -9.297 -22.947 -14.259 1.00 53.21 H new ATOM 0 HH21 ARG A 42 -12.523 -21.651 -13.522 1.00 62.31 H new ATOM 0 HH22 ARG A 42 -11.423 -23.019 -13.319 1.00 62.31 H new ATOM 655 N PRO A 43 -8.720 -13.800 -17.598 1.00 30.51 N ATOM 656 CA PRO A 43 -7.993 -12.985 -18.592 1.00 20.13 C ATOM 657 C PRO A 43 -6.918 -13.812 -19.322 1.00 14.35 C ATOM 658 O PRO A 43 -6.449 -14.840 -18.808 1.00 44.12 O ATOM 659 CB PRO A 43 -7.369 -11.853 -17.741 1.00 44.11 C ATOM 660 CG PRO A 43 -7.188 -12.458 -16.383 1.00 45.21 C ATOM 661 CD PRO A 43 -8.359 -13.408 -16.201 1.00 75.35 C ATOM 0 HA PRO A 43 -8.638 -12.607 -19.385 1.00 20.13 H new ATOM 0 HB2 PRO A 43 -6.418 -11.522 -18.158 1.00 44.11 H new ATOM 0 HB3 PRO A 43 -8.021 -10.980 -17.703 1.00 44.11 H new ATOM 0 HG2 PRO A 43 -6.238 -12.988 -16.313 1.00 45.21 H new ATOM 0 HG3 PRO A 43 -7.182 -11.690 -15.609 1.00 45.21 H new ATOM 0 HD2 PRO A 43 -8.082 -14.275 -15.601 1.00 75.35 H new ATOM 0 HD3 PRO A 43 -9.193 -12.923 -15.693 1.00 75.35 H new ATOM 669 N PHE A 44 -6.531 -13.344 -20.512 1.00 31.41 N ATOM 670 CA PHE A 44 -5.547 -14.038 -21.376 1.00 32.34 C ATOM 671 C PHE A 44 -4.102 -13.772 -20.890 1.00 71.54 C ATOM 672 O PHE A 44 -3.884 -12.986 -19.964 1.00 42.45 O ATOM 673 CB PHE A 44 -5.704 -13.564 -22.843 1.00 43.33 C ATOM 674 CG PHE A 44 -7.130 -13.576 -23.344 1.00 2.35 C ATOM 675 CD1 PHE A 44 -7.781 -14.780 -23.577 1.00 42.33 C ATOM 676 CD2 PHE A 44 -7.830 -12.387 -23.555 1.00 72.10 C ATOM 677 CE1 PHE A 44 -9.085 -14.799 -24.001 1.00 54.42 C ATOM 678 CE2 PHE A 44 -9.139 -12.406 -23.972 1.00 65.44 C ATOM 679 CZ PHE A 44 -9.765 -13.612 -24.201 1.00 64.12 C ATOM 0 H PHE A 44 -6.885 -12.475 -20.911 1.00 31.41 H new ATOM 0 HA PHE A 44 -5.738 -15.110 -21.320 1.00 32.34 H new ATOM 0 HB2 PHE A 44 -5.307 -12.553 -22.932 1.00 43.33 H new ATOM 0 HB3 PHE A 44 -5.098 -14.202 -23.487 1.00 43.33 H new ATOM 0 HD1 PHE A 44 -7.255 -15.711 -23.423 1.00 42.33 H new ATOM 0 HD2 PHE A 44 -7.337 -11.441 -23.388 1.00 72.10 H new ATOM 0 HE1 PHE A 44 -9.581 -15.742 -24.179 1.00 54.42 H new ATOM 0 HE2 PHE A 44 -9.675 -11.480 -24.120 1.00 65.44 H new ATOM 0 HZ PHE A 44 -10.791 -13.630 -24.538 1.00 64.12 H new ATOM 689 N HIS A 45 -3.126 -14.415 -21.542 1.00 21.15 N ATOM 690 CA HIS A 45 -1.689 -14.286 -21.216 1.00 74.44 C ATOM 691 C HIS A 45 -0.898 -14.116 -22.518 1.00 34.54 C ATOM 692 O HIS A 45 -1.372 -14.522 -23.591 1.00 51.24 O ATOM 693 CB HIS A 45 -1.192 -15.543 -20.454 1.00 60.22 C ATOM 694 CG HIS A 45 -1.221 -16.807 -21.275 1.00 11.23 C ATOM 695 ND1 HIS A 45 -2.365 -17.532 -21.490 1.00 2.43 N ATOM 696 CD2 HIS A 45 -0.247 -17.448 -21.976 1.00 42.43 C ATOM 697 CE1 HIS A 45 -2.103 -18.552 -22.274 1.00 64.45 C ATOM 698 NE2 HIS A 45 -0.827 -18.527 -22.584 1.00 3.15 N ATOM 0 H HIS A 45 -3.307 -15.048 -22.321 1.00 21.15 H new ATOM 0 HA HIS A 45 -1.540 -13.416 -20.576 1.00 74.44 H new ATOM 0 HB2 HIS A 45 -0.172 -15.368 -20.111 1.00 60.22 H new ATOM 0 HB3 HIS A 45 -1.808 -15.684 -19.566 1.00 60.22 H new ATOM 0 HD2 HIS A 45 0.791 -17.158 -22.040 1.00 42.43 H new ATOM 0 HE1 HIS A 45 -2.818 -19.289 -22.608 1.00 64.45 H new ATOM 0 HE2 HIS A 45 -0.347 -19.201 -23.180 1.00 3.15 H new ATOM 707 N CYS A 46 0.299 -13.537 -22.417 1.00 3.41 N ATOM 708 CA CYS A 46 1.217 -13.401 -23.552 1.00 74.12 C ATOM 709 C CYS A 46 1.866 -14.770 -23.870 1.00 63.42 C ATOM 710 O CYS A 46 1.252 -15.595 -24.558 1.00 40.42 O ATOM 711 CB CYS A 46 2.266 -12.319 -23.226 1.00 12.45 C ATOM 712 SG CYS A 46 3.717 -12.276 -24.327 1.00 41.24 S ATOM 0 H CYS A 46 0.661 -13.148 -21.546 1.00 3.41 H new ATOM 0 HA CYS A 46 0.676 -13.086 -24.444 1.00 74.12 H new ATOM 0 HB2 CYS A 46 1.779 -11.344 -23.257 1.00 12.45 H new ATOM 0 HB3 CYS A 46 2.612 -12.470 -22.203 1.00 12.45 H new ATOM 717 N ASN A 47 3.073 -15.038 -23.306 1.00 11.04 N ATOM 718 CA ASN A 47 3.840 -16.280 -23.550 1.00 31.14 C ATOM 719 C ASN A 47 4.712 -16.583 -22.315 1.00 74.55 C ATOM 720 O ASN A 47 4.521 -17.604 -21.638 1.00 35.11 O ATOM 721 CB ASN A 47 4.729 -16.183 -24.838 1.00 43.14 C ATOM 722 CG ASN A 47 3.935 -16.107 -26.150 1.00 43.03 C ATOM 723 OD1 ASN A 47 3.591 -15.025 -26.629 1.00 71.44 O ATOM 724 ND2 ASN A 47 3.635 -17.250 -26.738 1.00 72.33 N ATOM 0 H ASN A 47 3.540 -14.394 -22.668 1.00 11.04 H new ATOM 0 HA ASN A 47 3.132 -17.092 -23.716 1.00 31.14 H new ATOM 0 HB2 ASN A 47 5.365 -15.301 -24.760 1.00 43.14 H new ATOM 0 HB3 ASN A 47 5.389 -17.050 -24.876 1.00 43.14 H new ATOM 0 HD21 ASN A 47 3.106 -17.251 -27.610 1.00 72.33 H new ATOM 0 HD22 ASN A 47 3.932 -18.132 -26.320 1.00 72.33 H new ATOM 731 N GLN A 48 5.642 -15.657 -22.002 1.00 12.22 N ATOM 732 CA GLN A 48 6.589 -15.810 -20.863 1.00 64.10 C ATOM 733 C GLN A 48 6.921 -14.460 -20.178 1.00 63.42 C ATOM 734 O GLN A 48 7.441 -14.451 -19.060 1.00 10.24 O ATOM 735 CB GLN A 48 7.906 -16.501 -21.327 1.00 73.52 C ATOM 736 CG GLN A 48 8.689 -15.719 -22.396 1.00 41.11 C ATOM 737 CD GLN A 48 10.035 -16.340 -22.776 1.00 42.25 C ATOM 738 OE1 GLN A 48 10.220 -17.552 -22.717 1.00 23.04 O ATOM 739 NE2 GLN A 48 10.985 -15.507 -23.163 1.00 33.32 N ATOM 0 H GLN A 48 5.762 -14.788 -22.522 1.00 12.22 H new ATOM 0 HA GLN A 48 6.087 -16.438 -20.127 1.00 64.10 H new ATOM 0 HB2 GLN A 48 8.549 -16.651 -20.460 1.00 73.52 H new ATOM 0 HB3 GLN A 48 7.665 -17.489 -21.720 1.00 73.52 H new ATOM 0 HG2 GLN A 48 8.074 -15.638 -23.292 1.00 41.11 H new ATOM 0 HG3 GLN A 48 8.860 -14.705 -22.034 1.00 41.11 H new ATOM 0 HE21 GLN A 48 10.800 -14.505 -23.201 1.00 33.32 H new ATOM 0 HE22 GLN A 48 11.903 -15.866 -23.423 1.00 33.32 H new ATOM 748 N CYS A 49 6.576 -13.332 -20.830 1.00 5.33 N ATOM 749 CA CYS A 49 7.019 -11.965 -20.406 1.00 30.13 C ATOM 750 C CYS A 49 6.292 -11.445 -19.141 1.00 32.44 C ATOM 751 O CYS A 49 6.626 -10.355 -18.645 1.00 10.03 O ATOM 752 CB CYS A 49 6.859 -10.962 -21.589 1.00 23.31 C ATOM 753 SG CYS A 49 5.171 -10.841 -22.249 1.00 50.12 S ATOM 0 H CYS A 49 5.986 -13.329 -21.662 1.00 5.33 H new ATOM 0 HA CYS A 49 8.071 -12.046 -20.133 1.00 30.13 H new ATOM 0 HB2 CYS A 49 7.178 -9.974 -21.257 1.00 23.31 H new ATOM 0 HB3 CYS A 49 7.530 -11.259 -22.395 1.00 23.31 H new ATOM 758 N GLY A 50 5.334 -12.233 -18.621 1.00 64.34 N ATOM 759 CA GLY A 50 4.556 -11.864 -17.442 1.00 72.55 C ATOM 760 C GLY A 50 3.528 -10.794 -17.755 1.00 54.42 C ATOM 761 O GLY A 50 3.210 -9.958 -16.907 1.00 2.21 O ATOM 0 H GLY A 50 5.083 -13.141 -19.012 1.00 64.34 H new ATOM 0 HA2 GLY A 50 4.053 -12.747 -17.048 1.00 72.55 H new ATOM 0 HA3 GLY A 50 5.227 -11.505 -16.662 1.00 72.55 H new ATOM 765 N ALA A 51 3.015 -10.816 -18.993 1.00 53.24 N ATOM 766 CA ALA A 51 1.994 -9.874 -19.460 1.00 40.01 C ATOM 767 C ALA A 51 0.651 -10.595 -19.602 1.00 21.12 C ATOM 768 O ALA A 51 0.556 -11.592 -20.324 1.00 65.14 O ATOM 769 CB ALA A 51 2.427 -9.252 -20.795 1.00 61.50 C ATOM 0 H ALA A 51 3.300 -11.493 -19.701 1.00 53.24 H new ATOM 0 HA ALA A 51 1.879 -9.072 -18.731 1.00 40.01 H new ATOM 0 HB1 ALA A 51 1.663 -8.553 -21.136 1.00 61.50 H new ATOM 0 HB2 ALA A 51 3.370 -8.722 -20.661 1.00 61.50 H new ATOM 0 HB3 ALA A 51 2.556 -10.039 -21.538 1.00 61.50 H new ATOM 775 N SER A 52 -0.370 -10.097 -18.894 1.00 34.34 N ATOM 776 CA SER A 52 -1.736 -10.640 -18.938 1.00 30.32 C ATOM 777 C SER A 52 -2.677 -9.579 -19.537 1.00 73.44 C ATOM 778 O SER A 52 -2.637 -8.411 -19.125 1.00 4.24 O ATOM 779 CB SER A 52 -2.175 -11.055 -17.508 1.00 55.52 C ATOM 780 OG SER A 52 -3.476 -11.618 -17.505 1.00 1.22 O ATOM 0 H SER A 52 -0.272 -9.298 -18.268 1.00 34.34 H new ATOM 0 HA SER A 52 -1.775 -11.528 -19.569 1.00 30.32 H new ATOM 0 HB2 SER A 52 -1.465 -11.776 -17.104 1.00 55.52 H new ATOM 0 HB3 SER A 52 -2.153 -10.184 -16.853 1.00 55.52 H new ATOM 0 HG SER A 52 -3.630 -12.091 -18.349 1.00 1.22 H new ATOM 786 N PHE A 53 -3.511 -9.970 -20.520 1.00 11.50 N ATOM 787 CA PHE A 53 -4.416 -9.037 -21.234 1.00 2.31 C ATOM 788 C PHE A 53 -5.834 -9.603 -21.256 1.00 64.44 C ATOM 789 O PHE A 53 -6.019 -10.782 -21.497 1.00 12.43 O ATOM 790 CB PHE A 53 -3.935 -8.811 -22.695 1.00 31.13 C ATOM 791 CG PHE A 53 -2.567 -8.132 -22.803 1.00 45.00 C ATOM 792 CD1 PHE A 53 -2.447 -6.742 -22.696 1.00 44.23 C ATOM 793 CD2 PHE A 53 -1.398 -8.878 -22.987 1.00 3.33 C ATOM 794 CE1 PHE A 53 -1.209 -6.125 -22.780 1.00 1.32 C ATOM 795 CE2 PHE A 53 -0.166 -8.254 -23.066 1.00 41.52 C ATOM 796 CZ PHE A 53 -0.072 -6.882 -22.962 1.00 23.23 C ATOM 0 H PHE A 53 -3.579 -10.935 -20.843 1.00 11.50 H new ATOM 0 HA PHE A 53 -4.406 -8.083 -20.706 1.00 2.31 H new ATOM 0 HB2 PHE A 53 -3.893 -9.773 -23.206 1.00 31.13 H new ATOM 0 HB3 PHE A 53 -4.673 -8.204 -23.220 1.00 31.13 H new ATOM 0 HD1 PHE A 53 -3.332 -6.141 -22.546 1.00 44.23 H new ATOM 0 HD2 PHE A 53 -1.458 -9.953 -23.068 1.00 3.33 H new ATOM 0 HE1 PHE A 53 -1.135 -5.050 -22.703 1.00 1.32 H new ATOM 0 HE2 PHE A 53 0.727 -8.844 -23.210 1.00 41.52 H new ATOM 0 HZ PHE A 53 0.893 -6.401 -23.023 1.00 23.23 H new ATOM 806 N THR A 54 -6.825 -8.754 -20.989 1.00 52.14 N ATOM 807 CA THR A 54 -8.241 -9.090 -21.233 1.00 71.22 C ATOM 808 C THR A 54 -8.657 -8.595 -22.627 1.00 62.05 C ATOM 809 O THR A 54 -9.623 -9.102 -23.214 1.00 31.34 O ATOM 810 CB THR A 54 -9.186 -8.482 -20.143 1.00 11.14 C ATOM 811 OG1 THR A 54 -10.562 -8.856 -20.384 1.00 73.34 O ATOM 812 CG2 THR A 54 -9.078 -6.949 -20.074 1.00 13.22 C ATOM 0 H THR A 54 -6.680 -7.822 -20.601 1.00 52.14 H new ATOM 0 HA THR A 54 -8.339 -10.174 -21.180 1.00 71.22 H new ATOM 0 HB THR A 54 -8.861 -8.891 -19.186 1.00 11.14 H new ATOM 0 HG1 THR A 54 -11.133 -8.466 -19.690 1.00 73.34 H new ATOM 0 HG21 THR A 54 -9.751 -6.571 -19.304 1.00 13.22 H new ATOM 0 HG22 THR A 54 -8.054 -6.667 -19.831 1.00 13.22 H new ATOM 0 HG23 THR A 54 -9.353 -6.521 -21.038 1.00 13.22 H new ATOM 820 N GLN A 55 -7.904 -7.608 -23.150 1.00 34.14 N ATOM 821 CA GLN A 55 -8.145 -7.012 -24.456 1.00 30.52 C ATOM 822 C GLN A 55 -7.477 -7.871 -25.535 1.00 72.00 C ATOM 823 O GLN A 55 -6.246 -8.005 -25.545 1.00 42.41 O ATOM 824 CB GLN A 55 -7.595 -5.566 -24.490 1.00 34.12 C ATOM 825 CG GLN A 55 -8.305 -4.574 -23.544 1.00 44.35 C ATOM 826 CD GLN A 55 -9.816 -4.411 -23.790 1.00 21.32 C ATOM 827 OE1 GLN A 55 -10.575 -4.141 -22.858 1.00 21.03 O ATOM 828 NE2 GLN A 55 -10.265 -4.541 -25.034 1.00 20.10 N ATOM 0 H GLN A 55 -7.104 -7.205 -22.662 1.00 34.14 H new ATOM 0 HA GLN A 55 -9.217 -6.972 -24.648 1.00 30.52 H new ATOM 0 HB2 GLN A 55 -6.535 -5.591 -24.237 1.00 34.12 H new ATOM 0 HB3 GLN A 55 -7.670 -5.189 -25.510 1.00 34.12 H new ATOM 0 HG2 GLN A 55 -8.153 -4.903 -22.516 1.00 44.35 H new ATOM 0 HG3 GLN A 55 -7.829 -3.598 -23.641 1.00 44.35 H new ATOM 0 HE21 GLN A 55 -9.617 -4.765 -25.789 1.00 20.10 H new ATOM 0 HE22 GLN A 55 -11.258 -4.417 -25.234 1.00 20.10 H new ATOM 837 N LYS A 56 -8.302 -8.440 -26.433 1.00 62.43 N ATOM 838 CA LYS A 56 -7.834 -9.302 -27.524 1.00 3.31 C ATOM 839 C LYS A 56 -7.029 -8.502 -28.543 1.00 21.23 C ATOM 840 O LYS A 56 -6.031 -8.984 -29.021 1.00 73.20 O ATOM 841 CB LYS A 56 -9.029 -10.017 -28.203 1.00 42.11 C ATOM 842 CG LYS A 56 -9.869 -10.864 -27.229 1.00 32.23 C ATOM 843 CD LYS A 56 -10.991 -11.652 -27.936 1.00 3.42 C ATOM 844 CE LYS A 56 -11.888 -12.406 -26.940 1.00 22.42 C ATOM 845 NZ LYS A 56 -12.923 -13.237 -27.619 1.00 24.11 N ATOM 0 H LYS A 56 -9.314 -8.312 -26.419 1.00 62.43 H new ATOM 0 HA LYS A 56 -7.177 -10.062 -27.100 1.00 3.31 H new ATOM 0 HB2 LYS A 56 -9.671 -9.271 -28.671 1.00 42.11 H new ATOM 0 HB3 LYS A 56 -8.654 -10.659 -29.000 1.00 42.11 H new ATOM 0 HG2 LYS A 56 -9.216 -11.562 -26.705 1.00 32.23 H new ATOM 0 HG3 LYS A 56 -10.309 -10.212 -26.474 1.00 32.23 H new ATOM 0 HD2 LYS A 56 -11.600 -10.965 -28.523 1.00 3.42 H new ATOM 0 HD3 LYS A 56 -10.549 -12.363 -28.634 1.00 3.42 H new ATOM 0 HE2 LYS A 56 -11.269 -13.045 -26.311 1.00 22.42 H new ATOM 0 HE3 LYS A 56 -12.377 -11.688 -26.282 1.00 22.42 H new ATOM 0 HZ1 LYS A 56 -13.501 -13.724 -26.904 1.00 24.11 H new ATOM 0 HZ2 LYS A 56 -13.533 -12.626 -28.199 1.00 24.11 H new ATOM 0 HZ3 LYS A 56 -12.459 -13.941 -28.227 1.00 24.11 H new ATOM 859 N GLY A 57 -7.452 -7.260 -28.832 1.00 2.33 N ATOM 860 CA GLY A 57 -6.724 -6.396 -29.773 1.00 63.23 C ATOM 861 C GLY A 57 -5.344 -5.987 -29.265 1.00 10.55 C ATOM 862 O GLY A 57 -4.414 -5.797 -30.053 1.00 33.41 O ATOM 0 H GLY A 57 -8.288 -6.835 -28.430 1.00 2.33 H new ATOM 0 HA2 GLY A 57 -6.615 -6.916 -30.725 1.00 63.23 H new ATOM 0 HA3 GLY A 57 -7.314 -5.500 -29.965 1.00 63.23 H new ATOM 866 N ASN A 58 -5.214 -5.855 -27.932 1.00 1.51 N ATOM 867 CA ASN A 58 -3.928 -5.522 -27.290 1.00 10.01 C ATOM 868 C ASN A 58 -3.050 -6.775 -27.190 1.00 53.03 C ATOM 869 O ASN A 58 -1.831 -6.697 -27.352 1.00 22.43 O ATOM 870 CB ASN A 58 -4.141 -4.884 -25.889 1.00 3.42 C ATOM 871 CG ASN A 58 -4.919 -3.554 -25.921 1.00 33.21 C ATOM 872 OD1 ASN A 58 -5.858 -3.374 -26.695 1.00 73.33 O ATOM 873 ND2 ASN A 58 -4.528 -2.603 -25.091 1.00 60.33 N ATOM 0 H ASN A 58 -5.986 -5.974 -27.276 1.00 1.51 H new ATOM 0 HA ASN A 58 -3.419 -4.784 -27.910 1.00 10.01 H new ATOM 0 HB2 ASN A 58 -4.676 -5.592 -25.256 1.00 3.42 H new ATOM 0 HB3 ASN A 58 -3.169 -4.714 -25.426 1.00 3.42 H new ATOM 0 HD21 ASN A 58 -5.007 -1.702 -25.085 1.00 60.33 H new ATOM 0 HD22 ASN A 58 -3.747 -2.770 -24.456 1.00 60.33 H new ATOM 880 N LEU A 59 -3.695 -7.931 -26.942 1.00 5.20 N ATOM 881 CA LEU A 59 -3.013 -9.230 -26.854 1.00 23.32 C ATOM 882 C LEU A 59 -2.434 -9.632 -28.213 1.00 54.45 C ATOM 883 O LEU A 59 -1.267 -10.003 -28.307 1.00 41.33 O ATOM 884 CB LEU A 59 -3.992 -10.339 -26.384 1.00 35.12 C ATOM 885 CG LEU A 59 -3.361 -11.765 -26.252 1.00 61.24 C ATOM 886 CD1 LEU A 59 -2.356 -11.831 -25.086 1.00 43.43 C ATOM 887 CD2 LEU A 59 -4.445 -12.854 -26.137 1.00 52.01 C ATOM 0 H LEU A 59 -4.703 -7.987 -26.798 1.00 5.20 H new ATOM 0 HA LEU A 59 -2.207 -9.125 -26.128 1.00 23.32 H new ATOM 0 HB2 LEU A 59 -4.407 -10.051 -25.418 1.00 35.12 H new ATOM 0 HB3 LEU A 59 -4.824 -10.390 -27.086 1.00 35.12 H new ATOM 0 HG LEU A 59 -2.804 -11.963 -27.168 1.00 61.24 H new ATOM 0 HD11 LEU A 59 -1.937 -12.835 -25.023 1.00 43.43 H new ATOM 0 HD12 LEU A 59 -1.554 -11.113 -25.256 1.00 43.43 H new ATOM 0 HD13 LEU A 59 -2.865 -11.591 -24.153 1.00 43.43 H new ATOM 0 HD21 LEU A 59 -3.971 -13.831 -26.047 1.00 52.01 H new ATOM 0 HD22 LEU A 59 -5.058 -12.666 -25.256 1.00 52.01 H new ATOM 0 HD23 LEU A 59 -5.074 -12.837 -27.027 1.00 52.01 H new ATOM 899 N LEU A 60 -3.278 -9.539 -29.254 1.00 51.02 N ATOM 900 CA LEU A 60 -2.940 -9.964 -30.618 1.00 34.54 C ATOM 901 C LEU A 60 -1.814 -9.101 -31.192 1.00 70.41 C ATOM 902 O LEU A 60 -0.963 -9.617 -31.912 1.00 35.11 O ATOM 903 CB LEU A 60 -4.191 -9.935 -31.538 1.00 54.43 C ATOM 904 CG LEU A 60 -5.320 -10.970 -31.217 1.00 70.25 C ATOM 905 CD1 LEU A 60 -6.524 -10.796 -32.175 1.00 21.20 C ATOM 906 CD2 LEU A 60 -4.781 -12.415 -31.253 1.00 73.43 C ATOM 0 H LEU A 60 -4.222 -9.163 -29.169 1.00 51.02 H new ATOM 0 HA LEU A 60 -2.586 -10.994 -30.573 1.00 34.54 H new ATOM 0 HB2 LEU A 60 -4.623 -8.935 -31.495 1.00 54.43 H new ATOM 0 HB3 LEU A 60 -3.863 -10.096 -32.565 1.00 54.43 H new ATOM 0 HG LEU A 60 -5.671 -10.775 -30.204 1.00 70.25 H new ATOM 0 HD11 LEU A 60 -7.293 -11.528 -31.929 1.00 21.20 H new ATOM 0 HD12 LEU A 60 -6.932 -9.791 -32.068 1.00 21.20 H new ATOM 0 HD13 LEU A 60 -6.195 -10.946 -33.203 1.00 21.20 H new ATOM 0 HD21 LEU A 60 -5.589 -13.110 -31.026 1.00 73.43 H new ATOM 0 HD22 LEU A 60 -4.384 -12.631 -32.245 1.00 73.43 H new ATOM 0 HD23 LEU A 60 -3.988 -12.526 -30.513 1.00 73.43 H new ATOM 918 N ARG A 61 -1.811 -7.804 -30.840 1.00 71.34 N ATOM 919 CA ARG A 61 -0.710 -6.893 -31.193 1.00 25.42 C ATOM 920 C ARG A 61 0.570 -7.320 -30.455 1.00 72.32 C ATOM 921 O ARG A 61 1.627 -7.430 -31.062 1.00 50.31 O ATOM 922 CB ARG A 61 -1.040 -5.424 -30.829 1.00 23.12 C ATOM 923 CG ARG A 61 0.067 -4.413 -31.241 1.00 20.23 C ATOM 924 CD ARG A 61 -0.017 -3.066 -30.503 1.00 32.30 C ATOM 925 NE ARG A 61 -1.284 -2.362 -30.728 1.00 74.34 N ATOM 926 CZ ARG A 61 -1.630 -1.199 -30.163 1.00 33.40 C ATOM 927 NH1 ARG A 61 -0.823 -0.551 -29.329 1.00 2.34 N ATOM 928 NH2 ARG A 61 -2.811 -0.675 -30.436 1.00 33.01 N ATOM 0 H ARG A 61 -2.562 -7.362 -30.309 1.00 71.34 H new ATOM 0 HA ARG A 61 -0.565 -6.952 -32.272 1.00 25.42 H new ATOM 0 HB2 ARG A 61 -1.976 -5.141 -31.311 1.00 23.12 H new ATOM 0 HB3 ARG A 61 -1.202 -5.353 -29.753 1.00 23.12 H new ATOM 0 HG2 ARG A 61 1.043 -4.860 -31.052 1.00 20.23 H new ATOM 0 HG3 ARG A 61 0.001 -4.234 -32.314 1.00 20.23 H new ATOM 0 HD2 ARG A 61 0.112 -3.236 -29.434 1.00 32.30 H new ATOM 0 HD3 ARG A 61 0.807 -2.430 -30.826 1.00 32.30 H new ATOM 0 HE ARG A 61 -1.954 -2.793 -31.365 1.00 74.34 H new ATOM 0 HH11 ARG A 61 0.093 -0.938 -29.101 1.00 2.34 H new ATOM 0 HH12 ARG A 61 -1.119 0.334 -28.917 1.00 2.34 H new ATOM 0 HH21 ARG A 61 -3.448 -1.156 -31.071 1.00 33.01 H new ATOM 0 HH22 ARG A 61 -3.086 0.211 -30.012 1.00 33.01 H new ATOM 942 N HIS A 62 0.433 -7.582 -29.137 1.00 52.43 N ATOM 943 CA HIS A 62 1.565 -7.903 -28.249 1.00 25.43 C ATOM 944 C HIS A 62 2.301 -9.176 -28.717 1.00 53.44 C ATOM 945 O HIS A 62 3.515 -9.145 -28.936 1.00 52.21 O ATOM 946 CB HIS A 62 1.057 -8.070 -26.793 1.00 63.44 C ATOM 947 CG HIS A 62 2.115 -8.370 -25.772 1.00 52.41 C ATOM 948 ND1 HIS A 62 2.667 -7.426 -24.943 1.00 43.22 N ATOM 949 CD2 HIS A 62 2.678 -9.550 -25.418 1.00 44.32 C ATOM 950 CE1 HIS A 62 3.528 -8.042 -24.133 1.00 1.10 C ATOM 951 NE2 HIS A 62 3.588 -9.343 -24.381 1.00 11.23 N ATOM 0 H HIS A 62 -0.469 -7.576 -28.661 1.00 52.43 H new ATOM 0 HA HIS A 62 2.278 -7.079 -28.287 1.00 25.43 H new ATOM 0 HB2 HIS A 62 0.541 -7.156 -26.499 1.00 63.44 H new ATOM 0 HB3 HIS A 62 0.319 -8.872 -26.773 1.00 63.44 H new ATOM 0 HD1 HIS A 62 2.456 -6.428 -24.946 1.00 43.22 H new ATOM 0 HD2 HIS A 62 2.456 -10.506 -25.870 1.00 44.32 H new ATOM 0 HE1 HIS A 62 4.105 -7.543 -23.369 1.00 1.10 H new ATOM 959 N ILE A 63 1.547 -10.275 -28.892 1.00 43.31 N ATOM 960 CA ILE A 63 2.091 -11.583 -29.320 1.00 73.00 C ATOM 961 C ILE A 63 2.611 -11.522 -30.770 1.00 33.23 C ATOM 962 O ILE A 63 3.485 -12.306 -31.148 1.00 33.12 O ATOM 963 CB ILE A 63 1.039 -12.748 -29.137 1.00 11.10 C ATOM 964 CG1 ILE A 63 -0.205 -12.541 -30.063 1.00 32.14 C ATOM 965 CG2 ILE A 63 0.604 -12.855 -27.653 1.00 42.34 C ATOM 966 CD1 ILE A 63 -1.328 -13.564 -29.914 1.00 32.23 C ATOM 0 H ILE A 63 0.538 -10.285 -28.741 1.00 43.31 H new ATOM 0 HA ILE A 63 2.936 -11.809 -28.670 1.00 73.00 H new ATOM 0 HB ILE A 63 1.518 -13.683 -29.429 1.00 11.10 H new ATOM 0 HG12 ILE A 63 -0.615 -11.550 -29.870 1.00 32.14 H new ATOM 0 HG13 ILE A 63 0.133 -12.550 -31.099 1.00 32.14 H new ATOM 0 HG21 ILE A 63 -0.121 -13.662 -27.544 1.00 42.34 H new ATOM 0 HG22 ILE A 63 1.476 -13.063 -27.032 1.00 42.34 H new ATOM 0 HG23 ILE A 63 0.151 -11.915 -27.338 1.00 42.34 H new ATOM 0 HD11 ILE A 63 -2.136 -13.321 -30.604 1.00 32.23 H new ATOM 0 HD12 ILE A 63 -0.946 -14.559 -30.140 1.00 32.23 H new ATOM 0 HD13 ILE A 63 -1.706 -13.544 -28.892 1.00 32.23 H new ATOM 978 N LYS A 64 2.049 -10.592 -31.572 1.00 34.23 N ATOM 979 CA LYS A 64 2.537 -10.293 -32.931 1.00 14.05 C ATOM 980 C LYS A 64 3.946 -9.663 -32.838 1.00 41.23 C ATOM 981 O LYS A 64 4.852 -10.081 -33.545 1.00 52.24 O ATOM 982 CB LYS A 64 1.515 -9.361 -33.669 1.00 62.24 C ATOM 983 CG LYS A 64 1.591 -9.302 -35.222 1.00 11.04 C ATOM 984 CD LYS A 64 2.800 -8.528 -35.792 1.00 23.05 C ATOM 985 CE LYS A 64 2.825 -7.048 -35.376 1.00 30.24 C ATOM 986 NZ LYS A 64 4.006 -6.338 -35.944 1.00 14.12 N ATOM 0 H LYS A 64 1.245 -10.029 -31.294 1.00 34.23 H new ATOM 0 HA LYS A 64 2.619 -11.209 -33.517 1.00 14.05 H new ATOM 0 HB2 LYS A 64 0.510 -9.679 -33.393 1.00 62.24 H new ATOM 0 HB3 LYS A 64 1.646 -8.349 -33.287 1.00 62.24 H new ATOM 0 HG2 LYS A 64 1.618 -10.321 -35.608 1.00 11.04 H new ATOM 0 HG3 LYS A 64 0.676 -8.843 -35.597 1.00 11.04 H new ATOM 0 HD2 LYS A 64 3.720 -9.008 -35.458 1.00 23.05 H new ATOM 0 HD3 LYS A 64 2.784 -8.592 -36.880 1.00 23.05 H new ATOM 0 HE2 LYS A 64 1.910 -6.560 -35.712 1.00 30.24 H new ATOM 0 HE3 LYS A 64 2.845 -6.975 -34.289 1.00 30.24 H new ATOM 0 HZ1 LYS A 64 3.990 -5.343 -35.643 1.00 14.12 H new ATOM 0 HZ2 LYS A 64 4.879 -6.789 -35.604 1.00 14.12 H new ATOM 0 HZ3 LYS A 64 3.974 -6.386 -36.982 1.00 14.12 H new ATOM 1000 N LEU A 65 4.118 -8.715 -31.891 1.00 33.31 N ATOM 1001 CA LEU A 65 5.385 -7.950 -31.699 1.00 3.23 C ATOM 1002 C LEU A 65 6.589 -8.840 -31.313 1.00 63.20 C ATOM 1003 O LEU A 65 7.736 -8.380 -31.357 1.00 2.40 O ATOM 1004 CB LEU A 65 5.191 -6.840 -30.624 1.00 32.24 C ATOM 1005 CG LEU A 65 4.232 -5.667 -31.004 1.00 70.51 C ATOM 1006 CD1 LEU A 65 4.006 -4.707 -29.812 1.00 13.11 C ATOM 1007 CD2 LEU A 65 4.748 -4.901 -32.240 1.00 60.00 C ATOM 0 H LEU A 65 3.384 -8.453 -31.233 1.00 33.31 H new ATOM 0 HA LEU A 65 5.617 -7.503 -32.666 1.00 3.23 H new ATOM 0 HB2 LEU A 65 4.815 -7.307 -29.714 1.00 32.24 H new ATOM 0 HB3 LEU A 65 6.168 -6.419 -30.387 1.00 32.24 H new ATOM 0 HG LEU A 65 3.268 -6.107 -31.260 1.00 70.51 H new ATOM 0 HD11 LEU A 65 3.334 -3.904 -30.114 1.00 13.11 H new ATOM 0 HD12 LEU A 65 3.564 -5.257 -28.981 1.00 13.11 H new ATOM 0 HD13 LEU A 65 4.961 -4.283 -29.500 1.00 13.11 H new ATOM 0 HD21 LEU A 65 4.059 -4.091 -32.480 1.00 60.00 H new ATOM 0 HD22 LEU A 65 5.734 -4.488 -32.027 1.00 60.00 H new ATOM 0 HD23 LEU A 65 4.816 -5.582 -33.088 1.00 60.00 H new ATOM 1019 N HIS A 66 6.314 -10.097 -30.926 1.00 1.21 N ATOM 1020 CA HIS A 66 7.351 -11.100 -30.596 1.00 51.02 C ATOM 1021 C HIS A 66 8.257 -11.435 -31.787 1.00 50.15 C ATOM 1022 O HIS A 66 9.439 -11.736 -31.594 1.00 20.11 O ATOM 1023 CB HIS A 66 6.691 -12.396 -30.052 1.00 72.24 C ATOM 1024 CG HIS A 66 6.207 -12.281 -28.637 1.00 54.50 C ATOM 1025 ND1 HIS A 66 6.400 -13.250 -27.688 1.00 32.34 N ATOM 1026 CD2 HIS A 66 5.524 -11.290 -28.019 1.00 3.13 C ATOM 1027 CE1 HIS A 66 5.849 -12.828 -26.558 1.00 70.14 C ATOM 1028 NE2 HIS A 66 5.299 -11.640 -26.699 1.00 43.31 N ATOM 0 H HIS A 66 5.362 -10.452 -30.832 1.00 1.21 H new ATOM 0 HA HIS A 66 7.984 -10.656 -29.828 1.00 51.02 H new ATOM 0 HB2 HIS A 66 5.850 -12.661 -30.693 1.00 72.24 H new ATOM 0 HB3 HIS A 66 7.410 -13.213 -30.115 1.00 72.24 H new ATOM 0 HD2 HIS A 66 5.204 -10.369 -28.484 1.00 3.13 H new ATOM 0 HE1 HIS A 66 5.851 -13.390 -25.636 1.00 70.14 H new ATOM 0 HE2 HIS A 66 4.812 -11.095 -25.988 1.00 43.31 H new ATOM 1036 N SER A 67 7.707 -11.365 -33.009 1.00 40.45 N ATOM 1037 CA SER A 67 8.419 -11.784 -34.233 1.00 3.14 C ATOM 1038 C SER A 67 7.668 -11.322 -35.488 1.00 25.10 C ATOM 1039 O SER A 67 6.477 -11.010 -35.421 1.00 32.05 O ATOM 1040 CB SER A 67 8.601 -13.323 -34.239 1.00 15.33 C ATOM 1041 OG SER A 67 7.368 -13.984 -33.993 1.00 21.23 O ATOM 0 H SER A 67 6.763 -11.019 -33.179 1.00 40.45 H new ATOM 0 HA SER A 67 9.403 -11.314 -34.241 1.00 3.14 H new ATOM 0 HB2 SER A 67 9.002 -13.641 -35.201 1.00 15.33 H new ATOM 0 HB3 SER A 67 9.329 -13.609 -33.480 1.00 15.33 H new ATOM 0 HG SER A 67 7.509 -14.954 -34.004 1.00 21.23 H new ATOM 1047 N GLY A 68 8.372 -11.287 -36.635 1.00 1.15 N ATOM 1048 CA GLY A 68 7.772 -10.914 -37.919 1.00 15.35 C ATOM 1049 C GLY A 68 7.071 -12.089 -38.602 1.00 54.43 C ATOM 1050 O GLY A 68 6.602 -13.011 -37.913 1.00 25.00 O ATOM 0 H GLY A 68 9.364 -11.515 -36.693 1.00 1.15 H new ATOM 0 HA2 GLY A 68 7.054 -10.109 -37.761 1.00 15.35 H new ATOM 0 HA3 GLY A 68 8.547 -10.524 -38.579 1.00 15.35 H new ATOM 1054 N GLU A 69 6.993 -12.040 -39.951 1.00 14.44 N ATOM 1055 CA GLU A 69 6.313 -13.063 -40.789 1.00 1.24 C ATOM 1056 C GLU A 69 4.806 -13.167 -40.410 1.00 73.23 C ATOM 1057 O GLU A 69 4.172 -14.221 -40.533 1.00 23.21 O ATOM 1058 CB GLU A 69 7.052 -14.443 -40.665 1.00 42.32 C ATOM 1059 CG GLU A 69 6.671 -15.483 -41.741 1.00 25.22 C ATOM 1060 CD GLU A 69 7.347 -16.852 -41.537 1.00 1.01 C ATOM 1061 OE1 GLU A 69 8.480 -17.050 -42.028 1.00 31.33 O ATOM 1062 OE2 GLU A 69 6.749 -17.739 -40.885 1.00 72.34 O ATOM 0 H GLU A 69 7.403 -11.283 -40.497 1.00 14.44 H new ATOM 0 HA GLU A 69 6.360 -12.759 -41.835 1.00 1.24 H new ATOM 0 HB2 GLU A 69 8.127 -14.269 -40.713 1.00 42.32 H new ATOM 0 HB3 GLU A 69 6.841 -14.865 -39.682 1.00 42.32 H new ATOM 0 HG2 GLU A 69 5.589 -15.617 -41.739 1.00 25.22 H new ATOM 0 HG3 GLU A 69 6.943 -15.095 -42.723 1.00 25.22 H new ATOM 1069 N LYS A 70 4.236 -12.040 -39.964 1.00 73.43 N ATOM 1070 CA LYS A 70 2.859 -11.973 -39.439 1.00 72.11 C ATOM 1071 C LYS A 70 2.064 -10.861 -40.136 1.00 31.42 C ATOM 1072 O LYS A 70 2.631 -9.796 -40.431 1.00 2.33 O ATOM 1073 CB LYS A 70 2.897 -11.722 -37.909 1.00 34.53 C ATOM 1074 CG LYS A 70 3.385 -12.928 -37.076 1.00 41.31 C ATOM 1075 CD LYS A 70 3.625 -12.543 -35.604 1.00 33.02 C ATOM 1076 CE LYS A 70 4.133 -13.708 -34.745 1.00 23.42 C ATOM 1077 NZ LYS A 70 4.695 -13.225 -33.455 1.00 63.14 N ATOM 0 H LYS A 70 4.718 -11.141 -39.956 1.00 73.43 H new ATOM 0 HA LYS A 70 2.362 -12.923 -39.638 1.00 72.11 H new ATOM 0 HB2 LYS A 70 3.548 -10.871 -37.709 1.00 34.53 H new ATOM 0 HB3 LYS A 70 1.898 -11.445 -37.574 1.00 34.53 H new ATOM 0 HG2 LYS A 70 2.647 -13.728 -37.127 1.00 41.31 H new ATOM 0 HG3 LYS A 70 4.308 -13.318 -37.506 1.00 41.31 H new ATOM 0 HD2 LYS A 70 4.348 -11.728 -35.562 1.00 33.02 H new ATOM 0 HD3 LYS A 70 2.695 -12.166 -35.178 1.00 33.02 H new ATOM 0 HE2 LYS A 70 3.316 -14.402 -34.550 1.00 23.42 H new ATOM 0 HE3 LYS A 70 4.897 -14.260 -35.293 1.00 23.42 H new ATOM 0 HZ1 LYS A 70 5.649 -13.618 -33.323 1.00 63.14 H new ATOM 0 HZ2 LYS A 70 4.747 -12.186 -33.466 1.00 63.14 H new ATOM 0 HZ3 LYS A 70 4.082 -13.532 -32.673 1.00 63.14 H new ATOM 1091 N PRO A 71 0.732 -11.087 -40.402 1.00 42.03 N ATOM 1092 CA PRO A 71 -0.182 -10.043 -40.925 1.00 41.23 C ATOM 1093 C PRO A 71 -0.269 -8.838 -39.968 1.00 60.21 C ATOM 1094 O PRO A 71 -0.258 -9.001 -38.739 1.00 14.31 O ATOM 1095 CB PRO A 71 -1.549 -10.779 -41.034 1.00 40.22 C ATOM 1096 CG PRO A 71 -1.425 -11.961 -40.125 1.00 12.21 C ATOM 1097 CD PRO A 71 0.018 -12.385 -40.222 1.00 50.04 C ATOM 0 HA PRO A 71 0.153 -9.627 -41.875 1.00 41.23 H new ATOM 0 HB2 PRO A 71 -2.371 -10.132 -40.730 1.00 40.22 H new ATOM 0 HB3 PRO A 71 -1.750 -11.089 -42.060 1.00 40.22 H new ATOM 0 HG2 PRO A 71 -1.690 -11.699 -39.101 1.00 12.21 H new ATOM 0 HG3 PRO A 71 -2.093 -12.766 -40.432 1.00 12.21 H new ATOM 0 HD2 PRO A 71 0.348 -12.907 -39.324 1.00 50.04 H new ATOM 0 HD3 PRO A 71 0.186 -13.059 -41.062 1.00 50.04 H new ATOM 1105 N PHE A 72 -0.355 -7.639 -40.549 1.00 60.30 N ATOM 1106 CA PHE A 72 -0.378 -6.377 -39.797 1.00 31.42 C ATOM 1107 C PHE A 72 -1.828 -6.041 -39.401 1.00 42.35 C ATOM 1108 O PHE A 72 -2.222 -6.224 -38.241 1.00 61.11 O ATOM 1109 CB PHE A 72 0.252 -5.234 -40.645 1.00 44.05 C ATOM 1110 CG PHE A 72 1.681 -5.525 -41.116 1.00 31.24 C ATOM 1111 CD1 PHE A 72 1.920 -6.256 -42.286 1.00 74.22 C ATOM 1112 CD2 PHE A 72 2.786 -5.071 -40.393 1.00 41.34 C ATOM 1113 CE1 PHE A 72 3.212 -6.528 -42.705 1.00 44.53 C ATOM 1114 CE2 PHE A 72 4.074 -5.345 -40.812 1.00 21.44 C ATOM 1115 CZ PHE A 72 4.286 -6.065 -41.972 1.00 43.24 C ATOM 0 H PHE A 72 -0.411 -7.513 -41.560 1.00 60.30 H new ATOM 0 HA PHE A 72 0.214 -6.483 -38.888 1.00 31.42 H new ATOM 0 HB2 PHE A 72 -0.377 -5.052 -41.516 1.00 44.05 H new ATOM 0 HB3 PHE A 72 0.254 -4.317 -40.056 1.00 44.05 H new ATOM 0 HD1 PHE A 72 1.085 -6.613 -42.870 1.00 74.22 H new ATOM 0 HD2 PHE A 72 2.631 -4.496 -39.492 1.00 41.34 H new ATOM 0 HE1 PHE A 72 3.379 -7.102 -43.605 1.00 44.53 H new ATOM 0 HE2 PHE A 72 4.916 -4.996 -40.232 1.00 21.44 H new ATOM 0 HZ PHE A 72 5.293 -6.266 -42.306 1.00 43.24 H new ATOM 1125 N LYS A 73 -2.622 -5.591 -40.397 1.00 54.12 N ATOM 1126 CA LYS A 73 -4.015 -5.147 -40.204 1.00 4.51 C ATOM 1127 C LYS A 73 -4.720 -5.044 -41.594 1.00 10.35 C ATOM 1128 O LYS A 73 -4.997 -3.929 -42.095 1.00 41.43 O ATOM 1129 CB LYS A 73 -4.059 -3.809 -39.380 1.00 70.11 C ATOM 1130 CG LYS A 73 -3.040 -2.737 -39.831 1.00 22.10 C ATOM 1131 CD LYS A 73 -3.116 -1.434 -39.018 1.00 13.01 C ATOM 1132 CE LYS A 73 -2.051 -0.417 -39.479 1.00 42.44 C ATOM 1133 NZ LYS A 73 -2.150 -0.100 -40.932 1.00 32.31 N ATOM 1134 OXT LYS A 73 -4.953 -6.107 -42.208 1.00 37.26 O ATOM 0 H LYS A 73 -2.309 -5.526 -41.366 1.00 54.12 H new ATOM 0 HA LYS A 73 -4.567 -5.879 -39.614 1.00 4.51 H new ATOM 0 HB2 LYS A 73 -5.062 -3.389 -39.449 1.00 70.11 H new ATOM 0 HB3 LYS A 73 -3.882 -4.039 -38.329 1.00 70.11 H new ATOM 0 HG2 LYS A 73 -2.034 -3.148 -39.750 1.00 22.10 H new ATOM 0 HG3 LYS A 73 -3.207 -2.509 -40.884 1.00 22.10 H new ATOM 0 HD2 LYS A 73 -4.109 -0.996 -39.123 1.00 13.01 H new ATOM 0 HD3 LYS A 73 -2.975 -1.655 -37.960 1.00 13.01 H new ATOM 0 HE2 LYS A 73 -2.158 0.502 -38.903 1.00 42.44 H new ATOM 0 HE3 LYS A 73 -1.059 -0.814 -39.265 1.00 42.44 H new ATOM 0 HZ1 LYS A 73 -1.531 0.705 -41.155 1.00 32.31 H new ATOM 0 HZ2 LYS A 73 -1.855 -0.927 -41.489 1.00 32.31 H new ATOM 0 HZ3 LYS A 73 -3.133 0.144 -41.168 1.00 32.31 H new TER 1148 LYS A 73 HETATM 1149 ZN ZN A 101 4.914 -10.715 -24.213 1.00 1.32 ZN