USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=16 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 21 CYS SG : rot 29:sc= 0.215 USER MOD Set 1.2: A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc=-0.00661 X(o=-0.0066,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0051) 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=-0.0015) USER MOD Single : A 11 MET CE :methyl 164:sc= -0.0955 (180deg=-0.41) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 15 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0159) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 47:sc= -0.16 USER MOD Single : A 25 CYS SG : rot 180:sc= -0.707 USER MOD Single : A 29 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.15) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.278 X(o=-0.28,f=0.041) USER MOD Single : A 35 LYS NZ :NH3+ -170:sc= -0.0103 (180deg=-0.141) USER MOD Single : A 37 SER OG : rot 76:sc= 0.121 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HE2:sc= 0.571 K(o=0.57,f=-1.9!) USER MOD Single : A 47 ASN : amide:sc= -0.326 K(o=-0.33,f=-1.9!) USER MOD Single : A 48 GLN : amide:sc= -0.557 K(o=-0.56,f=0) USER MOD Single : A 52 SER OG : rot 34:sc= 0.0494 USER MOD Single : A 54 THR OG1 : rot -20:sc= 0.0986 USER MOD Single : A 55 GLN : amide:sc= -0.133 X(o=-0.13,f=0.33) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -1.62! C(o=-1.6!,f=-4.6!) USER MOD Single : A 64 LYS NZ :NH3+ 175:sc= 0.193 (180deg=0.184) USER MOD Single : A 66 HIS : no HD1:sc= -1.32! C(o=-1.3!,f=-6.1!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0242) USER MOD Single : A 73 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -54.580 74.704 -4.479 1.00 54.30 N ATOM 2 CA MET A 1 -54.016 73.664 -5.363 1.00 30.34 C ATOM 3 C MET A 1 -54.005 72.312 -4.633 1.00 51.22 C ATOM 4 O MET A 1 -53.234 72.120 -3.683 1.00 61.20 O ATOM 5 CB MET A 1 -52.580 74.050 -5.823 1.00 24.03 C ATOM 6 CG MET A 1 -51.913 73.034 -6.769 1.00 51.44 C ATOM 7 SD MET A 1 -50.232 73.499 -7.230 1.00 31.52 S ATOM 8 CE MET A 1 -49.769 72.135 -8.304 1.00 72.22 C ATOM 0 H1 MET A 1 -54.586 75.617 -4.977 1.00 54.30 H new ATOM 0 H2 MET A 1 -55.553 74.447 -4.217 1.00 54.30 H new ATOM 0 H3 MET A 1 -53.999 74.782 -3.620 1.00 54.30 H new ATOM 0 HA MET A 1 -54.642 73.581 -6.252 1.00 30.34 H new ATOM 0 HB2 MET A 1 -52.621 75.018 -6.322 1.00 24.03 H new ATOM 0 HB3 MET A 1 -51.951 74.172 -4.941 1.00 24.03 H new ATOM 0 HG2 MET A 1 -51.895 72.056 -6.288 1.00 51.44 H new ATOM 0 HG3 MET A 1 -52.517 72.935 -7.671 1.00 51.44 H new ATOM 0 HE1 MET A 1 -48.752 72.286 -8.666 1.00 72.22 H new ATOM 0 HE2 MET A 1 -49.821 71.199 -7.747 1.00 72.22 H new ATOM 0 HE3 MET A 1 -50.453 72.091 -9.152 1.00 72.22 H new ATOM 20 N GLY A 2 -54.874 71.391 -5.078 1.00 74.21 N ATOM 21 CA GLY A 2 -54.957 70.049 -4.510 1.00 44.12 C ATOM 22 C GLY A 2 -55.888 69.161 -5.318 1.00 22.03 C ATOM 23 O GLY A 2 -56.852 68.618 -4.780 1.00 54.04 O ATOM 0 H GLY A 2 -55.533 71.561 -5.838 1.00 74.21 H new ATOM 0 HA2 GLY A 2 -53.963 69.603 -4.479 1.00 44.12 H new ATOM 0 HA3 GLY A 2 -55.311 70.109 -3.481 1.00 44.12 H new ATOM 27 N HIS A 3 -55.595 69.043 -6.623 1.00 13.40 N ATOM 28 CA HIS A 3 -56.397 68.249 -7.577 1.00 32.55 C ATOM 29 C HIS A 3 -55.965 66.775 -7.539 1.00 33.42 C ATOM 30 O HIS A 3 -54.798 66.474 -7.801 1.00 33.43 O ATOM 31 CB HIS A 3 -56.211 68.816 -9.009 1.00 14.14 C ATOM 32 CG HIS A 3 -56.940 68.066 -10.108 1.00 72.53 C ATOM 33 ND1 HIS A 3 -56.350 67.077 -10.868 1.00 12.41 N ATOM 34 CD2 HIS A 3 -58.198 68.190 -10.586 1.00 35.13 C ATOM 35 CE1 HIS A 3 -57.214 66.635 -11.759 1.00 65.43 C ATOM 36 NE2 HIS A 3 -58.343 67.293 -11.609 1.00 43.14 N ATOM 0 H HIS A 3 -54.789 69.498 -7.052 1.00 13.40 H new ATOM 0 HA HIS A 3 -57.448 68.312 -7.295 1.00 32.55 H new ATOM 0 HB2 HIS A 3 -56.546 69.853 -9.017 1.00 14.14 H new ATOM 0 HB3 HIS A 3 -55.146 68.823 -9.243 1.00 14.14 H new ATOM 0 HD2 HIS A 3 -58.953 68.874 -10.226 1.00 35.13 H new ATOM 0 HE1 HIS A 3 -57.027 65.862 -12.490 1.00 65.43 H new ATOM 0 HE2 HIS A 3 -59.188 67.157 -12.164 1.00 43.14 H new ATOM 45 N HIS A 4 -56.913 65.870 -7.222 1.00 63.41 N ATOM 46 CA HIS A 4 -56.671 64.414 -7.261 1.00 4.41 C ATOM 47 C HIS A 4 -56.556 63.948 -8.725 1.00 15.21 C ATOM 48 O HIS A 4 -57.376 64.329 -9.573 1.00 21.13 O ATOM 49 CB HIS A 4 -57.786 63.619 -6.511 1.00 74.14 C ATOM 50 CG HIS A 4 -59.200 63.788 -7.039 1.00 74.44 C ATOM 51 ND1 HIS A 4 -60.099 64.680 -6.496 1.00 31.42 N ATOM 52 CD2 HIS A 4 -59.867 63.165 -8.043 1.00 42.54 C ATOM 53 CE1 HIS A 4 -61.245 64.601 -7.139 1.00 62.24 C ATOM 54 NE2 HIS A 4 -61.128 63.691 -8.079 1.00 12.00 N ATOM 0 H HIS A 4 -57.858 66.124 -6.935 1.00 63.41 H new ATOM 0 HA HIS A 4 -55.734 64.210 -6.744 1.00 4.41 H new ATOM 0 HB2 HIS A 4 -57.532 62.559 -6.544 1.00 74.14 H new ATOM 0 HB3 HIS A 4 -57.774 63.918 -5.463 1.00 74.14 H new ATOM 0 HD2 HIS A 4 -59.475 62.397 -8.693 1.00 42.54 H new ATOM 0 HE1 HIS A 4 -62.130 65.184 -6.930 1.00 62.24 H new ATOM 0 HE2 HIS A 4 -61.862 63.420 -8.733 1.00 12.00 H new ATOM 63 N HIS A 5 -55.520 63.152 -9.012 1.00 13.15 N ATOM 64 CA HIS A 5 -55.282 62.587 -10.340 1.00 4.12 C ATOM 65 C HIS A 5 -54.402 61.338 -10.198 1.00 21.43 C ATOM 66 O HIS A 5 -53.196 61.447 -9.934 1.00 65.53 O ATOM 67 CB HIS A 5 -54.629 63.639 -11.290 1.00 0.22 C ATOM 68 CG HIS A 5 -54.476 63.171 -12.725 1.00 51.33 C ATOM 69 ND1 HIS A 5 -55.428 63.391 -13.697 1.00 13.42 N ATOM 70 CD2 HIS A 5 -53.484 62.483 -13.338 1.00 30.33 C ATOM 71 CE1 HIS A 5 -55.025 62.859 -14.834 1.00 0.12 C ATOM 72 NE2 HIS A 5 -53.849 62.304 -14.644 1.00 11.32 N ATOM 0 H HIS A 5 -54.819 62.881 -8.322 1.00 13.15 H new ATOM 0 HA HIS A 5 -56.234 62.304 -10.790 1.00 4.12 H new ATOM 0 HB2 HIS A 5 -55.232 64.547 -11.278 1.00 0.22 H new ATOM 0 HB3 HIS A 5 -53.647 63.904 -10.899 1.00 0.22 H new ATOM 0 HD2 HIS A 5 -52.570 62.138 -12.879 1.00 30.33 H new ATOM 0 HE1 HIS A 5 -55.570 62.876 -15.766 1.00 0.12 H new ATOM 0 HE2 HIS A 5 -53.299 61.820 -15.353 1.00 11.32 H new ATOM 81 N HIS A 6 -55.021 60.148 -10.351 1.00 40.12 N ATOM 82 CA HIS A 6 -54.304 58.860 -10.318 1.00 64.35 C ATOM 83 C HIS A 6 -53.453 58.706 -11.594 1.00 31.55 C ATOM 84 O HIS A 6 -53.780 59.273 -12.647 1.00 34.02 O ATOM 85 CB HIS A 6 -55.288 57.657 -10.138 1.00 43.14 C ATOM 86 CG HIS A 6 -56.103 57.284 -11.362 1.00 72.44 C ATOM 87 ND1 HIS A 6 -57.341 57.818 -11.642 1.00 32.43 N ATOM 88 CD2 HIS A 6 -55.843 56.410 -12.369 1.00 23.22 C ATOM 89 CE1 HIS A 6 -57.799 57.293 -12.763 1.00 13.51 C ATOM 90 NE2 HIS A 6 -56.908 56.439 -13.218 1.00 20.11 N ATOM 0 H HIS A 6 -56.026 60.055 -10.500 1.00 40.12 H new ATOM 0 HA HIS A 6 -53.641 58.854 -9.453 1.00 64.35 H new ATOM 0 HB2 HIS A 6 -54.713 56.785 -9.828 1.00 43.14 H new ATOM 0 HB3 HIS A 6 -55.975 57.892 -9.325 1.00 43.14 H new ATOM 0 HD2 HIS A 6 -54.956 55.804 -12.477 1.00 23.22 H new ATOM 0 HE1 HIS A 6 -58.746 57.525 -13.228 1.00 13.51 H new ATOM 0 HE2 HIS A 6 -57.000 55.887 -14.071 1.00 20.11 H new ATOM 99 N HIS A 7 -52.375 57.929 -11.486 1.00 52.23 N ATOM 100 CA HIS A 7 -51.397 57.735 -12.572 1.00 61.40 C ATOM 101 C HIS A 7 -51.599 56.360 -13.248 1.00 61.11 C ATOM 102 O HIS A 7 -52.661 55.740 -13.096 1.00 62.40 O ATOM 103 CB HIS A 7 -49.964 57.932 -12.007 1.00 25.32 C ATOM 104 CG HIS A 7 -49.702 59.347 -11.557 1.00 32.10 C ATOM 105 ND1 HIS A 7 -49.759 59.742 -10.243 1.00 52.23 N ATOM 106 CD2 HIS A 7 -49.411 60.464 -12.267 1.00 34.12 C ATOM 107 CE1 HIS A 7 -49.517 61.032 -10.160 1.00 1.23 C ATOM 108 NE2 HIS A 7 -49.301 61.497 -11.373 1.00 34.31 N ATOM 0 H HIS A 7 -52.149 57.410 -10.638 1.00 52.23 H new ATOM 0 HA HIS A 7 -51.549 58.479 -13.354 1.00 61.40 H new ATOM 0 HB2 HIS A 7 -49.814 57.255 -11.166 1.00 25.32 H new ATOM 0 HB3 HIS A 7 -49.236 57.658 -12.771 1.00 25.32 H new ATOM 0 HD2 HIS A 7 -49.289 60.528 -13.338 1.00 34.12 H new ATOM 0 HE1 HIS A 7 -49.499 61.613 -9.250 1.00 1.23 H new ATOM 0 HE2 HIS A 7 -49.087 62.466 -11.608 1.00 34.31 H new ATOM 117 N HIS A 8 -50.592 55.908 -14.024 1.00 33.05 N ATOM 118 CA HIS A 8 -50.672 54.666 -14.832 1.00 21.35 C ATOM 119 C HIS A 8 -50.707 53.384 -13.970 1.00 32.44 C ATOM 120 O HIS A 8 -50.435 53.404 -12.763 1.00 42.34 O ATOM 121 CB HIS A 8 -49.490 54.602 -15.840 1.00 31.22 C ATOM 122 CG HIS A 8 -49.590 55.579 -16.978 1.00 3.12 C ATOM 123 ND1 HIS A 8 -48.590 56.463 -17.321 1.00 54.41 N ATOM 124 CD2 HIS A 8 -50.582 55.784 -17.872 1.00 74.53 C ATOM 125 CE1 HIS A 8 -48.971 57.166 -18.368 1.00 21.41 C ATOM 126 NE2 HIS A 8 -50.171 56.771 -18.719 1.00 40.04 N ATOM 0 H HIS A 8 -49.698 56.392 -14.110 1.00 33.05 H new ATOM 0 HA HIS A 8 -51.617 54.706 -15.374 1.00 21.35 H new ATOM 0 HB2 HIS A 8 -48.560 54.784 -15.302 1.00 31.22 H new ATOM 0 HB3 HIS A 8 -49.431 53.593 -16.248 1.00 31.22 H new ATOM 0 HD2 HIS A 8 -51.527 55.262 -17.909 1.00 74.53 H new ATOM 0 HE1 HIS A 8 -48.393 57.937 -18.855 1.00 21.41 H new ATOM 0 HE2 HIS A 8 -50.711 57.142 -19.501 1.00 40.04 H new ATOM 135 N SER A 9 -51.080 52.279 -14.632 1.00 63.30 N ATOM 136 CA SER A 9 -51.080 50.917 -14.076 1.00 72.33 C ATOM 137 C SER A 9 -50.547 49.937 -15.151 1.00 44.54 C ATOM 138 O SER A 9 -50.081 50.369 -16.219 1.00 50.50 O ATOM 139 CB SER A 9 -52.516 50.538 -13.636 1.00 22.40 C ATOM 140 OG SER A 9 -53.054 51.496 -12.736 1.00 30.43 O ATOM 0 H SER A 9 -51.400 52.309 -15.600 1.00 63.30 H new ATOM 0 HA SER A 9 -50.432 50.863 -13.201 1.00 72.33 H new ATOM 0 HB2 SER A 9 -53.158 50.461 -14.513 1.00 22.40 H new ATOM 0 HB3 SER A 9 -52.505 49.557 -13.161 1.00 22.40 H new ATOM 0 HG SER A 9 -53.961 51.229 -12.478 1.00 30.43 H new ATOM 146 N HIS A 10 -50.593 48.629 -14.853 1.00 31.23 N ATOM 147 CA HIS A 10 -50.219 47.545 -15.790 1.00 65.10 C ATOM 148 C HIS A 10 -51.151 46.349 -15.542 1.00 43.12 C ATOM 149 O HIS A 10 -51.162 45.797 -14.434 1.00 11.54 O ATOM 150 CB HIS A 10 -48.728 47.114 -15.593 1.00 73.03 C ATOM 151 CG HIS A 10 -47.704 48.146 -16.011 1.00 44.21 C ATOM 152 ND1 HIS A 10 -46.839 48.754 -15.132 1.00 64.11 N ATOM 153 CD2 HIS A 10 -47.397 48.646 -17.229 1.00 21.12 C ATOM 154 CE1 HIS A 10 -46.050 49.581 -15.785 1.00 61.22 C ATOM 155 NE2 HIS A 10 -46.366 49.533 -17.062 1.00 13.14 N ATOM 0 H HIS A 10 -50.895 48.284 -13.942 1.00 31.23 H new ATOM 0 HA HIS A 10 -50.323 47.903 -16.814 1.00 65.10 H new ATOM 0 HB2 HIS A 10 -48.571 46.873 -14.542 1.00 73.03 H new ATOM 0 HB3 HIS A 10 -48.552 46.199 -16.159 1.00 73.03 H new ATOM 0 HD2 HIS A 10 -47.877 48.393 -18.163 1.00 21.12 H new ATOM 0 HE1 HIS A 10 -45.276 50.194 -15.348 1.00 61.22 H new ATOM 0 HE2 HIS A 10 -45.917 50.068 -17.805 1.00 13.14 H new ATOM 164 N MET A 11 -51.951 45.965 -16.554 1.00 11.33 N ATOM 165 CA MET A 11 -52.897 44.830 -16.456 1.00 4.13 C ATOM 166 C MET A 11 -52.663 43.830 -17.618 1.00 21.02 C ATOM 167 O MET A 11 -53.259 43.985 -18.690 1.00 3.11 O ATOM 168 CB MET A 11 -54.373 45.343 -16.457 1.00 10.41 C ATOM 169 CG MET A 11 -54.737 46.282 -15.295 1.00 34.34 C ATOM 170 SD MET A 11 -56.474 46.795 -15.333 1.00 61.14 S ATOM 171 CE MET A 11 -57.356 45.243 -15.130 1.00 44.51 C ATOM 0 H MET A 11 -51.962 46.429 -17.462 1.00 11.33 H new ATOM 0 HA MET A 11 -52.718 44.311 -15.514 1.00 4.13 H new ATOM 0 HB2 MET A 11 -54.560 45.863 -17.396 1.00 10.41 H new ATOM 0 HB3 MET A 11 -55.041 44.482 -16.431 1.00 10.41 H new ATOM 0 HG2 MET A 11 -54.530 45.781 -14.349 1.00 34.34 H new ATOM 0 HG3 MET A 11 -54.100 47.166 -15.333 1.00 34.34 H new ATOM 0 HE1 MET A 11 -58.391 45.446 -14.855 1.00 44.51 H new ATOM 0 HE2 MET A 11 -57.332 44.686 -16.067 1.00 44.51 H new ATOM 0 HE3 MET A 11 -56.881 44.654 -14.345 1.00 44.51 H new ATOM 181 N PRO A 12 -51.738 42.826 -17.455 1.00 60.22 N ATOM 182 CA PRO A 12 -51.582 41.713 -18.429 1.00 3.12 C ATOM 183 C PRO A 12 -52.755 40.699 -18.323 1.00 15.44 C ATOM 184 O PRO A 12 -52.863 39.966 -17.334 1.00 75.54 O ATOM 185 CB PRO A 12 -50.199 41.079 -18.041 1.00 35.35 C ATOM 186 CG PRO A 12 -49.579 42.037 -17.052 1.00 52.12 C ATOM 187 CD PRO A 12 -50.741 42.714 -16.362 1.00 52.50 C ATOM 0 HA PRO A 12 -51.605 42.043 -19.468 1.00 3.12 H new ATOM 0 HB2 PRO A 12 -50.330 40.091 -17.600 1.00 35.35 H new ATOM 0 HB3 PRO A 12 -49.564 40.955 -18.918 1.00 35.35 H new ATOM 0 HG2 PRO A 12 -48.951 41.509 -16.335 1.00 52.12 H new ATOM 0 HG3 PRO A 12 -48.944 42.765 -17.556 1.00 52.12 H new ATOM 0 HD2 PRO A 12 -51.118 42.123 -15.527 1.00 52.50 H new ATOM 0 HD3 PRO A 12 -50.464 43.690 -15.963 1.00 52.50 H new ATOM 195 N ASN A 13 -53.646 40.702 -19.337 1.00 71.24 N ATOM 196 CA ASN A 13 -54.836 39.817 -19.385 1.00 42.43 C ATOM 197 C ASN A 13 -54.508 38.506 -20.109 1.00 24.21 C ATOM 198 O ASN A 13 -53.880 38.524 -21.173 1.00 52.04 O ATOM 199 CB ASN A 13 -56.016 40.534 -20.099 1.00 44.40 C ATOM 200 CG ASN A 13 -57.250 39.640 -20.314 1.00 32.43 C ATOM 201 OD1 ASN A 13 -57.411 39.009 -21.366 1.00 65.20 O ATOM 202 ND2 ASN A 13 -58.112 39.552 -19.314 1.00 32.11 N ATOM 0 H ASN A 13 -53.563 41.317 -20.147 1.00 71.24 H new ATOM 0 HA ASN A 13 -55.129 39.586 -18.361 1.00 42.43 H new ATOM 0 HB2 ASN A 13 -56.308 41.405 -19.512 1.00 44.40 H new ATOM 0 HB3 ASN A 13 -55.673 40.902 -21.066 1.00 44.40 H new ATOM 0 HD21 ASN A 13 -58.933 38.953 -19.400 1.00 32.11 H new ATOM 0 HD22 ASN A 13 -57.955 40.083 -18.457 1.00 32.11 H new ATOM 209 N GLY A 14 -54.960 37.384 -19.529 1.00 52.53 N ATOM 210 CA GLY A 14 -54.844 36.065 -20.149 1.00 11.32 C ATOM 211 C GLY A 14 -53.473 35.430 -19.979 1.00 40.04 C ATOM 212 O GLY A 14 -52.601 35.964 -19.275 1.00 61.31 O ATOM 0 H GLY A 14 -55.416 37.371 -18.617 1.00 52.53 H new ATOM 0 HA2 GLY A 14 -55.597 35.404 -19.720 1.00 11.32 H new ATOM 0 HA3 GLY A 14 -55.065 36.152 -21.213 1.00 11.32 H new ATOM 216 N LYS A 15 -53.308 34.269 -20.629 1.00 54.11 N ATOM 217 CA LYS A 15 -52.067 33.479 -20.619 1.00 33.34 C ATOM 218 C LYS A 15 -52.109 32.483 -21.785 1.00 45.23 C ATOM 219 O LYS A 15 -53.189 32.107 -22.243 1.00 3.11 O ATOM 220 CB LYS A 15 -51.871 32.766 -19.234 1.00 13.33 C ATOM 221 CG LYS A 15 -53.050 31.856 -18.763 1.00 13.52 C ATOM 222 CD LYS A 15 -52.967 30.398 -19.287 1.00 21.24 C ATOM 223 CE LYS A 15 -54.243 29.587 -18.992 1.00 24.33 C ATOM 224 NZ LYS A 15 -54.592 29.561 -17.542 1.00 22.20 N ATOM 0 H LYS A 15 -54.048 33.844 -21.188 1.00 54.11 H new ATOM 0 HA LYS A 15 -51.205 34.133 -20.752 1.00 33.34 H new ATOM 0 HB2 LYS A 15 -50.967 32.159 -19.284 1.00 13.33 H new ATOM 0 HB3 LYS A 15 -51.701 33.529 -18.475 1.00 13.33 H new ATOM 0 HG2 LYS A 15 -53.070 31.839 -17.673 1.00 13.52 H new ATOM 0 HG3 LYS A 15 -53.991 32.297 -19.093 1.00 13.52 H new ATOM 0 HD2 LYS A 15 -52.791 30.412 -20.363 1.00 21.24 H new ATOM 0 HD3 LYS A 15 -52.111 29.900 -18.831 1.00 21.24 H new ATOM 0 HE2 LYS A 15 -55.075 30.012 -19.553 1.00 24.33 H new ATOM 0 HE3 LYS A 15 -54.108 28.565 -19.346 1.00 24.33 H new ATOM 0 HZ1 LYS A 15 -55.418 28.947 -17.395 1.00 22.20 H new ATOM 0 HZ2 LYS A 15 -53.786 29.193 -16.997 1.00 22.20 H new ATOM 0 HZ3 LYS A 15 -54.816 30.525 -17.221 1.00 22.20 H new ATOM 238 N LEU A 16 -50.936 32.076 -22.278 1.00 53.23 N ATOM 239 CA LEU A 16 -50.815 31.044 -23.337 1.00 0.12 C ATOM 240 C LEU A 16 -50.249 29.753 -22.725 1.00 15.13 C ATOM 241 O LEU A 16 -50.154 29.629 -21.500 1.00 61.12 O ATOM 242 CB LEU A 16 -49.935 31.554 -24.519 1.00 11.23 C ATOM 243 CG LEU A 16 -50.555 32.670 -25.432 1.00 45.22 C ATOM 244 CD1 LEU A 16 -51.959 32.271 -25.948 1.00 63.15 C ATOM 245 CD2 LEU A 16 -50.581 34.042 -24.734 1.00 21.23 C ATOM 0 H LEU A 16 -50.039 32.446 -21.962 1.00 53.23 H new ATOM 0 HA LEU A 16 -51.802 30.832 -23.748 1.00 0.12 H new ATOM 0 HB2 LEU A 16 -48.999 31.933 -24.107 1.00 11.23 H new ATOM 0 HB3 LEU A 16 -49.684 30.700 -25.149 1.00 11.23 H new ATOM 0 HG LEU A 16 -49.902 32.766 -26.299 1.00 45.22 H new ATOM 0 HD11 LEU A 16 -52.356 33.068 -26.576 1.00 63.15 H new ATOM 0 HD12 LEU A 16 -51.885 31.353 -26.530 1.00 63.15 H new ATOM 0 HD13 LEU A 16 -52.626 32.111 -25.101 1.00 63.15 H new ATOM 0 HD21 LEU A 16 -51.018 34.783 -25.404 1.00 21.23 H new ATOM 0 HD22 LEU A 16 -51.179 33.977 -23.825 1.00 21.23 H new ATOM 0 HD23 LEU A 16 -49.564 34.340 -24.478 1.00 21.23 H new ATOM 257 N LYS A 17 -49.922 28.768 -23.581 1.00 21.53 N ATOM 258 CA LYS A 17 -49.269 27.518 -23.154 1.00 71.13 C ATOM 259 C LYS A 17 -47.861 27.469 -23.772 1.00 23.41 C ATOM 260 O LYS A 17 -47.653 27.953 -24.896 1.00 22.40 O ATOM 261 CB LYS A 17 -50.096 26.257 -23.563 1.00 64.21 C ATOM 262 CG LYS A 17 -51.602 26.270 -23.147 1.00 12.42 C ATOM 263 CD LYS A 17 -52.527 26.971 -24.177 1.00 11.01 C ATOM 264 CE LYS A 17 -52.553 26.245 -25.535 1.00 5.21 C ATOM 265 NZ LYS A 17 -53.406 26.941 -26.530 1.00 54.01 N ATOM 0 H LYS A 17 -50.102 28.816 -24.584 1.00 21.53 H new ATOM 0 HA LYS A 17 -49.204 27.507 -22.066 1.00 71.13 H new ATOM 0 HB2 LYS A 17 -50.038 26.143 -24.645 1.00 64.21 H new ATOM 0 HB3 LYS A 17 -49.624 25.378 -23.124 1.00 64.21 H new ATOM 0 HG2 LYS A 17 -51.940 25.243 -23.008 1.00 12.42 H new ATOM 0 HG3 LYS A 17 -51.700 26.771 -22.184 1.00 12.42 H new ATOM 0 HD2 LYS A 17 -53.539 27.022 -23.776 1.00 11.01 H new ATOM 0 HD3 LYS A 17 -52.190 27.997 -24.324 1.00 11.01 H new ATOM 0 HE2 LYS A 17 -51.537 26.167 -25.922 1.00 5.21 H new ATOM 0 HE3 LYS A 17 -52.919 25.228 -25.394 1.00 5.21 H new ATOM 0 HZ1 LYS A 17 -53.392 26.415 -27.427 1.00 54.01 H new ATOM 0 HZ2 LYS A 17 -54.382 26.993 -26.175 1.00 54.01 H new ATOM 0 HZ3 LYS A 17 -53.043 27.903 -26.686 1.00 54.01 H new ATOM 279 N CYS A 18 -46.907 26.899 -23.030 1.00 23.23 N ATOM 280 CA CYS A 18 -45.498 26.790 -23.445 1.00 31.43 C ATOM 281 C CYS A 18 -45.044 25.320 -23.346 1.00 53.41 C ATOM 282 O CYS A 18 -44.415 24.903 -22.364 1.00 24.23 O ATOM 283 CB CYS A 18 -44.633 27.721 -22.560 1.00 32.24 C ATOM 284 SG CYS A 18 -44.821 27.415 -20.791 1.00 13.13 S ATOM 0 H CYS A 18 -47.090 26.494 -22.112 1.00 23.23 H new ATOM 0 HA CYS A 18 -45.381 27.105 -24.482 1.00 31.43 H new ATOM 0 HB2 CYS A 18 -43.585 27.597 -22.832 1.00 32.24 H new ATOM 0 HB3 CYS A 18 -44.897 28.757 -22.771 1.00 32.24 H new ATOM 0 HG CYS A 18 -44.742 26.138 -20.561 1.00 13.13 H new ATOM 290 N ASP A 19 -45.442 24.529 -24.350 1.00 53.23 N ATOM 291 CA ASP A 19 -45.123 23.093 -24.431 1.00 73.02 C ATOM 292 C ASP A 19 -43.712 22.887 -24.991 1.00 54.20 C ATOM 293 O ASP A 19 -43.395 23.350 -26.096 1.00 44.33 O ATOM 294 CB ASP A 19 -46.167 22.359 -25.314 1.00 43.45 C ATOM 295 CG ASP A 19 -47.533 22.245 -24.623 1.00 53.30 C ATOM 296 OD1 ASP A 19 -48.321 23.213 -24.665 1.00 53.44 O ATOM 297 OD2 ASP A 19 -47.816 21.189 -24.020 1.00 25.41 O ATOM 0 H ASP A 19 -45.998 24.867 -25.135 1.00 53.23 H new ATOM 0 HA ASP A 19 -45.159 22.673 -23.426 1.00 73.02 H new ATOM 0 HB2 ASP A 19 -46.282 22.893 -26.257 1.00 43.45 H new ATOM 0 HB3 ASP A 19 -45.799 21.362 -25.555 1.00 43.45 H new ATOM 302 N VAL A 20 -42.879 22.185 -24.211 1.00 52.24 N ATOM 303 CA VAL A 20 -41.502 21.834 -24.585 1.00 3.24 C ATOM 304 C VAL A 20 -41.122 20.502 -23.890 1.00 25.42 C ATOM 305 O VAL A 20 -40.975 20.435 -22.661 1.00 63.41 O ATOM 306 CB VAL A 20 -40.474 22.999 -24.260 1.00 4.14 C ATOM 307 CG1 VAL A 20 -40.598 23.506 -22.802 1.00 62.35 C ATOM 308 CG2 VAL A 20 -39.016 22.586 -24.609 1.00 22.11 C ATOM 0 H VAL A 20 -43.146 21.840 -23.289 1.00 52.24 H new ATOM 0 HA VAL A 20 -41.449 21.699 -25.665 1.00 3.24 H new ATOM 0 HB VAL A 20 -40.737 23.840 -24.901 1.00 4.14 H new ATOM 0 HG11 VAL A 20 -39.873 24.302 -22.631 1.00 62.35 H new ATOM 0 HG12 VAL A 20 -41.605 23.889 -22.634 1.00 62.35 H new ATOM 0 HG13 VAL A 20 -40.403 22.684 -22.113 1.00 62.35 H new ATOM 0 HG21 VAL A 20 -38.339 23.407 -24.374 1.00 22.11 H new ATOM 0 HG22 VAL A 20 -38.737 21.708 -24.027 1.00 22.11 H new ATOM 0 HG23 VAL A 20 -38.948 22.353 -25.672 1.00 22.11 H new ATOM 318 N CYS A 21 -41.033 19.427 -24.686 1.00 21.24 N ATOM 319 CA CYS A 21 -40.694 18.078 -24.203 1.00 2.14 C ATOM 320 C CYS A 21 -39.208 17.783 -24.469 1.00 13.20 C ATOM 321 O CYS A 21 -38.733 17.964 -25.592 1.00 30.52 O ATOM 322 CB CYS A 21 -41.589 17.040 -24.913 1.00 21.42 C ATOM 323 SG CYS A 21 -41.419 17.011 -26.717 1.00 1.35 S ATOM 0 H CYS A 21 -41.195 19.468 -25.692 1.00 21.24 H new ATOM 0 HA CYS A 21 -40.868 18.020 -23.129 1.00 2.14 H new ATOM 0 HB2 CYS A 21 -41.355 16.050 -24.523 1.00 21.42 H new ATOM 0 HB3 CYS A 21 -42.630 17.244 -24.662 1.00 21.42 H new ATOM 0 HG CYS A 21 -40.216 17.378 -27.045 1.00 1.35 H new ATOM 329 N GLY A 22 -38.481 17.325 -23.432 1.00 55.23 N ATOM 330 CA GLY A 22 -37.059 16.977 -23.552 1.00 33.45 C ATOM 331 C GLY A 22 -36.827 15.565 -24.094 1.00 32.32 C ATOM 332 O GLY A 22 -35.678 15.129 -24.227 1.00 60.03 O ATOM 0 H GLY A 22 -38.862 17.188 -22.496 1.00 55.23 H new ATOM 0 HA2 GLY A 22 -36.570 17.696 -24.209 1.00 33.45 H new ATOM 0 HA3 GLY A 22 -36.586 17.066 -22.574 1.00 33.45 H new ATOM 336 N MET A 23 -37.931 14.853 -24.418 1.00 74.32 N ATOM 337 CA MET A 23 -37.902 13.486 -24.993 1.00 30.43 C ATOM 338 C MET A 23 -37.517 13.488 -26.495 1.00 62.12 C ATOM 339 O MET A 23 -37.540 12.439 -27.151 1.00 32.04 O ATOM 340 CB MET A 23 -39.285 12.806 -24.792 1.00 54.24 C ATOM 341 CG MET A 23 -40.442 13.480 -25.549 1.00 35.54 C ATOM 342 SD MET A 23 -42.029 12.655 -25.294 1.00 11.34 S ATOM 343 CE MET A 23 -43.106 13.616 -26.357 1.00 54.15 C ATOM 0 H MET A 23 -38.876 15.214 -24.287 1.00 74.32 H new ATOM 0 HA MET A 23 -37.132 12.921 -24.467 1.00 30.43 H new ATOM 0 HB2 MET A 23 -39.215 11.766 -25.112 1.00 54.24 H new ATOM 0 HB3 MET A 23 -39.520 12.797 -23.728 1.00 54.24 H new ATOM 0 HG2 MET A 23 -40.523 14.518 -25.228 1.00 35.54 H new ATOM 0 HG3 MET A 23 -40.213 13.493 -26.615 1.00 35.54 H new ATOM 0 HE1 MET A 23 -44.120 13.220 -26.301 1.00 54.15 H new ATOM 0 HE2 MET A 23 -43.104 14.656 -26.032 1.00 54.15 H new ATOM 0 HE3 MET A 23 -42.750 13.556 -27.385 1.00 54.15 H new ATOM 353 N VAL A 24 -37.174 14.683 -27.024 1.00 12.31 N ATOM 354 CA VAL A 24 -36.681 14.867 -28.404 1.00 42.11 C ATOM 355 C VAL A 24 -35.395 14.050 -28.673 1.00 72.21 C ATOM 356 O VAL A 24 -35.101 13.692 -29.817 1.00 51.12 O ATOM 357 CB VAL A 24 -36.428 16.391 -28.712 1.00 4.44 C ATOM 358 CG1 VAL A 24 -37.733 17.208 -28.601 1.00 73.01 C ATOM 359 CG2 VAL A 24 -35.333 16.985 -27.797 1.00 45.11 C ATOM 0 H VAL A 24 -37.233 15.555 -26.498 1.00 12.31 H new ATOM 0 HA VAL A 24 -37.458 14.495 -29.071 1.00 42.11 H new ATOM 0 HB VAL A 24 -36.072 16.455 -29.740 1.00 4.44 H new ATOM 0 HG11 VAL A 24 -37.526 18.256 -28.819 1.00 73.01 H new ATOM 0 HG12 VAL A 24 -38.463 16.826 -29.315 1.00 73.01 H new ATOM 0 HG13 VAL A 24 -38.133 17.120 -27.591 1.00 73.01 H new ATOM 0 HG21 VAL A 24 -35.187 18.038 -28.040 1.00 45.11 H new ATOM 0 HG22 VAL A 24 -35.640 16.892 -26.755 1.00 45.11 H new ATOM 0 HG23 VAL A 24 -34.399 16.445 -27.950 1.00 45.11 H new ATOM 369 N CYS A 25 -34.637 13.773 -27.603 1.00 40.32 N ATOM 370 CA CYS A 25 -33.445 12.925 -27.645 1.00 41.03 C ATOM 371 C CYS A 25 -33.719 11.663 -26.820 1.00 64.55 C ATOM 372 O CYS A 25 -33.962 11.752 -25.614 1.00 13.53 O ATOM 373 CB CYS A 25 -32.239 13.709 -27.088 1.00 35.03 C ATOM 374 SG CYS A 25 -31.959 15.283 -27.920 1.00 34.41 S ATOM 0 H CYS A 25 -34.840 14.138 -26.673 1.00 40.32 H new ATOM 0 HA CYS A 25 -33.212 12.634 -28.669 1.00 41.03 H new ATOM 0 HB2 CYS A 25 -32.394 13.892 -26.025 1.00 35.03 H new ATOM 0 HB3 CYS A 25 -31.343 13.095 -27.179 1.00 35.03 H new ATOM 0 HG CYS A 25 -30.931 15.877 -27.390 1.00 34.41 H new ATOM 380 N ILE A 26 -33.740 10.502 -27.486 1.00 31.40 N ATOM 381 CA ILE A 26 -33.926 9.187 -26.833 1.00 50.33 C ATOM 382 C ILE A 26 -32.669 8.318 -27.045 1.00 33.22 C ATOM 383 O ILE A 26 -31.803 8.651 -27.869 1.00 4.02 O ATOM 384 CB ILE A 26 -35.215 8.445 -27.380 1.00 62.40 C ATOM 385 CG1 ILE A 26 -35.124 8.217 -28.926 1.00 41.24 C ATOM 386 CG2 ILE A 26 -36.510 9.215 -27.006 1.00 4.41 C ATOM 387 CD1 ILE A 26 -36.291 7.454 -29.551 1.00 63.51 C ATOM 0 H ILE A 26 -33.628 10.441 -28.498 1.00 31.40 H new ATOM 0 HA ILE A 26 -34.073 9.352 -25.766 1.00 50.33 H new ATOM 0 HB ILE A 26 -35.260 7.467 -26.900 1.00 62.40 H new ATOM 0 HG12 ILE A 26 -35.045 9.188 -29.414 1.00 41.24 H new ATOM 0 HG13 ILE A 26 -34.203 7.676 -29.142 1.00 41.24 H new ATOM 0 HG21 ILE A 26 -37.376 8.681 -27.395 1.00 4.41 H new ATOM 0 HG22 ILE A 26 -36.588 9.291 -25.921 1.00 4.41 H new ATOM 0 HG23 ILE A 26 -36.476 10.215 -27.438 1.00 4.41 H new ATOM 0 HD11 ILE A 26 -36.126 7.352 -30.624 1.00 63.51 H new ATOM 0 HD12 ILE A 26 -36.362 6.464 -29.099 1.00 63.51 H new ATOM 0 HD13 ILE A 26 -37.218 8.000 -29.376 1.00 63.51 H new ATOM 399 N GLY A 27 -32.579 7.212 -26.296 1.00 54.30 N ATOM 400 CA GLY A 27 -31.480 6.256 -26.409 1.00 50.22 C ATOM 401 C GLY A 27 -32.001 4.831 -26.227 1.00 11.30 C ATOM 402 O GLY A 27 -32.435 4.498 -25.124 1.00 33.13 O ATOM 0 H GLY A 27 -33.272 6.957 -25.592 1.00 54.30 H new ATOM 0 HA2 GLY A 27 -31.001 6.354 -27.383 1.00 50.22 H new ATOM 0 HA3 GLY A 27 -30.721 6.473 -25.657 1.00 50.22 H new ATOM 406 N PRO A 28 -32.020 3.964 -27.293 1.00 23.11 N ATOM 407 CA PRO A 28 -32.503 2.566 -27.180 1.00 14.32 C ATOM 408 C PRO A 28 -31.617 1.713 -26.242 1.00 42.11 C ATOM 409 O PRO A 28 -30.380 1.741 -26.330 1.00 72.14 O ATOM 410 CB PRO A 28 -32.464 2.038 -28.645 1.00 35.02 C ATOM 411 CG PRO A 28 -32.384 3.269 -29.500 1.00 51.35 C ATOM 412 CD PRO A 28 -31.598 4.270 -28.682 1.00 32.40 C ATOM 0 HA PRO A 28 -33.498 2.510 -26.738 1.00 14.32 H new ATOM 0 HB2 PRO A 28 -31.604 1.388 -28.807 1.00 35.02 H new ATOM 0 HB3 PRO A 28 -33.354 1.453 -28.878 1.00 35.02 H new ATOM 0 HG2 PRO A 28 -31.888 3.059 -30.448 1.00 51.35 H new ATOM 0 HG3 PRO A 28 -33.378 3.649 -29.738 1.00 51.35 H new ATOM 0 HD2 PRO A 28 -30.523 4.146 -28.815 1.00 32.40 H new ATOM 0 HD3 PRO A 28 -31.837 5.296 -28.960 1.00 32.40 H new ATOM 420 N ASN A 29 -32.277 0.940 -25.363 1.00 12.03 N ATOM 421 CA ASN A 29 -31.632 0.088 -24.334 1.00 52.14 C ATOM 422 C ASN A 29 -30.882 -1.122 -24.966 1.00 71.24 C ATOM 423 O ASN A 29 -30.196 -1.870 -24.265 1.00 62.42 O ATOM 424 CB ASN A 29 -32.718 -0.372 -23.312 1.00 54.00 C ATOM 425 CG ASN A 29 -32.202 -1.268 -22.174 1.00 72.12 C ATOM 426 OD1 ASN A 29 -32.190 -2.493 -22.289 1.00 33.11 O ATOM 427 ND2 ASN A 29 -31.758 -0.673 -21.079 1.00 42.43 N ATOM 0 H ASN A 29 -33.295 0.885 -25.343 1.00 12.03 H new ATOM 0 HA ASN A 29 -30.872 0.670 -23.813 1.00 52.14 H new ATOM 0 HB2 ASN A 29 -33.182 0.512 -22.876 1.00 54.00 H new ATOM 0 HB3 ASN A 29 -33.499 -0.909 -23.851 1.00 54.00 H new ATOM 0 HD21 ASN A 29 -31.395 -1.232 -20.306 1.00 42.43 H new ATOM 0 HD22 ASN A 29 -31.778 0.344 -21.007 1.00 42.43 H new ATOM 434 N VAL A 30 -30.984 -1.265 -26.313 1.00 72.23 N ATOM 435 CA VAL A 30 -30.284 -2.302 -27.100 1.00 15.23 C ATOM 436 C VAL A 30 -28.764 -2.308 -26.811 1.00 34.24 C ATOM 437 O VAL A 30 -28.128 -3.359 -26.843 1.00 45.21 O ATOM 438 CB VAL A 30 -30.544 -2.116 -28.647 1.00 53.14 C ATOM 439 CG1 VAL A 30 -29.985 -0.774 -29.186 1.00 64.41 C ATOM 440 CG2 VAL A 30 -30.005 -3.319 -29.451 1.00 24.01 C ATOM 0 H VAL A 30 -31.564 -0.652 -26.886 1.00 72.23 H new ATOM 0 HA VAL A 30 -30.691 -3.265 -26.793 1.00 15.23 H new ATOM 0 HB VAL A 30 -31.625 -2.077 -28.784 1.00 53.14 H new ATOM 0 HG11 VAL A 30 -30.190 -0.697 -30.254 1.00 64.41 H new ATOM 0 HG12 VAL A 30 -30.463 0.055 -28.664 1.00 64.41 H new ATOM 0 HG13 VAL A 30 -28.908 -0.735 -29.020 1.00 64.41 H new ATOM 0 HG21 VAL A 30 -30.198 -3.163 -30.512 1.00 24.01 H new ATOM 0 HG22 VAL A 30 -28.932 -3.414 -29.288 1.00 24.01 H new ATOM 0 HG23 VAL A 30 -30.504 -4.230 -29.121 1.00 24.01 H new ATOM 450 N LEU A 31 -28.221 -1.120 -26.483 1.00 33.00 N ATOM 451 CA LEU A 31 -26.814 -0.950 -26.095 1.00 21.02 C ATOM 452 C LEU A 31 -26.514 -1.787 -24.830 1.00 63.22 C ATOM 453 O LEU A 31 -25.601 -2.605 -24.831 1.00 43.40 O ATOM 454 CB LEU A 31 -26.504 0.558 -25.860 1.00 40.24 C ATOM 455 CG LEU A 31 -26.819 1.517 -27.053 1.00 34.53 C ATOM 456 CD1 LEU A 31 -26.479 2.981 -26.710 1.00 24.32 C ATOM 457 CD2 LEU A 31 -26.102 1.061 -28.337 1.00 21.03 C ATOM 0 H LEU A 31 -28.752 -0.249 -26.481 1.00 33.00 H new ATOM 0 HA LEU A 31 -26.170 -1.305 -26.899 1.00 21.02 H new ATOM 0 HB2 LEU A 31 -27.070 0.894 -24.991 1.00 40.24 H new ATOM 0 HB3 LEU A 31 -25.448 0.657 -25.610 1.00 40.24 H new ATOM 0 HG LEU A 31 -27.892 1.469 -27.237 1.00 34.53 H new ATOM 0 HD11 LEU A 31 -26.711 3.618 -27.563 1.00 24.32 H new ATOM 0 HD12 LEU A 31 -27.067 3.299 -25.849 1.00 24.32 H new ATOM 0 HD13 LEU A 31 -25.418 3.063 -26.475 1.00 24.32 H new ATOM 0 HD21 LEU A 31 -26.340 1.747 -29.150 1.00 21.03 H new ATOM 0 HD22 LEU A 31 -25.025 1.056 -28.170 1.00 21.03 H new ATOM 0 HD23 LEU A 31 -26.433 0.057 -28.601 1.00 21.03 H new ATOM 469 N MET A 32 -27.358 -1.612 -23.789 1.00 31.43 N ATOM 470 CA MET A 32 -27.270 -2.367 -22.515 1.00 61.42 C ATOM 471 C MET A 32 -27.439 -3.886 -22.745 1.00 4.03 C ATOM 472 O MET A 32 -26.787 -4.694 -22.082 1.00 41.22 O ATOM 473 CB MET A 32 -28.354 -1.858 -21.526 1.00 61.30 C ATOM 474 CG MET A 32 -28.348 -2.523 -20.139 1.00 52.51 C ATOM 475 SD MET A 32 -26.807 -2.273 -19.237 1.00 32.45 S ATOM 476 CE MET A 32 -27.085 -3.266 -17.766 1.00 73.43 C ATOM 0 H MET A 32 -28.125 -0.939 -23.807 1.00 31.43 H new ATOM 0 HA MET A 32 -26.280 -2.200 -22.091 1.00 61.42 H new ATOM 0 HB2 MET A 32 -28.226 -0.783 -21.395 1.00 61.30 H new ATOM 0 HB3 MET A 32 -29.334 -2.010 -21.978 1.00 61.30 H new ATOM 0 HG2 MET A 32 -29.175 -2.126 -19.550 1.00 52.51 H new ATOM 0 HG3 MET A 32 -28.524 -3.592 -20.255 1.00 52.51 H new ATOM 0 HE1 MET A 32 -26.212 -3.205 -17.116 1.00 73.43 H new ATOM 0 HE2 MET A 32 -27.960 -2.892 -17.235 1.00 73.43 H new ATOM 0 HE3 MET A 32 -27.251 -4.304 -18.054 1.00 73.43 H new ATOM 486 N VAL A 33 -28.313 -4.246 -23.714 1.00 21.14 N ATOM 487 CA VAL A 33 -28.573 -5.653 -24.105 1.00 42.34 C ATOM 488 C VAL A 33 -27.299 -6.297 -24.712 1.00 33.14 C ATOM 489 O VAL A 33 -27.007 -7.479 -24.468 1.00 52.12 O ATOM 490 CB VAL A 33 -29.772 -5.747 -25.126 1.00 70.00 C ATOM 491 CG1 VAL A 33 -30.046 -7.203 -25.547 1.00 31.13 C ATOM 492 CG2 VAL A 33 -31.058 -5.104 -24.552 1.00 30.33 C ATOM 0 H VAL A 33 -28.858 -3.569 -24.248 1.00 21.14 H new ATOM 0 HA VAL A 33 -28.848 -6.203 -23.205 1.00 42.34 H new ATOM 0 HB VAL A 33 -29.476 -5.187 -26.013 1.00 70.00 H new ATOM 0 HG11 VAL A 33 -30.878 -7.228 -26.250 1.00 31.13 H new ATOM 0 HG12 VAL A 33 -29.157 -7.618 -26.022 1.00 31.13 H new ATOM 0 HG13 VAL A 33 -30.297 -7.795 -24.667 1.00 31.13 H new ATOM 0 HG21 VAL A 33 -31.863 -5.187 -25.282 1.00 30.33 H new ATOM 0 HG22 VAL A 33 -31.345 -5.620 -23.635 1.00 30.33 H new ATOM 0 HG23 VAL A 33 -30.873 -4.052 -24.334 1.00 30.33 H new ATOM 502 N HIS A 34 -26.550 -5.489 -25.494 1.00 45.14 N ATOM 503 CA HIS A 34 -25.256 -5.898 -26.082 1.00 44.51 C ATOM 504 C HIS A 34 -24.238 -6.200 -24.972 1.00 51.44 C ATOM 505 O HIS A 34 -23.589 -7.234 -25.010 1.00 24.11 O ATOM 506 CB HIS A 34 -24.695 -4.822 -27.062 1.00 63.34 C ATOM 507 CG HIS A 34 -25.297 -4.851 -28.442 1.00 1.41 C ATOM 508 ND1 HIS A 34 -24.538 -4.775 -29.586 1.00 74.25 N ATOM 509 CD2 HIS A 34 -26.576 -4.928 -28.858 1.00 21.51 C ATOM 510 CE1 HIS A 34 -25.325 -4.802 -30.638 1.00 24.22 C ATOM 511 NE2 HIS A 34 -26.567 -4.896 -30.226 1.00 71.52 N ATOM 0 H HIS A 34 -26.825 -4.537 -25.735 1.00 45.14 H new ATOM 0 HA HIS A 34 -25.430 -6.805 -26.661 1.00 44.51 H new ATOM 0 HB2 HIS A 34 -24.860 -3.835 -26.629 1.00 63.34 H new ATOM 0 HB3 HIS A 34 -23.617 -4.956 -27.148 1.00 63.34 H new ATOM 0 HD2 HIS A 34 -27.449 -5.002 -28.227 1.00 21.51 H new ATOM 0 HE1 HIS A 34 -25.004 -4.755 -31.668 1.00 24.22 H new ATOM 0 HE2 HIS A 34 -27.390 -4.938 -30.827 1.00 71.52 H new ATOM 520 N LYS A 35 -24.158 -5.301 -23.961 1.00 12.40 N ATOM 521 CA LYS A 35 -23.229 -5.448 -22.806 1.00 23.25 C ATOM 522 C LYS A 35 -23.668 -6.588 -21.860 1.00 24.42 C ATOM 523 O LYS A 35 -22.829 -7.170 -21.158 1.00 71.31 O ATOM 524 CB LYS A 35 -23.092 -4.112 -22.013 1.00 24.02 C ATOM 525 CG LYS A 35 -22.151 -3.044 -22.635 1.00 14.34 C ATOM 526 CD LYS A 35 -22.669 -2.470 -23.969 1.00 51.03 C ATOM 527 CE LYS A 35 -21.825 -1.301 -24.497 1.00 63.31 C ATOM 528 NZ LYS A 35 -21.864 -0.125 -23.585 1.00 71.12 N ATOM 0 H LYS A 35 -24.730 -4.458 -23.920 1.00 12.40 H new ATOM 0 HA LYS A 35 -22.253 -5.707 -23.217 1.00 23.25 H new ATOM 0 HB2 LYS A 35 -24.084 -3.674 -21.904 1.00 24.02 H new ATOM 0 HB3 LYS A 35 -22.734 -4.343 -21.010 1.00 24.02 H new ATOM 0 HG2 LYS A 35 -22.020 -2.228 -21.924 1.00 14.34 H new ATOM 0 HG3 LYS A 35 -21.168 -3.487 -22.796 1.00 14.34 H new ATOM 0 HD2 LYS A 35 -22.685 -3.264 -24.716 1.00 51.03 H new ATOM 0 HD3 LYS A 35 -23.698 -2.135 -23.837 1.00 51.03 H new ATOM 0 HE2 LYS A 35 -20.793 -1.628 -24.623 1.00 63.31 H new ATOM 0 HE3 LYS A 35 -22.189 -1.008 -25.482 1.00 63.31 H new ATOM 0 HZ1 LYS A 35 -21.426 0.693 -24.054 1.00 71.12 H new ATOM 0 HZ2 LYS A 35 -22.852 0.099 -23.350 1.00 71.12 H new ATOM 0 HZ3 LYS A 35 -21.342 -0.345 -22.713 1.00 71.12 H new ATOM 542 N ARG A 36 -24.985 -6.874 -21.837 1.00 65.05 N ATOM 543 CA ARG A 36 -25.564 -7.993 -21.067 1.00 40.43 C ATOM 544 C ARG A 36 -25.052 -9.332 -21.619 1.00 32.31 C ATOM 545 O ARG A 36 -24.773 -10.278 -20.868 1.00 4.33 O ATOM 546 CB ARG A 36 -27.124 -7.933 -21.116 1.00 40.14 C ATOM 547 CG ARG A 36 -27.877 -9.072 -20.372 1.00 45.52 C ATOM 548 CD ARG A 36 -27.709 -9.045 -18.835 1.00 12.23 C ATOM 549 NE ARG A 36 -26.366 -9.470 -18.400 1.00 13.03 N ATOM 550 CZ ARG A 36 -25.715 -9.018 -17.312 1.00 55.03 C ATOM 551 NH1 ARG A 36 -26.268 -8.114 -16.500 1.00 73.44 N ATOM 552 NH2 ARG A 36 -24.504 -9.477 -17.045 1.00 12.30 N ATOM 0 H ARG A 36 -25.679 -6.334 -22.353 1.00 65.05 H new ATOM 0 HA ARG A 36 -25.252 -7.907 -20.026 1.00 40.43 H new ATOM 0 HB2 ARG A 36 -27.444 -6.979 -20.696 1.00 40.14 H new ATOM 0 HB3 ARG A 36 -27.435 -7.942 -22.161 1.00 40.14 H new ATOM 0 HG2 ARG A 36 -28.938 -9.007 -20.611 1.00 45.52 H new ATOM 0 HG3 ARG A 36 -27.523 -10.032 -20.748 1.00 45.52 H new ATOM 0 HD2 ARG A 36 -27.902 -8.036 -18.471 1.00 12.23 H new ATOM 0 HD3 ARG A 36 -28.456 -9.696 -18.381 1.00 12.23 H new ATOM 0 HE ARG A 36 -25.889 -10.166 -18.973 1.00 13.03 H new ATOM 0 HH11 ARG A 36 -27.201 -7.753 -16.699 1.00 73.44 H new ATOM 0 HH12 ARG A 36 -25.758 -7.785 -15.681 1.00 73.44 H new ATOM 0 HH21 ARG A 36 -24.073 -10.166 -17.661 1.00 12.30 H new ATOM 0 HH22 ARG A 36 -24.001 -9.142 -16.223 1.00 12.30 H new ATOM 566 N SER A 37 -24.928 -9.389 -22.950 1.00 2.42 N ATOM 567 CA SER A 37 -24.370 -10.543 -23.657 1.00 72.00 C ATOM 568 C SER A 37 -22.822 -10.509 -23.624 1.00 2.13 C ATOM 569 O SER A 37 -22.167 -11.551 -23.491 1.00 35.42 O ATOM 570 CB SER A 37 -24.887 -10.531 -25.103 1.00 43.41 C ATOM 571 OG SER A 37 -26.307 -10.510 -25.142 1.00 61.35 O ATOM 0 H SER A 37 -25.214 -8.630 -23.569 1.00 2.42 H new ATOM 0 HA SER A 37 -24.687 -11.463 -23.165 1.00 72.00 H new ATOM 0 HB2 SER A 37 -24.494 -9.659 -25.625 1.00 43.41 H new ATOM 0 HB3 SER A 37 -24.519 -11.411 -25.631 1.00 43.41 H new ATOM 0 HG SER A 37 -26.627 -9.609 -24.927 1.00 61.35 H new ATOM 577 N HIS A 38 -22.263 -9.284 -23.706 1.00 41.52 N ATOM 578 CA HIS A 38 -20.811 -9.046 -23.797 1.00 71.24 C ATOM 579 C HIS A 38 -20.159 -9.232 -22.414 1.00 53.00 C ATOM 580 O HIS A 38 -20.055 -8.296 -21.621 1.00 1.42 O ATOM 581 CB HIS A 38 -20.537 -7.632 -24.376 1.00 53.45 C ATOM 582 CG HIS A 38 -19.085 -7.294 -24.561 1.00 2.32 C ATOM 583 ND1 HIS A 38 -18.423 -6.389 -23.767 1.00 41.33 N ATOM 584 CD2 HIS A 38 -18.175 -7.728 -25.469 1.00 50.20 C ATOM 585 CE1 HIS A 38 -17.182 -6.279 -24.177 1.00 13.11 C ATOM 586 NE2 HIS A 38 -17.003 -7.079 -25.206 1.00 4.12 N ATOM 0 H HIS A 38 -22.814 -8.425 -23.711 1.00 41.52 H new ATOM 0 HA HIS A 38 -20.365 -9.773 -24.476 1.00 71.24 H new ATOM 0 HB2 HIS A 38 -21.040 -7.546 -25.339 1.00 53.45 H new ATOM 0 HB3 HIS A 38 -20.986 -6.891 -23.714 1.00 53.45 H new ATOM 0 HD2 HIS A 38 -18.346 -8.451 -26.253 1.00 50.20 H new ATOM 0 HE1 HIS A 38 -16.431 -5.637 -23.741 1.00 13.11 H new ATOM 0 HE2 HIS A 38 -16.131 -7.195 -25.723 1.00 4.12 H new ATOM 595 N THR A 39 -19.779 -10.478 -22.137 1.00 43.53 N ATOM 596 CA THR A 39 -19.175 -10.889 -20.863 1.00 32.30 C ATOM 597 C THR A 39 -18.338 -12.166 -21.079 1.00 74.32 C ATOM 598 O THR A 39 -18.408 -12.784 -22.150 1.00 64.14 O ATOM 599 CB THR A 39 -20.302 -11.122 -19.793 1.00 33.43 C ATOM 600 OG1 THR A 39 -19.730 -11.314 -18.492 1.00 33.22 O ATOM 601 CG2 THR A 39 -21.209 -12.320 -20.148 1.00 62.14 C ATOM 0 H THR A 39 -19.882 -11.246 -22.800 1.00 43.53 H new ATOM 0 HA THR A 39 -18.515 -10.104 -20.495 1.00 32.30 H new ATOM 0 HB THR A 39 -20.924 -10.227 -19.789 1.00 33.43 H new ATOM 0 HG1 THR A 39 -20.446 -11.456 -17.838 1.00 33.22 H new ATOM 0 HG21 THR A 39 -21.972 -12.440 -19.378 1.00 62.14 H new ATOM 0 HG22 THR A 39 -21.689 -12.140 -21.110 1.00 62.14 H new ATOM 0 HG23 THR A 39 -20.607 -13.227 -20.207 1.00 62.14 H new ATOM 609 N GLY A 40 -17.553 -12.556 -20.064 1.00 64.13 N ATOM 610 CA GLY A 40 -16.678 -13.726 -20.162 1.00 10.41 C ATOM 611 C GLY A 40 -15.395 -13.427 -20.925 1.00 21.12 C ATOM 612 O GLY A 40 -14.871 -14.293 -21.630 1.00 31.23 O ATOM 0 H GLY A 40 -17.509 -12.075 -19.166 1.00 64.13 H new ATOM 0 HA2 GLY A 40 -16.429 -14.075 -19.160 1.00 10.41 H new ATOM 0 HA3 GLY A 40 -17.213 -14.536 -20.658 1.00 10.41 H new ATOM 616 N GLU A 41 -14.910 -12.174 -20.793 1.00 44.13 N ATOM 617 CA GLU A 41 -13.656 -11.716 -21.414 1.00 21.42 C ATOM 618 C GLU A 41 -12.477 -12.283 -20.609 1.00 21.23 C ATOM 619 O GLU A 41 -12.219 -11.854 -19.481 1.00 54.30 O ATOM 620 CB GLU A 41 -13.614 -10.169 -21.479 1.00 71.35 C ATOM 621 CG GLU A 41 -14.804 -9.557 -22.242 1.00 21.40 C ATOM 622 CD GLU A 41 -14.738 -8.031 -22.324 1.00 43.51 C ATOM 623 OE1 GLU A 41 -15.114 -7.357 -21.344 1.00 23.45 O ATOM 624 OE2 GLU A 41 -14.284 -7.501 -23.357 1.00 43.53 O ATOM 0 H GLU A 41 -15.382 -11.451 -20.250 1.00 44.13 H new ATOM 0 HA GLU A 41 -13.591 -12.078 -22.440 1.00 21.42 H new ATOM 0 HB2 GLU A 41 -13.598 -9.770 -20.465 1.00 71.35 H new ATOM 0 HB3 GLU A 41 -12.686 -9.858 -21.958 1.00 71.35 H new ATOM 0 HG2 GLU A 41 -14.833 -9.969 -23.251 1.00 21.40 H new ATOM 0 HG3 GLU A 41 -15.732 -9.850 -21.752 1.00 21.40 H new ATOM 631 N ARG A 42 -11.803 -13.272 -21.201 1.00 11.34 N ATOM 632 CA ARG A 42 -10.856 -14.153 -20.498 1.00 32.20 C ATOM 633 C ARG A 42 -9.477 -13.484 -20.325 1.00 12.20 C ATOM 634 O ARG A 42 -9.117 -12.616 -21.126 1.00 53.05 O ATOM 635 CB ARG A 42 -10.761 -15.476 -21.297 1.00 24.10 C ATOM 636 CG ARG A 42 -12.142 -16.149 -21.477 1.00 64.33 C ATOM 637 CD ARG A 42 -12.143 -17.289 -22.497 1.00 62.33 C ATOM 638 NE ARG A 42 -13.501 -17.812 -22.710 1.00 42.13 N ATOM 639 CZ ARG A 42 -13.830 -18.809 -23.546 1.00 35.34 C ATOM 640 NH1 ARG A 42 -12.897 -19.421 -24.282 1.00 21.51 N ATOM 641 NH2 ARG A 42 -15.096 -19.188 -23.639 1.00 31.43 N ATOM 0 H ARG A 42 -11.898 -13.489 -22.193 1.00 11.34 H new ATOM 0 HA ARG A 42 -11.213 -14.357 -19.489 1.00 32.20 H new ATOM 0 HB2 ARG A 42 -10.325 -15.277 -22.276 1.00 24.10 H new ATOM 0 HB3 ARG A 42 -10.088 -16.162 -20.782 1.00 24.10 H new ATOM 0 HG2 ARG A 42 -12.476 -16.535 -20.514 1.00 64.33 H new ATOM 0 HG3 ARG A 42 -12.866 -15.395 -21.787 1.00 64.33 H new ATOM 0 HD2 ARG A 42 -11.735 -16.934 -23.443 1.00 62.33 H new ATOM 0 HD3 ARG A 42 -11.492 -18.091 -22.150 1.00 62.33 H new ATOM 0 HE ARG A 42 -14.256 -17.381 -22.177 1.00 42.13 H new ATOM 0 HH11 ARG A 42 -11.921 -19.132 -24.212 1.00 21.51 H new ATOM 0 HH12 ARG A 42 -13.161 -20.177 -24.913 1.00 21.51 H new ATOM 0 HH21 ARG A 42 -15.810 -18.723 -23.078 1.00 31.43 H new ATOM 0 HH22 ARG A 42 -15.357 -19.945 -24.271 1.00 31.43 H new ATOM 655 N PRO A 43 -8.708 -13.833 -19.237 1.00 75.24 N ATOM 656 CA PRO A 43 -7.330 -13.343 -19.048 1.00 34.43 C ATOM 657 C PRO A 43 -6.399 -13.861 -20.159 1.00 35.44 C ATOM 658 O PRO A 43 -5.907 -14.996 -20.102 1.00 75.34 O ATOM 659 CB PRO A 43 -6.919 -13.880 -17.645 1.00 44.34 C ATOM 660 CG PRO A 43 -8.211 -14.251 -16.982 1.00 41.05 C ATOM 661 CD PRO A 43 -9.126 -14.694 -18.103 1.00 44.35 C ATOM 0 HA PRO A 43 -7.260 -12.257 -19.103 1.00 34.43 H new ATOM 0 HB2 PRO A 43 -6.257 -14.741 -17.730 1.00 44.34 H new ATOM 0 HB3 PRO A 43 -6.384 -13.122 -17.073 1.00 44.34 H new ATOM 0 HG2 PRO A 43 -8.064 -15.050 -16.256 1.00 41.05 H new ATOM 0 HG3 PRO A 43 -8.633 -13.403 -16.442 1.00 41.05 H new ATOM 0 HD2 PRO A 43 -9.000 -15.752 -18.332 1.00 44.35 H new ATOM 0 HD3 PRO A 43 -10.176 -14.546 -17.849 1.00 44.35 H new ATOM 669 N PHE A 44 -6.264 -13.055 -21.208 1.00 41.22 N ATOM 670 CA PHE A 44 -5.315 -13.301 -22.291 1.00 24.25 C ATOM 671 C PHE A 44 -3.883 -13.032 -21.792 1.00 32.22 C ATOM 672 O PHE A 44 -3.627 -12.041 -21.111 1.00 34.50 O ATOM 673 CB PHE A 44 -5.646 -12.407 -23.513 1.00 53.52 C ATOM 674 CG PHE A 44 -7.068 -12.569 -24.045 1.00 24.41 C ATOM 675 CD1 PHE A 44 -7.470 -13.763 -24.640 1.00 0.11 C ATOM 676 CD2 PHE A 44 -8.004 -11.541 -23.933 1.00 63.41 C ATOM 677 CE1 PHE A 44 -8.758 -13.921 -25.107 1.00 53.40 C ATOM 678 CE2 PHE A 44 -9.292 -11.700 -24.397 1.00 53.14 C ATOM 679 CZ PHE A 44 -9.670 -12.888 -24.986 1.00 3.25 C ATOM 0 H PHE A 44 -6.815 -12.205 -21.332 1.00 41.22 H new ATOM 0 HA PHE A 44 -5.390 -14.342 -22.604 1.00 24.25 H new ATOM 0 HB2 PHE A 44 -5.491 -11.364 -23.238 1.00 53.52 H new ATOM 0 HB3 PHE A 44 -4.943 -12.633 -24.315 1.00 53.52 H new ATOM 0 HD1 PHE A 44 -6.764 -14.575 -24.737 1.00 0.11 H new ATOM 0 HD2 PHE A 44 -7.715 -10.606 -23.476 1.00 63.41 H new ATOM 0 HE1 PHE A 44 -9.055 -14.852 -25.567 1.00 53.40 H new ATOM 0 HE2 PHE A 44 -10.005 -10.895 -24.299 1.00 53.14 H new ATOM 0 HZ PHE A 44 -10.678 -13.012 -25.353 1.00 3.25 H new ATOM 689 N HIS A 45 -2.961 -13.929 -22.123 1.00 11.30 N ATOM 690 CA HIS A 45 -1.570 -13.865 -21.665 1.00 2.22 C ATOM 691 C HIS A 45 -0.657 -13.937 -22.880 1.00 3.25 C ATOM 692 O HIS A 45 -0.861 -14.789 -23.752 1.00 50.40 O ATOM 693 CB HIS A 45 -1.271 -15.016 -20.679 1.00 52.33 C ATOM 694 CG HIS A 45 -2.067 -14.933 -19.398 1.00 43.10 C ATOM 695 ND1 HIS A 45 -1.856 -13.955 -18.451 1.00 1.23 N ATOM 696 CD2 HIS A 45 -3.108 -15.668 -18.936 1.00 11.52 C ATOM 697 CE1 HIS A 45 -2.726 -14.092 -17.472 1.00 12.31 C ATOM 698 NE2 HIS A 45 -3.501 -15.123 -17.738 1.00 21.31 N ATOM 0 H HIS A 45 -3.156 -14.731 -22.723 1.00 11.30 H new ATOM 0 HA HIS A 45 -1.396 -12.928 -21.135 1.00 2.22 H new ATOM 0 HB2 HIS A 45 -1.482 -15.967 -21.168 1.00 52.33 H new ATOM 0 HB3 HIS A 45 -0.208 -15.011 -20.438 1.00 52.33 H new ATOM 0 HD1 HIS A 45 -1.136 -13.235 -18.501 1.00 1.23 H new ATOM 0 HD2 HIS A 45 -3.548 -16.526 -19.422 1.00 11.52 H new ATOM 0 HE1 HIS A 45 -2.793 -13.463 -16.596 1.00 12.31 H new ATOM 707 N CYS A 46 0.325 -13.029 -22.933 1.00 13.32 N ATOM 708 CA CYS A 46 1.296 -12.929 -24.034 1.00 52.32 C ATOM 709 C CYS A 46 2.095 -14.231 -24.205 1.00 34.15 C ATOM 710 O CYS A 46 1.993 -14.916 -25.236 1.00 63.25 O ATOM 711 CB CYS A 46 2.254 -11.753 -23.725 1.00 43.41 C ATOM 712 SG CYS A 46 3.768 -11.689 -24.731 1.00 21.23 S ATOM 0 H CYS A 46 0.471 -12.332 -22.203 1.00 13.32 H new ATOM 0 HA CYS A 46 0.762 -12.756 -24.968 1.00 52.32 H new ATOM 0 HB2 CYS A 46 1.709 -10.819 -23.860 1.00 43.41 H new ATOM 0 HB3 CYS A 46 2.539 -11.806 -22.674 1.00 43.41 H new ATOM 717 N ASN A 47 2.862 -14.541 -23.157 1.00 75.11 N ATOM 718 CA ASN A 47 3.856 -15.635 -23.127 1.00 10.35 C ATOM 719 C ASN A 47 4.489 -15.645 -21.719 1.00 64.25 C ATOM 720 O ASN A 47 4.064 -14.887 -20.846 1.00 20.24 O ATOM 721 CB ASN A 47 4.931 -15.407 -24.242 1.00 72.25 C ATOM 722 CG ASN A 47 5.761 -16.642 -24.575 1.00 3.41 C ATOM 723 OD1 ASN A 47 6.847 -16.853 -24.030 1.00 23.31 O ATOM 724 ND2 ASN A 47 5.247 -17.478 -25.467 1.00 45.34 N ATOM 0 H ASN A 47 2.813 -14.028 -22.277 1.00 75.11 H new ATOM 0 HA ASN A 47 3.390 -16.600 -23.324 1.00 10.35 H new ATOM 0 HB2 ASN A 47 4.431 -15.065 -25.148 1.00 72.25 H new ATOM 0 HB3 ASN A 47 5.601 -14.607 -23.926 1.00 72.25 H new ATOM 0 HD21 ASN A 47 5.753 -18.326 -25.721 1.00 45.34 H new ATOM 0 HD22 ASN A 47 4.346 -17.273 -25.899 1.00 45.34 H new ATOM 731 N GLN A 48 5.527 -16.472 -21.492 1.00 44.22 N ATOM 732 CA GLN A 48 6.263 -16.498 -20.202 1.00 20.42 C ATOM 733 C GLN A 48 7.027 -15.169 -19.924 1.00 73.54 C ATOM 734 O GLN A 48 7.639 -15.006 -18.855 1.00 71.33 O ATOM 735 CB GLN A 48 7.210 -17.722 -20.178 1.00 72.41 C ATOM 736 CG GLN A 48 7.826 -18.076 -18.796 1.00 35.24 C ATOM 737 CD GLN A 48 8.669 -19.368 -18.782 1.00 24.32 C ATOM 738 OE1 GLN A 48 9.648 -19.478 -18.037 1.00 43.13 O ATOM 739 NE2 GLN A 48 8.280 -20.373 -19.559 1.00 22.34 N ATOM 0 H GLN A 48 5.880 -17.134 -22.183 1.00 44.22 H new ATOM 0 HA GLN A 48 5.537 -16.593 -19.395 1.00 20.42 H new ATOM 0 HB2 GLN A 48 6.660 -18.590 -20.542 1.00 72.41 H new ATOM 0 HB3 GLN A 48 8.023 -17.542 -20.881 1.00 72.41 H new ATOM 0 HG2 GLN A 48 8.452 -17.246 -18.468 1.00 35.24 H new ATOM 0 HG3 GLN A 48 7.021 -18.175 -18.068 1.00 35.24 H new ATOM 0 HE21 GLN A 48 7.469 -20.263 -20.167 1.00 22.34 H new ATOM 0 HE22 GLN A 48 8.792 -21.255 -19.547 1.00 22.34 H new ATOM 748 N CYS A 49 6.953 -14.198 -20.881 1.00 54.24 N ATOM 749 CA CYS A 49 7.527 -12.852 -20.724 1.00 54.35 C ATOM 750 C CYS A 49 6.792 -12.073 -19.596 1.00 23.24 C ATOM 751 O CYS A 49 7.312 -11.069 -19.088 1.00 62.10 O ATOM 752 CB CYS A 49 7.456 -12.090 -22.075 1.00 30.41 C ATOM 753 SG CYS A 49 5.784 -11.940 -22.793 1.00 3.03 S ATOM 0 H CYS A 49 6.491 -14.340 -21.779 1.00 54.24 H new ATOM 0 HA CYS A 49 8.574 -12.941 -20.434 1.00 54.35 H new ATOM 0 HB2 CYS A 49 7.864 -11.089 -21.932 1.00 30.41 H new ATOM 0 HB3 CYS A 49 8.099 -12.597 -22.794 1.00 30.41 H new ATOM 758 N GLY A 50 5.580 -12.552 -19.213 1.00 52.24 N ATOM 759 CA GLY A 50 4.863 -12.030 -18.045 1.00 14.44 C ATOM 760 C GLY A 50 3.987 -10.841 -18.396 1.00 31.55 C ATOM 761 O GLY A 50 4.383 -9.689 -18.193 1.00 60.22 O ATOM 0 H GLY A 50 5.088 -13.299 -19.703 1.00 52.24 H new ATOM 0 HA2 GLY A 50 4.246 -12.820 -17.616 1.00 14.44 H new ATOM 0 HA3 GLY A 50 5.582 -11.736 -17.280 1.00 14.44 H new ATOM 765 N ALA A 51 2.805 -11.123 -18.971 1.00 61.42 N ATOM 766 CA ALA A 51 1.808 -10.087 -19.320 1.00 54.13 C ATOM 767 C ALA A 51 0.380 -10.557 -19.017 1.00 31.11 C ATOM 768 O ALA A 51 0.094 -11.753 -18.995 1.00 40.43 O ATOM 769 CB ALA A 51 1.930 -9.703 -20.797 1.00 45.34 C ATOM 0 H ALA A 51 2.511 -12.071 -19.208 1.00 61.42 H new ATOM 0 HA ALA A 51 2.014 -9.211 -18.704 1.00 54.13 H new ATOM 0 HB1 ALA A 51 1.189 -8.940 -21.037 1.00 45.34 H new ATOM 0 HB2 ALA A 51 2.929 -9.312 -20.990 1.00 45.34 H new ATOM 0 HB3 ALA A 51 1.758 -10.583 -21.417 1.00 45.34 H new ATOM 775 N SER A 52 -0.503 -9.577 -18.798 1.00 13.52 N ATOM 776 CA SER A 52 -1.937 -9.787 -18.565 1.00 20.03 C ATOM 777 C SER A 52 -2.742 -8.809 -19.444 1.00 45.31 C ATOM 778 O SER A 52 -2.489 -7.597 -19.425 1.00 41.21 O ATOM 779 CB SER A 52 -2.273 -9.597 -17.061 1.00 53.00 C ATOM 780 OG SER A 52 -1.811 -8.352 -16.563 1.00 51.41 O ATOM 0 H SER A 52 -0.235 -8.593 -18.777 1.00 13.52 H new ATOM 0 HA SER A 52 -2.207 -10.807 -18.837 1.00 20.03 H new ATOM 0 HB2 SER A 52 -3.352 -9.665 -16.920 1.00 53.00 H new ATOM 0 HB3 SER A 52 -1.824 -10.406 -16.485 1.00 53.00 H new ATOM 0 HG SER A 52 -1.871 -7.675 -17.269 1.00 51.41 H new ATOM 786 N PHE A 53 -3.698 -9.358 -20.210 1.00 71.44 N ATOM 787 CA PHE A 53 -4.554 -8.613 -21.147 1.00 1.31 C ATOM 788 C PHE A 53 -5.993 -9.109 -20.973 1.00 42.33 C ATOM 789 O PHE A 53 -6.251 -10.300 -21.128 1.00 11.42 O ATOM 790 CB PHE A 53 -4.093 -8.835 -22.624 1.00 34.12 C ATOM 791 CG PHE A 53 -2.631 -8.470 -22.923 1.00 63.12 C ATOM 792 CD1 PHE A 53 -2.176 -7.161 -22.757 1.00 11.24 C ATOM 793 CD2 PHE A 53 -1.716 -9.431 -23.364 1.00 33.14 C ATOM 794 CE1 PHE A 53 -0.865 -6.824 -23.033 1.00 41.35 C ATOM 795 CE2 PHE A 53 -0.407 -9.091 -23.641 1.00 52.33 C ATOM 796 CZ PHE A 53 0.019 -7.787 -23.470 1.00 74.20 C ATOM 0 H PHE A 53 -3.902 -10.357 -20.195 1.00 71.44 H new ATOM 0 HA PHE A 53 -4.485 -7.546 -20.933 1.00 1.31 H new ATOM 0 HB2 PHE A 53 -4.247 -9.883 -22.881 1.00 34.12 H new ATOM 0 HB3 PHE A 53 -4.737 -8.248 -23.279 1.00 34.12 H new ATOM 0 HD1 PHE A 53 -2.859 -6.401 -22.408 1.00 11.24 H new ATOM 0 HD2 PHE A 53 -2.038 -10.454 -23.490 1.00 33.14 H new ATOM 0 HE1 PHE A 53 -0.532 -5.804 -22.906 1.00 41.35 H new ATOM 0 HE2 PHE A 53 0.284 -9.843 -23.991 1.00 52.33 H new ATOM 0 HZ PHE A 53 1.045 -7.523 -23.679 1.00 74.20 H new ATOM 806 N THR A 54 -6.926 -8.220 -20.619 1.00 51.43 N ATOM 807 CA THR A 54 -8.360 -8.585 -20.544 1.00 73.25 C ATOM 808 C THR A 54 -9.022 -8.496 -21.940 1.00 43.03 C ATOM 809 O THR A 54 -10.139 -8.985 -22.137 1.00 52.35 O ATOM 810 CB THR A 54 -9.122 -7.696 -19.495 1.00 62.53 C ATOM 811 OG1 THR A 54 -10.479 -8.156 -19.317 1.00 21.20 O ATOM 812 CG2 THR A 54 -9.127 -6.213 -19.884 1.00 32.13 C ATOM 0 H THR A 54 -6.726 -7.249 -20.380 1.00 51.43 H new ATOM 0 HA THR A 54 -8.426 -9.619 -20.205 1.00 73.25 H new ATOM 0 HB THR A 54 -8.581 -7.794 -18.554 1.00 62.53 H new ATOM 0 HG1 THR A 54 -10.744 -8.699 -20.089 1.00 21.20 H new ATOM 0 HG21 THR A 54 -9.665 -5.640 -19.128 1.00 32.13 H new ATOM 0 HG22 THR A 54 -8.101 -5.851 -19.951 1.00 32.13 H new ATOM 0 HG23 THR A 54 -9.618 -6.092 -20.849 1.00 32.13 H new ATOM 820 N GLN A 55 -8.300 -7.883 -22.912 1.00 20.44 N ATOM 821 CA GLN A 55 -8.810 -7.631 -24.273 1.00 63.45 C ATOM 822 C GLN A 55 -7.895 -8.270 -25.331 1.00 72.44 C ATOM 823 O GLN A 55 -6.664 -8.223 -25.211 1.00 42.24 O ATOM 824 CB GLN A 55 -8.945 -6.103 -24.524 1.00 71.35 C ATOM 825 CG GLN A 55 -9.864 -5.365 -23.520 1.00 54.40 C ATOM 826 CD GLN A 55 -11.289 -5.928 -23.457 1.00 22.52 C ATOM 827 OE1 GLN A 55 -11.826 -6.418 -24.451 1.00 61.04 O ATOM 828 NE2 GLN A 55 -11.916 -5.871 -22.287 1.00 74.41 N ATOM 0 H GLN A 55 -7.346 -7.551 -22.768 1.00 20.44 H new ATOM 0 HA GLN A 55 -9.796 -8.089 -24.357 1.00 63.45 H new ATOM 0 HB2 GLN A 55 -7.953 -5.653 -24.487 1.00 71.35 H new ATOM 0 HB3 GLN A 55 -9.329 -5.946 -25.532 1.00 71.35 H new ATOM 0 HG2 GLN A 55 -9.418 -5.418 -22.527 1.00 54.40 H new ATOM 0 HG3 GLN A 55 -9.911 -4.311 -23.792 1.00 54.40 H new ATOM 0 HE21 GLN A 55 -11.450 -5.460 -21.478 1.00 74.41 H new ATOM 0 HE22 GLN A 55 -12.863 -6.238 -22.198 1.00 74.41 H new ATOM 837 N LYS A 56 -8.534 -8.871 -26.354 1.00 32.32 N ATOM 838 CA LYS A 56 -7.851 -9.534 -27.484 1.00 32.44 C ATOM 839 C LYS A 56 -7.057 -8.525 -28.326 1.00 74.12 C ATOM 840 O LYS A 56 -6.035 -8.883 -28.875 1.00 71.44 O ATOM 841 CB LYS A 56 -8.880 -10.287 -28.377 1.00 65.31 C ATOM 842 CG LYS A 56 -9.905 -9.364 -29.066 1.00 24.31 C ATOM 843 CD LYS A 56 -10.859 -10.115 -30.019 1.00 1.21 C ATOM 844 CE LYS A 56 -11.841 -9.164 -30.722 1.00 74.10 C ATOM 845 NZ LYS A 56 -12.836 -9.894 -31.550 1.00 73.52 N ATOM 0 H LYS A 56 -9.551 -8.910 -26.420 1.00 32.32 H new ATOM 0 HA LYS A 56 -7.148 -10.256 -27.069 1.00 32.44 H new ATOM 0 HB2 LYS A 56 -8.341 -10.848 -29.140 1.00 65.31 H new ATOM 0 HB3 LYS A 56 -9.414 -11.013 -27.765 1.00 65.31 H new ATOM 0 HG2 LYS A 56 -10.493 -8.852 -28.304 1.00 24.31 H new ATOM 0 HG3 LYS A 56 -9.372 -8.596 -29.627 1.00 24.31 H new ATOM 0 HD2 LYS A 56 -10.275 -10.651 -30.768 1.00 1.21 H new ATOM 0 HD3 LYS A 56 -11.419 -10.862 -29.456 1.00 1.21 H new ATOM 0 HE2 LYS A 56 -12.362 -8.566 -29.975 1.00 74.10 H new ATOM 0 HE3 LYS A 56 -11.284 -8.471 -31.353 1.00 74.10 H new ATOM 0 HZ1 LYS A 56 -13.477 -9.212 -32.004 1.00 73.52 H new ATOM 0 HZ2 LYS A 56 -12.342 -10.445 -32.281 1.00 73.52 H new ATOM 0 HZ3 LYS A 56 -13.387 -10.536 -30.945 1.00 73.52 H new ATOM 859 N GLY A 57 -7.538 -7.265 -28.409 1.00 11.41 N ATOM 860 CA GLY A 57 -6.846 -6.214 -29.167 1.00 22.32 C ATOM 861 C GLY A 57 -5.420 -5.982 -28.667 1.00 54.53 C ATOM 862 O GLY A 57 -4.482 -5.839 -29.460 1.00 14.32 O ATOM 0 H GLY A 57 -8.401 -6.957 -27.960 1.00 11.41 H new ATOM 0 HA2 GLY A 57 -6.819 -6.488 -30.222 1.00 22.32 H new ATOM 0 HA3 GLY A 57 -7.410 -5.284 -29.093 1.00 22.32 H new ATOM 866 N ASN A 58 -5.275 -5.988 -27.331 1.00 31.14 N ATOM 867 CA ASN A 58 -3.982 -5.846 -26.649 1.00 50.21 C ATOM 868 C ASN A 58 -3.107 -7.096 -26.875 1.00 51.04 C ATOM 869 O ASN A 58 -1.901 -6.977 -27.085 1.00 22.24 O ATOM 870 CB ASN A 58 -4.193 -5.617 -25.129 1.00 12.03 C ATOM 871 CG ASN A 58 -5.014 -4.367 -24.806 1.00 3.04 C ATOM 872 OD1 ASN A 58 -6.239 -4.414 -24.771 1.00 14.43 O ATOM 873 ND2 ASN A 58 -4.360 -3.240 -24.567 1.00 22.21 N ATOM 0 H ASN A 58 -6.061 -6.093 -26.690 1.00 31.14 H new ATOM 0 HA ASN A 58 -3.470 -4.980 -27.069 1.00 50.21 H new ATOM 0 HB2 ASN A 58 -4.691 -6.489 -24.705 1.00 12.03 H new ATOM 0 HB3 ASN A 58 -3.220 -5.538 -24.643 1.00 12.03 H new ATOM 0 HD21 ASN A 58 -4.876 -2.388 -24.348 1.00 22.21 H new ATOM 0 HD22 ASN A 58 -3.341 -3.225 -24.602 1.00 22.21 H new ATOM 880 N LEU A 59 -3.744 -8.284 -26.859 1.00 34.41 N ATOM 881 CA LEU A 59 -3.042 -9.577 -26.985 1.00 60.13 C ATOM 882 C LEU A 59 -2.441 -9.759 -28.393 1.00 32.14 C ATOM 883 O LEU A 59 -1.236 -9.924 -28.532 1.00 5.30 O ATOM 884 CB LEU A 59 -4.012 -10.753 -26.702 1.00 73.23 C ATOM 885 CG LEU A 59 -3.388 -12.188 -26.817 1.00 63.32 C ATOM 886 CD1 LEU A 59 -2.424 -12.474 -25.654 1.00 3.02 C ATOM 887 CD2 LEU A 59 -4.472 -13.281 -26.945 1.00 62.22 C ATOM 0 H LEU A 59 -4.755 -8.374 -26.759 1.00 34.41 H new ATOM 0 HA LEU A 59 -2.235 -9.576 -26.252 1.00 60.13 H new ATOM 0 HB2 LEU A 59 -4.418 -10.632 -25.698 1.00 73.23 H new ATOM 0 HB3 LEU A 59 -4.850 -10.684 -27.395 1.00 73.23 H new ATOM 0 HG LEU A 59 -2.805 -12.214 -27.738 1.00 63.32 H new ATOM 0 HD11 LEU A 59 -2.009 -13.476 -25.763 1.00 3.02 H new ATOM 0 HD12 LEU A 59 -1.615 -11.743 -25.664 1.00 3.02 H new ATOM 0 HD13 LEU A 59 -2.963 -12.406 -24.709 1.00 3.02 H new ATOM 0 HD21 LEU A 59 -3.996 -14.258 -27.022 1.00 62.22 H new ATOM 0 HD22 LEU A 59 -5.116 -13.259 -26.066 1.00 62.22 H new ATOM 0 HD23 LEU A 59 -5.070 -13.097 -27.838 1.00 62.22 H new ATOM 899 N LEU A 60 -3.314 -9.662 -29.415 1.00 15.31 N ATOM 900 CA LEU A 60 -3.006 -10.024 -30.814 1.00 3.52 C ATOM 901 C LEU A 60 -1.871 -9.161 -31.374 1.00 4.12 C ATOM 902 O LEU A 60 -0.968 -9.667 -32.047 1.00 64.21 O ATOM 903 CB LEU A 60 -4.279 -9.883 -31.698 1.00 51.30 C ATOM 904 CG LEU A 60 -5.494 -10.786 -31.317 1.00 52.04 C ATOM 905 CD1 LEU A 60 -6.712 -10.490 -32.216 1.00 15.53 C ATOM 906 CD2 LEU A 60 -5.121 -12.281 -31.347 1.00 64.31 C ATOM 0 H LEU A 60 -4.268 -9.325 -29.290 1.00 15.31 H new ATOM 0 HA LEU A 60 -2.676 -11.063 -30.829 1.00 3.52 H new ATOM 0 HB2 LEU A 60 -4.603 -8.843 -31.666 1.00 51.30 H new ATOM 0 HB3 LEU A 60 -4.003 -10.099 -32.730 1.00 51.30 H new ATOM 0 HG LEU A 60 -5.774 -10.544 -30.292 1.00 52.04 H new ATOM 0 HD11 LEU A 60 -7.543 -11.134 -31.927 1.00 15.53 H new ATOM 0 HD12 LEU A 60 -7.005 -9.446 -32.100 1.00 15.53 H new ATOM 0 HD13 LEU A 60 -6.451 -10.680 -33.257 1.00 15.53 H new ATOM 0 HD21 LEU A 60 -5.991 -12.879 -31.076 1.00 64.31 H new ATOM 0 HD22 LEU A 60 -4.791 -12.554 -32.349 1.00 64.31 H new ATOM 0 HD23 LEU A 60 -4.316 -12.470 -30.636 1.00 64.31 H new ATOM 918 N ARG A 61 -1.928 -7.864 -31.061 1.00 14.22 N ATOM 919 CA ARG A 61 -0.926 -6.882 -31.493 1.00 32.21 C ATOM 920 C ARG A 61 0.444 -7.171 -30.845 1.00 5.42 C ATOM 921 O ARG A 61 1.469 -7.167 -31.532 1.00 54.34 O ATOM 922 CB ARG A 61 -1.419 -5.459 -31.149 1.00 42.44 C ATOM 923 CG ARG A 61 -0.464 -4.323 -31.573 1.00 52.13 C ATOM 924 CD ARG A 61 -1.068 -2.930 -31.337 1.00 10.13 C ATOM 925 NE ARG A 61 -0.139 -1.854 -31.714 1.00 20.13 N ATOM 926 CZ ARG A 61 -0.471 -0.565 -31.908 1.00 32.22 C ATOM 927 NH1 ARG A 61 -1.727 -0.142 -31.768 1.00 1.21 N ATOM 928 NH2 ARG A 61 0.478 0.307 -32.236 1.00 63.31 N ATOM 0 H ARG A 61 -2.676 -7.461 -30.496 1.00 14.22 H new ATOM 0 HA ARG A 61 -0.795 -6.957 -32.573 1.00 32.21 H new ATOM 0 HB2 ARG A 61 -2.386 -5.299 -31.627 1.00 42.44 H new ATOM 0 HB3 ARG A 61 -1.581 -5.396 -30.073 1.00 42.44 H new ATOM 0 HG2 ARG A 61 0.469 -4.410 -31.017 1.00 52.13 H new ATOM 0 HG3 ARG A 61 -0.217 -4.435 -32.629 1.00 52.13 H new ATOM 0 HD2 ARG A 61 -1.988 -2.832 -31.913 1.00 10.13 H new ATOM 0 HD3 ARG A 61 -1.337 -2.825 -30.286 1.00 10.13 H new ATOM 0 HE ARG A 61 0.841 -2.107 -31.839 1.00 20.13 H new ATOM 0 HH11 ARG A 61 -2.461 -0.801 -31.508 1.00 1.21 H new ATOM 0 HH12 ARG A 61 -1.954 0.841 -31.920 1.00 1.21 H new ATOM 0 HH21 ARG A 61 1.444 -0.005 -32.338 1.00 63.31 H new ATOM 0 HH22 ARG A 61 0.240 1.287 -32.386 1.00 63.31 H new ATOM 942 N HIS A 62 0.425 -7.481 -29.542 1.00 41.14 N ATOM 943 CA HIS A 62 1.648 -7.674 -28.743 1.00 43.14 C ATOM 944 C HIS A 62 2.390 -8.972 -29.141 1.00 73.44 C ATOM 945 O HIS A 62 3.593 -8.943 -29.411 1.00 61.52 O ATOM 946 CB HIS A 62 1.281 -7.706 -27.239 1.00 32.52 C ATOM 947 CG HIS A 62 2.452 -7.881 -26.315 1.00 5.31 C ATOM 948 ND1 HIS A 62 3.113 -6.850 -25.691 1.00 3.12 N ATOM 949 CD2 HIS A 62 3.074 -9.012 -25.924 1.00 41.12 C ATOM 950 CE1 HIS A 62 4.094 -7.379 -24.959 1.00 75.12 C ATOM 951 NE2 HIS A 62 4.117 -8.699 -25.065 1.00 22.41 N ATOM 0 H HIS A 62 -0.436 -7.606 -29.010 1.00 41.14 H new ATOM 0 HA HIS A 62 2.321 -6.839 -28.940 1.00 43.14 H new ATOM 0 HB2 HIS A 62 0.768 -6.779 -26.983 1.00 32.52 H new ATOM 0 HB3 HIS A 62 0.575 -8.518 -27.068 1.00 32.52 H new ATOM 0 HD1 HIS A 62 2.892 -5.858 -25.773 1.00 3.12 H new ATOM 0 HD2 HIS A 62 2.801 -10.010 -26.233 1.00 41.12 H new ATOM 0 HE1 HIS A 62 4.782 -6.804 -24.357 1.00 75.12 H new ATOM 959 N ILE A 63 1.649 -10.098 -29.143 1.00 52.03 N ATOM 960 CA ILE A 63 2.210 -11.446 -29.405 1.00 11.23 C ATOM 961 C ILE A 63 2.802 -11.533 -30.821 1.00 41.14 C ATOM 962 O ILE A 63 3.731 -12.308 -31.063 1.00 4.23 O ATOM 963 CB ILE A 63 1.140 -12.590 -29.195 1.00 13.54 C ATOM 964 CG1 ILE A 63 -0.045 -12.470 -30.214 1.00 21.50 C ATOM 965 CG2 ILE A 63 0.627 -12.588 -27.739 1.00 41.44 C ATOM 966 CD1 ILE A 63 -1.131 -13.540 -30.100 1.00 65.45 C ATOM 0 H ILE A 63 0.645 -10.103 -28.964 1.00 52.03 H new ATOM 0 HA ILE A 63 3.007 -11.599 -28.677 1.00 11.23 H new ATOM 0 HB ILE A 63 1.630 -13.545 -29.386 1.00 13.54 H new ATOM 0 HG12 ILE A 63 -0.510 -11.492 -30.088 1.00 21.50 H new ATOM 0 HG13 ILE A 63 0.364 -12.501 -31.224 1.00 21.50 H new ATOM 0 HG21 ILE A 63 -0.109 -13.382 -27.611 1.00 41.44 H new ATOM 0 HG22 ILE A 63 1.462 -12.755 -27.059 1.00 41.44 H new ATOM 0 HG23 ILE A 63 0.165 -11.626 -27.517 1.00 41.44 H new ATOM 0 HD11 ILE A 63 -1.900 -13.360 -30.852 1.00 65.45 H new ATOM 0 HD12 ILE A 63 -0.690 -14.524 -30.260 1.00 65.45 H new ATOM 0 HD13 ILE A 63 -1.578 -13.500 -29.107 1.00 65.45 H new ATOM 978 N LYS A 64 2.246 -10.718 -31.739 1.00 40.33 N ATOM 979 CA LYS A 64 2.711 -10.622 -33.122 1.00 25.13 C ATOM 980 C LYS A 64 4.165 -10.122 -33.173 1.00 1.12 C ATOM 981 O LYS A 64 4.989 -10.660 -33.917 1.00 25.41 O ATOM 982 CB LYS A 64 1.792 -9.684 -33.942 1.00 3.35 C ATOM 983 CG LYS A 64 2.066 -9.733 -35.455 1.00 43.34 C ATOM 984 CD LYS A 64 1.303 -8.668 -36.269 1.00 64.12 C ATOM 985 CE LYS A 64 1.723 -7.226 -35.929 1.00 71.50 C ATOM 986 NZ LYS A 64 1.099 -6.242 -36.861 1.00 62.21 N ATOM 0 H LYS A 64 1.456 -10.107 -31.532 1.00 40.33 H new ATOM 0 HA LYS A 64 2.672 -11.618 -33.563 1.00 25.13 H new ATOM 0 HB2 LYS A 64 0.752 -9.955 -33.759 1.00 3.35 H new ATOM 0 HB3 LYS A 64 1.921 -8.661 -33.589 1.00 3.35 H new ATOM 0 HG2 LYS A 64 3.135 -9.606 -35.624 1.00 43.34 H new ATOM 0 HG3 LYS A 64 1.799 -10.721 -35.830 1.00 43.34 H new ATOM 0 HD2 LYS A 64 1.467 -8.846 -37.332 1.00 64.12 H new ATOM 0 HD3 LYS A 64 0.234 -8.780 -36.089 1.00 64.12 H new ATOM 0 HE2 LYS A 64 1.433 -6.993 -34.904 1.00 71.50 H new ATOM 0 HE3 LYS A 64 2.808 -7.140 -35.980 1.00 71.50 H new ATOM 0 HZ1 LYS A 64 1.333 -5.276 -36.554 1.00 62.21 H new ATOM 0 HZ2 LYS A 64 1.462 -6.397 -37.823 1.00 62.21 H new ATOM 0 HZ3 LYS A 64 0.066 -6.366 -36.856 1.00 62.21 H new ATOM 1000 N LEU A 65 4.463 -9.133 -32.308 1.00 41.21 N ATOM 1001 CA LEU A 65 5.765 -8.431 -32.264 1.00 22.11 C ATOM 1002 C LEU A 65 6.913 -9.335 -31.767 1.00 4.23 C ATOM 1003 O LEU A 65 8.086 -8.967 -31.896 1.00 75.51 O ATOM 1004 CB LEU A 65 5.650 -7.162 -31.370 1.00 52.32 C ATOM 1005 CG LEU A 65 4.536 -6.150 -31.776 1.00 11.20 C ATOM 1006 CD1 LEU A 65 4.509 -4.921 -30.841 1.00 71.01 C ATOM 1007 CD2 LEU A 65 4.664 -5.738 -33.254 1.00 65.01 C ATOM 0 H LEU A 65 3.800 -8.794 -31.611 1.00 41.21 H new ATOM 0 HA LEU A 65 6.012 -8.142 -33.286 1.00 22.11 H new ATOM 0 HB2 LEU A 65 5.471 -7.479 -30.342 1.00 52.32 H new ATOM 0 HB3 LEU A 65 6.609 -6.643 -31.382 1.00 52.32 H new ATOM 0 HG LEU A 65 3.579 -6.658 -31.661 1.00 11.20 H new ATOM 0 HD11 LEU A 65 3.719 -4.240 -31.158 1.00 71.01 H new ATOM 0 HD12 LEU A 65 4.319 -5.246 -29.818 1.00 71.01 H new ATOM 0 HD13 LEU A 65 5.470 -4.408 -30.886 1.00 71.01 H new ATOM 0 HD21 LEU A 65 3.872 -5.032 -33.505 1.00 65.01 H new ATOM 0 HD22 LEU A 65 5.634 -5.269 -33.418 1.00 65.01 H new ATOM 0 HD23 LEU A 65 4.576 -6.621 -33.887 1.00 65.01 H new ATOM 1019 N HIS A 66 6.566 -10.503 -31.193 1.00 52.20 N ATOM 1020 CA HIS A 66 7.551 -11.550 -30.837 1.00 24.33 C ATOM 1021 C HIS A 66 8.260 -12.085 -32.095 1.00 1.11 C ATOM 1022 O HIS A 66 9.479 -12.292 -32.098 1.00 53.12 O ATOM 1023 CB HIS A 66 6.870 -12.716 -30.064 1.00 13.41 C ATOM 1024 CG HIS A 66 6.502 -12.392 -28.639 1.00 50.11 C ATOM 1025 ND1 HIS A 66 6.824 -13.205 -27.579 1.00 41.23 N ATOM 1026 CD2 HIS A 66 5.845 -11.325 -28.108 1.00 53.24 C ATOM 1027 CE1 HIS A 66 6.375 -12.633 -26.469 1.00 74.21 C ATOM 1028 NE2 HIS A 66 5.771 -11.486 -26.730 1.00 41.54 N ATOM 0 H HIS A 66 5.603 -10.749 -30.963 1.00 52.20 H new ATOM 0 HA HIS A 66 8.298 -11.097 -30.185 1.00 24.33 H new ATOM 0 HB2 HIS A 66 5.968 -13.012 -30.600 1.00 13.41 H new ATOM 0 HB3 HIS A 66 7.540 -13.576 -30.066 1.00 13.41 H new ATOM 0 HD2 HIS A 66 5.447 -10.490 -28.666 1.00 53.24 H new ATOM 0 HE1 HIS A 66 6.488 -13.051 -25.479 1.00 74.21 H new ATOM 0 HE2 HIS A 66 5.340 -10.851 -26.058 1.00 41.54 H new ATOM 1036 N SER A 67 7.483 -12.276 -33.169 1.00 35.22 N ATOM 1037 CA SER A 67 7.987 -12.795 -34.460 1.00 12.10 C ATOM 1038 C SER A 67 7.808 -11.747 -35.576 1.00 2.40 C ATOM 1039 O SER A 67 7.823 -12.087 -36.766 1.00 35.41 O ATOM 1040 CB SER A 67 7.230 -14.100 -34.785 1.00 31.41 C ATOM 1041 OG SER A 67 7.372 -15.053 -33.742 1.00 55.24 O ATOM 0 H SER A 67 6.483 -12.076 -33.173 1.00 35.22 H new ATOM 0 HA SER A 67 9.055 -13.004 -34.390 1.00 12.10 H new ATOM 0 HB2 SER A 67 6.173 -13.881 -34.939 1.00 31.41 H new ATOM 0 HB3 SER A 67 7.608 -14.519 -35.717 1.00 31.41 H new ATOM 0 HG SER A 67 6.881 -15.868 -33.975 1.00 55.24 H new ATOM 1047 N GLY A 68 7.674 -10.466 -35.172 1.00 64.30 N ATOM 1048 CA GLY A 68 7.463 -9.366 -36.110 1.00 23.54 C ATOM 1049 C GLY A 68 6.027 -9.308 -36.606 1.00 74.44 C ATOM 1050 O GLY A 68 5.212 -8.529 -36.095 1.00 63.52 O ATOM 0 H GLY A 68 7.710 -10.177 -34.194 1.00 64.30 H new ATOM 0 HA2 GLY A 68 7.718 -8.423 -35.626 1.00 23.54 H new ATOM 0 HA3 GLY A 68 8.136 -9.480 -36.960 1.00 23.54 H new ATOM 1054 N GLU A 69 5.718 -10.168 -37.587 1.00 3.52 N ATOM 1055 CA GLU A 69 4.385 -10.275 -38.211 1.00 11.30 C ATOM 1056 C GLU A 69 3.871 -11.727 -38.133 1.00 65.12 C ATOM 1057 O GLU A 69 3.062 -12.136 -38.974 1.00 51.30 O ATOM 1058 CB GLU A 69 4.438 -9.802 -39.691 1.00 14.31 C ATOM 1059 CG GLU A 69 4.861 -8.335 -39.877 1.00 54.55 C ATOM 1060 CD GLU A 69 3.963 -7.312 -39.152 1.00 10.34 C ATOM 1061 OE1 GLU A 69 2.716 -7.381 -39.277 1.00 0.25 O ATOM 1062 OE2 GLU A 69 4.490 -6.417 -38.461 1.00 4.54 O ATOM 0 H GLU A 69 6.397 -10.821 -37.978 1.00 3.52 H new ATOM 0 HA GLU A 69 3.696 -9.631 -37.665 1.00 11.30 H new ATOM 0 HB2 GLU A 69 5.133 -10.439 -40.238 1.00 14.31 H new ATOM 0 HB3 GLU A 69 3.455 -9.943 -40.140 1.00 14.31 H new ATOM 0 HG2 GLU A 69 5.884 -8.218 -39.521 1.00 54.55 H new ATOM 0 HG3 GLU A 69 4.866 -8.104 -40.942 1.00 54.55 H new ATOM 1069 N LYS A 70 4.342 -12.478 -37.097 1.00 53.15 N ATOM 1070 CA LYS A 70 4.067 -13.939 -36.926 1.00 22.32 C ATOM 1071 C LYS A 70 4.807 -14.760 -38.043 1.00 1.33 C ATOM 1072 O LYS A 70 5.473 -14.151 -38.894 1.00 71.12 O ATOM 1073 CB LYS A 70 2.508 -14.223 -36.873 1.00 33.34 C ATOM 1074 CG LYS A 70 1.947 -14.833 -35.557 1.00 53.11 C ATOM 1075 CD LYS A 70 2.202 -13.978 -34.285 1.00 5.25 C ATOM 1076 CE LYS A 70 3.449 -14.402 -33.483 1.00 3.45 C ATOM 1077 NZ LYS A 70 3.252 -15.706 -32.796 1.00 51.41 N ATOM 0 H LYS A 70 4.924 -12.089 -36.355 1.00 53.15 H new ATOM 0 HA LYS A 70 4.465 -14.272 -35.967 1.00 22.32 H new ATOM 0 HB2 LYS A 70 1.986 -13.285 -37.061 1.00 33.34 H new ATOM 0 HB3 LYS A 70 2.258 -14.897 -37.692 1.00 33.34 H new ATOM 0 HG2 LYS A 70 0.873 -14.980 -35.670 1.00 53.11 H new ATOM 0 HG3 LYS A 70 2.390 -15.818 -35.411 1.00 53.11 H new ATOM 0 HD2 LYS A 70 2.309 -12.933 -34.577 1.00 5.25 H new ATOM 0 HD3 LYS A 70 1.328 -14.040 -33.637 1.00 5.25 H new ATOM 0 HE2 LYS A 70 4.305 -14.471 -34.154 1.00 3.45 H new ATOM 0 HE3 LYS A 70 3.684 -13.635 -32.745 1.00 3.45 H new ATOM 0 HZ1 LYS A 70 4.056 -15.890 -32.162 1.00 51.41 H new ATOM 0 HZ2 LYS A 70 2.373 -15.677 -32.241 1.00 51.41 H new ATOM 0 HZ3 LYS A 70 3.189 -16.465 -33.504 1.00 51.41 H new ATOM 1091 N PRO A 71 4.805 -16.146 -38.007 1.00 22.14 N ATOM 1092 CA PRO A 71 5.199 -16.967 -39.177 1.00 60.14 C ATOM 1093 C PRO A 71 4.504 -16.514 -40.473 1.00 41.03 C ATOM 1094 O PRO A 71 3.276 -16.619 -40.608 1.00 42.14 O ATOM 1095 CB PRO A 71 4.786 -18.394 -38.759 1.00 73.42 C ATOM 1096 CG PRO A 71 5.003 -18.384 -37.279 1.00 42.23 C ATOM 1097 CD PRO A 71 4.553 -17.010 -36.819 1.00 61.31 C ATOM 0 HA PRO A 71 6.260 -16.885 -39.412 1.00 60.14 H new ATOM 0 HB2 PRO A 71 3.747 -18.605 -39.014 1.00 73.42 H new ATOM 0 HB3 PRO A 71 5.395 -19.152 -39.252 1.00 73.42 H new ATOM 0 HG2 PRO A 71 4.427 -19.170 -36.791 1.00 42.23 H new ATOM 0 HG3 PRO A 71 6.051 -18.558 -37.034 1.00 42.23 H new ATOM 0 HD2 PRO A 71 3.500 -17.006 -36.536 1.00 61.31 H new ATOM 0 HD3 PRO A 71 5.118 -16.673 -35.950 1.00 61.31 H new ATOM 1105 N PHE A 72 5.317 -15.961 -41.389 1.00 33.31 N ATOM 1106 CA PHE A 72 4.855 -15.402 -42.668 1.00 44.44 C ATOM 1107 C PHE A 72 4.244 -16.486 -43.578 1.00 3.31 C ATOM 1108 O PHE A 72 3.399 -16.191 -44.429 1.00 23.21 O ATOM 1109 CB PHE A 72 6.024 -14.658 -43.365 1.00 22.14 C ATOM 1110 CG PHE A 72 7.198 -15.542 -43.820 1.00 23.13 C ATOM 1111 CD1 PHE A 72 8.226 -15.870 -42.940 1.00 51.03 C ATOM 1112 CD2 PHE A 72 7.267 -16.039 -45.127 1.00 33.21 C ATOM 1113 CE1 PHE A 72 9.278 -16.665 -43.343 1.00 54.05 C ATOM 1114 CE2 PHE A 72 8.317 -16.833 -45.526 1.00 21.12 C ATOM 1115 CZ PHE A 72 9.324 -17.144 -44.634 1.00 54.12 C ATOM 0 H PHE A 72 6.326 -15.889 -41.259 1.00 33.31 H new ATOM 0 HA PHE A 72 4.058 -14.686 -42.467 1.00 44.44 H new ATOM 0 HB2 PHE A 72 5.629 -14.133 -44.235 1.00 22.14 H new ATOM 0 HB3 PHE A 72 6.407 -13.900 -42.682 1.00 22.14 H new ATOM 0 HD1 PHE A 72 8.199 -15.496 -41.927 1.00 51.03 H new ATOM 0 HD2 PHE A 72 6.485 -15.796 -45.831 1.00 33.21 H new ATOM 0 HE1 PHE A 72 10.066 -16.912 -42.647 1.00 54.05 H new ATOM 0 HE2 PHE A 72 8.354 -17.213 -46.536 1.00 21.12 H new ATOM 0 HZ PHE A 72 10.150 -17.764 -44.949 1.00 54.12 H new ATOM 1125 N LYS A 73 4.688 -17.731 -43.374 1.00 25.22 N ATOM 1126 CA LYS A 73 4.208 -18.910 -44.096 1.00 1.15 C ATOM 1127 C LYS A 73 3.757 -19.967 -43.064 1.00 52.23 C ATOM 1128 O LYS A 73 2.572 -20.370 -43.067 1.00 61.12 O ATOM 1129 CB LYS A 73 5.325 -19.459 -45.022 1.00 34.43 C ATOM 1130 CG LYS A 73 4.904 -20.656 -45.910 1.00 1.10 C ATOM 1131 CD LYS A 73 6.062 -21.201 -46.780 1.00 12.11 C ATOM 1132 CE LYS A 73 6.636 -20.158 -47.758 1.00 14.21 C ATOM 1133 NZ LYS A 73 5.612 -19.669 -48.727 1.00 33.22 N ATOM 1134 OXT LYS A 73 4.582 -20.342 -42.206 1.00 38.10 O ATOM 0 H LYS A 73 5.408 -17.950 -42.686 1.00 25.22 H new ATOM 0 HA LYS A 73 3.360 -18.649 -44.729 1.00 1.15 H new ATOM 0 HB2 LYS A 73 5.673 -18.651 -45.666 1.00 34.43 H new ATOM 0 HB3 LYS A 73 6.172 -19.762 -44.406 1.00 34.43 H new ATOM 0 HG2 LYS A 73 4.526 -21.457 -45.275 1.00 1.10 H new ATOM 0 HG3 LYS A 73 4.083 -20.349 -46.558 1.00 1.10 H new ATOM 0 HD2 LYS A 73 6.861 -21.555 -46.128 1.00 12.11 H new ATOM 0 HD3 LYS A 73 5.707 -22.062 -47.346 1.00 12.11 H new ATOM 0 HE2 LYS A 73 7.032 -19.314 -47.194 1.00 14.21 H new ATOM 0 HE3 LYS A 73 7.471 -20.596 -48.305 1.00 14.21 H new ATOM 0 HZ1 LYS A 73 6.055 -19.008 -49.396 1.00 33.22 H new ATOM 0 HZ2 LYS A 73 5.215 -20.476 -49.249 1.00 33.22 H new ATOM 0 HZ3 LYS A 73 4.851 -19.182 -48.212 1.00 33.22 H new TER 1148 LYS A 73 HETATM 1149 ZN ZN A 101 5.089 -10.420 -23.979 1.00 74.14 ZN