USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 919 hydrogens (128 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 22 HIS HE2 : A 22 HIS NE2 : A 108 HECFE :(H bumps) USER MOD NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 108 HECFE :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 109 HECFE :(H bumps) USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 109 HECFE :(H bumps) USER MOD NoAdj-H: A 70 HIS HE2 : A 70 HIS NE2 : A 111 HECFE :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 110 HECFE :(H bumps) USER MOD NoAdj-H: A 106 HIS HE2 : A 106 HIS NE2 : A 111 HECFE :(H bumps) USER MOD NoAdj-H: A 108 HEC HAC : A 108 HEC CAC : A 33 CYS SG :(H bumps) USER MOD NoAdj-H: A 108 HEC HAB : A 108 HEC CAB : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 109 HEC HAC : A 109 HEC CAC : A 51 CYS SG :(H bumps) USER MOD NoAdj-H: A 109 HEC HAB : A 109 HEC CAB : A 46 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAC : A 110 HEC CAC : A 82 CYS SG :(H bumps) USER MOD NoAdj-H: A 110 HEC HAB : A 110 HEC CAB : A 79 CYS SG :(H bumps) USER MOD NoAdj-H: A 111 HEC HAC : A 111 HEC CAC : A 105 CYS SG :(H bumps) USER MOD NoAdj-H: A 111 HEC HAB : A 111 HEC CAB : A 100 CYS SG :(H bumps) USER MOD Set 1.1: A 65 TYR OH : rot -133:sc= 1.24 USER MOD Set 1.2: A 111 HEC O2D : rot 87:sc= 0.0442! USER MOD Set 2.1: A 60 LYS NZ :NH3+ -152:sc= -1.08 (180deg=-1.59) USER MOD Set 2.2: A 67 HIS : no HE2:sc= -1.33 K(o=-2.2,f=-4.7!) USER MOD Set 2.3: A 109 HEC O2A : rot 54:sc= 0.194 USER MOD Single : A 1 ALA N :NH3+ -110:sc= 0.0998 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 158:sc= -0.0241 (180deg=-0.198) USER MOD Single : A 11 MET CE :methyl 180:sc= -0.304 (180deg=-0.304) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.401 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -9.29! C(o=-9.3!,f=-19!) USER MOD Single : A 21 ASN : amide:sc= -0.462 X(o=-0.46,f=-0.023) USER MOD Single : A 23 SER OG : rot 180:sc= -0.114 USER MOD Single : A 24 THR OG1 : rot -28:sc= 0.0696 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.607 X(o=-0.61,f=-0.16) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 150:sc= -0.168 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.972 USER MOD Single : A 54 SER OG : rot 145:sc= 0.00563 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -157:sc= -2.7 (180deg=-4.84!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 79:sc= 1.2 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -145:sc= 1.76 USER MOD Single : A 93 LYS NZ :NH3+ 162:sc= -0.49 (180deg=-1.3) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -169:sc=-0.00364 (180deg=-0.185) USER MOD Single : A 98 THR OG1 : rot -14:sc= -0.0482 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.021) USER MOD Single : A 103 SER OG : rot 82:sc= 1.19 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HEC O2A : rot 165:sc= 0 USER MOD Single : A 108 HEC O2D : rot 91:sc= -0.302 USER MOD Single : A 109 HEC O2D : rot 180:sc= 0 USER MOD Single : A 110 HEC O2A : rot 165:sc= 0 USER MOD Single : A 110 HEC O2D : rot 180:sc= -0.0396 USER MOD Single : A 111 HEC O2A : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.620 -15.689 -3.757 1.00 0.00 N ATOM 2 CA ALA A 1 0.660 -14.644 -3.443 1.00 0.00 C ATOM 3 C ALA A 1 -0.410 -14.596 -4.535 1.00 0.00 C ATOM 4 O ALA A 1 -0.293 -15.213 -5.591 1.00 0.00 O ATOM 5 CB ALA A 1 1.392 -13.310 -3.284 1.00 0.00 C ATOM 0 H1 ALA A 1 1.513 -16.473 -3.082 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.451 -16.037 -4.722 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.584 -15.306 -3.691 1.00 0.00 H new ATOM 0 HA ALA A 1 0.158 -14.855 -2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.672 -12.526 -3.049 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.120 -13.389 -2.477 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.906 -13.064 -4.213 1.00 0.00 H new ATOM 13 N PRO A 2 -1.472 -13.837 -4.251 1.00 0.00 N ATOM 14 CA PRO A 2 -2.599 -13.647 -5.138 1.00 0.00 C ATOM 15 C PRO A 2 -2.364 -12.419 -6.006 1.00 0.00 C ATOM 16 O PRO A 2 -2.381 -11.307 -5.480 1.00 0.00 O ATOM 17 CB PRO A 2 -3.796 -13.442 -4.212 1.00 0.00 C ATOM 18 CG PRO A 2 -3.099 -12.641 -3.031 1.00 0.00 C ATOM 19 CD PRO A 2 -1.642 -13.098 -3.019 1.00 0.00 C ATOM 0 HA PRO A 2 -2.755 -14.489 -5.813 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -4.596 -12.873 -4.686 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -4.230 -14.384 -3.877 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -3.170 -11.565 -3.193 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -3.583 -12.852 -2.077 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -0.962 -12.248 -2.972 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -1.431 -13.723 -2.151 1.00 0.00 H new ATOM 27 N LYS A 3 -2.151 -12.635 -7.296 1.00 0.00 N ATOM 28 CA LYS A 3 -1.914 -11.532 -8.211 1.00 0.00 C ATOM 29 C LYS A 3 -3.016 -10.485 -8.036 1.00 0.00 C ATOM 30 O LYS A 3 -3.913 -10.654 -7.212 1.00 0.00 O ATOM 31 CB LYS A 3 -1.775 -12.045 -9.646 1.00 0.00 C ATOM 32 CG LYS A 3 -0.400 -12.677 -9.871 1.00 0.00 C ATOM 33 CD LYS A 3 0.129 -12.352 -11.269 1.00 0.00 C ATOM 34 CE LYS A 3 0.703 -13.601 -11.942 1.00 0.00 C ATOM 35 NZ LYS A 3 0.797 -13.405 -13.406 1.00 0.00 N ATOM 0 H LYS A 3 -2.138 -13.558 -7.729 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.968 -11.042 -7.980 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.555 -12.779 -9.851 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.920 -11.222 -10.346 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.300 -12.312 -9.119 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.467 -13.758 -9.746 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.675 -11.942 -11.880 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.900 -11.584 -11.201 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.690 -13.820 -11.534 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.070 -14.462 -11.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.188 -14.262 -13.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.150 -13.219 -13.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.419 -12.597 -13.609 1.00 0.00 H new ATOM 49 N ALA A 4 -2.912 -9.426 -8.826 1.00 0.00 N ATOM 50 CA ALA A 4 -3.889 -8.351 -8.768 1.00 0.00 C ATOM 51 C ALA A 4 -4.978 -8.602 -9.814 1.00 0.00 C ATOM 52 O ALA A 4 -4.728 -9.095 -10.911 1.00 0.00 O ATOM 53 CB ALA A 4 -3.184 -7.009 -8.971 1.00 0.00 C ATOM 0 H ALA A 4 -2.167 -9.289 -9.509 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.370 -8.321 -7.791 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.916 -6.203 -8.928 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.440 -6.866 -8.187 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.692 -7.000 -9.944 1.00 0.00 H new ATOM 59 N PRO A 5 -6.210 -8.245 -9.443 1.00 0.00 N ATOM 60 CA PRO A 5 -7.386 -8.390 -10.273 1.00 0.00 C ATOM 61 C PRO A 5 -7.376 -7.328 -11.363 1.00 0.00 C ATOM 62 O PRO A 5 -6.463 -6.504 -11.381 1.00 0.00 O ATOM 63 CB PRO A 5 -8.564 -8.187 -9.321 1.00 0.00 C ATOM 64 CG PRO A 5 -8.004 -7.249 -8.280 1.00 0.00 C ATOM 65 CD PRO A 5 -6.539 -7.662 -8.160 1.00 0.00 C ATOM 0 HA PRO A 5 -7.437 -9.358 -10.772 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.425 -7.755 -9.831 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -8.893 -9.128 -8.880 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.101 -6.208 -8.587 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.527 -7.351 -7.329 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.903 -6.804 -7.941 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.396 -8.379 -7.352 1.00 0.00 H new ATOM 73 N ALA A 6 -8.371 -7.365 -12.237 1.00 0.00 N ATOM 74 CA ALA A 6 -8.454 -6.397 -13.317 1.00 0.00 C ATOM 75 C ALA A 6 -9.228 -5.168 -12.837 1.00 0.00 C ATOM 76 O ALA A 6 -10.104 -5.277 -11.981 1.00 0.00 O ATOM 77 CB ALA A 6 -9.099 -7.051 -14.540 1.00 0.00 C ATOM 0 H ALA A 6 -9.126 -8.050 -12.219 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.459 -6.065 -13.612 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.161 -6.325 -15.350 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.495 -7.900 -14.859 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.101 -7.395 -14.283 1.00 0.00 H new ATOM 83 N ASP A 7 -8.877 -4.026 -13.410 1.00 0.00 N ATOM 84 CA ASP A 7 -9.528 -2.777 -13.051 1.00 0.00 C ATOM 85 C ASP A 7 -11.040 -2.998 -12.978 1.00 0.00 C ATOM 86 O ASP A 7 -11.543 -4.025 -13.430 1.00 0.00 O ATOM 87 CB ASP A 7 -9.258 -1.695 -14.098 1.00 0.00 C ATOM 88 CG ASP A 7 -7.856 -1.720 -14.708 1.00 0.00 C ATOM 89 OD1 ASP A 7 -6.913 -2.040 -13.952 1.00 0.00 O ATOM 90 OD2 ASP A 7 -7.757 -1.420 -15.918 1.00 0.00 O ATOM 0 H ASP A 7 -8.150 -3.939 -14.120 1.00 0.00 H new ATOM 0 HA ASP A 7 -9.132 -2.454 -12.088 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.989 -1.797 -14.900 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -9.421 -0.719 -13.640 1.00 0.00 H new ATOM 95 N GLY A 8 -11.722 -2.017 -12.405 1.00 0.00 N ATOM 96 CA GLY A 8 -13.166 -2.092 -12.266 1.00 0.00 C ATOM 97 C GLY A 8 -13.580 -2.044 -10.794 1.00 0.00 C ATOM 98 O GLY A 8 -14.740 -2.284 -10.463 1.00 0.00 O ATOM 0 H GLY A 8 -11.301 -1.166 -12.032 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.630 -1.266 -12.805 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.531 -3.013 -12.720 1.00 0.00 H new ATOM 102 N LEU A 9 -12.608 -1.732 -9.950 1.00 0.00 N ATOM 103 CA LEU A 9 -12.856 -1.649 -8.520 1.00 0.00 C ATOM 104 C LEU A 9 -13.050 -0.184 -8.125 1.00 0.00 C ATOM 105 O LEU A 9 -12.159 0.641 -8.325 1.00 0.00 O ATOM 106 CB LEU A 9 -11.743 -2.353 -7.742 1.00 0.00 C ATOM 107 CG LEU A 9 -11.011 -1.504 -6.701 1.00 0.00 C ATOM 108 CD1 LEU A 9 -11.917 -1.200 -5.506 1.00 0.00 C ATOM 109 CD2 LEU A 9 -9.701 -2.169 -6.273 1.00 0.00 C ATOM 0 H LEU A 9 -11.647 -1.534 -10.228 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.776 -2.174 -8.262 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.171 -3.220 -7.239 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.010 -2.729 -8.456 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.752 -0.550 -7.160 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.372 -0.595 -4.781 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.797 -0.654 -5.846 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.228 -2.134 -5.038 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.201 -1.545 -5.533 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.914 -3.146 -5.839 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.054 -2.291 -7.142 1.00 0.00 H new ATOM 121 N LYS A 10 -14.220 0.096 -7.570 1.00 0.00 N ATOM 122 CA LYS A 10 -14.543 1.448 -7.145 1.00 0.00 C ATOM 123 C LYS A 10 -15.153 1.404 -5.742 1.00 0.00 C ATOM 124 O LYS A 10 -15.957 0.525 -5.438 1.00 0.00 O ATOM 125 CB LYS A 10 -15.432 2.138 -8.181 1.00 0.00 C ATOM 126 CG LYS A 10 -16.872 1.628 -8.094 1.00 0.00 C ATOM 127 CD LYS A 10 -16.994 0.223 -8.688 1.00 0.00 C ATOM 128 CE LYS A 10 -18.141 0.151 -9.698 1.00 0.00 C ATOM 129 NZ LYS A 10 -17.834 0.973 -10.890 1.00 0.00 N ATOM 0 H LYS A 10 -14.956 -0.590 -7.405 1.00 0.00 H new ATOM 0 HA LYS A 10 -13.639 2.054 -7.082 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.414 3.216 -8.021 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.038 1.958 -9.181 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -17.195 1.616 -7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -17.536 2.310 -8.625 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.058 -0.052 -9.175 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -17.162 -0.500 -7.890 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -18.307 -0.884 -9.996 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -19.064 0.501 -9.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -18.401 0.641 -11.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -18.061 1.969 -10.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.823 0.888 -11.120 1.00 0.00 H new ATOM 143 N MET A 11 -14.746 2.365 -4.925 1.00 0.00 N ATOM 144 CA MET A 11 -15.242 2.447 -3.562 1.00 0.00 C ATOM 145 C MET A 11 -16.245 3.593 -3.412 1.00 0.00 C ATOM 146 O MET A 11 -15.891 4.759 -3.584 1.00 0.00 O ATOM 147 CB MET A 11 -14.070 2.666 -2.604 1.00 0.00 C ATOM 148 CG MET A 11 -12.865 1.813 -3.008 1.00 0.00 C ATOM 149 SD MET A 11 -12.232 0.938 -1.587 1.00 0.00 S ATOM 150 CE MET A 11 -11.275 2.238 -0.824 1.00 0.00 C ATOM 0 H MET A 11 -14.079 3.093 -5.181 1.00 0.00 H new ATOM 0 HA MET A 11 -15.748 1.512 -3.323 1.00 0.00 H new ATOM 0 HB2 MET A 11 -13.790 3.719 -2.601 1.00 0.00 H new ATOM 0 HB3 MET A 11 -14.374 2.414 -1.588 1.00 0.00 H new ATOM 0 HG2 MET A 11 -13.155 1.103 -3.783 1.00 0.00 H new ATOM 0 HG3 MET A 11 -12.086 2.447 -3.432 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.807 1.860 0.085 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.504 2.576 -1.516 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.930 3.073 -0.574 1.00 0.00 H new ATOM 160 N GLU A 12 -17.476 3.222 -3.093 1.00 0.00 N ATOM 161 CA GLU A 12 -18.532 4.205 -2.918 1.00 0.00 C ATOM 162 C GLU A 12 -19.478 3.773 -1.795 1.00 0.00 C ATOM 163 O GLU A 12 -20.686 3.668 -2.002 1.00 0.00 O ATOM 164 CB GLU A 12 -19.297 4.427 -4.224 1.00 0.00 C ATOM 165 CG GLU A 12 -20.112 3.188 -4.599 1.00 0.00 C ATOM 166 CD GLU A 12 -21.552 3.566 -4.954 1.00 0.00 C ATOM 167 OE1 GLU A 12 -22.318 3.838 -4.004 1.00 0.00 O ATOM 168 OE2 GLU A 12 -21.854 3.574 -6.167 1.00 0.00 O ATOM 0 H GLU A 12 -17.766 2.254 -2.951 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.075 5.154 -2.637 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -19.961 5.285 -4.120 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.596 4.662 -5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -19.645 2.684 -5.445 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -20.112 2.483 -3.768 1.00 0.00 H new ATOM 175 N ALA A 13 -18.893 3.535 -0.630 1.00 0.00 N ATOM 176 CA ALA A 13 -19.668 3.117 0.525 1.00 0.00 C ATOM 177 C ALA A 13 -20.311 4.344 1.174 1.00 0.00 C ATOM 178 O ALA A 13 -21.314 4.226 1.876 1.00 0.00 O ATOM 179 CB ALA A 13 -18.767 2.350 1.495 1.00 0.00 C ATOM 0 H ALA A 13 -17.891 3.624 -0.462 1.00 0.00 H new ATOM 0 HA ALA A 13 -20.471 2.444 0.224 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -19.349 2.037 2.362 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.359 1.472 0.995 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.950 2.995 1.820 1.00 0.00 H new ATOM 185 N THR A 14 -19.707 5.495 0.915 1.00 0.00 N ATOM 186 CA THR A 14 -20.208 6.743 1.465 1.00 0.00 C ATOM 187 C THR A 14 -20.942 7.544 0.389 1.00 0.00 C ATOM 188 O THR A 14 -21.403 6.981 -0.603 1.00 0.00 O ATOM 189 CB THR A 14 -19.027 7.495 2.083 1.00 0.00 C ATOM 190 OG1 THR A 14 -18.448 8.194 0.984 1.00 0.00 O ATOM 191 CG2 THR A 14 -17.916 6.555 2.554 1.00 0.00 C ATOM 0 H THR A 14 -18.876 5.589 0.332 1.00 0.00 H new ATOM 0 HA THR A 14 -20.943 6.562 2.249 1.00 0.00 H new ATOM 0 HB THR A 14 -19.377 8.093 2.925 1.00 0.00 H new ATOM 0 HG1 THR A 14 -17.675 8.710 1.295 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.103 7.140 2.984 1.00 0.00 H new ATOM 0 HG22 THR A 14 -18.311 5.874 3.308 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.541 5.981 1.706 1.00 0.00 H new ATOM 199 N LYS A 15 -21.028 8.846 0.620 1.00 0.00 N ATOM 200 CA LYS A 15 -21.698 9.730 -0.318 1.00 0.00 C ATOM 201 C LYS A 15 -20.679 10.266 -1.324 1.00 0.00 C ATOM 202 O LYS A 15 -20.836 11.370 -1.845 1.00 0.00 O ATOM 203 CB LYS A 15 -22.459 10.827 0.430 1.00 0.00 C ATOM 204 CG LYS A 15 -23.432 10.224 1.446 1.00 0.00 C ATOM 205 CD LYS A 15 -24.647 11.132 1.647 1.00 0.00 C ATOM 206 CE LYS A 15 -24.526 11.931 2.945 1.00 0.00 C ATOM 207 NZ LYS A 15 -25.388 13.133 2.896 1.00 0.00 N ATOM 0 H LYS A 15 -20.645 9.310 1.444 1.00 0.00 H new ATOM 0 HA LYS A 15 -22.450 9.183 -0.886 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -21.752 11.481 0.941 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -23.007 11.444 -0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -23.760 9.243 1.103 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -22.923 10.075 2.398 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -24.738 11.815 0.803 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -25.555 10.530 1.670 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -24.811 11.306 3.791 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -23.489 12.226 3.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -25.294 13.664 3.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -25.098 13.736 2.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -26.379 12.845 2.768 1.00 0.00 H new ATOM 221 N GLN A 16 -19.655 9.461 -1.568 1.00 0.00 N ATOM 222 CA GLN A 16 -18.610 9.841 -2.503 1.00 0.00 C ATOM 223 C GLN A 16 -17.892 8.597 -3.031 1.00 0.00 C ATOM 224 O GLN A 16 -17.080 7.974 -2.350 1.00 0.00 O ATOM 225 CB GLN A 16 -17.620 10.811 -1.855 1.00 0.00 C ATOM 226 CG GLN A 16 -18.145 11.311 -0.507 1.00 0.00 C ATOM 227 CD GLN A 16 -17.102 12.178 0.200 1.00 0.00 C ATOM 228 OE1 GLN A 16 -15.907 12.054 -0.013 1.00 0.00 O ATOM 229 NE2 GLN A 16 -17.619 13.059 1.052 1.00 0.00 N ATOM 0 H GLN A 16 -19.527 8.547 -1.134 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.073 10.355 -3.345 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -16.659 10.316 -1.714 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -17.448 11.658 -2.519 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -19.058 11.886 -0.659 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -18.405 10.461 0.124 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -18.629 13.110 1.183 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -17.005 13.684 1.575 1.00 0.00 H new ATOM 238 N PRO A 17 -18.216 8.245 -4.277 1.00 0.00 N ATOM 239 CA PRO A 17 -17.658 7.106 -4.974 1.00 0.00 C ATOM 240 C PRO A 17 -16.271 7.454 -5.493 1.00 0.00 C ATOM 241 O PRO A 17 -16.121 8.491 -6.138 1.00 0.00 O ATOM 242 CB PRO A 17 -18.624 6.841 -6.127 1.00 0.00 C ATOM 243 CG PRO A 17 -19.162 8.209 -6.438 1.00 0.00 C ATOM 244 CD PRO A 17 -19.167 8.954 -5.105 1.00 0.00 C ATOM 0 HA PRO A 17 -17.547 6.230 -4.335 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.117 6.402 -6.986 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -19.417 6.151 -5.839 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -18.538 8.720 -7.171 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.166 8.150 -6.859 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -18.877 9.997 -5.234 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.160 8.952 -4.656 1.00 0.00 H new ATOM 252 N VAL A 18 -15.298 6.601 -5.208 1.00 0.00 N ATOM 253 CA VAL A 18 -13.937 6.840 -5.656 1.00 0.00 C ATOM 254 C VAL A 18 -13.398 5.580 -6.334 1.00 0.00 C ATOM 255 O VAL A 18 -13.184 4.561 -5.679 1.00 0.00 O ATOM 256 CB VAL A 18 -13.073 7.303 -4.480 1.00 0.00 C ATOM 257 CG1 VAL A 18 -11.646 7.610 -4.936 1.00 0.00 C ATOM 258 CG2 VAL A 18 -13.699 8.512 -3.782 1.00 0.00 C ATOM 0 H VAL A 18 -15.426 5.743 -4.672 1.00 0.00 H new ATOM 0 HA VAL A 18 -13.914 7.641 -6.395 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.025 6.488 -3.758 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.053 7.937 -4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.200 6.713 -5.365 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.666 8.400 -5.687 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.065 8.821 -2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.792 9.334 -4.492 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.686 8.244 -3.406 1.00 0.00 H new ATOM 268 N VAL A 19 -13.194 5.689 -7.639 1.00 0.00 N ATOM 269 CA VAL A 19 -12.684 4.570 -8.413 1.00 0.00 C ATOM 270 C VAL A 19 -11.165 4.492 -8.248 1.00 0.00 C ATOM 271 O VAL A 19 -10.505 5.511 -8.051 1.00 0.00 O ATOM 272 CB VAL A 19 -13.121 4.702 -9.873 1.00 0.00 C ATOM 273 CG1 VAL A 19 -12.089 5.489 -10.685 1.00 0.00 C ATOM 274 CG2 VAL A 19 -13.377 3.328 -10.495 1.00 0.00 C ATOM 0 H VAL A 19 -13.373 6.535 -8.180 1.00 0.00 H new ATOM 0 HA VAL A 19 -13.099 3.631 -8.047 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.058 5.258 -9.894 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.424 5.568 -11.719 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.978 6.487 -10.262 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.130 4.972 -10.653 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -13.686 3.450 -11.533 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.463 2.735 -10.456 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.164 2.818 -9.940 1.00 0.00 H new ATOM 284 N PHE A 20 -10.654 3.273 -8.335 1.00 0.00 N ATOM 285 CA PHE A 20 -9.225 3.048 -8.198 1.00 0.00 C ATOM 286 C PHE A 20 -8.792 1.791 -8.955 1.00 0.00 C ATOM 287 O PHE A 20 -9.216 0.685 -8.624 1.00 0.00 O ATOM 288 CB PHE A 20 -8.944 2.852 -6.706 1.00 0.00 C ATOM 289 CG PHE A 20 -7.786 1.897 -6.411 1.00 0.00 C ATOM 290 CD1 PHE A 20 -8.007 0.556 -6.361 1.00 0.00 C ATOM 291 CD2 PHE A 20 -6.536 2.389 -6.200 1.00 0.00 C ATOM 292 CE1 PHE A 20 -6.932 -0.331 -6.087 1.00 0.00 C ATOM 293 CE2 PHE A 20 -5.461 1.502 -5.926 1.00 0.00 C ATOM 294 CZ PHE A 20 -5.682 0.161 -5.876 1.00 0.00 C ATOM 0 H PHE A 20 -11.204 2.430 -8.499 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.675 3.894 -8.609 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.725 3.821 -6.258 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.845 2.474 -6.224 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -9.000 0.166 -6.530 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.361 3.454 -6.241 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.107 -1.396 -6.046 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.468 1.892 -5.757 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.864 -0.513 -5.669 1.00 0.00 H new ATOM 304 N ASN A 21 -7.953 2.003 -9.959 1.00 0.00 N ATOM 305 CA ASN A 21 -7.458 0.902 -10.766 1.00 0.00 C ATOM 306 C ASN A 21 -6.050 0.526 -10.300 1.00 0.00 C ATOM 307 O ASN A 21 -5.178 1.383 -10.177 1.00 0.00 O ATOM 308 CB ASN A 21 -7.379 1.293 -12.243 1.00 0.00 C ATOM 309 CG ASN A 21 -8.392 2.391 -12.575 1.00 0.00 C ATOM 310 OD1 ASN A 21 -8.077 3.568 -12.625 1.00 0.00 O ATOM 311 ND2 ASN A 21 -9.624 1.941 -12.797 1.00 0.00 N ATOM 0 H ASN A 21 -7.604 2.922 -10.231 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.146 0.064 -10.651 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.372 1.639 -12.478 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.569 0.418 -12.865 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.373 2.595 -13.025 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.820 0.942 -12.739 1.00 0.00 H new ATOM 318 N HIS A 22 -5.867 -0.771 -10.050 1.00 0.00 N ATOM 319 CA HIS A 22 -4.593 -1.317 -9.597 1.00 0.00 C ATOM 320 C HIS A 22 -3.496 -1.007 -10.633 1.00 0.00 C ATOM 321 O HIS A 22 -2.310 -1.044 -10.307 1.00 0.00 O ATOM 322 CB HIS A 22 -4.772 -2.812 -9.296 1.00 0.00 C ATOM 323 CG HIS A 22 -5.329 -3.170 -7.937 1.00 0.00 C ATOM 324 ND1 HIS A 22 -6.627 -3.412 -7.733 1.00 0.00 N ATOM 325 CD2 HIS A 22 -4.716 -3.318 -6.716 1.00 0.00 C ATOM 326 CE1 HIS A 22 -6.816 -3.700 -6.436 1.00 0.00 C ATOM 327 NE2 HIS A 22 -5.668 -3.655 -5.762 1.00 0.00 N ATOM 0 H HIS A 22 -6.601 -1.471 -10.157 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.265 -0.848 -8.669 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.430 -3.235 -10.055 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.803 -3.299 -9.406 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -7.355 -3.383 -8.447 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.660 -3.192 -6.528 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -7.773 -3.937 -5.996 1.00 0.00 H new ATOM 335 N SER A 23 -3.931 -0.710 -11.848 1.00 0.00 N ATOM 336 CA SER A 23 -3.002 -0.395 -12.920 1.00 0.00 C ATOM 337 C SER A 23 -2.250 0.897 -12.598 1.00 0.00 C ATOM 338 O SER A 23 -1.036 0.976 -12.783 1.00 0.00 O ATOM 339 CB SER A 23 -3.730 -0.265 -14.259 1.00 0.00 C ATOM 340 OG SER A 23 -4.190 1.064 -14.491 1.00 0.00 O ATOM 0 H SER A 23 -4.915 -0.681 -12.114 1.00 0.00 H new ATOM 0 HA SER A 23 -2.287 -1.213 -13.004 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.060 -0.563 -15.066 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.577 -0.950 -14.279 1.00 0.00 H new ATOM 0 HG SER A 23 -4.648 1.105 -15.357 1.00 0.00 H new ATOM 346 N THR A 24 -3.001 1.879 -12.120 1.00 0.00 N ATOM 347 CA THR A 24 -2.419 3.164 -11.771 1.00 0.00 C ATOM 348 C THR A 24 -1.698 3.074 -10.424 1.00 0.00 C ATOM 349 O THR A 24 -1.097 4.043 -9.965 1.00 0.00 O ATOM 350 CB THR A 24 -3.536 4.209 -11.793 1.00 0.00 C ATOM 351 OG1 THR A 24 -4.399 3.819 -10.729 1.00 0.00 O ATOM 352 CG2 THR A 24 -4.413 4.103 -13.042 1.00 0.00 C ATOM 0 H THR A 24 -4.007 1.810 -11.966 1.00 0.00 H new ATOM 0 HA THR A 24 -1.659 3.464 -12.492 1.00 0.00 H new ATOM 0 HB THR A 24 -3.100 5.206 -11.739 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.341 2.849 -10.599 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.190 4.867 -13.007 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.799 4.249 -13.931 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.876 3.117 -13.079 1.00 0.00 H new ATOM 360 N HIS A 25 -1.780 1.888 -9.819 1.00 0.00 N ATOM 361 CA HIS A 25 -1.155 1.613 -8.530 1.00 0.00 C ATOM 362 C HIS A 25 -0.599 0.177 -8.518 1.00 0.00 C ATOM 363 O HIS A 25 -0.822 -0.564 -7.562 1.00 0.00 O ATOM 364 CB HIS A 25 -2.168 1.907 -7.414 1.00 0.00 C ATOM 365 CG HIS A 25 -2.768 3.294 -7.390 1.00 0.00 C ATOM 366 ND1 HIS A 25 -3.813 3.640 -8.147 1.00 0.00 N ATOM 367 CD2 HIS A 25 -2.431 4.415 -6.669 1.00 0.00 C ATOM 368 CE1 HIS A 25 -4.116 4.926 -7.908 1.00 0.00 C ATOM 369 NE2 HIS A 25 -3.293 5.452 -7.003 1.00 0.00 N ATOM 0 H HIS A 25 -2.283 1.092 -10.212 1.00 0.00 H new ATOM 0 HA HIS A 25 -0.298 2.264 -8.354 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.981 1.186 -7.494 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.679 1.731 -6.456 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -4.301 3.027 -8.800 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.623 4.479 -5.955 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.921 5.463 -8.387 1.00 0.00 H new ATOM 377 N LYS A 26 0.111 -0.165 -9.583 1.00 0.00 N ATOM 378 CA LYS A 26 0.695 -1.490 -9.699 1.00 0.00 C ATOM 379 C LYS A 26 2.204 -1.400 -9.465 1.00 0.00 C ATOM 380 O LYS A 26 2.915 -2.397 -9.583 1.00 0.00 O ATOM 381 CB LYS A 26 0.317 -2.127 -11.038 1.00 0.00 C ATOM 382 CG LYS A 26 -0.791 -3.166 -10.858 1.00 0.00 C ATOM 383 CD LYS A 26 -0.220 -4.585 -10.872 1.00 0.00 C ATOM 384 CE LYS A 26 -0.923 -5.449 -11.920 1.00 0.00 C ATOM 385 NZ LYS A 26 0.034 -6.391 -12.542 1.00 0.00 N ATOM 0 H LYS A 26 0.295 0.453 -10.373 1.00 0.00 H new ATOM 0 HA LYS A 26 0.292 -2.152 -8.932 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.014 -1.354 -11.732 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.194 -2.599 -11.481 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.311 -2.989 -9.917 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.528 -3.059 -11.654 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.849 -4.549 -11.083 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.335 -5.037 -9.887 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.738 -6.004 -11.455 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.366 -4.813 -12.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.460 -6.970 -13.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.798 -5.856 -13.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.437 -7.010 -11.810 1.00 0.00 H new ATOM 399 N SER A 27 2.649 -0.196 -9.138 1.00 0.00 N ATOM 400 CA SER A 27 4.062 0.037 -8.887 1.00 0.00 C ATOM 401 C SER A 27 4.274 0.437 -7.426 1.00 0.00 C ATOM 402 O SER A 27 5.192 1.194 -7.112 1.00 0.00 O ATOM 403 CB SER A 27 4.616 1.117 -9.818 1.00 0.00 C ATOM 404 OG SER A 27 3.661 1.520 -10.797 1.00 0.00 O ATOM 0 H SER A 27 2.057 0.629 -9.041 1.00 0.00 H new ATOM 0 HA SER A 27 4.602 -0.889 -9.086 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.919 1.983 -9.229 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.510 0.742 -10.316 1.00 0.00 H new ATOM 0 HG SER A 27 4.052 2.212 -11.370 1.00 0.00 H new ATOM 410 N VAL A 28 3.411 -0.090 -6.570 1.00 0.00 N ATOM 411 CA VAL A 28 3.492 0.202 -5.149 1.00 0.00 C ATOM 412 C VAL A 28 3.300 -1.092 -4.355 1.00 0.00 C ATOM 413 O VAL A 28 2.519 -1.957 -4.750 1.00 0.00 O ATOM 414 CB VAL A 28 2.479 1.287 -4.779 1.00 0.00 C ATOM 415 CG1 VAL A 28 2.319 1.392 -3.261 1.00 0.00 C ATOM 416 CG2 VAL A 28 2.875 2.635 -5.383 1.00 0.00 C ATOM 0 H VAL A 28 2.652 -0.718 -6.833 1.00 0.00 H new ATOM 0 HA VAL A 28 4.476 0.596 -4.895 1.00 0.00 H new ATOM 0 HB VAL A 28 1.514 1.002 -5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.594 2.170 -3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.970 0.438 -2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.279 1.642 -2.810 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.138 3.389 -5.105 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.855 2.929 -5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.914 2.550 -6.469 1.00 0.00 H new ATOM 426 N LYS A 29 4.024 -1.184 -3.249 1.00 0.00 N ATOM 427 CA LYS A 29 3.943 -2.357 -2.396 1.00 0.00 C ATOM 428 C LYS A 29 2.498 -2.543 -1.929 1.00 0.00 C ATOM 429 O LYS A 29 1.898 -1.624 -1.375 1.00 0.00 O ATOM 430 CB LYS A 29 4.952 -2.257 -1.250 1.00 0.00 C ATOM 431 CG LYS A 29 5.661 -3.595 -1.026 1.00 0.00 C ATOM 432 CD LYS A 29 5.971 -3.809 0.457 1.00 0.00 C ATOM 433 CE LYS A 29 7.181 -4.728 0.637 1.00 0.00 C ATOM 434 NZ LYS A 29 7.550 -4.825 2.067 1.00 0.00 N ATOM 0 H LYS A 29 4.670 -0.465 -2.924 1.00 0.00 H new ATOM 0 HA LYS A 29 4.217 -3.253 -2.953 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.688 -1.485 -1.475 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.441 -1.954 -0.336 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.034 -4.409 -1.391 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.586 -3.622 -1.602 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.165 -2.848 0.934 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.103 -4.242 0.955 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.953 -5.720 0.246 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.025 -4.345 0.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.373 -5.452 2.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.787 -3.879 2.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.749 -5.211 2.607 1.00 0.00 H new ATOM 448 N CYS A 30 1.981 -3.739 -2.170 1.00 0.00 N ATOM 449 CA CYS A 30 0.618 -4.058 -1.781 1.00 0.00 C ATOM 450 C CYS A 30 0.469 -3.779 -0.284 1.00 0.00 C ATOM 451 O CYS A 30 -0.637 -3.540 0.199 1.00 0.00 O ATOM 452 CB CYS A 30 0.253 -5.502 -2.131 1.00 0.00 C ATOM 453 SG CYS A 30 0.966 -6.114 -3.702 1.00 0.00 S ATOM 0 H CYS A 30 2.482 -4.499 -2.630 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.078 -3.431 -2.338 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.583 -6.152 -1.321 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.833 -5.585 -2.184 1.00 0.00 H new ATOM 458 N GLY A 31 1.598 -3.819 0.409 1.00 0.00 N ATOM 459 CA GLY A 31 1.606 -3.574 1.841 1.00 0.00 C ATOM 460 C GLY A 31 1.428 -2.085 2.143 1.00 0.00 C ATOM 461 O GLY A 31 1.366 -1.687 3.306 1.00 0.00 O ATOM 0 H GLY A 31 2.513 -4.017 0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.807 -4.143 2.315 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.545 -3.926 2.269 1.00 0.00 H new ATOM 465 N ASP A 32 1.350 -1.302 1.077 1.00 0.00 N ATOM 466 CA ASP A 32 1.181 0.134 1.214 1.00 0.00 C ATOM 467 C ASP A 32 -0.304 0.452 1.403 1.00 0.00 C ATOM 468 O ASP A 32 -0.658 1.346 2.171 1.00 0.00 O ATOM 469 CB ASP A 32 1.665 0.868 -0.038 1.00 0.00 C ATOM 470 CG ASP A 32 2.086 2.321 0.186 1.00 0.00 C ATOM 471 OD1 ASP A 32 1.261 3.070 0.752 1.00 0.00 O ATOM 472 OD2 ASP A 32 3.224 2.651 -0.213 1.00 0.00 O ATOM 0 H ASP A 32 1.401 -1.635 0.114 1.00 0.00 H new ATOM 0 HA ASP A 32 1.766 0.462 2.073 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.510 0.321 -0.457 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.870 0.847 -0.783 1.00 0.00 H new ATOM 477 N CYS A 33 -1.132 -0.296 0.690 1.00 0.00 N ATOM 478 CA CYS A 33 -2.571 -0.105 0.770 1.00 0.00 C ATOM 479 C CYS A 33 -3.149 -1.190 1.680 1.00 0.00 C ATOM 480 O CYS A 33 -3.972 -0.910 2.549 1.00 0.00 O ATOM 481 CB CYS A 33 -3.220 -0.116 -0.616 1.00 0.00 C ATOM 482 SG CYS A 33 -3.447 1.598 -1.215 1.00 0.00 S ATOM 0 H CYS A 33 -0.835 -1.036 0.054 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.788 0.876 1.193 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.596 -0.674 -1.314 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.183 -0.625 -0.572 1.00 0.00 H new ATOM 487 N HIS A 34 -2.694 -2.421 1.450 1.00 0.00 N ATOM 488 CA HIS A 34 -3.130 -3.583 2.217 1.00 0.00 C ATOM 489 C HIS A 34 -2.147 -3.842 3.374 1.00 0.00 C ATOM 490 O HIS A 34 -1.320 -4.748 3.299 1.00 0.00 O ATOM 491 CB HIS A 34 -3.307 -4.772 1.260 1.00 0.00 C ATOM 492 CG HIS A 34 -4.231 -4.565 0.083 1.00 0.00 C ATOM 493 ND1 HIS A 34 -5.560 -4.514 0.211 1.00 0.00 N ATOM 494 CD2 HIS A 34 -3.969 -4.396 -1.256 1.00 0.00 C ATOM 495 CE1 HIS A 34 -6.106 -4.322 -1.000 1.00 0.00 C ATOM 496 NE2 HIS A 34 -5.168 -4.242 -1.942 1.00 0.00 N ATOM 0 H HIS A 34 -2.011 -2.639 0.724 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.099 -3.411 2.685 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.325 -5.049 0.877 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.675 -5.621 1.836 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -6.076 -4.606 1.086 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.986 -4.385 -1.704 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.167 -4.243 -1.186 1.00 0.00 H new ATOM 504 N HIS A 35 -2.273 -3.027 4.422 1.00 0.00 N ATOM 505 CA HIS A 35 -1.429 -3.126 5.607 1.00 0.00 C ATOM 506 C HIS A 35 -1.758 -4.419 6.374 1.00 0.00 C ATOM 507 O HIS A 35 -2.859 -4.959 6.289 1.00 0.00 O ATOM 508 CB HIS A 35 -1.584 -1.842 6.436 1.00 0.00 C ATOM 509 CG HIS A 35 -2.876 -1.680 7.202 1.00 0.00 C ATOM 510 ND1 HIS A 35 -3.244 -2.517 8.177 1.00 0.00 N ATOM 511 CD2 HIS A 35 -3.878 -0.745 7.103 1.00 0.00 C ATOM 512 CE1 HIS A 35 -4.429 -2.119 8.666 1.00 0.00 C ATOM 513 NE2 HIS A 35 -4.866 -1.028 8.038 1.00 0.00 N ATOM 0 H HIS A 35 -2.965 -2.279 4.470 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.375 -3.201 5.341 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.759 -1.794 7.147 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.477 -0.989 5.766 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -2.711 -3.326 8.497 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.895 0.081 6.407 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.959 -2.618 9.464 1.00 0.00 H new ATOM 521 N PRO A 36 -0.770 -4.902 7.130 1.00 0.00 N ATOM 522 CA PRO A 36 -0.869 -6.102 7.933 1.00 0.00 C ATOM 523 C PRO A 36 -1.708 -5.821 9.171 1.00 0.00 C ATOM 524 O PRO A 36 -1.317 -4.975 9.974 1.00 0.00 O ATOM 525 CB PRO A 36 0.572 -6.439 8.313 1.00 0.00 C ATOM 526 CG PRO A 36 1.283 -5.161 8.264 1.00 0.00 C ATOM 527 CD PRO A 36 0.537 -4.293 7.254 1.00 0.00 C ATOM 0 HA PRO A 36 -1.348 -6.927 7.405 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.625 -6.883 9.307 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.005 -7.159 7.619 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.300 -4.688 9.246 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.320 -5.305 7.962 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.461 -3.262 7.600 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.054 -4.270 6.295 1.00 0.00 H new ATOM 535 N VAL A 37 -2.827 -6.518 9.301 1.00 0.00 N ATOM 536 CA VAL A 37 -3.701 -6.324 10.445 1.00 0.00 C ATOM 537 C VAL A 37 -3.727 -7.603 11.284 1.00 0.00 C ATOM 538 O VAL A 37 -3.614 -8.705 10.748 1.00 0.00 O ATOM 539 CB VAL A 37 -5.091 -5.890 9.975 1.00 0.00 C ATOM 540 CG1 VAL A 37 -5.787 -5.036 11.037 1.00 0.00 C ATOM 541 CG2 VAL A 37 -5.010 -5.147 8.640 1.00 0.00 C ATOM 0 H VAL A 37 -3.149 -7.218 8.633 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.323 -5.524 11.082 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.690 -6.788 9.823 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.773 -4.741 10.678 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.893 -5.613 11.956 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.191 -4.145 11.235 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.011 -4.849 8.328 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.387 -4.260 8.754 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.574 -5.802 7.885 1.00 0.00 H new ATOM 551 N ASN A 38 -3.876 -7.416 12.587 1.00 0.00 N ATOM 552 CA ASN A 38 -3.918 -8.541 13.506 1.00 0.00 C ATOM 553 C ASN A 38 -2.832 -9.548 13.122 1.00 0.00 C ATOM 554 O ASN A 38 -2.974 -10.744 13.370 1.00 0.00 O ATOM 555 CB ASN A 38 -5.270 -9.255 13.440 1.00 0.00 C ATOM 556 CG ASN A 38 -6.001 -9.170 14.782 1.00 0.00 C ATOM 557 OD1 ASN A 38 -6.571 -10.131 15.269 1.00 0.00 O ATOM 558 ND2 ASN A 38 -5.952 -7.967 15.349 1.00 0.00 N ATOM 0 H ASN A 38 -3.969 -6.501 13.029 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.760 -8.159 14.515 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.884 -8.807 12.658 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.121 -10.300 13.169 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.410 -7.807 16.246 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.457 -7.205 14.886 1.00 0.00 H new ATOM 565 N GLY A 39 -1.772 -9.026 12.522 1.00 0.00 N ATOM 566 CA GLY A 39 -0.663 -9.865 12.101 1.00 0.00 C ATOM 567 C GLY A 39 -1.097 -10.841 11.006 1.00 0.00 C ATOM 568 O GLY A 39 -0.983 -12.054 11.170 1.00 0.00 O ATOM 0 H GLY A 39 -1.658 -8.033 12.318 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.151 -9.240 11.734 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.278 -10.420 12.956 1.00 0.00 H new ATOM 572 N LYS A 40 -1.587 -10.274 9.913 1.00 0.00 N ATOM 573 CA LYS A 40 -2.039 -11.078 8.791 1.00 0.00 C ATOM 574 C LYS A 40 -2.545 -10.157 7.679 1.00 0.00 C ATOM 575 O LYS A 40 -3.648 -9.619 7.768 1.00 0.00 O ATOM 576 CB LYS A 40 -3.071 -12.109 9.252 1.00 0.00 C ATOM 577 CG LYS A 40 -3.908 -12.613 8.074 1.00 0.00 C ATOM 578 CD LYS A 40 -5.089 -13.455 8.561 1.00 0.00 C ATOM 579 CE LYS A 40 -5.207 -14.750 7.755 1.00 0.00 C ATOM 580 NZ LYS A 40 -4.286 -15.779 8.288 1.00 0.00 N ATOM 0 H LYS A 40 -1.681 -9.267 9.781 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.211 -11.653 8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.564 -12.948 9.728 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.724 -11.664 10.003 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.275 -11.765 7.495 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.283 -13.208 7.407 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.962 -13.690 9.618 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.011 -12.881 8.471 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.233 -15.117 7.793 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.977 -14.555 6.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.379 -16.651 7.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.307 -15.433 8.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.524 -15.977 9.281 1.00 0.00 H new ATOM 594 N GLU A 41 -1.715 -10.003 6.658 1.00 0.00 N ATOM 595 CA GLU A 41 -2.064 -9.156 5.531 1.00 0.00 C ATOM 596 C GLU A 41 -3.566 -9.235 5.252 1.00 0.00 C ATOM 597 O GLU A 41 -4.106 -10.320 5.043 1.00 0.00 O ATOM 598 CB GLU A 41 -1.255 -9.535 4.288 1.00 0.00 C ATOM 599 CG GLU A 41 0.042 -8.727 4.211 1.00 0.00 C ATOM 600 CD GLU A 41 1.035 -9.376 3.244 1.00 0.00 C ATOM 601 OE1 GLU A 41 1.758 -10.288 3.701 1.00 0.00 O ATOM 602 OE2 GLU A 41 1.048 -8.946 2.071 1.00 0.00 O ATOM 0 H GLU A 41 -0.801 -10.451 6.588 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.815 -8.126 5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.023 -10.600 4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.852 -9.358 3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.177 -7.710 3.885 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.489 -8.654 5.203 1.00 0.00 H new ATOM 609 N ASP A 42 -4.199 -8.071 5.259 1.00 0.00 N ATOM 610 CA ASP A 42 -5.629 -7.995 5.010 1.00 0.00 C ATOM 611 C ASP A 42 -5.871 -7.323 3.657 1.00 0.00 C ATOM 612 O ASP A 42 -5.225 -6.344 3.289 1.00 0.00 O ATOM 613 CB ASP A 42 -6.332 -7.163 6.084 1.00 0.00 C ATOM 614 CG ASP A 42 -7.860 -7.191 6.027 1.00 0.00 C ATOM 615 OD1 ASP A 42 -8.404 -6.583 5.079 1.00 0.00 O ATOM 616 OD2 ASP A 42 -8.451 -7.820 6.931 1.00 0.00 O ATOM 0 H ASP A 42 -3.748 -7.173 5.433 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.028 -9.009 5.022 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.014 -7.519 7.064 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.999 -6.129 5.997 1.00 0.00 H new ATOM 621 N TYR A 43 -6.832 -7.879 2.915 1.00 0.00 N ATOM 622 CA TYR A 43 -7.182 -7.361 1.608 1.00 0.00 C ATOM 623 C TYR A 43 -8.689 -7.168 1.515 1.00 0.00 C ATOM 624 O TYR A 43 -9.197 -6.978 0.411 1.00 0.00 O ATOM 625 CB TYR A 43 -6.693 -8.327 0.532 1.00 0.00 C ATOM 626 CG TYR A 43 -5.228 -8.173 0.204 1.00 0.00 C ATOM 627 CD1 TYR A 43 -4.261 -8.400 1.191 1.00 0.00 C ATOM 628 CD2 TYR A 43 -4.835 -7.802 -1.088 1.00 0.00 C ATOM 629 CE1 TYR A 43 -2.902 -8.257 0.886 1.00 0.00 C ATOM 630 CE2 TYR A 43 -3.476 -7.659 -1.393 1.00 0.00 C ATOM 631 CZ TYR A 43 -2.510 -7.886 -0.405 1.00 0.00 C ATOM 632 OH TYR A 43 -1.186 -7.746 -0.702 1.00 0.00 O ATOM 0 H TYR A 43 -7.378 -8.690 3.206 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.703 -6.394 1.456 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.878 -9.349 0.862 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -7.278 -8.174 -0.375 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.564 -8.685 2.188 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.581 -7.626 -1.849 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.156 -8.433 1.647 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.173 -7.374 -2.390 1.00 0.00 H new ATOM 0 HH TYR A 43 -1.038 -7.961 -1.647 1.00 0.00 H new ATOM 642 N ARG A 44 -9.364 -7.217 2.654 1.00 0.00 N ATOM 643 CA ARG A 44 -10.807 -7.045 2.677 1.00 0.00 C ATOM 644 C ARG A 44 -11.163 -5.557 2.662 1.00 0.00 C ATOM 645 O ARG A 44 -10.279 -4.702 2.693 1.00 0.00 O ATOM 646 CB ARG A 44 -11.420 -7.698 3.917 1.00 0.00 C ATOM 647 CG ARG A 44 -10.542 -8.843 4.425 1.00 0.00 C ATOM 648 CD ARG A 44 -11.376 -9.881 5.178 1.00 0.00 C ATOM 649 NE ARG A 44 -10.809 -10.104 6.527 1.00 0.00 N ATOM 650 CZ ARG A 44 -11.511 -10.593 7.571 1.00 0.00 C ATOM 651 NH1 ARG A 44 -12.815 -10.915 7.431 1.00 0.00 N ATOM 652 NH2 ARG A 44 -10.904 -10.751 8.733 1.00 0.00 N ATOM 0 H ARG A 44 -8.938 -7.373 3.568 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.214 -7.528 1.789 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.541 -6.952 4.703 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.415 -8.076 3.679 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -10.036 -9.318 3.585 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -9.767 -8.448 5.082 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.408 -9.540 5.260 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.393 -10.818 4.622 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.827 -9.874 6.677 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -13.278 -10.789 6.531 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -13.337 -11.284 8.226 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.919 -10.505 8.832 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -11.420 -11.119 9.532 1.00 0.00 H new ATOM 665 N LYS A 45 -12.461 -5.293 2.616 1.00 0.00 N ATOM 666 CA LYS A 45 -12.946 -3.923 2.597 1.00 0.00 C ATOM 667 C LYS A 45 -12.219 -3.115 3.674 1.00 0.00 C ATOM 668 O LYS A 45 -12.088 -3.565 4.811 1.00 0.00 O ATOM 669 CB LYS A 45 -14.470 -3.893 2.730 1.00 0.00 C ATOM 670 CG LYS A 45 -15.116 -4.993 1.885 1.00 0.00 C ATOM 671 CD LYS A 45 -16.390 -4.487 1.207 1.00 0.00 C ATOM 672 CE LYS A 45 -17.005 -5.570 0.319 1.00 0.00 C ATOM 673 NZ LYS A 45 -16.338 -5.598 -1.002 1.00 0.00 N ATOM 0 H LYS A 45 -13.191 -6.004 2.591 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.723 -3.453 1.639 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.750 -4.021 3.776 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.847 -2.920 2.416 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.410 -5.338 1.129 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.351 -5.850 2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.111 -4.179 1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.162 -3.606 0.607 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.909 -6.542 0.802 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -18.071 -5.382 0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.768 -6.339 -1.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.451 -4.675 -1.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.326 -5.800 -0.876 1.00 0.00 H new ATOM 687 N CYS A 46 -11.764 -1.936 3.277 1.00 0.00 N ATOM 688 CA CYS A 46 -11.053 -1.060 4.194 1.00 0.00 C ATOM 689 C CYS A 46 -12.018 -0.644 5.306 1.00 0.00 C ATOM 690 O CYS A 46 -11.594 -0.349 6.422 1.00 0.00 O ATOM 691 CB CYS A 46 -10.457 0.150 3.473 1.00 0.00 C ATOM 692 SG CYS A 46 -9.219 -0.255 2.187 1.00 0.00 S ATOM 0 H CYS A 46 -11.874 -1.566 2.333 1.00 0.00 H new ATOM 0 HA CYS A 46 -10.208 -1.593 4.629 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -11.267 0.716 3.012 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.992 0.803 4.212 1.00 0.00 H new ATOM 697 N GLY A 47 -13.298 -0.634 4.962 1.00 0.00 N ATOM 698 CA GLY A 47 -14.326 -0.259 5.918 1.00 0.00 C ATOM 699 C GLY A 47 -15.270 -1.431 6.195 1.00 0.00 C ATOM 700 O GLY A 47 -16.490 -1.275 6.147 1.00 0.00 O ATOM 0 H GLY A 47 -13.646 -0.879 4.035 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.861 0.066 6.849 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.895 0.588 5.533 1.00 0.00 H new ATOM 704 N THR A 48 -14.671 -2.578 6.480 1.00 0.00 N ATOM 705 CA THR A 48 -15.443 -3.775 6.766 1.00 0.00 C ATOM 706 C THR A 48 -15.615 -3.951 8.276 1.00 0.00 C ATOM 707 O THR A 48 -14.741 -3.569 9.052 1.00 0.00 O ATOM 708 CB THR A 48 -14.747 -4.958 6.091 1.00 0.00 C ATOM 709 OG1 THR A 48 -15.706 -5.436 5.152 1.00 0.00 O ATOM 710 CG2 THR A 48 -14.540 -6.137 7.044 1.00 0.00 C ATOM 0 H THR A 48 -13.660 -2.704 6.519 1.00 0.00 H new ATOM 0 HA THR A 48 -16.453 -3.700 6.363 1.00 0.00 H new ATOM 0 HB THR A 48 -13.783 -4.635 5.698 1.00 0.00 H new ATOM 0 HG1 THR A 48 -15.336 -6.203 4.668 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.042 -6.950 6.515 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.924 -5.821 7.885 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.507 -6.482 7.412 1.00 0.00 H new ATOM 718 N ALA A 49 -16.747 -4.530 8.646 1.00 0.00 N ATOM 719 CA ALA A 49 -17.045 -4.762 10.050 1.00 0.00 C ATOM 720 C ALA A 49 -15.828 -5.396 10.727 1.00 0.00 C ATOM 721 O ALA A 49 -15.275 -6.374 10.227 1.00 0.00 O ATOM 722 CB ALA A 49 -18.298 -5.633 10.169 1.00 0.00 C ATOM 0 H ALA A 49 -17.469 -4.846 7.999 1.00 0.00 H new ATOM 0 HA ALA A 49 -17.253 -3.821 10.559 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.522 -5.807 11.222 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.140 -5.125 9.698 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.126 -6.588 9.672 1.00 0.00 H new ATOM 728 N GLY A 50 -15.447 -4.812 11.853 1.00 0.00 N ATOM 729 CA GLY A 50 -14.306 -5.307 12.604 1.00 0.00 C ATOM 730 C GLY A 50 -13.045 -4.503 12.280 1.00 0.00 C ATOM 731 O GLY A 50 -11.936 -4.924 12.603 1.00 0.00 O ATOM 0 H GLY A 50 -15.908 -4.000 12.264 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.515 -5.247 13.672 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.141 -6.359 12.370 1.00 0.00 H new ATOM 735 N CYS A 51 -13.258 -3.359 11.645 1.00 0.00 N ATOM 736 CA CYS A 51 -12.153 -2.492 11.273 1.00 0.00 C ATOM 737 C CYS A 51 -12.660 -1.049 11.254 1.00 0.00 C ATOM 738 O CYS A 51 -13.340 -0.607 12.179 1.00 0.00 O ATOM 739 CB CYS A 51 -11.541 -2.900 9.931 1.00 0.00 C ATOM 740 SG CYS A 51 -11.215 -4.700 9.913 1.00 0.00 S ATOM 0 H CYS A 51 -14.180 -3.013 11.379 1.00 0.00 H new ATOM 0 HA CYS A 51 -11.352 -2.585 12.006 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -12.218 -2.637 9.118 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -10.614 -2.352 9.763 1.00 0.00 H new ATOM 745 N HIS A 52 -12.308 -0.342 10.180 1.00 0.00 N ATOM 746 CA HIS A 52 -12.699 1.050 9.985 1.00 0.00 C ATOM 747 C HIS A 52 -14.213 1.134 9.721 1.00 0.00 C ATOM 748 O HIS A 52 -14.646 1.044 8.573 1.00 0.00 O ATOM 749 CB HIS A 52 -11.829 1.660 8.876 1.00 0.00 C ATOM 750 CG HIS A 52 -10.333 1.509 9.026 1.00 0.00 C ATOM 751 ND1 HIS A 52 -9.606 2.298 9.823 1.00 0.00 N ATOM 752 CD2 HIS A 52 -9.448 0.629 8.449 1.00 0.00 C ATOM 753 CE1 HIS A 52 -8.319 1.925 9.746 1.00 0.00 C ATOM 754 NE2 HIS A 52 -8.165 0.898 8.912 1.00 0.00 N ATOM 0 H HIS A 52 -11.743 -0.721 9.420 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.523 1.643 10.882 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -12.123 1.211 7.927 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -12.059 2.723 8.810 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.970 3.059 10.396 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.709 -0.149 7.747 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.513 2.396 10.289 1.00 0.00 H new ATOM 762 N ASP A 53 -14.968 1.305 10.797 1.00 0.00 N ATOM 763 CA ASP A 53 -16.413 1.401 10.689 1.00 0.00 C ATOM 764 C ASP A 53 -16.856 2.813 11.080 1.00 0.00 C ATOM 765 O ASP A 53 -18.028 3.039 11.378 1.00 0.00 O ATOM 766 CB ASP A 53 -17.103 0.412 11.630 1.00 0.00 C ATOM 767 CG ASP A 53 -17.252 0.891 13.076 1.00 0.00 C ATOM 768 OD1 ASP A 53 -18.293 1.522 13.361 1.00 0.00 O ATOM 769 OD2 ASP A 53 -16.321 0.615 13.863 1.00 0.00 O ATOM 0 H ASP A 53 -14.605 1.379 11.747 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.690 1.173 9.660 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -18.093 0.187 11.234 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.540 -0.521 11.628 1.00 0.00 H new ATOM 774 N SER A 54 -15.896 3.726 11.064 1.00 0.00 N ATOM 775 CA SER A 54 -16.172 5.109 11.413 1.00 0.00 C ATOM 776 C SER A 54 -16.538 5.902 10.157 1.00 0.00 C ATOM 777 O SER A 54 -15.710 6.072 9.263 1.00 0.00 O ATOM 778 CB SER A 54 -14.974 5.749 12.115 1.00 0.00 C ATOM 779 OG SER A 54 -14.888 7.148 11.856 1.00 0.00 O ATOM 0 H SER A 54 -14.926 3.535 10.815 1.00 0.00 H new ATOM 0 HA SER A 54 -17.015 5.126 12.104 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.053 5.583 13.189 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.057 5.262 11.784 1.00 0.00 H new ATOM 0 HG SER A 54 -14.556 7.609 12.655 1.00 0.00 H new ATOM 785 N MET A 55 -17.779 6.366 10.129 1.00 0.00 N ATOM 786 CA MET A 55 -18.264 7.138 8.998 1.00 0.00 C ATOM 787 C MET A 55 -19.013 8.387 9.466 1.00 0.00 C ATOM 788 O MET A 55 -20.190 8.563 9.154 1.00 0.00 O ATOM 789 CB MET A 55 -19.197 6.270 8.151 1.00 0.00 C ATOM 790 CG MET A 55 -18.530 4.942 7.786 1.00 0.00 C ATOM 791 SD MET A 55 -18.340 4.821 6.015 1.00 0.00 S ATOM 792 CE MET A 55 -18.146 3.055 5.844 1.00 0.00 C ATOM 0 H MET A 55 -18.463 6.222 10.872 1.00 0.00 H new ATOM 0 HA MET A 55 -17.407 7.454 8.403 1.00 0.00 H new ATOM 0 HB2 MET A 55 -20.119 6.079 8.699 1.00 0.00 H new ATOM 0 HB3 MET A 55 -19.472 6.805 7.242 1.00 0.00 H new ATOM 0 HG2 MET A 55 -17.556 4.869 8.270 1.00 0.00 H new ATOM 0 HG3 MET A 55 -19.131 4.110 8.153 1.00 0.00 H new ATOM 0 HE1 MET A 55 -18.015 2.804 4.792 1.00 0.00 H new ATOM 0 HE2 MET A 55 -17.271 2.729 6.407 1.00 0.00 H new ATOM 0 HE3 MET A 55 -19.033 2.552 6.229 1.00 0.00 H new ATOM 802 N ASP A 56 -18.301 9.222 10.208 1.00 0.00 N ATOM 803 CA ASP A 56 -18.883 10.449 10.723 1.00 0.00 C ATOM 804 C ASP A 56 -17.860 11.580 10.612 1.00 0.00 C ATOM 805 O ASP A 56 -16.838 11.435 9.942 1.00 0.00 O ATOM 806 CB ASP A 56 -19.266 10.301 12.197 1.00 0.00 C ATOM 807 CG ASP A 56 -20.477 11.126 12.637 1.00 0.00 C ATOM 808 OD1 ASP A 56 -20.267 12.314 12.962 1.00 0.00 O ATOM 809 OD2 ASP A 56 -21.586 10.549 12.637 1.00 0.00 O ATOM 0 H ASP A 56 -17.325 9.073 10.465 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.776 10.669 10.139 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -19.469 9.249 12.400 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.410 10.585 12.809 1.00 0.00 H new ATOM 814 N LYS A 57 -18.168 12.683 11.279 1.00 0.00 N ATOM 815 CA LYS A 57 -17.288 13.839 11.263 1.00 0.00 C ATOM 816 C LYS A 57 -16.877 14.181 12.697 1.00 0.00 C ATOM 817 O LYS A 57 -17.540 14.975 13.363 1.00 0.00 O ATOM 818 CB LYS A 57 -17.944 15.002 10.517 1.00 0.00 C ATOM 819 CG LYS A 57 -16.909 15.788 9.709 1.00 0.00 C ATOM 820 CD LYS A 57 -15.573 15.858 10.450 1.00 0.00 C ATOM 821 CE LYS A 57 -14.746 17.056 9.979 1.00 0.00 C ATOM 822 NZ LYS A 57 -13.621 17.306 10.908 1.00 0.00 N ATOM 0 H LYS A 57 -19.016 12.800 11.834 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.374 13.614 10.714 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -18.718 14.621 9.851 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -18.435 15.665 11.229 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.766 15.315 8.737 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -17.278 16.796 9.522 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.752 15.934 11.523 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.013 14.938 10.285 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.363 16.869 8.976 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.379 17.941 9.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.070 18.122 10.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.993 17.505 11.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.008 16.466 10.945 1.00 0.00 H new ATOM 836 N LYS A 58 -15.787 13.565 13.129 1.00 0.00 N ATOM 837 CA LYS A 58 -15.281 13.795 14.472 1.00 0.00 C ATOM 838 C LYS A 58 -14.174 12.783 14.775 1.00 0.00 C ATOM 839 O LYS A 58 -12.995 13.131 14.786 1.00 0.00 O ATOM 840 CB LYS A 58 -16.425 13.778 15.486 1.00 0.00 C ATOM 841 CG LYS A 58 -16.649 15.168 16.085 1.00 0.00 C ATOM 842 CD LYS A 58 -17.419 15.080 17.404 1.00 0.00 C ATOM 843 CE LYS A 58 -18.309 16.308 17.602 1.00 0.00 C ATOM 844 NZ LYS A 58 -18.932 16.286 18.944 1.00 0.00 N ATOM 0 H LYS A 58 -15.240 12.907 12.574 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.836 14.787 14.547 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -17.339 13.435 15.002 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -16.200 13.068 16.281 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.688 15.655 16.253 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -17.201 15.788 15.378 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -18.031 14.178 17.413 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.717 14.997 18.234 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.717 17.216 17.484 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -19.084 16.330 16.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.533 17.127 19.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -19.513 15.429 19.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.189 16.287 19.672 1.00 0.00 H new ATOM 858 N ASP A 59 -14.594 11.549 15.013 1.00 0.00 N ATOM 859 CA ASP A 59 -13.654 10.483 15.316 1.00 0.00 C ATOM 860 C ASP A 59 -12.424 10.624 14.417 1.00 0.00 C ATOM 861 O ASP A 59 -12.552 10.781 13.204 1.00 0.00 O ATOM 862 CB ASP A 59 -14.275 9.110 15.055 1.00 0.00 C ATOM 863 CG ASP A 59 -13.271 7.985 14.796 1.00 0.00 C ATOM 864 OD1 ASP A 59 -12.663 7.527 15.787 1.00 0.00 O ATOM 865 OD2 ASP A 59 -13.134 7.608 13.612 1.00 0.00 O ATOM 0 H ASP A 59 -15.573 11.264 15.002 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.383 10.561 16.369 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.890 8.837 15.912 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.942 9.187 14.196 1.00 0.00 H new ATOM 870 N LYS A 60 -11.260 10.564 15.048 1.00 0.00 N ATOM 871 CA LYS A 60 -10.008 10.683 14.320 1.00 0.00 C ATOM 872 C LYS A 60 -9.127 9.471 14.628 1.00 0.00 C ATOM 873 O LYS A 60 -7.988 9.394 14.170 1.00 0.00 O ATOM 874 CB LYS A 60 -9.337 12.024 14.625 1.00 0.00 C ATOM 875 CG LYS A 60 -10.178 13.190 14.101 1.00 0.00 C ATOM 876 CD LYS A 60 -9.376 14.049 13.121 1.00 0.00 C ATOM 877 CE LYS A 60 -9.773 13.746 11.675 1.00 0.00 C ATOM 878 NZ LYS A 60 -9.117 12.505 11.206 1.00 0.00 N ATOM 0 H LYS A 60 -11.158 10.435 16.055 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.190 10.680 13.245 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.196 12.128 15.701 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.347 12.051 14.169 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.070 12.806 13.607 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.515 13.804 14.936 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.545 15.104 13.335 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.311 13.863 13.256 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.856 13.641 11.603 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.490 14.579 11.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.988 12.549 10.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.190 12.407 11.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.712 11.686 11.446 1.00 0.00 H new ATOM 892 N SER A 61 -9.688 8.553 15.402 1.00 0.00 N ATOM 893 CA SER A 61 -8.967 7.349 15.777 1.00 0.00 C ATOM 894 C SER A 61 -8.669 6.508 14.533 1.00 0.00 C ATOM 895 O SER A 61 -9.056 6.876 13.425 1.00 0.00 O ATOM 896 CB SER A 61 -9.760 6.527 16.795 1.00 0.00 C ATOM 897 OG SER A 61 -8.907 5.792 17.669 1.00 0.00 O ATOM 0 H SER A 61 -10.633 8.619 15.779 1.00 0.00 H new ATOM 0 HA SER A 61 -8.027 7.645 16.242 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.395 7.191 17.382 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.420 5.838 16.269 1.00 0.00 H new ATOM 0 HG SER A 61 -9.451 5.282 18.305 1.00 0.00 H new ATOM 903 N ALA A 62 -7.985 5.397 14.759 1.00 0.00 N ATOM 904 CA ALA A 62 -7.631 4.502 13.671 1.00 0.00 C ATOM 905 C ALA A 62 -8.908 3.964 13.023 1.00 0.00 C ATOM 906 O ALA A 62 -8.866 3.409 11.926 1.00 0.00 O ATOM 907 CB ALA A 62 -6.731 3.384 14.201 1.00 0.00 C ATOM 0 H ALA A 62 -7.666 5.096 15.680 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.071 5.035 12.903 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.466 2.713 13.384 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.824 3.817 14.624 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.261 2.825 14.972 1.00 0.00 H new ATOM 913 N LYS A 63 -10.014 4.147 13.729 1.00 0.00 N ATOM 914 CA LYS A 63 -11.301 3.686 13.236 1.00 0.00 C ATOM 915 C LYS A 63 -11.733 4.560 12.057 1.00 0.00 C ATOM 916 O LYS A 63 -12.348 4.071 11.110 1.00 0.00 O ATOM 917 CB LYS A 63 -12.324 3.639 14.373 1.00 0.00 C ATOM 918 CG LYS A 63 -12.193 2.342 15.175 1.00 0.00 C ATOM 919 CD LYS A 63 -12.092 2.633 16.674 1.00 0.00 C ATOM 920 CE LYS A 63 -11.460 1.456 17.420 1.00 0.00 C ATOM 921 NZ LYS A 63 -10.051 1.755 17.760 1.00 0.00 N ATOM 0 H LYS A 63 -10.046 4.608 14.638 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.223 2.664 12.865 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.180 4.495 15.032 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.331 3.718 13.964 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.054 1.702 14.982 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.309 1.795 14.847 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.496 3.532 16.834 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.085 2.833 17.077 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.024 1.249 18.330 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.509 0.558 16.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.637 0.946 18.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.513 1.930 16.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.012 2.599 18.366 1.00 0.00 H new ATOM 935 N GLY A 64 -11.395 5.837 12.152 1.00 0.00 N ATOM 936 CA GLY A 64 -11.740 6.783 11.105 1.00 0.00 C ATOM 937 C GLY A 64 -11.544 6.163 9.720 1.00 0.00 C ATOM 938 O GLY A 64 -10.460 5.718 9.350 1.00 0.00 O ATOM 0 H GLY A 64 -10.885 6.239 12.939 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.777 7.099 11.223 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.122 7.676 11.199 1.00 0.00 H new ATOM 942 N TYR A 65 -12.636 6.143 8.951 1.00 0.00 N ATOM 943 CA TYR A 65 -12.617 5.588 7.613 1.00 0.00 C ATOM 944 C TYR A 65 -11.997 6.588 6.648 1.00 0.00 C ATOM 945 O TYR A 65 -11.215 6.213 5.777 1.00 0.00 O ATOM 946 CB TYR A 65 -14.040 5.238 7.189 1.00 0.00 C ATOM 947 CG TYR A 65 -14.108 4.417 5.924 1.00 0.00 C ATOM 948 CD1 TYR A 65 -13.122 3.459 5.657 1.00 0.00 C ATOM 949 CD2 TYR A 65 -15.156 4.613 5.017 1.00 0.00 C ATOM 950 CE1 TYR A 65 -13.184 2.698 4.484 1.00 0.00 C ATOM 951 CE2 TYR A 65 -15.219 3.852 3.844 1.00 0.00 C ATOM 952 CZ TYR A 65 -14.233 2.894 3.577 1.00 0.00 C ATOM 953 OH TYR A 65 -14.294 2.152 2.434 1.00 0.00 O ATOM 0 H TYR A 65 -13.543 6.508 9.242 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.014 4.680 7.600 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -14.526 4.689 7.995 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.605 6.159 7.045 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.313 3.307 6.357 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.916 5.352 5.222 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -12.423 1.960 4.278 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.028 4.004 3.145 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.464 2.742 1.670 1.00 0.00 H new ATOM 963 N TYR A 66 -12.349 7.866 6.804 1.00 0.00 N ATOM 964 CA TYR A 66 -11.828 8.912 5.947 1.00 0.00 C ATOM 965 C TYR A 66 -10.494 9.407 6.489 1.00 0.00 C ATOM 966 O TYR A 66 -9.854 10.227 5.833 1.00 0.00 O ATOM 967 CB TYR A 66 -12.837 10.053 5.868 1.00 0.00 C ATOM 968 CG TYR A 66 -12.205 11.400 5.607 1.00 0.00 C ATOM 969 CD1 TYR A 66 -11.426 12.011 6.596 1.00 0.00 C ATOM 970 CD2 TYR A 66 -12.399 12.037 4.375 1.00 0.00 C ATOM 971 CE1 TYR A 66 -10.840 13.259 6.354 1.00 0.00 C ATOM 972 CE2 TYR A 66 -11.814 13.285 4.133 1.00 0.00 C ATOM 973 CZ TYR A 66 -11.035 13.897 5.122 1.00 0.00 C ATOM 974 OH TYR A 66 -10.465 15.113 4.887 1.00 0.00 O ATOM 0 H TYR A 66 -12.996 8.194 7.521 1.00 0.00 H new ATOM 0 HA TYR A 66 -11.666 8.518 4.944 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -13.555 9.838 5.077 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -13.396 10.098 6.802 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -11.277 11.520 7.546 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -13.000 11.565 3.612 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.238 13.730 7.117 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -11.964 13.776 3.183 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.698 15.415 3.984 1.00 0.00 H new ATOM 984 N HIS A 67 -10.107 8.911 7.655 1.00 0.00 N ATOM 985 CA HIS A 67 -8.850 9.318 8.260 1.00 0.00 C ATOM 986 C HIS A 67 -7.750 8.328 7.871 1.00 0.00 C ATOM 987 O HIS A 67 -6.569 8.583 8.107 1.00 0.00 O ATOM 988 CB HIS A 67 -9.001 9.471 9.775 1.00 0.00 C ATOM 989 CG HIS A 67 -7.707 9.327 10.539 1.00 0.00 C ATOM 990 ND1 HIS A 67 -6.870 10.396 10.806 1.00 0.00 N ATOM 991 CD2 HIS A 67 -7.115 8.228 11.091 1.00 0.00 C ATOM 992 CE1 HIS A 67 -5.825 9.950 11.487 1.00 0.00 C ATOM 993 NE2 HIS A 67 -5.979 8.606 11.662 1.00 0.00 N ATOM 0 H HIS A 67 -10.641 8.232 8.197 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.560 10.298 7.881 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.431 10.449 9.990 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.709 8.725 10.136 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -7.030 11.364 10.526 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.505 7.221 11.067 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.997 10.546 11.841 1.00 0.00 H new ATOM 1001 N VAL A 68 -8.175 7.221 7.282 1.00 0.00 N ATOM 1002 CA VAL A 68 -7.241 6.192 6.859 1.00 0.00 C ATOM 1003 C VAL A 68 -7.100 6.233 5.335 1.00 0.00 C ATOM 1004 O VAL A 68 -6.603 5.285 4.729 1.00 0.00 O ATOM 1005 CB VAL A 68 -7.694 4.827 7.380 1.00 0.00 C ATOM 1006 CG1 VAL A 68 -7.591 4.761 8.905 1.00 0.00 C ATOM 1007 CG2 VAL A 68 -9.114 4.504 6.912 1.00 0.00 C ATOM 0 H VAL A 68 -9.155 7.014 7.087 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.254 6.375 7.283 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.026 4.072 6.966 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.919 3.780 9.250 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.557 4.925 9.207 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.224 5.531 9.346 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.411 3.528 7.297 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.801 5.265 7.283 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.143 4.489 5.823 1.00 0.00 H new ATOM 1017 N MET A 69 -7.545 7.341 4.762 1.00 0.00 N ATOM 1018 CA MET A 69 -7.475 7.518 3.321 1.00 0.00 C ATOM 1019 C MET A 69 -7.433 9.002 2.953 1.00 0.00 C ATOM 1020 O MET A 69 -7.979 9.414 1.931 1.00 0.00 O ATOM 1021 CB MET A 69 -8.693 6.863 2.667 1.00 0.00 C ATOM 1022 CG MET A 69 -9.787 6.583 3.700 1.00 0.00 C ATOM 1023 SD MET A 69 -11.000 5.466 3.017 1.00 0.00 S ATOM 1024 CE MET A 69 -10.364 3.911 3.622 1.00 0.00 C ATOM 0 H MET A 69 -7.955 8.125 5.269 1.00 0.00 H new ATOM 0 HA MET A 69 -6.561 7.048 2.959 1.00 0.00 H new ATOM 0 HB2 MET A 69 -9.084 7.514 1.885 1.00 0.00 H new ATOM 0 HB3 MET A 69 -8.395 5.931 2.186 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.348 6.150 4.599 1.00 0.00 H new ATOM 0 HG3 MET A 69 -10.266 7.516 3.997 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.724 3.100 2.989 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.274 3.931 3.602 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.705 3.752 4.645 1.00 0.00 H new ATOM 1034 N HIS A 70 -6.774 9.778 3.813 1.00 0.00 N ATOM 1035 CA HIS A 70 -6.628 11.218 3.630 1.00 0.00 C ATOM 1036 C HIS A 70 -5.391 11.718 4.399 1.00 0.00 C ATOM 1037 O HIS A 70 -4.440 12.206 3.790 1.00 0.00 O ATOM 1038 CB HIS A 70 -7.942 11.906 4.030 1.00 0.00 C ATOM 1039 CG HIS A 70 -9.138 11.656 3.141 1.00 0.00 C ATOM 1040 ND1 HIS A 70 -10.032 10.695 3.392 1.00 0.00 N ATOM 1041 CD2 HIS A 70 -9.558 12.278 1.990 1.00 0.00 C ATOM 1042 CE1 HIS A 70 -10.972 10.717 2.435 1.00 0.00 C ATOM 1043 NE2 HIS A 70 -10.728 11.676 1.543 1.00 0.00 N ATOM 0 H HIS A 70 -6.326 9.423 4.658 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.448 11.471 2.585 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.198 11.589 5.041 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.765 12.981 4.068 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -10.004 10.050 4.182 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.057 13.105 1.508 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.816 10.045 2.393 1.00 0.00 H new ATOM 1051 N ASP A 71 -5.447 11.577 5.715 1.00 0.00 N ATOM 1052 CA ASP A 71 -4.346 12.007 6.561 1.00 0.00 C ATOM 1053 C ASP A 71 -3.058 11.321 6.102 1.00 0.00 C ATOM 1054 O ASP A 71 -3.095 10.419 5.266 1.00 0.00 O ATOM 1055 CB ASP A 71 -4.592 11.622 8.021 1.00 0.00 C ATOM 1056 CG ASP A 71 -5.055 12.769 8.923 1.00 0.00 C ATOM 1057 OD1 ASP A 71 -6.286 12.965 9.003 1.00 0.00 O ATOM 1058 OD2 ASP A 71 -4.166 13.422 9.511 1.00 0.00 O ATOM 0 H ASP A 71 -6.237 11.171 6.216 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.263 13.091 6.482 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.341 10.831 8.051 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.672 11.206 8.431 1.00 0.00 H new ATOM 1063 N LYS A 72 -1.950 11.775 6.668 1.00 0.00 N ATOM 1064 CA LYS A 72 -0.652 11.217 6.327 1.00 0.00 C ATOM 1065 C LYS A 72 0.068 10.792 7.609 1.00 0.00 C ATOM 1066 O LYS A 72 0.652 9.711 7.668 1.00 0.00 O ATOM 1067 CB LYS A 72 0.146 12.201 5.470 1.00 0.00 C ATOM 1068 CG LYS A 72 0.078 13.615 6.050 1.00 0.00 C ATOM 1069 CD LYS A 72 0.893 14.595 5.205 1.00 0.00 C ATOM 1070 CE LYS A 72 1.982 15.267 6.042 1.00 0.00 C ATOM 1071 NZ LYS A 72 2.785 16.188 5.206 1.00 0.00 N ATOM 0 H LYS A 72 -1.924 12.523 7.361 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.770 10.322 5.716 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.185 11.878 5.412 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.245 12.202 4.453 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.960 13.944 6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.455 13.611 7.073 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.348 14.067 4.367 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.233 15.354 4.784 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.528 15.817 6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.629 14.509 6.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.520 16.636 5.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.234 15.654 4.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.166 16.922 4.805 1.00 0.00 H new ATOM 1085 N ASN A 73 0.004 11.666 8.603 1.00 0.00 N ATOM 1086 CA ASN A 73 0.643 11.396 9.879 1.00 0.00 C ATOM 1087 C ASN A 73 0.327 9.962 10.309 1.00 0.00 C ATOM 1088 O ASN A 73 1.091 9.351 11.055 1.00 0.00 O ATOM 1089 CB ASN A 73 0.125 12.341 10.965 1.00 0.00 C ATOM 1090 CG ASN A 73 1.222 13.306 11.422 1.00 0.00 C ATOM 1091 OD1 ASN A 73 1.819 13.154 12.475 1.00 0.00 O ATOM 1092 ND2 ASN A 73 1.452 14.303 10.572 1.00 0.00 N ATOM 0 H ASN A 73 -0.481 12.562 8.550 1.00 0.00 H new ATOM 0 HA ASN A 73 1.716 11.542 9.757 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.726 12.906 10.585 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.232 11.761 11.816 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.165 15.000 10.785 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.915 14.370 9.707 1.00 0.00 H new ATOM 1099 N THR A 74 -0.801 9.467 9.821 1.00 0.00 N ATOM 1100 CA THR A 74 -1.228 8.117 10.146 1.00 0.00 C ATOM 1101 C THR A 74 -0.032 7.162 10.130 1.00 0.00 C ATOM 1102 O THR A 74 1.015 7.482 9.572 1.00 0.00 O ATOM 1103 CB THR A 74 -2.334 7.722 9.165 1.00 0.00 C ATOM 1104 OG1 THR A 74 -1.805 8.067 7.888 1.00 0.00 O ATOM 1105 CG2 THR A 74 -3.579 8.600 9.303 1.00 0.00 C ATOM 0 H THR A 74 -1.432 9.977 9.203 1.00 0.00 H new ATOM 0 HA THR A 74 -1.635 8.063 11.156 1.00 0.00 H new ATOM 0 HB THR A 74 -2.606 6.679 9.325 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.173 7.377 7.598 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.333 8.278 8.585 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.978 8.509 10.313 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.314 9.640 9.110 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.230 6.008 10.751 1.00 0.00 N ATOM 1114 CA LYS A 75 0.819 5.004 10.815 1.00 0.00 C ATOM 1115 C LYS A 75 1.167 4.544 9.398 1.00 0.00 C ATOM 1116 O LYS A 75 2.331 4.291 9.092 1.00 0.00 O ATOM 1117 CB LYS A 75 0.411 3.862 11.749 1.00 0.00 C ATOM 1118 CG LYS A 75 1.600 2.945 12.045 1.00 0.00 C ATOM 1119 CD LYS A 75 2.405 3.461 13.240 1.00 0.00 C ATOM 1120 CE LYS A 75 3.450 4.486 12.795 1.00 0.00 C ATOM 1121 NZ LYS A 75 4.606 4.482 13.720 1.00 0.00 N ATOM 0 H LYS A 75 -1.100 5.746 11.214 1.00 0.00 H new ATOM 0 HA LYS A 75 1.726 5.429 11.244 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.022 4.271 12.681 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.394 3.285 11.294 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.243 1.936 12.251 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.244 2.883 11.168 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.732 3.915 13.968 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.898 2.627 13.739 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.785 4.257 11.783 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.004 5.480 12.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.306 5.183 13.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.284 4.723 14.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.041 3.537 13.728 1.00 0.00 H new ATOM 1135 N PHE A 76 0.136 4.451 8.571 1.00 0.00 N ATOM 1136 CA PHE A 76 0.319 4.027 7.193 1.00 0.00 C ATOM 1137 C PHE A 76 -0.020 5.159 6.221 1.00 0.00 C ATOM 1138 O PHE A 76 -0.634 6.152 6.609 1.00 0.00 O ATOM 1139 CB PHE A 76 -0.642 2.860 6.953 1.00 0.00 C ATOM 1140 CG PHE A 76 -0.553 1.754 8.007 1.00 0.00 C ATOM 1141 CD1 PHE A 76 0.642 1.161 8.270 1.00 0.00 C ATOM 1142 CD2 PHE A 76 -1.668 1.364 8.680 1.00 0.00 C ATOM 1143 CE1 PHE A 76 0.725 0.134 9.248 1.00 0.00 C ATOM 1144 CE2 PHE A 76 -1.586 0.338 9.658 1.00 0.00 C ATOM 1145 CZ PHE A 76 -0.390 -0.256 9.921 1.00 0.00 C ATOM 0 H PHE A 76 -0.828 4.662 8.828 1.00 0.00 H new ATOM 0 HA PHE A 76 1.357 3.740 7.027 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.662 3.242 6.928 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.438 2.430 5.972 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.528 1.471 7.735 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.617 1.835 8.471 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.674 -0.337 9.457 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.472 0.029 10.193 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.327 -1.037 10.664 1.00 0.00 H new ATOM 1155 N LYS A 77 0.394 4.971 4.977 1.00 0.00 N ATOM 1156 CA LYS A 77 0.143 5.964 3.946 1.00 0.00 C ATOM 1157 C LYS A 77 -1.348 5.966 3.600 1.00 0.00 C ATOM 1158 O LYS A 77 -2.046 4.983 3.841 1.00 0.00 O ATOM 1159 CB LYS A 77 1.054 5.728 2.740 1.00 0.00 C ATOM 1160 CG LYS A 77 2.485 5.421 3.186 1.00 0.00 C ATOM 1161 CD LYS A 77 3.498 6.234 2.377 1.00 0.00 C ATOM 1162 CE LYS A 77 4.792 6.440 3.167 1.00 0.00 C ATOM 1163 NZ LYS A 77 4.951 7.863 3.540 1.00 0.00 N ATOM 0 H LYS A 77 0.902 4.145 4.659 1.00 0.00 H new ATOM 0 HA LYS A 77 0.389 6.962 4.310 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.669 4.900 2.145 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.050 6.609 2.099 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.596 5.647 4.246 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.687 4.357 3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.717 5.721 1.441 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.069 7.201 2.117 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.779 5.822 4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.645 6.117 2.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.834 7.985 4.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.985 8.446 2.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.146 8.160 4.128 1.00 0.00 H new ATOM 1177 N SER A 78 -1.790 7.082 3.039 1.00 0.00 N ATOM 1178 CA SER A 78 -3.185 7.226 2.657 1.00 0.00 C ATOM 1179 C SER A 78 -3.302 7.325 1.135 1.00 0.00 C ATOM 1180 O SER A 78 -2.491 6.753 0.407 1.00 0.00 O ATOM 1181 CB SER A 78 -3.814 8.453 3.319 1.00 0.00 C ATOM 1182 OG SER A 78 -3.386 9.667 2.708 1.00 0.00 O ATOM 0 H SER A 78 -1.207 7.895 2.840 1.00 0.00 H new ATOM 0 HA SER A 78 -3.727 6.345 3.001 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.900 8.380 3.260 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.553 8.468 4.377 1.00 0.00 H new ATOM 0 HG SER A 78 -3.302 10.365 3.391 1.00 0.00 H new ATOM 1188 N CYS A 79 -4.319 8.054 0.698 1.00 0.00 N ATOM 1189 CA CYS A 79 -4.553 8.235 -0.725 1.00 0.00 C ATOM 1190 C CYS A 79 -4.141 9.660 -1.102 1.00 0.00 C ATOM 1191 O CYS A 79 -3.596 9.888 -2.181 1.00 0.00 O ATOM 1192 CB CYS A 79 -6.007 7.943 -1.100 1.00 0.00 C ATOM 1193 SG CYS A 79 -6.583 6.257 -0.683 1.00 0.00 S ATOM 0 H CYS A 79 -4.990 8.526 1.304 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.951 7.523 -1.289 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.649 8.666 -0.597 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.129 8.099 -2.172 1.00 0.00 H new ATOM 1198 N VAL A 80 -4.418 10.582 -0.191 1.00 0.00 N ATOM 1199 CA VAL A 80 -4.083 11.978 -0.415 1.00 0.00 C ATOM 1200 C VAL A 80 -2.611 12.208 -0.067 1.00 0.00 C ATOM 1201 O VAL A 80 -1.940 13.022 -0.699 1.00 0.00 O ATOM 1202 CB VAL A 80 -5.033 12.877 0.380 1.00 0.00 C ATOM 1203 CG1 VAL A 80 -4.631 14.348 0.251 1.00 0.00 C ATOM 1204 CG2 VAL A 80 -6.484 12.665 -0.056 1.00 0.00 C ATOM 0 H VAL A 80 -4.870 10.390 0.703 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.212 12.238 -1.466 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.956 12.599 1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.322 14.966 0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.619 14.484 0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.665 14.644 -0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.137 13.316 0.525 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.584 12.902 -1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.766 11.625 0.111 1.00 0.00 H new ATOM 1214 N GLY A 81 -2.153 11.475 0.937 1.00 0.00 N ATOM 1215 CA GLY A 81 -0.772 11.588 1.376 1.00 0.00 C ATOM 1216 C GLY A 81 0.194 11.366 0.210 1.00 0.00 C ATOM 1217 O GLY A 81 0.838 12.306 -0.254 1.00 0.00 O ATOM 0 H GLY A 81 -2.713 10.801 1.459 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.604 12.574 1.809 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.575 10.857 2.160 1.00 0.00 H new ATOM 1221 N CYS A 82 0.264 10.118 -0.229 1.00 0.00 N ATOM 1222 CA CYS A 82 1.141 9.761 -1.331 1.00 0.00 C ATOM 1223 C CYS A 82 1.001 10.826 -2.421 1.00 0.00 C ATOM 1224 O CYS A 82 1.994 11.329 -2.942 1.00 0.00 O ATOM 1225 CB CYS A 82 0.839 8.358 -1.862 1.00 0.00 C ATOM 1226 SG CYS A 82 2.243 7.755 -2.870 1.00 0.00 S ATOM 0 H CYS A 82 -0.272 9.342 0.158 1.00 0.00 H new ATOM 0 HA CYS A 82 2.174 9.732 -0.983 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.658 7.677 -1.031 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.070 8.376 -2.463 1.00 0.00 H new ATOM 1231 N HIS A 83 -0.255 11.145 -2.739 1.00 0.00 N ATOM 1232 CA HIS A 83 -0.586 12.139 -3.753 1.00 0.00 C ATOM 1233 C HIS A 83 0.062 13.488 -3.392 1.00 0.00 C ATOM 1234 O HIS A 83 0.497 14.222 -4.279 1.00 0.00 O ATOM 1235 CB HIS A 83 -2.112 12.194 -3.915 1.00 0.00 C ATOM 1236 CG HIS A 83 -2.750 11.092 -4.728 1.00 0.00 C ATOM 1237 ND1 HIS A 83 -3.858 11.280 -5.451 1.00 0.00 N ATOM 1238 CD2 HIS A 83 -2.395 9.776 -4.907 1.00 0.00 C ATOM 1239 CE1 HIS A 83 -4.181 10.127 -6.057 1.00 0.00 C ATOM 1240 NE2 HIS A 83 -3.311 9.165 -5.756 1.00 0.00 N ATOM 0 H HIS A 83 -1.070 10.719 -2.298 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.178 11.867 -4.726 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.560 12.186 -2.921 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.371 13.148 -4.374 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -4.374 12.156 -5.529 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.539 9.293 -4.459 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -5.035 9.996 -6.705 1.00 0.00 H new ATOM 1248 N VAL A 84 0.106 13.767 -2.098 1.00 0.00 N ATOM 1249 CA VAL A 84 0.692 15.008 -1.620 1.00 0.00 C ATOM 1250 C VAL A 84 2.208 14.962 -1.823 1.00 0.00 C ATOM 1251 O VAL A 84 2.828 15.979 -2.131 1.00 0.00 O ATOM 1252 CB VAL A 84 0.292 15.248 -0.163 1.00 0.00 C ATOM 1253 CG1 VAL A 84 1.001 16.480 0.405 1.00 0.00 C ATOM 1254 CG2 VAL A 84 -1.227 15.379 -0.027 1.00 0.00 C ATOM 0 H VAL A 84 -0.254 13.155 -1.366 1.00 0.00 H new ATOM 0 HA VAL A 84 0.312 15.855 -2.192 1.00 0.00 H new ATOM 0 HB VAL A 84 0.608 14.382 0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.699 16.628 1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.080 16.332 0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.730 17.358 -0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.485 15.549 1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.575 16.219 -0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.704 14.462 -0.374 1.00 0.00 H new ATOM 1264 N GLU A 85 2.761 13.772 -1.642 1.00 0.00 N ATOM 1265 CA GLU A 85 4.193 13.580 -1.802 1.00 0.00 C ATOM 1266 C GLU A 85 4.555 13.492 -3.286 1.00 0.00 C ATOM 1267 O GLU A 85 5.730 13.537 -3.646 1.00 0.00 O ATOM 1268 CB GLU A 85 4.667 12.336 -1.048 1.00 0.00 C ATOM 1269 CG GLU A 85 5.516 12.721 0.166 1.00 0.00 C ATOM 1270 CD GLU A 85 5.981 11.477 0.926 1.00 0.00 C ATOM 1271 OE1 GLU A 85 5.099 10.661 1.273 1.00 0.00 O ATOM 1272 OE2 GLU A 85 7.207 11.371 1.143 1.00 0.00 O ATOM 0 H GLU A 85 2.244 12.931 -1.386 1.00 0.00 H new ATOM 0 HA GLU A 85 4.705 14.442 -1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.805 11.753 -0.723 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.248 11.701 -1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.382 13.298 -0.159 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.937 13.362 0.831 1.00 0.00 H new ATOM 1279 N VAL A 86 3.522 13.369 -4.108 1.00 0.00 N ATOM 1280 CA VAL A 86 3.717 13.275 -5.544 1.00 0.00 C ATOM 1281 C VAL A 86 3.338 14.608 -6.194 1.00 0.00 C ATOM 1282 O VAL A 86 4.152 15.218 -6.886 1.00 0.00 O ATOM 1283 CB VAL A 86 2.924 12.091 -6.103 1.00 0.00 C ATOM 1284 CG1 VAL A 86 3.055 12.014 -7.626 1.00 0.00 C ATOM 1285 CG2 VAL A 86 3.363 10.780 -5.448 1.00 0.00 C ATOM 0 H VAL A 86 2.548 13.332 -3.806 1.00 0.00 H new ATOM 0 HA VAL A 86 4.765 13.086 -5.776 1.00 0.00 H new ATOM 0 HB VAL A 86 1.872 12.249 -5.865 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.482 11.164 -7.998 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.672 12.932 -8.071 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.104 11.890 -7.895 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.784 9.955 -5.863 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.423 10.614 -5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.195 10.837 -4.372 1.00 0.00 H new ATOM 1295 N ALA A 87 2.103 15.019 -5.949 1.00 0.00 N ATOM 1296 CA ALA A 87 1.606 16.268 -6.502 1.00 0.00 C ATOM 1297 C ALA A 87 2.151 17.437 -5.679 1.00 0.00 C ATOM 1298 O ALA A 87 1.383 18.252 -5.168 1.00 0.00 O ATOM 1299 CB ALA A 87 0.077 16.240 -6.535 1.00 0.00 C ATOM 0 H ALA A 87 1.431 14.510 -5.375 1.00 0.00 H new ATOM 0 HA ALA A 87 1.951 16.398 -7.528 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.295 17.177 -6.950 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.258 15.410 -7.156 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.307 16.114 -5.523 1.00 0.00 H new ATOM 1305 N GLY A 88 3.471 17.482 -5.575 1.00 0.00 N ATOM 1306 CA GLY A 88 4.127 18.538 -4.822 1.00 0.00 C ATOM 1307 C GLY A 88 5.224 19.204 -5.655 1.00 0.00 C ATOM 1308 O GLY A 88 6.176 19.757 -5.105 1.00 0.00 O ATOM 0 H GLY A 88 4.104 16.804 -6.000 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.392 19.284 -4.519 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.558 18.125 -3.910 1.00 0.00 H new ATOM 1312 N ALA A 89 5.055 19.130 -6.966 1.00 0.00 N ATOM 1313 CA ALA A 89 6.019 19.719 -7.880 1.00 0.00 C ATOM 1314 C ALA A 89 5.351 20.857 -8.655 1.00 0.00 C ATOM 1315 O ALA A 89 6.001 21.844 -8.997 1.00 0.00 O ATOM 1316 CB ALA A 89 6.577 18.634 -8.803 1.00 0.00 C ATOM 0 H ALA A 89 4.264 18.671 -7.418 1.00 0.00 H new ATOM 0 HA ALA A 89 6.859 20.143 -7.330 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.300 19.076 -9.489 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.066 17.865 -8.206 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.763 18.187 -9.373 1.00 0.00 H new ATOM 1322 N ASP A 90 4.063 20.681 -8.909 1.00 0.00 N ATOM 1323 CA ASP A 90 3.300 21.682 -9.636 1.00 0.00 C ATOM 1324 C ASP A 90 2.061 22.062 -8.824 1.00 0.00 C ATOM 1325 O ASP A 90 1.516 21.237 -8.092 1.00 0.00 O ATOM 1326 CB ASP A 90 2.832 21.141 -10.989 1.00 0.00 C ATOM 1327 CG ASP A 90 2.489 22.209 -12.029 1.00 0.00 C ATOM 1328 OD1 ASP A 90 2.804 23.388 -11.757 1.00 0.00 O ATOM 1329 OD2 ASP A 90 1.920 21.823 -13.073 1.00 0.00 O ATOM 0 H ASP A 90 3.528 19.860 -8.625 1.00 0.00 H new ATOM 0 HA ASP A 90 3.944 22.547 -9.796 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.612 20.497 -11.395 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.954 20.516 -10.829 1.00 0.00 H new ATOM 1334 N ALA A 91 1.652 23.313 -8.980 1.00 0.00 N ATOM 1335 CA ALA A 91 0.486 23.813 -8.271 1.00 0.00 C ATOM 1336 C ALA A 91 -0.756 23.626 -9.144 1.00 0.00 C ATOM 1337 O ALA A 91 -1.746 24.338 -8.981 1.00 0.00 O ATOM 1338 CB ALA A 91 0.713 25.276 -7.884 1.00 0.00 C ATOM 0 H ALA A 91 2.107 23.995 -9.587 1.00 0.00 H new ATOM 0 HA ALA A 91 0.327 23.253 -7.350 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.161 25.652 -7.352 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.589 25.350 -7.240 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.873 25.870 -8.784 1.00 0.00 H new ATOM 1344 N ALA A 92 -0.664 22.664 -10.050 1.00 0.00 N ATOM 1345 CA ALA A 92 -1.769 22.375 -10.949 1.00 0.00 C ATOM 1346 C ALA A 92 -2.407 21.042 -10.553 1.00 0.00 C ATOM 1347 O ALA A 92 -3.555 21.007 -10.112 1.00 0.00 O ATOM 1348 CB ALA A 92 -1.264 22.373 -12.394 1.00 0.00 C ATOM 0 H ALA A 92 0.158 22.075 -10.181 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.538 23.144 -10.873 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.092 22.156 -13.069 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -0.846 23.351 -12.635 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.493 21.611 -12.509 1.00 0.00 H new ATOM 1354 N LYS A 93 -1.636 19.979 -10.724 1.00 0.00 N ATOM 1355 CA LYS A 93 -2.112 18.648 -10.389 1.00 0.00 C ATOM 1356 C LYS A 93 -2.553 18.622 -8.924 1.00 0.00 C ATOM 1357 O LYS A 93 -3.404 17.819 -8.542 1.00 0.00 O ATOM 1358 CB LYS A 93 -1.052 17.598 -10.730 1.00 0.00 C ATOM 1359 CG LYS A 93 -1.687 16.372 -11.390 1.00 0.00 C ATOM 1360 CD LYS A 93 -2.151 16.694 -12.812 1.00 0.00 C ATOM 1361 CE LYS A 93 -0.958 16.817 -13.763 1.00 0.00 C ATOM 1362 NZ LYS A 93 0.067 15.799 -13.443 1.00 0.00 N ATOM 0 H LYS A 93 -0.685 20.012 -11.090 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.985 18.394 -10.990 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.308 18.031 -11.399 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.528 17.297 -9.823 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.967 15.554 -11.415 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.535 16.032 -10.795 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.823 15.912 -13.165 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.718 17.625 -12.811 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.292 16.694 -14.793 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.525 17.814 -13.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.709 15.686 -14.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.610 16.103 -12.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.397 14.891 -13.240 1.00 0.00 H new ATOM 1376 N LYS A 94 -1.956 19.510 -8.143 1.00 0.00 N ATOM 1377 CA LYS A 94 -2.277 19.600 -6.729 1.00 0.00 C ATOM 1378 C LYS A 94 -3.782 19.823 -6.565 1.00 0.00 C ATOM 1379 O LYS A 94 -4.331 19.606 -5.486 1.00 0.00 O ATOM 1380 CB LYS A 94 -1.419 20.670 -6.051 1.00 0.00 C ATOM 1381 CG LYS A 94 -2.152 22.012 -6.007 1.00 0.00 C ATOM 1382 CD LYS A 94 -3.085 22.088 -4.797 1.00 0.00 C ATOM 1383 CE LYS A 94 -3.156 23.514 -4.247 1.00 0.00 C ATOM 1384 NZ LYS A 94 -2.996 23.510 -2.775 1.00 0.00 N ATOM 0 H LYS A 94 -1.251 20.174 -8.463 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.036 18.665 -6.224 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.170 20.354 -5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.478 20.783 -6.590 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.427 22.825 -5.963 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.727 22.146 -6.923 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.083 21.754 -5.081 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.732 21.411 -4.019 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.376 24.125 -4.702 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.111 23.966 -4.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.047 24.485 -2.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.755 22.944 -2.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.074 23.098 -2.527 1.00 0.00 H new ATOM 1398 N LYS A 95 -4.406 20.253 -7.652 1.00 0.00 N ATOM 1399 CA LYS A 95 -5.836 20.508 -7.642 1.00 0.00 C ATOM 1400 C LYS A 95 -6.558 19.368 -8.364 1.00 0.00 C ATOM 1401 O LYS A 95 -7.715 19.511 -8.756 1.00 0.00 O ATOM 1402 CB LYS A 95 -6.137 21.891 -8.221 1.00 0.00 C ATOM 1403 CG LYS A 95 -6.779 22.798 -7.169 1.00 0.00 C ATOM 1404 CD LYS A 95 -7.400 24.037 -7.818 1.00 0.00 C ATOM 1405 CE LYS A 95 -6.366 24.796 -8.651 1.00 0.00 C ATOM 1406 NZ LYS A 95 -5.239 25.239 -7.801 1.00 0.00 N ATOM 0 H LYS A 95 -3.947 20.431 -8.545 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.213 20.527 -6.619 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -5.215 22.345 -8.584 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.804 21.793 -9.078 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.545 22.245 -6.626 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -6.028 23.103 -6.440 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -8.236 23.740 -8.452 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -7.803 24.693 -7.046 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -5.995 24.156 -9.452 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.834 25.660 -9.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.644 25.906 -8.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.610 25.709 -6.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.670 24.415 -7.521 1.00 0.00 H new ATOM 1420 N ASP A 96 -5.845 18.263 -8.519 1.00 0.00 N ATOM 1421 CA ASP A 96 -6.403 17.099 -9.187 1.00 0.00 C ATOM 1422 C ASP A 96 -6.121 15.851 -8.349 1.00 0.00 C ATOM 1423 O ASP A 96 -6.998 15.007 -8.170 1.00 0.00 O ATOM 1424 CB ASP A 96 -5.768 16.898 -10.565 1.00 0.00 C ATOM 1425 CG ASP A 96 -5.595 18.174 -11.390 1.00 0.00 C ATOM 1426 OD1 ASP A 96 -6.068 19.228 -10.912 1.00 0.00 O ATOM 1427 OD2 ASP A 96 -4.993 18.068 -12.481 1.00 0.00 O ATOM 0 H ASP A 96 -4.885 18.148 -8.193 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.475 17.259 -9.304 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.791 16.433 -10.434 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.381 16.197 -11.132 1.00 0.00 H new ATOM 1432 N LEU A 97 -4.893 15.772 -7.858 1.00 0.00 N ATOM 1433 CA LEU A 97 -4.484 14.641 -7.043 1.00 0.00 C ATOM 1434 C LEU A 97 -4.998 14.834 -5.615 1.00 0.00 C ATOM 1435 O LEU A 97 -5.539 13.906 -5.015 1.00 0.00 O ATOM 1436 CB LEU A 97 -2.970 14.437 -7.129 1.00 0.00 C ATOM 1437 CG LEU A 97 -2.369 14.463 -8.536 1.00 0.00 C ATOM 1438 CD1 LEU A 97 -0.919 13.977 -8.522 1.00 0.00 C ATOM 1439 CD2 LEU A 97 -3.232 13.665 -9.516 1.00 0.00 C ATOM 0 H LEU A 97 -4.168 16.473 -8.009 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.928 13.720 -7.421 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.485 15.210 -6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.725 13.480 -6.668 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.359 15.496 -8.884 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.516 14.005 -9.534 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.325 14.624 -7.876 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.881 12.955 -8.145 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.782 13.700 -10.508 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.297 12.629 -9.183 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.232 14.097 -9.555 1.00 0.00 H new ATOM 1451 N THR A 98 -4.811 16.045 -5.112 1.00 0.00 N ATOM 1452 CA THR A 98 -5.249 16.373 -3.766 1.00 0.00 C ATOM 1453 C THR A 98 -6.468 17.297 -3.811 1.00 0.00 C ATOM 1454 O THR A 98 -6.970 17.718 -2.770 1.00 0.00 O ATOM 1455 CB THR A 98 -4.059 16.973 -3.014 1.00 0.00 C ATOM 1456 OG1 THR A 98 -3.820 18.212 -3.675 1.00 0.00 O ATOM 1457 CG2 THR A 98 -2.769 16.180 -3.232 1.00 0.00 C ATOM 0 H THR A 98 -4.362 16.812 -5.613 1.00 0.00 H new ATOM 0 HA THR A 98 -5.576 15.482 -3.229 1.00 0.00 H new ATOM 0 HB THR A 98 -4.285 17.012 -1.949 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.302 18.226 -4.528 1.00 0.00 H new ATOM 0 HG21 THR A 98 -1.956 16.648 -2.677 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.907 15.157 -2.881 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.524 16.169 -4.294 1.00 0.00 H new ATOM 1465 N GLY A 99 -6.907 17.584 -5.027 1.00 0.00 N ATOM 1466 CA GLY A 99 -8.058 18.450 -5.222 1.00 0.00 C ATOM 1467 C GLY A 99 -9.314 17.843 -4.594 1.00 0.00 C ATOM 1468 O GLY A 99 -9.439 16.622 -4.504 1.00 0.00 O ATOM 0 H GLY A 99 -6.487 17.233 -5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.862 19.427 -4.780 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.221 18.610 -6.288 1.00 0.00 H new ATOM 1472 N CYS A 100 -10.213 18.722 -4.177 1.00 0.00 N ATOM 1473 CA CYS A 100 -11.455 18.288 -3.561 1.00 0.00 C ATOM 1474 C CYS A 100 -12.525 18.195 -4.651 1.00 0.00 C ATOM 1475 O CYS A 100 -13.248 17.203 -4.734 1.00 0.00 O ATOM 1476 CB CYS A 100 -11.878 19.219 -2.423 1.00 0.00 C ATOM 1477 SG CYS A 100 -10.845 19.108 -0.917 1.00 0.00 S ATOM 0 H CYS A 100 -10.106 19.733 -4.254 1.00 0.00 H new ATOM 0 HA CYS A 100 -11.315 17.307 -3.106 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -11.857 20.247 -2.786 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -12.911 18.997 -2.155 1.00 0.00 H new ATOM 1482 N LYS A 101 -12.593 19.243 -5.459 1.00 0.00 N ATOM 1483 CA LYS A 101 -13.563 19.293 -6.540 1.00 0.00 C ATOM 1484 C LYS A 101 -12.832 19.201 -7.880 1.00 0.00 C ATOM 1485 O LYS A 101 -11.803 19.847 -8.076 1.00 0.00 O ATOM 1486 CB LYS A 101 -14.450 20.532 -6.407 1.00 0.00 C ATOM 1487 CG LYS A 101 -13.836 21.727 -7.140 1.00 0.00 C ATOM 1488 CD LYS A 101 -12.564 22.206 -6.437 1.00 0.00 C ATOM 1489 CE LYS A 101 -12.176 23.611 -6.904 1.00 0.00 C ATOM 1490 NZ LYS A 101 -12.969 24.633 -6.185 1.00 0.00 N ATOM 0 H LYS A 101 -11.992 20.064 -5.387 1.00 0.00 H new ATOM 0 HA LYS A 101 -14.238 18.439 -6.486 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.439 20.321 -6.813 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -14.584 20.777 -5.353 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.605 21.448 -8.168 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -14.559 22.541 -7.186 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.719 22.207 -5.358 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -11.748 21.513 -6.641 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.113 23.778 -6.730 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.341 23.703 -7.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.694 25.581 -6.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.981 24.482 -6.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.791 24.555 -5.163 1.00 0.00 H new ATOM 1504 N LYS A 102 -13.390 18.392 -8.769 1.00 0.00 N ATOM 1505 CA LYS A 102 -12.804 18.207 -10.085 1.00 0.00 C ATOM 1506 C LYS A 102 -11.656 17.200 -9.990 1.00 0.00 C ATOM 1507 O LYS A 102 -11.052 16.845 -11.001 1.00 0.00 O ATOM 1508 CB LYS A 102 -12.392 19.554 -10.683 1.00 0.00 C ATOM 1509 CG LYS A 102 -13.019 19.756 -12.064 1.00 0.00 C ATOM 1510 CD LYS A 102 -12.628 21.114 -12.650 1.00 0.00 C ATOM 1511 CE LYS A 102 -13.010 21.202 -14.129 1.00 0.00 C ATOM 1512 NZ LYS A 102 -14.482 21.183 -14.286 1.00 0.00 N ATOM 0 H LYS A 102 -14.242 17.857 -8.603 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.539 17.790 -10.774 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -12.701 20.361 -10.018 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.306 19.604 -10.762 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.695 18.960 -12.734 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.104 19.687 -11.988 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -13.123 21.910 -12.095 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.555 21.267 -12.538 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.604 22.116 -14.562 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -12.569 20.368 -14.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.726 21.328 -15.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -14.853 20.265 -13.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.902 21.943 -13.713 1.00 0.00 H new ATOM 1526 N SER A 103 -11.390 16.768 -8.766 1.00 0.00 N ATOM 1527 CA SER A 103 -10.325 15.809 -8.526 1.00 0.00 C ATOM 1528 C SER A 103 -10.722 14.438 -9.077 1.00 0.00 C ATOM 1529 O SER A 103 -11.907 14.126 -9.181 1.00 0.00 O ATOM 1530 CB SER A 103 -10.000 15.708 -7.035 1.00 0.00 C ATOM 1531 OG SER A 103 -9.121 14.623 -6.752 1.00 0.00 O ATOM 0 H SER A 103 -11.894 17.064 -7.930 1.00 0.00 H new ATOM 0 HA SER A 103 -9.430 16.156 -9.042 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.545 16.640 -6.699 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.924 15.583 -6.470 1.00 0.00 H new ATOM 0 HG SER A 103 -8.198 14.892 -6.941 1.00 0.00 H new ATOM 1537 N LYS A 104 -9.707 13.656 -9.417 1.00 0.00 N ATOM 1538 CA LYS A 104 -9.936 12.325 -9.954 1.00 0.00 C ATOM 1539 C LYS A 104 -10.748 11.506 -8.949 1.00 0.00 C ATOM 1540 O LYS A 104 -11.664 10.780 -9.331 1.00 0.00 O ATOM 1541 CB LYS A 104 -8.609 11.673 -10.350 1.00 0.00 C ATOM 1542 CG LYS A 104 -8.338 11.847 -11.846 1.00 0.00 C ATOM 1543 CD LYS A 104 -7.800 13.247 -12.147 1.00 0.00 C ATOM 1544 CE LYS A 104 -6.434 13.173 -12.833 1.00 0.00 C ATOM 1545 NZ LYS A 104 -6.596 12.935 -14.285 1.00 0.00 N ATOM 0 H LYS A 104 -8.725 13.919 -9.331 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.525 12.379 -10.870 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.796 12.117 -9.775 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.633 10.612 -10.102 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -7.619 11.098 -12.178 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.257 11.678 -12.408 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.503 13.781 -12.786 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.716 13.815 -11.221 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.887 14.102 -12.669 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.841 12.372 -12.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.660 12.887 -14.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.099 12.037 -14.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -7.143 13.713 -14.705 1.00 0.00 H new ATOM 1559 N CYS A 105 -10.383 11.651 -7.684 1.00 0.00 N ATOM 1560 CA CYS A 105 -11.066 10.933 -6.621 1.00 0.00 C ATOM 1561 C CYS A 105 -12.487 11.488 -6.503 1.00 0.00 C ATOM 1562 O CYS A 105 -13.464 10.758 -6.655 1.00 0.00 O ATOM 1563 CB CYS A 105 -10.306 11.026 -5.296 1.00 0.00 C ATOM 1564 SG CYS A 105 -8.551 10.572 -5.549 1.00 0.00 S ATOM 0 H CYS A 105 -9.623 12.255 -7.371 1.00 0.00 H new ATOM 0 HA CYS A 105 -11.110 9.872 -6.866 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -10.375 12.038 -4.898 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -10.759 10.363 -4.560 1.00 0.00 H new ATOM 1569 N HIS A 106 -12.562 12.792 -6.231 1.00 0.00 N ATOM 1570 CA HIS A 106 -13.830 13.497 -6.082 1.00 0.00 C ATOM 1571 C HIS A 106 -14.088 14.372 -7.322 1.00 0.00 C ATOM 1572 O HIS A 106 -14.128 15.597 -7.217 1.00 0.00 O ATOM 1573 CB HIS A 106 -13.815 14.271 -4.755 1.00 0.00 C ATOM 1574 CG HIS A 106 -13.607 13.459 -3.497 1.00 0.00 C ATOM 1575 ND1 HIS A 106 -14.461 12.509 -3.105 1.00 0.00 N ATOM 1576 CD2 HIS A 106 -12.608 13.490 -2.554 1.00 0.00 C ATOM 1577 CE1 HIS A 106 -14.012 11.968 -1.961 1.00 0.00 C ATOM 1578 NE2 HIS A 106 -12.871 12.537 -1.576 1.00 0.00 N ATOM 0 H HIS A 106 -11.743 13.387 -6.108 1.00 0.00 H new ATOM 0 HA HIS A 106 -14.669 12.803 -6.030 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -13.028 15.023 -4.809 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -14.760 14.806 -4.662 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -15.314 12.239 -3.595 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -11.753 14.150 -2.570 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.511 11.175 -1.423 1.00 0.00 H new ATOM 1586 N GLU A 107 -14.254 13.710 -8.458 1.00 0.00 N ATOM 1587 CA GLU A 107 -14.506 14.413 -9.704 1.00 0.00 C ATOM 1588 C GLU A 107 -16.011 14.566 -9.933 1.00 0.00 C ATOM 1589 O GLU A 107 -16.447 15.487 -10.622 1.00 0.00 O ATOM 1590 CB GLU A 107 -13.842 13.697 -10.882 1.00 0.00 C ATOM 1591 CG GLU A 107 -13.029 14.676 -11.732 1.00 0.00 C ATOM 1592 CD GLU A 107 -13.306 14.468 -13.222 1.00 0.00 C ATOM 1593 OE1 GLU A 107 -14.479 14.649 -13.612 1.00 0.00 O ATOM 1594 OE2 GLU A 107 -12.337 14.134 -13.938 1.00 0.00 O ATOM 0 H GLU A 107 -14.219 12.694 -8.541 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.067 15.408 -9.632 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -13.191 12.905 -10.511 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -14.604 13.221 -11.499 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -13.277 15.700 -11.452 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.966 14.540 -11.533 1.00 0.00 H new TER 1601 GLU A 107 HETATM 1602 FE HEC A 108 -5.347 -3.993 -3.815 1.00 0.00 FE HETATM 1603 CHA HEC A 108 -8.798 -4.530 -3.482 1.00 0.00 C HETATM 1604 CHB HEC A 108 -4.926 -7.341 -4.393 1.00 0.00 C HETATM 1605 CHC HEC A 108 -2.045 -3.415 -4.290 1.00 0.00 C HETATM 1606 CHD HEC A 108 -5.913 -0.624 -3.106 1.00 0.00 C HETATM 1607 NA HEC A 108 -6.618 -5.587 -3.949 1.00 0.00 N HETATM 1608 C1A HEC A 108 -7.982 -5.632 -3.719 1.00 0.00 C HETATM 1609 C2A HEC A 108 -8.453 -6.996 -3.757 1.00 0.00 C HETATM 1610 C3A HEC A 108 -7.382 -7.778 -4.010 1.00 0.00 C HETATM 1611 C4A HEC A 108 -6.238 -6.905 -4.130 1.00 0.00 C HETATM 1612 CMA HEC A 108 -7.340 -9.272 -4.148 1.00 0.00 C HETATM 1613 CAA HEC A 108 -9.878 -7.420 -3.550 1.00 0.00 C HETATM 1614 CBA HEC A 108 -10.476 -8.183 -4.728 1.00 0.00 C HETATM 1615 CGA HEC A 108 -10.361 -9.687 -4.521 1.00 0.00 C HETATM 1616 O1A HEC A 108 -9.635 -10.315 -5.322 1.00 0.00 O HETATM 1617 O2A HEC A 108 -11.000 -10.179 -3.567 1.00 0.00 O HETATM 1618 NB HEC A 108 -3.821 -5.141 -4.232 1.00 0.00 N HETATM 1619 C1B HEC A 108 -3.818 -6.505 -4.471 1.00 0.00 C HETATM 1620 C2B HEC A 108 -2.488 -6.949 -4.819 1.00 0.00 C HETATM 1621 C3B HEC A 108 -1.687 -5.863 -4.791 1.00 0.00 C HETATM 1622 C4B HEC A 108 -2.513 -4.735 -4.426 1.00 0.00 C HETATM 1623 CMB HEC A 108 -2.113 -8.366 -5.143 1.00 0.00 C HETATM 1624 CAB HEC A 108 -0.215 -5.793 -5.077 1.00 0.00 C HETATM 1625 CBB HEC A 108 0.218 -6.597 -6.299 1.00 0.00 C HETATM 1626 NC HEC A 108 -4.241 -2.319 -3.789 1.00 0.00 N HETATM 1627 C1C HEC A 108 -2.872 -2.267 -3.983 1.00 0.00 C HETATM 1628 C2C HEC A 108 -2.379 -0.935 -3.720 1.00 0.00 C HETATM 1629 C3C HEC A 108 -3.442 -0.181 -3.368 1.00 0.00 C HETATM 1630 C4C HEC A 108 -4.603 -1.039 -3.409 1.00 0.00 C HETATM 1631 CMC HEC A 108 -0.943 -0.513 -3.830 1.00 0.00 C HETATM 1632 CAC HEC A 108 -3.461 1.273 -2.995 1.00 0.00 C HETATM 1633 CBC HEC A 108 -2.273 2.066 -3.530 1.00 0.00 C HETATM 1634 ND HEC A 108 -7.022 -2.804 -3.428 1.00 0.00 N HETATM 1635 C1D HEC A 108 -7.020 -1.465 -3.078 1.00 0.00 C HETATM 1636 C2D HEC A 108 -8.344 -1.051 -2.675 1.00 0.00 C HETATM 1637 C3D HEC A 108 -9.146 -2.132 -2.778 1.00 0.00 C HETATM 1638 C4D HEC A 108 -8.327 -3.225 -3.247 1.00 0.00 C HETATM 1639 CMD HEC A 108 -8.712 0.334 -2.231 1.00 0.00 C HETATM 1640 CAD HEC A 108 -10.613 -2.226 -2.476 1.00 0.00 C HETATM 1641 CBD HEC A 108 -10.945 -2.170 -0.987 1.00 0.00 C HETATM 1642 CGD HEC A 108 -12.435 -1.952 -0.766 1.00 0.00 C HETATM 1643 O1D HEC A 108 -13.193 -2.191 -1.730 1.00 0.00 O HETATM 1644 O2D HEC A 108 -12.788 -1.551 0.364 1.00 0.00 O HETATM 0 HMD3 HEC A 108 -8.128 0.601 -1.350 1.00 0.00 H new HETATM 0 HMD2 HEC A 108 -8.502 1.041 -3.034 1.00 0.00 H new HETATM 0 HMD1 HEC A 108 -9.774 0.367 -1.986 1.00 0.00 H new HETATM 0 HMC3 HEC A 108 -0.337 -1.104 -3.144 1.00 0.00 H new HETATM 0 HMC2 HEC A 108 -0.594 -0.671 -4.851 1.00 0.00 H new HETATM 0 HMC1 HEC A 108 -0.854 0.543 -3.576 1.00 0.00 H new HETATM 0 HMB3 HEC A 108 -2.335 -9.005 -4.289 1.00 0.00 H new HETATM 0 HMB2 HEC A 108 -2.684 -8.705 -6.007 1.00 0.00 H new HETATM 0 HMB1 HEC A 108 -1.048 -8.418 -5.369 1.00 0.00 H new HETATM 0 HMA3 HEC A 108 -7.685 -9.733 -3.223 1.00 0.00 H new HETATM 0 HMA2 HEC A 108 -7.986 -9.580 -4.970 1.00 0.00 H new HETATM 0 HMA1 HEC A 108 -6.318 -9.590 -4.352 1.00 0.00 H new HETATM 0 HBD2 HEC A 108 -10.635 -3.098 -0.507 1.00 0.00 H new HETATM 0 HBD1 HEC A 108 -10.382 -1.364 -0.516 1.00 0.00 H new HETATM 0 HBC3 HEC A 108 -1.348 1.645 -3.136 1.00 0.00 H new HETATM 0 HBC2 HEC A 108 -2.261 2.014 -4.619 1.00 0.00 H new HETATM 0 HBC1 HEC A 108 -2.360 3.107 -3.218 1.00 0.00 H new HETATM 0 HBB3 HEC A 108 -0.031 -7.648 -6.150 1.00 0.00 H new HETATM 0 HBB2 HEC A 108 -0.299 -6.223 -7.183 1.00 0.00 H new HETATM 0 HBB1 HEC A 108 1.294 -6.495 -6.439 1.00 0.00 H new HETATM 0 HBA2 HEC A 108 -11.524 -7.908 -4.849 1.00 0.00 H new HETATM 0 HBA1 HEC A 108 -9.964 -7.899 -5.647 1.00 0.00 H new HETATM 0 HAD2 HEC A 108 -11.131 -1.413 -2.984 1.00 0.00 H new HETATM 0 HAD1 HEC A 108 -11.000 -3.158 -2.889 1.00 0.00 H new HETATM 0 HAA2 HEC A 108 -9.934 -8.045 -2.659 1.00 0.00 H new HETATM 0 HAA1 HEC A 108 -10.485 -6.535 -3.357 1.00 0.00 H new HETATM 0 HHD HEC A 108 -6.071 0.430 -2.877 1.00 0.00 H new HETATM 0 HHC HEC A 108 -0.977 -3.244 -4.426 1.00 0.00 H new HETATM 0 HHB HEC A 108 -4.768 -8.408 -4.546 1.00 0.00 H new HETATM 0 HHA HEC A 108 -9.876 -4.689 -3.478 1.00 0.00 H new HETATM 0 H2D HEC A 108 -12.806 -0.571 0.373 1.00 0.00 H new HETATM 0 H2A HEC A 108 -11.048 -11.152 -3.673 1.00 0.00 H new HETATM 1677 FE HEC A 109 -6.558 -0.002 8.343 1.00 0.00 FE HETATM 1678 CHA HEC A 109 -4.781 1.666 10.899 1.00 0.00 C HETATM 1679 CHB HEC A 109 -5.700 2.401 6.173 1.00 0.00 C HETATM 1680 CHC HEC A 109 -8.038 -1.864 5.930 1.00 0.00 C HETATM 1681 CHD HEC A 109 -7.465 -2.396 10.794 1.00 0.00 C HETATM 1682 NA HEC A 109 -5.464 1.672 8.529 1.00 0.00 N HETATM 1683 C1A HEC A 109 -4.813 2.217 9.622 1.00 0.00 C HETATM 1684 C2A HEC A 109 -4.161 3.451 9.254 1.00 0.00 C HETATM 1685 C3A HEC A 109 -4.414 3.658 7.944 1.00 0.00 C HETATM 1686 C4A HEC A 109 -5.225 2.553 7.489 1.00 0.00 C HETATM 1687 CMA HEC A 109 -3.960 4.802 7.084 1.00 0.00 C HETATM 1688 CAA HEC A 109 -3.361 4.312 10.187 1.00 0.00 C HETATM 1689 CBA HEC A 109 -4.145 5.480 10.780 1.00 0.00 C HETATM 1690 CGA HEC A 109 -4.873 5.062 12.050 1.00 0.00 C HETATM 1691 O1A HEC A 109 -5.430 3.943 12.043 1.00 0.00 O HETATM 1692 O2A HEC A 109 -4.859 5.870 13.004 1.00 0.00 O HETATM 1693 NB HEC A 109 -6.852 0.241 6.476 1.00 0.00 N HETATM 1694 C1B HEC A 109 -6.351 1.269 5.696 1.00 0.00 C HETATM 1695 C2B HEC A 109 -6.601 1.004 4.298 1.00 0.00 C HETATM 1696 C3B HEC A 109 -7.249 -0.177 4.227 1.00 0.00 C HETATM 1697 C4B HEC A 109 -7.407 -0.656 5.580 1.00 0.00 C HETATM 1698 CMB HEC A 109 -6.196 1.906 3.168 1.00 0.00 C HETATM 1699 CAB HEC A 109 -7.731 -0.895 3.000 1.00 0.00 C HETATM 1700 CBB HEC A 109 -6.656 -1.097 1.936 1.00 0.00 C HETATM 1701 NC HEC A 109 -7.512 -1.797 8.390 1.00 0.00 N HETATM 1702 C1C HEC A 109 -8.166 -2.339 7.298 1.00 0.00 C HETATM 1703 C2C HEC A 109 -8.962 -3.474 7.702 1.00 0.00 C HETATM 1704 C3C HEC A 109 -8.793 -3.623 9.033 1.00 0.00 C HETATM 1705 C4C HEC A 109 -7.892 -2.581 9.466 1.00 0.00 C HETATM 1706 CMC HEC A 109 -9.804 -4.305 6.779 1.00 0.00 C HETATM 1707 CAC HEC A 109 -9.405 -4.657 9.932 1.00 0.00 C HETATM 1708 CBC HEC A 109 -8.994 -6.089 9.601 1.00 0.00 C HETATM 1709 ND HEC A 109 -6.188 -0.317 10.429 1.00 0.00 N HETATM 1710 C1D HEC A 109 -6.673 -1.339 11.227 1.00 0.00 C HETATM 1711 C2D HEC A 109 -6.238 -1.157 12.592 1.00 0.00 C HETATM 1712 C3D HEC A 109 -5.493 -0.031 12.625 1.00 0.00 C HETATM 1713 C4D HEC A 109 -5.460 0.495 11.281 1.00 0.00 C HETATM 1714 CMD HEC A 109 -6.575 -2.075 13.731 1.00 0.00 C HETATM 1715 CAD HEC A 109 -4.811 0.592 13.808 1.00 0.00 C HETATM 1716 CBD HEC A 109 -3.445 -0.010 14.125 1.00 0.00 C HETATM 1717 CGD HEC A 109 -3.370 -0.463 15.576 1.00 0.00 C HETATM 1718 O1D HEC A 109 -3.214 0.426 16.441 1.00 0.00 O HETATM 1719 O2D HEC A 109 -3.469 -1.691 15.794 1.00 0.00 O HETATM 0 HMD3 HEC A 109 -7.657 -2.118 13.856 1.00 0.00 H new HETATM 0 HMD2 HEC A 109 -6.195 -3.074 13.518 1.00 0.00 H new HETATM 0 HMD1 HEC A 109 -6.118 -1.701 14.647 1.00 0.00 H new HETATM 0 HMC3 HEC A 109 -10.557 -3.674 6.307 1.00 0.00 H new HETATM 0 HMC2 HEC A 109 -9.171 -4.751 6.012 1.00 0.00 H new HETATM 0 HMC1 HEC A 109 -10.296 -5.094 7.347 1.00 0.00 H new HETATM 0 HMB3 HEC A 109 -6.673 2.878 3.290 1.00 0.00 H new HETATM 0 HMB2 HEC A 109 -5.113 2.030 3.172 1.00 0.00 H new HETATM 0 HMB1 HEC A 109 -6.507 1.465 2.221 1.00 0.00 H new HETATM 0 HMA3 HEC A 109 -4.342 5.738 7.492 1.00 0.00 H new HETATM 0 HMA2 HEC A 109 -2.871 4.833 7.065 1.00 0.00 H new HETATM 0 HMA1 HEC A 109 -4.337 4.667 6.070 1.00 0.00 H new HETATM 0 HBD2 HEC A 109 -3.256 -0.857 13.466 1.00 0.00 H new HETATM 0 HBD1 HEC A 109 -2.665 0.726 13.930 1.00 0.00 H new HETATM 0 HBC3 HEC A 109 -9.298 -6.329 8.582 1.00 0.00 H new HETATM 0 HBC2 HEC A 109 -7.912 -6.187 9.689 1.00 0.00 H new HETATM 0 HBC1 HEC A 109 -9.478 -6.776 10.295 1.00 0.00 H new HETATM 0 HBB3 HEC A 109 -6.277 -0.127 1.613 1.00 0.00 H new HETATM 0 HBB2 HEC A 109 -5.838 -1.686 2.352 1.00 0.00 H new HETATM 0 HBB1 HEC A 109 -7.083 -1.623 1.082 1.00 0.00 H new HETATM 0 HBA2 HEC A 109 -3.466 6.303 11.001 1.00 0.00 H new HETATM 0 HBA1 HEC A 109 -4.865 5.848 10.049 1.00 0.00 H new HETATM 0 HAD2 HEC A 109 -4.692 1.660 13.625 1.00 0.00 H new HETATM 0 HAD1 HEC A 109 -5.454 0.488 14.682 1.00 0.00 H new HETATM 0 HAA2 HEC A 109 -2.981 3.693 11.000 1.00 0.00 H new HETATM 0 HAA1 HEC A 109 -2.496 4.703 9.652 1.00 0.00 H new HETATM 0 HHD HEC A 109 -7.777 -3.133 11.534 1.00 0.00 H new HETATM 0 HHC HEC A 109 -8.454 -2.478 5.131 1.00 0.00 H new HETATM 0 HHB HEC A 109 -5.547 3.228 5.480 1.00 0.00 H new HETATM 0 HHA HEC A 109 -4.188 2.178 11.657 1.00 0.00 H new HETATM 0 H2D HEC A 109 -3.404 -1.859 16.757 1.00 0.00 H new HETATM 0 H2A HEC A 109 -5.183 6.743 12.698 1.00 0.00 H new HETATM 1752 FE HEC A 110 -3.271 7.314 -6.266 1.00 0.00 FE HETATM 1753 CHA HEC A 110 -3.056 8.377 -9.647 1.00 0.00 C HETATM 1754 CHB HEC A 110 -6.730 7.476 -6.580 1.00 0.00 C HETATM 1755 CHC HEC A 110 -3.576 5.955 -3.195 1.00 0.00 C HETATM 1756 CHD HEC A 110 0.145 7.339 -6.125 1.00 0.00 C HETATM 1757 NA HEC A 110 -4.611 7.806 -7.819 1.00 0.00 N HETATM 1758 C1A HEC A 110 -4.328 8.250 -9.099 1.00 0.00 C HETATM 1759 C2A HEC A 110 -5.549 8.569 -9.800 1.00 0.00 C HETATM 1760 C3A HEC A 110 -6.570 8.320 -8.953 1.00 0.00 C HETATM 1761 C4A HEC A 110 -5.990 7.845 -7.718 1.00 0.00 C HETATM 1762 CMA HEC A 110 -8.040 8.491 -9.202 1.00 0.00 C HETATM 1763 CAA HEC A 110 -5.622 9.080 -11.210 1.00 0.00 C HETATM 1764 CBA HEC A 110 -5.873 7.994 -12.251 1.00 0.00 C HETATM 1765 CGA HEC A 110 -5.344 8.410 -13.616 1.00 0.00 C HETATM 1766 O1A HEC A 110 -6.082 9.141 -14.312 1.00 0.00 O HETATM 1767 O2A HEC A 110 -4.211 7.991 -13.938 1.00 0.00 O HETATM 1768 NB HEC A 110 -4.834 6.868 -5.124 1.00 0.00 N HETATM 1769 C1B HEC A 110 -6.183 6.915 -5.431 1.00 0.00 C HETATM 1770 C2B HEC A 110 -6.957 6.295 -4.382 1.00 0.00 C HETATM 1771 C3B HEC A 110 -6.085 5.873 -3.442 1.00 0.00 C HETATM 1772 C4B HEC A 110 -4.763 6.227 -3.900 1.00 0.00 C HETATM 1773 CMB HEC A 110 -8.453 6.167 -4.379 1.00 0.00 C HETATM 1774 CAB HEC A 110 -6.387 5.166 -2.153 1.00 0.00 C HETATM 1775 CBB HEC A 110 -7.420 4.049 -2.284 1.00 0.00 C HETATM 1776 NC HEC A 110 -1.966 6.839 -4.929 1.00 0.00 N HETATM 1777 C1C HEC A 110 -2.238 6.315 -3.677 1.00 0.00 C HETATM 1778 C2C HEC A 110 -1.008 6.022 -2.979 1.00 0.00 C HETATM 1779 C3C HEC A 110 0.006 6.366 -3.801 1.00 0.00 C HETATM 1780 C4C HEC A 110 -0.586 6.875 -5.016 1.00 0.00 C HETATM 1781 CMC HEC A 110 -0.922 5.444 -1.597 1.00 0.00 C HETATM 1782 CAC HEC A 110 1.481 6.258 -3.544 1.00 0.00 C HETATM 1783 CBC HEC A 110 1.859 5.165 -2.548 1.00 0.00 C HETATM 1784 ND HEC A 110 -1.773 7.786 -7.612 1.00 0.00 N HETATM 1785 C1D HEC A 110 -0.417 7.691 -7.348 1.00 0.00 C HETATM 1786 C2D HEC A 110 0.347 8.010 -8.531 1.00 0.00 C HETATM 1787 C3D HEC A 110 -0.537 8.298 -9.509 1.00 0.00 C HETATM 1788 C4D HEC A 110 -1.858 8.160 -8.941 1.00 0.00 C HETATM 1789 CMD HEC A 110 1.846 8.008 -8.611 1.00 0.00 C HETATM 1790 CAD HEC A 110 -0.249 8.691 -10.929 1.00 0.00 C HETATM 1791 CBD HEC A 110 -0.644 7.636 -11.957 1.00 0.00 C HETATM 1792 CGD HEC A 110 0.101 6.331 -11.717 1.00 0.00 C HETATM 1793 O1D HEC A 110 0.844 6.278 -10.713 1.00 0.00 O HETATM 1794 O2D HEC A 110 -0.086 5.410 -12.542 1.00 0.00 O HETATM 0 HMD3 HEC A 110 2.249 8.725 -7.896 1.00 0.00 H new HETATM 0 HMD2 HEC A 110 2.222 7.012 -8.376 1.00 0.00 H new HETATM 0 HMD1 HEC A 110 2.157 8.285 -9.618 1.00 0.00 H new HETATM 0 HMC3 HEC A 110 -1.413 6.114 -0.891 1.00 0.00 H new HETATM 0 HMC2 HEC A 110 -1.415 4.472 -1.578 1.00 0.00 H new HETATM 0 HMC1 HEC A 110 0.125 5.326 -1.317 1.00 0.00 H new HETATM 0 HMB3 HEC A 110 -8.903 7.159 -4.418 1.00 0.00 H new HETATM 0 HMB2 HEC A 110 -8.771 5.590 -5.248 1.00 0.00 H new HETATM 0 HMB1 HEC A 110 -8.773 5.659 -3.469 1.00 0.00 H new HETATM 0 HMA3 HEC A 110 -8.250 9.534 -9.437 1.00 0.00 H new HETATM 0 HMA2 HEC A 110 -8.343 7.863 -10.040 1.00 0.00 H new HETATM 0 HMA1 HEC A 110 -8.596 8.200 -8.311 1.00 0.00 H new HETATM 0 HBD2 HEC A 110 -1.718 7.459 -11.907 1.00 0.00 H new HETATM 0 HBD1 HEC A 110 -0.428 8.003 -12.960 1.00 0.00 H new HETATM 0 HBC3 HEC A 110 1.379 5.364 -1.590 1.00 0.00 H new HETATM 0 HBC2 HEC A 110 1.527 4.198 -2.926 1.00 0.00 H new HETATM 0 HBC1 HEC A 110 2.941 5.151 -2.416 1.00 0.00 H new HETATM 0 HBB3 HEC A 110 -8.359 4.463 -2.651 1.00 0.00 H new HETATM 0 HBB2 HEC A 110 -7.056 3.298 -2.985 1.00 0.00 H new HETATM 0 HBB1 HEC A 110 -7.583 3.588 -1.310 1.00 0.00 H new HETATM 0 HBA2 HEC A 110 -5.391 7.068 -11.938 1.00 0.00 H new HETATM 0 HBA1 HEC A 110 -6.942 7.791 -12.318 1.00 0.00 H new HETATM 0 HAD2 HEC A 110 -0.778 9.618 -11.153 1.00 0.00 H new HETATM 0 HAD1 HEC A 110 0.816 8.900 -11.029 1.00 0.00 H new HETATM 0 HAA2 HEC A 110 -6.417 9.823 -11.276 1.00 0.00 H new HETATM 0 HAA1 HEC A 110 -4.689 9.590 -11.450 1.00 0.00 H new HETATM 0 HHD HEC A 110 1.226 7.429 -6.019 1.00 0.00 H new HETATM 0 HHC HEC A 110 -3.655 5.447 -2.234 1.00 0.00 H new HETATM 0 HHB HEC A 110 -7.807 7.641 -6.600 1.00 0.00 H new HETATM 0 HHA HEC A 110 -2.982 8.664 -10.696 1.00 0.00 H new HETATM 0 H2D HEC A 110 0.444 4.627 -12.284 1.00 0.00 H new HETATM 0 H2A HEC A 110 -4.078 8.114 -14.901 1.00 0.00 H new HETATM 1827 FE HEC A 111 -11.783 12.169 -0.085 1.00 0.00 FE HETATM 1828 CHA HEC A 111 -14.064 9.854 1.316 1.00 0.00 C HETATM 1829 CHB HEC A 111 -13.470 14.679 1.615 1.00 0.00 C HETATM 1830 CHC HEC A 111 -9.445 14.374 -1.110 1.00 0.00 C HETATM 1831 CHD HEC A 111 -10.374 9.590 -1.852 1.00 0.00 C HETATM 1832 NA HEC A 111 -13.453 12.241 1.181 1.00 0.00 N HETATM 1833 C1A HEC A 111 -14.208 11.191 1.674 1.00 0.00 C HETATM 1834 C2A HEC A 111 -15.181 11.677 2.624 1.00 0.00 C HETATM 1835 C3A HEC A 111 -15.019 13.014 2.709 1.00 0.00 C HETATM 1836 C4A HEC A 111 -13.944 13.369 1.812 1.00 0.00 C HETATM 1837 CMA HEC A 111 -15.785 13.985 3.559 1.00 0.00 C HETATM 1838 CAA HEC A 111 -16.169 10.817 3.357 1.00 0.00 C HETATM 1839 CBA HEC A 111 -16.157 11.010 4.871 1.00 0.00 C HETATM 1840 CGA HEC A 111 -17.540 10.784 5.463 1.00 0.00 C HETATM 1841 O1A HEC A 111 -18.519 11.146 4.774 1.00 0.00 O HETATM 1842 O2A HEC A 111 -17.594 10.254 6.594 1.00 0.00 O HETATM 1843 NB HEC A 111 -11.481 14.103 0.275 1.00 0.00 N HETATM 1844 C1B HEC A 111 -12.354 15.008 0.853 1.00 0.00 C HETATM 1845 C2B HEC A 111 -11.945 16.360 0.554 1.00 0.00 C HETATM 1846 C3B HEC A 111 -10.829 16.279 -0.202 1.00 0.00 C HETATM 1847 C4B HEC A 111 -10.536 14.876 -0.378 1.00 0.00 C HETATM 1848 CMB HEC A 111 -12.659 17.596 1.018 1.00 0.00 C HETATM 1849 CAB HEC A 111 -10.015 17.404 -0.772 1.00 0.00 C HETATM 1850 CBB HEC A 111 -8.707 17.662 -0.029 1.00 0.00 C HETATM 1851 NC HEC A 111 -10.148 11.958 -1.161 1.00 0.00 N HETATM 1852 C1C HEC A 111 -9.318 12.985 -1.577 1.00 0.00 C HETATM 1853 C2C HEC A 111 -8.434 12.523 -2.620 1.00 0.00 C HETATM 1854 C3C HEC A 111 -8.722 11.223 -2.839 1.00 0.00 C HETATM 1855 C4C HEC A 111 -9.789 10.867 -1.933 1.00 0.00 C HETATM 1856 CMC HEC A 111 -7.400 13.368 -3.306 1.00 0.00 C HETATM 1857 CAC HEC A 111 -8.084 10.287 -3.824 1.00 0.00 C HETATM 1858 CBC HEC A 111 -6.559 10.344 -3.835 1.00 0.00 C HETATM 1859 ND HEC A 111 -12.184 10.146 -0.270 1.00 0.00 N HETATM 1860 C1D HEC A 111 -11.411 9.251 -0.989 1.00 0.00 C HETATM 1861 C2D HEC A 111 -11.832 7.896 -0.720 1.00 0.00 C HETATM 1862 C3D HEC A 111 -12.855 7.966 0.158 1.00 0.00 C HETATM 1863 C4D HEC A 111 -13.078 9.364 0.441 1.00 0.00 C HETATM 1864 CMD HEC A 111 -11.217 6.669 -1.326 1.00 0.00 C HETATM 1865 CAD HEC A 111 -13.641 6.834 0.754 1.00 0.00 C HETATM 1866 CBD HEC A 111 -14.535 6.106 -0.245 1.00 0.00 C HETATM 1867 CGD HEC A 111 -15.453 5.117 0.459 1.00 0.00 C HETATM 1868 O1D HEC A 111 -16.661 5.136 0.140 1.00 0.00 O HETATM 1869 O2D HEC A 111 -14.928 4.360 1.305 1.00 0.00 O HETATM 0 HMD3 HEC A 111 -11.315 6.711 -2.411 1.00 0.00 H new HETATM 0 HMD2 HEC A 111 -10.161 6.621 -1.058 1.00 0.00 H new HETATM 0 HMD1 HEC A 111 -11.727 5.782 -0.950 1.00 0.00 H new HETATM 0 HMC3 HEC A 111 -7.886 14.211 -3.796 1.00 0.00 H new HETATM 0 HMC2 HEC A 111 -6.686 13.739 -2.570 1.00 0.00 H new HETATM 0 HMC1 HEC A 111 -6.876 12.769 -4.050 1.00 0.00 H new HETATM 0 HMB3 HEC A 111 -13.679 17.592 0.635 1.00 0.00 H new HETATM 0 HMB2 HEC A 111 -12.681 17.616 2.108 1.00 0.00 H new HETATM 0 HMB1 HEC A 111 -12.136 18.478 0.649 1.00 0.00 H new HETATM 0 HMA3 HEC A 111 -16.841 13.947 3.293 1.00 0.00 H new HETATM 0 HMA2 HEC A 111 -15.666 13.721 4.610 1.00 0.00 H new HETATM 0 HMA1 HEC A 111 -15.405 14.993 3.393 1.00 0.00 H new HETATM 0 HBD2 HEC A 111 -15.132 6.831 -0.798 1.00 0.00 H new HETATM 0 HBD1 HEC A 111 -13.918 5.579 -0.973 1.00 0.00 H new HETATM 0 HBC3 HEC A 111 -6.234 11.352 -4.093 1.00 0.00 H new HETATM 0 HBC2 HEC A 111 -6.178 10.081 -2.848 1.00 0.00 H new HETATM 0 HBC1 HEC A 111 -6.174 9.639 -4.572 1.00 0.00 H new HETATM 0 HBB3 HEC A 111 -8.922 17.915 1.009 1.00 0.00 H new HETATM 0 HBB2 HEC A 111 -8.086 16.767 -0.063 1.00 0.00 H new HETATM 0 HBB1 HEC A 111 -8.177 18.489 -0.502 1.00 0.00 H new HETATM 0 HBA2 HEC A 111 -15.447 10.318 5.323 1.00 0.00 H new HETATM 0 HBA1 HEC A 111 -15.816 12.017 5.110 1.00 0.00 H new HETATM 0 HAD2 HEC A 111 -12.949 6.117 1.196 1.00 0.00 H new HETATM 0 HAD1 HEC A 111 -14.259 7.221 1.564 1.00 0.00 H new HETATM 0 HAA2 HEC A 111 -17.170 11.031 2.982 1.00 0.00 H new HETATM 0 HAA1 HEC A 111 -15.961 9.771 3.133 1.00 0.00 H new HETATM 0 HHD HEC A 111 -9.988 8.812 -2.511 1.00 0.00 H new HETATM 0 HHC HEC A 111 -8.635 15.064 -1.348 1.00 0.00 H new HETATM 0 HHB HEC A 111 -14.015 15.493 2.093 1.00 0.00 H new HETATM 0 HHA HEC A 111 -14.764 9.136 1.744 1.00 0.00 H new HETATM 0 H2D HEC A 111 -14.912 4.806 2.178 1.00 0.00 H new HETATM 0 H2A HEC A 111 -18.530 10.163 6.868 1.00 0.00 H new