USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=33 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 14 THR OG1 : rot 180:sc= -0.168 USER MOD Set 1.2: A 111 HEC O2D : rot -30:sc= -0.675! USER MOD Set 2.1: A 67 HIS : no HE2:sc= -2.27! C(o=-3.6!,f=-16!) USER MOD Set 2.2: A 109 HEC O2A : rot 37:sc= -1.29! USER MOD Set 3.1: A 61 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 63 LYS NZ :NH3+ 164:sc=-0.00124 (180deg=-0.0544) USER MOD Single : A 1 ALA N :NH3+ -113:sc= -1.68 (180deg=-4.86!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl -148:sc= -5.71! (180deg=-7.27!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -2.21 K(o=-2.2,f=-4.8!) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -79:sc= 0.545 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= -0.622 X(o=-0.62,f=-0.17) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot -15:sc= -2.64! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0122 USER MOD Single : A 54 SER OG : rot 129:sc= -0.871 USER MOD Single : A 55 MET CE :methyl 161:sc= -0.669 (180deg=-1.94) 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 60 LYS NZ :NH3+ 155:sc= -1.74! (180deg=-3.93!) USER MOD Single : A 65 TYR OH : rot -139:sc= 0.183 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -156:sc= -6.08! (180deg=-8.3!) USER MOD Single : A 72 LYS NZ :NH3+ -145:sc= -1.11 (180deg=-1.16) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 THR OG1 : rot 114:sc= 1.26 USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= 0.648 (180deg=0.627) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 150:sc= -3! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -166:sc= -0.0205 (180deg=-0.236) USER MOD Single : A 98 THR OG1 : rot -18:sc= 0.0479 USER MOD Single : A 101 LYS NZ :NH3+ 146:sc= -0.408 (180deg=-2.07!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 50:sc= 1.11 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HEC O2A : rot 140:sc= -0.854 USER MOD Single : A 108 HEC O2D : rot 150:sc= -0.883 USER MOD Single : A 109 HEC O2D : rot 165:sc= 0 USER MOD Single : A 110 HEC O2A : rot 165:sc= 0 USER MOD Single : A 110 HEC O2D : rot 10:sc= -3.07! USER MOD Single : A 111 HEC O2A : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.622 -15.186 -2.023 1.00 0.00 N ATOM 2 CA ALA A 1 -3.299 -14.624 -2.237 1.00 0.00 C ATOM 3 C ALA A 1 -2.931 -14.748 -3.717 1.00 0.00 C ATOM 4 O ALA A 1 -1.965 -15.407 -4.096 1.00 0.00 O ATOM 5 CB ALA A 1 -2.292 -15.327 -1.324 1.00 0.00 C ATOM 0 H1 ALA A 1 -5.283 -14.428 -1.759 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.951 -15.642 -2.898 1.00 0.00 H new ATOM 0 H3 ALA A 1 -4.580 -15.891 -1.259 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.285 -13.564 -1.982 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.300 -14.906 -1.484 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.583 -15.184 -0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.275 -16.393 -1.553 1.00 0.00 H new ATOM 13 N PRO A 2 -3.733 -14.088 -4.555 1.00 0.00 N ATOM 14 CA PRO A 2 -3.569 -14.065 -5.993 1.00 0.00 C ATOM 15 C PRO A 2 -2.469 -13.082 -6.365 1.00 0.00 C ATOM 16 O PRO A 2 -1.672 -12.726 -5.499 1.00 0.00 O ATOM 17 CB PRO A 2 -4.921 -13.605 -6.534 1.00 0.00 C ATOM 18 CG PRO A 2 -5.320 -12.561 -5.402 1.00 0.00 C ATOM 19 CD PRO A 2 -4.877 -13.304 -4.143 1.00 0.00 C ATOM 0 HA PRO A 2 -3.282 -15.033 -6.403 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -4.843 -13.144 -7.519 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -5.637 -14.422 -6.620 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -4.804 -11.608 -5.521 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -6.389 -12.346 -5.398 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -4.613 -12.608 -3.346 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -5.674 -13.940 -3.759 1.00 0.00 H new ATOM 27 N LYS A 3 -2.444 -12.668 -7.624 1.00 0.00 N ATOM 28 CA LYS A 3 -1.433 -11.730 -8.083 1.00 0.00 C ATOM 29 C LYS A 3 -2.004 -10.311 -8.042 1.00 0.00 C ATOM 30 O LYS A 3 -1.477 -9.446 -7.345 1.00 0.00 O ATOM 31 CB LYS A 3 -0.906 -12.142 -9.459 1.00 0.00 C ATOM 32 CG LYS A 3 -0.263 -13.529 -9.408 1.00 0.00 C ATOM 33 CD LYS A 3 0.061 -14.036 -10.814 1.00 0.00 C ATOM 34 CE LYS A 3 1.228 -15.025 -10.785 1.00 0.00 C ATOM 35 NZ LYS A 3 0.987 -16.139 -11.730 1.00 0.00 N ATOM 0 H LYS A 3 -3.107 -12.965 -8.340 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.569 -11.745 -7.419 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -1.723 -12.143 -10.180 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.175 -11.411 -9.806 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.649 -13.489 -8.813 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.937 -14.228 -8.912 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.818 -14.518 -11.242 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.309 -13.194 -11.460 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.154 -14.512 -11.047 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.355 -15.417 -9.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.788 -16.801 -11.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.115 -16.638 -11.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.888 -15.761 -12.694 1.00 0.00 H new ATOM 49 N ALA A 4 -3.074 -10.116 -8.799 1.00 0.00 N ATOM 50 CA ALA A 4 -3.722 -8.817 -8.858 1.00 0.00 C ATOM 51 C ALA A 4 -5.157 -8.991 -9.360 1.00 0.00 C ATOM 52 O ALA A 4 -5.446 -9.790 -10.247 1.00 0.00 O ATOM 53 CB ALA A 4 -2.903 -7.878 -9.745 1.00 0.00 C ATOM 0 H ALA A 4 -3.508 -10.836 -9.377 1.00 0.00 H new ATOM 0 HA ALA A 4 -3.772 -8.367 -7.867 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.389 -6.903 -9.789 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.902 -7.766 -9.329 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.834 -8.295 -10.750 1.00 0.00 H new ATOM 59 N PRO A 5 -6.062 -8.211 -8.764 1.00 0.00 N ATOM 60 CA PRO A 5 -7.473 -8.208 -9.082 1.00 0.00 C ATOM 61 C PRO A 5 -7.678 -7.660 -10.487 1.00 0.00 C ATOM 62 O PRO A 5 -6.701 -7.253 -11.115 1.00 0.00 O ATOM 63 CB PRO A 5 -8.108 -7.291 -8.039 1.00 0.00 C ATOM 64 CG PRO A 5 -6.999 -6.378 -7.611 1.00 0.00 C ATOM 65 CD PRO A 5 -5.757 -7.259 -7.717 1.00 0.00 C ATOM 0 HA PRO A 5 -7.915 -9.204 -9.061 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.943 -6.730 -8.460 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -8.500 -7.861 -7.196 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -6.927 -5.503 -8.256 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -7.148 -6.013 -6.595 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.875 -6.669 -7.965 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -5.549 -7.763 -6.773 1.00 0.00 H new ATOM 73 N ALA A 6 -8.920 -7.660 -10.950 1.00 0.00 N ATOM 74 CA ALA A 6 -9.224 -7.161 -12.280 1.00 0.00 C ATOM 75 C ALA A 6 -9.803 -5.749 -12.169 1.00 0.00 C ATOM 76 O ALA A 6 -10.854 -5.551 -11.562 1.00 0.00 O ATOM 77 CB ALA A 6 -10.177 -8.128 -12.984 1.00 0.00 C ATOM 0 H ALA A 6 -9.728 -7.998 -10.427 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.318 -7.100 -12.883 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.405 -7.753 -13.982 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.707 -9.108 -13.063 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -11.099 -8.213 -12.409 1.00 0.00 H new ATOM 83 N ASP A 7 -9.091 -4.804 -12.766 1.00 0.00 N ATOM 84 CA ASP A 7 -9.522 -3.416 -12.743 1.00 0.00 C ATOM 85 C ASP A 7 -11.043 -3.356 -12.890 1.00 0.00 C ATOM 86 O ASP A 7 -11.657 -4.284 -13.414 1.00 0.00 O ATOM 87 CB ASP A 7 -8.903 -2.628 -13.899 1.00 0.00 C ATOM 88 CG ASP A 7 -7.781 -3.351 -14.647 1.00 0.00 C ATOM 89 OD1 ASP A 7 -6.653 -3.356 -14.111 1.00 0.00 O ATOM 90 OD2 ASP A 7 -8.078 -3.882 -15.739 1.00 0.00 O ATOM 0 H ASP A 7 -8.219 -4.972 -13.268 1.00 0.00 H new ATOM 0 HA ASP A 7 -9.202 -2.979 -11.797 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.690 -2.377 -14.610 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -8.513 -1.688 -13.510 1.00 0.00 H new ATOM 95 N GLY A 8 -11.608 -2.254 -12.420 1.00 0.00 N ATOM 96 CA GLY A 8 -13.047 -2.060 -12.493 1.00 0.00 C ATOM 97 C GLY A 8 -13.661 -1.981 -11.094 1.00 0.00 C ATOM 98 O GLY A 8 -14.867 -2.160 -10.931 1.00 0.00 O ATOM 0 H GLY A 8 -11.096 -1.486 -11.987 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.267 -1.145 -13.043 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.501 -2.882 -13.047 1.00 0.00 H new ATOM 102 N LEU A 9 -12.804 -1.714 -10.120 1.00 0.00 N ATOM 103 CA LEU A 9 -13.247 -1.609 -8.740 1.00 0.00 C ATOM 104 C LEU A 9 -13.471 -0.136 -8.391 1.00 0.00 C ATOM 105 O LEU A 9 -12.732 0.734 -8.850 1.00 0.00 O ATOM 106 CB LEU A 9 -12.265 -2.319 -7.806 1.00 0.00 C ATOM 107 CG LEU A 9 -11.246 -1.424 -7.098 1.00 0.00 C ATOM 108 CD1 LEU A 9 -11.845 -0.808 -5.832 1.00 0.00 C ATOM 109 CD2 LEU A 9 -9.953 -2.189 -6.807 1.00 0.00 C ATOM 0 H LEU A 9 -11.804 -1.567 -10.259 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.202 -2.118 -8.607 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.837 -2.854 -7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.722 -3.068 -8.383 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.990 -0.602 -7.766 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.101 -0.176 -5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.715 -0.206 -6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.147 -1.602 -5.149 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.246 -1.530 -6.304 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.172 -3.043 -6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.519 -2.539 -7.743 1.00 0.00 H new ATOM 121 N LYS A 10 -14.494 0.099 -7.583 1.00 0.00 N ATOM 122 CA LYS A 10 -14.825 1.451 -7.167 1.00 0.00 C ATOM 123 C LYS A 10 -15.324 1.428 -5.721 1.00 0.00 C ATOM 124 O LYS A 10 -16.127 0.573 -5.351 1.00 0.00 O ATOM 125 CB LYS A 10 -15.812 2.086 -8.148 1.00 0.00 C ATOM 126 CG LYS A 10 -16.016 1.196 -9.375 1.00 0.00 C ATOM 127 CD LYS A 10 -16.742 -0.098 -9.000 1.00 0.00 C ATOM 128 CE LYS A 10 -17.973 -0.312 -9.882 1.00 0.00 C ATOM 129 NZ LYS A 10 -18.632 -1.595 -9.552 1.00 0.00 N ATOM 0 H LYS A 10 -15.105 -0.625 -7.205 1.00 0.00 H new ATOM 0 HA LYS A 10 -13.938 2.084 -7.188 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.768 2.251 -7.651 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.442 3.063 -8.460 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -16.591 1.735 -10.128 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.050 0.959 -9.821 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.063 -0.944 -9.106 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -17.043 -0.060 -7.953 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -18.675 0.510 -9.742 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -17.680 -0.306 -10.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -19.466 -1.724 -10.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -17.965 -2.378 -9.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -18.929 -1.587 -8.555 1.00 0.00 H new ATOM 143 N MET A 11 -14.827 2.378 -4.942 1.00 0.00 N ATOM 144 CA MET A 11 -15.212 2.477 -3.545 1.00 0.00 C ATOM 145 C MET A 11 -16.266 3.568 -3.343 1.00 0.00 C ATOM 146 O MET A 11 -15.931 4.744 -3.215 1.00 0.00 O ATOM 147 CB MET A 11 -13.979 2.796 -2.697 1.00 0.00 C ATOM 148 CG MET A 11 -12.779 1.955 -3.137 1.00 0.00 C ATOM 149 SD MET A 11 -11.269 2.877 -2.902 1.00 0.00 S ATOM 150 CE MET A 11 -10.936 2.496 -1.190 1.00 0.00 C ATOM 0 H MET A 11 -14.161 3.086 -5.252 1.00 0.00 H new ATOM 0 HA MET A 11 -15.639 1.523 -3.237 1.00 0.00 H new ATOM 0 HB2 MET A 11 -13.737 3.855 -2.785 1.00 0.00 H new ATOM 0 HB3 MET A 11 -14.196 2.604 -1.646 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.743 1.029 -2.563 1.00 0.00 H new ATOM 0 HG3 MET A 11 -12.885 1.676 -4.185 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.438 3.343 -0.719 1.00 0.00 H new ATOM 0 HE2 MET A 11 -11.874 2.293 -0.673 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.293 1.618 -1.131 1.00 0.00 H new ATOM 160 N GLU A 12 -17.519 3.138 -3.321 1.00 0.00 N ATOM 161 CA GLU A 12 -18.625 4.063 -3.137 1.00 0.00 C ATOM 162 C GLU A 12 -19.488 3.629 -1.950 1.00 0.00 C ATOM 163 O GLU A 12 -20.715 3.628 -2.038 1.00 0.00 O ATOM 164 CB GLU A 12 -19.462 4.177 -4.412 1.00 0.00 C ATOM 165 CG GLU A 12 -20.462 3.023 -4.516 1.00 0.00 C ATOM 166 CD GLU A 12 -20.569 2.519 -5.956 1.00 0.00 C ATOM 167 OE1 GLU A 12 -19.500 2.379 -6.590 1.00 0.00 O ATOM 168 OE2 GLU A 12 -21.717 2.284 -6.392 1.00 0.00 O ATOM 0 H GLU A 12 -17.793 2.161 -3.428 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.216 5.050 -2.921 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -19.996 5.127 -4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.807 4.175 -5.283 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -20.151 2.207 -3.864 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -21.441 3.353 -4.169 1.00 0.00 H new ATOM 175 N ALA A 13 -18.812 3.271 -0.868 1.00 0.00 N ATOM 176 CA ALA A 13 -19.502 2.837 0.335 1.00 0.00 C ATOM 177 C ALA A 13 -20.104 4.054 1.041 1.00 0.00 C ATOM 178 O ALA A 13 -20.970 3.910 1.903 1.00 0.00 O ATOM 179 CB ALA A 13 -18.531 2.065 1.230 1.00 0.00 C ATOM 0 H ALA A 13 -17.794 3.273 -0.799 1.00 0.00 H new ATOM 0 HA ALA A 13 -20.321 2.163 0.085 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -19.048 1.739 2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.155 1.194 0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.696 2.711 1.503 1.00 0.00 H new ATOM 185 N THR A 14 -19.622 5.223 0.648 1.00 0.00 N ATOM 186 CA THR A 14 -20.101 6.464 1.233 1.00 0.00 C ATOM 187 C THR A 14 -20.846 7.295 0.186 1.00 0.00 C ATOM 188 O THR A 14 -21.337 6.755 -0.804 1.00 0.00 O ATOM 189 CB THR A 14 -18.902 7.192 1.845 1.00 0.00 C ATOM 190 OG1 THR A 14 -18.300 7.860 0.740 1.00 0.00 O ATOM 191 CG2 THR A 14 -17.819 6.229 2.334 1.00 0.00 C ATOM 0 H THR A 14 -18.905 5.338 -0.068 1.00 0.00 H new ATOM 0 HA THR A 14 -20.824 6.274 2.026 1.00 0.00 H new ATOM 0 HB THR A 14 -19.239 7.810 2.677 1.00 0.00 H new ATOM 0 HG1 THR A 14 -17.515 8.359 1.048 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.992 6.797 2.759 1.00 0.00 H new ATOM 0 HG22 THR A 14 -18.235 5.570 3.096 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.457 5.633 1.496 1.00 0.00 H new ATOM 199 N LYS A 15 -20.906 8.593 0.441 1.00 0.00 N ATOM 200 CA LYS A 15 -21.583 9.503 -0.468 1.00 0.00 C ATOM 201 C LYS A 15 -20.569 10.075 -1.460 1.00 0.00 C ATOM 202 O LYS A 15 -20.700 11.216 -1.900 1.00 0.00 O ATOM 203 CB LYS A 15 -22.347 10.573 0.316 1.00 0.00 C ATOM 204 CG LYS A 15 -23.296 9.935 1.332 1.00 0.00 C ATOM 205 CD LYS A 15 -24.515 10.826 1.578 1.00 0.00 C ATOM 206 CE LYS A 15 -25.538 10.122 2.471 1.00 0.00 C ATOM 207 NZ LYS A 15 -26.264 11.106 3.305 1.00 0.00 N ATOM 0 H LYS A 15 -20.497 9.037 1.263 1.00 0.00 H new ATOM 0 HA LYS A 15 -22.334 8.970 -1.051 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -21.641 11.225 0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -22.914 11.199 -0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -23.621 8.960 0.969 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -22.769 9.766 2.271 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -24.200 11.759 2.046 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -24.977 11.087 0.626 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -26.245 9.566 1.855 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -25.034 9.397 3.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -26.954 10.611 3.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -25.587 11.618 3.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -26.761 11.782 2.691 1.00 0.00 H new ATOM 221 N GLN A 16 -19.579 9.255 -1.784 1.00 0.00 N ATOM 222 CA GLN A 16 -18.543 9.665 -2.716 1.00 0.00 C ATOM 223 C GLN A 16 -17.889 8.438 -3.356 1.00 0.00 C ATOM 224 O GLN A 16 -16.922 7.875 -2.848 1.00 0.00 O ATOM 225 CB GLN A 16 -17.499 10.544 -2.024 1.00 0.00 C ATOM 226 CG GLN A 16 -17.480 11.950 -2.627 1.00 0.00 C ATOM 227 CD GLN A 16 -17.522 11.892 -4.155 1.00 0.00 C ATOM 228 OE1 GLN A 16 -17.102 10.930 -4.777 1.00 0.00 O ATOM 229 NE2 GLN A 16 -18.050 12.973 -4.723 1.00 0.00 N ATOM 0 H GLN A 16 -19.473 8.309 -1.417 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.005 10.259 -3.504 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -17.718 10.604 -0.958 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -16.513 10.089 -2.121 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -18.333 12.519 -2.258 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -16.582 12.476 -2.304 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -18.383 13.743 -4.143 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -18.122 13.032 -5.739 1.00 0.00 H new ATOM 238 N PRO A 17 -18.448 8.033 -4.499 1.00 0.00 N ATOM 239 CA PRO A 17 -17.991 6.899 -5.273 1.00 0.00 C ATOM 240 C PRO A 17 -16.624 7.204 -5.869 1.00 0.00 C ATOM 241 O PRO A 17 -16.547 8.008 -6.796 1.00 0.00 O ATOM 242 CB PRO A 17 -19.040 6.726 -6.369 1.00 0.00 C ATOM 243 CG PRO A 17 -20.233 7.582 -5.973 1.00 0.00 C ATOM 244 CD PRO A 17 -19.586 8.673 -5.123 1.00 0.00 C ATOM 0 HA PRO A 17 -17.882 5.994 -4.676 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.644 7.038 -7.336 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -19.330 5.680 -6.465 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -20.744 7.994 -6.843 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.972 7.013 -5.409 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -19.276 9.520 -5.736 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.282 9.057 -4.377 1.00 0.00 H new ATOM 252 N VAL A 18 -15.589 6.572 -5.335 1.00 0.00 N ATOM 253 CA VAL A 18 -14.241 6.793 -5.830 1.00 0.00 C ATOM 254 C VAL A 18 -13.735 5.518 -6.508 1.00 0.00 C ATOM 255 O VAL A 18 -13.761 4.442 -5.912 1.00 0.00 O ATOM 256 CB VAL A 18 -13.336 7.264 -4.689 1.00 0.00 C ATOM 257 CG1 VAL A 18 -11.864 7.225 -5.106 1.00 0.00 C ATOM 258 CG2 VAL A 18 -13.735 8.662 -4.214 1.00 0.00 C ATOM 0 H VAL A 18 -15.657 5.907 -4.565 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.234 7.584 -6.580 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.466 6.577 -3.853 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.242 7.564 -4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.588 6.205 -5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.712 7.878 -5.965 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.076 8.973 -3.403 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.648 9.366 -5.042 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.765 8.645 -3.858 1.00 0.00 H new ATOM 268 N VAL A 19 -13.287 5.682 -7.744 1.00 0.00 N ATOM 269 CA VAL A 19 -12.776 4.557 -8.509 1.00 0.00 C ATOM 270 C VAL A 19 -11.263 4.453 -8.306 1.00 0.00 C ATOM 271 O VAL A 19 -10.593 5.458 -8.075 1.00 0.00 O ATOM 272 CB VAL A 19 -13.173 4.701 -9.980 1.00 0.00 C ATOM 273 CG1 VAL A 19 -12.070 5.398 -10.779 1.00 0.00 C ATOM 274 CG2 VAL A 19 -13.517 3.341 -10.590 1.00 0.00 C ATOM 0 H VAL A 19 -13.267 6.576 -8.235 1.00 0.00 H new ATOM 0 HA VAL A 19 -13.216 3.624 -8.157 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.066 5.324 -10.027 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.377 5.488 -11.821 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.893 6.391 -10.366 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.153 4.812 -10.720 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -13.796 3.471 -11.636 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.650 2.683 -10.525 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.350 2.898 -10.045 1.00 0.00 H new ATOM 284 N PHE A 20 -10.769 3.227 -8.398 1.00 0.00 N ATOM 285 CA PHE A 20 -9.347 2.978 -8.227 1.00 0.00 C ATOM 286 C PHE A 20 -8.921 1.706 -8.962 1.00 0.00 C ATOM 287 O PHE A 20 -9.382 0.613 -8.637 1.00 0.00 O ATOM 288 CB PHE A 20 -9.103 2.793 -6.728 1.00 0.00 C ATOM 289 CG PHE A 20 -8.069 1.717 -6.394 1.00 0.00 C ATOM 290 CD1 PHE A 20 -8.445 0.412 -6.321 1.00 0.00 C ATOM 291 CD2 PHE A 20 -6.773 2.064 -6.170 1.00 0.00 C ATOM 292 CE1 PHE A 20 -7.484 -0.588 -6.012 1.00 0.00 C ATOM 293 CE2 PHE A 20 -5.813 1.065 -5.861 1.00 0.00 C ATOM 294 CZ PHE A 20 -6.189 -0.240 -5.788 1.00 0.00 C ATOM 0 H PHE A 20 -11.328 2.395 -8.589 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.772 3.810 -8.633 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.775 3.742 -6.304 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.047 2.538 -6.246 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -9.474 0.136 -6.498 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.474 3.100 -6.227 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.782 -1.624 -5.955 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.784 1.341 -5.684 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.459 -1.000 -5.552 1.00 0.00 H new ATOM 304 N ASN A 21 -8.045 1.891 -9.939 1.00 0.00 N ATOM 305 CA ASN A 21 -7.551 0.772 -10.723 1.00 0.00 C ATOM 306 C ASN A 21 -6.121 0.443 -10.290 1.00 0.00 C ATOM 307 O ASN A 21 -5.288 1.334 -10.137 1.00 0.00 O ATOM 308 CB ASN A 21 -7.527 1.112 -12.214 1.00 0.00 C ATOM 309 CG ASN A 21 -8.517 2.232 -12.537 1.00 0.00 C ATOM 310 OD1 ASN A 21 -8.150 3.372 -12.771 1.00 0.00 O ATOM 311 ND2 ASN A 21 -9.790 1.846 -12.537 1.00 0.00 N ATOM 0 H ASN A 21 -7.665 2.799 -10.205 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.216 -0.075 -10.557 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.521 1.416 -12.505 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.774 0.225 -12.797 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.527 2.520 -12.741 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.029 0.876 -12.333 1.00 0.00 H new ATOM 318 N HIS A 22 -5.873 -0.853 -10.102 1.00 0.00 N ATOM 319 CA HIS A 22 -4.568 -1.358 -9.688 1.00 0.00 C ATOM 320 C HIS A 22 -3.520 -1.037 -10.769 1.00 0.00 C ATOM 321 O HIS A 22 -2.322 -1.040 -10.488 1.00 0.00 O ATOM 322 CB HIS A 22 -4.696 -2.852 -9.355 1.00 0.00 C ATOM 323 CG HIS A 22 -5.227 -3.200 -7.984 1.00 0.00 C ATOM 324 ND1 HIS A 22 -6.527 -3.395 -7.744 1.00 0.00 N ATOM 325 CD2 HIS A 22 -4.585 -3.382 -6.782 1.00 0.00 C ATOM 326 CE1 HIS A 22 -6.689 -3.686 -6.444 1.00 0.00 C ATOM 327 NE2 HIS A 22 -5.521 -3.692 -5.804 1.00 0.00 N ATOM 0 H HIS A 22 -6.574 -1.582 -10.233 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.218 -0.865 -8.781 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.347 -3.311 -10.099 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.713 -3.310 -9.465 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -7.274 -3.333 -8.436 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.520 -3.297 -6.623 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -7.642 -3.889 -5.978 1.00 0.00 H new ATOM 335 N SER A 23 -4.008 -0.769 -11.971 1.00 0.00 N ATOM 336 CA SER A 23 -3.128 -0.449 -13.082 1.00 0.00 C ATOM 337 C SER A 23 -2.449 0.900 -12.840 1.00 0.00 C ATOM 338 O SER A 23 -1.349 1.144 -13.334 1.00 0.00 O ATOM 339 CB SER A 23 -3.897 -0.426 -14.405 1.00 0.00 C ATOM 340 OG SER A 23 -4.445 0.860 -14.682 1.00 0.00 O ATOM 0 H SER A 23 -5.002 -0.767 -12.200 1.00 0.00 H new ATOM 0 HA SER A 23 -2.366 -1.225 -13.149 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.231 -0.719 -15.217 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.700 -1.162 -14.370 1.00 0.00 H new ATOM 0 HG SER A 23 -4.926 0.834 -15.535 1.00 0.00 H new ATOM 346 N THR A 24 -3.132 1.742 -12.078 1.00 0.00 N ATOM 347 CA THR A 24 -2.609 3.061 -11.764 1.00 0.00 C ATOM 348 C THR A 24 -1.845 3.030 -10.439 1.00 0.00 C ATOM 349 O THR A 24 -1.275 4.033 -10.016 1.00 0.00 O ATOM 350 CB THR A 24 -3.779 4.047 -11.768 1.00 0.00 C ATOM 351 OG1 THR A 24 -4.637 3.572 -10.735 1.00 0.00 O ATOM 352 CG2 THR A 24 -4.628 3.943 -13.036 1.00 0.00 C ATOM 0 H THR A 24 -4.043 1.536 -11.669 1.00 0.00 H new ATOM 0 HA THR A 24 -1.887 3.388 -12.512 1.00 0.00 H new ATOM 0 HB THR A 24 -3.397 5.063 -11.670 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.161 2.814 -11.068 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.444 4.664 -12.988 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.008 4.155 -13.907 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.038 2.936 -13.118 1.00 0.00 H new ATOM 360 N HIS A 25 -1.856 1.854 -9.810 1.00 0.00 N ATOM 361 CA HIS A 25 -1.182 1.632 -8.536 1.00 0.00 C ATOM 362 C HIS A 25 -0.643 0.191 -8.476 1.00 0.00 C ATOM 363 O HIS A 25 -0.862 -0.511 -7.490 1.00 0.00 O ATOM 364 CB HIS A 25 -2.145 1.994 -7.395 1.00 0.00 C ATOM 365 CG HIS A 25 -2.691 3.403 -7.388 1.00 0.00 C ATOM 366 ND1 HIS A 25 -3.707 3.784 -8.167 1.00 0.00 N ATOM 367 CD2 HIS A 25 -2.325 4.514 -6.666 1.00 0.00 C ATOM 368 CE1 HIS A 25 -3.965 5.082 -7.940 1.00 0.00 C ATOM 369 NE2 HIS A 25 -3.140 5.581 -7.021 1.00 0.00 N ATOM 0 H HIS A 25 -2.334 1.029 -10.173 1.00 0.00 H new ATOM 0 HA HIS A 25 -0.311 2.278 -8.428 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.987 1.303 -7.429 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.631 1.824 -6.449 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -4.205 3.187 -8.827 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.529 4.551 -5.937 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.740 5.647 -8.437 1.00 0.00 H new ATOM 377 N LYS A 26 0.047 -0.201 -9.538 1.00 0.00 N ATOM 378 CA LYS A 26 0.613 -1.537 -9.611 1.00 0.00 C ATOM 379 C LYS A 26 2.127 -1.457 -9.407 1.00 0.00 C ATOM 380 O LYS A 26 2.823 -2.467 -9.496 1.00 0.00 O ATOM 381 CB LYS A 26 0.204 -2.220 -10.918 1.00 0.00 C ATOM 382 CG LYS A 26 0.161 -1.217 -12.072 1.00 0.00 C ATOM 383 CD LYS A 26 0.278 -1.928 -13.422 1.00 0.00 C ATOM 384 CE LYS A 26 1.719 -1.901 -13.933 1.00 0.00 C ATOM 385 NZ LYS A 26 1.752 -2.094 -15.400 1.00 0.00 N ATOM 0 H LYS A 26 0.227 0.384 -10.354 1.00 0.00 H new ATOM 0 HA LYS A 26 0.216 -2.163 -8.812 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.909 -3.018 -11.151 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.775 -2.684 -10.799 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.771 -0.653 -12.034 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.973 -0.498 -11.964 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.057 -2.960 -13.323 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.378 -1.448 -14.148 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.185 -0.950 -13.675 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.299 -2.684 -13.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.738 -2.073 -15.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.326 -3.012 -15.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.215 -1.333 -15.862 1.00 0.00 H new ATOM 399 N SER A 27 2.592 -0.246 -9.136 1.00 0.00 N ATOM 400 CA SER A 27 4.011 -0.021 -8.917 1.00 0.00 C ATOM 401 C SER A 27 4.259 0.384 -7.463 1.00 0.00 C ATOM 402 O SER A 27 5.196 1.126 -7.173 1.00 0.00 O ATOM 403 CB SER A 27 4.551 1.050 -9.867 1.00 0.00 C ATOM 404 OG SER A 27 5.087 0.485 -11.060 1.00 0.00 O ATOM 0 H SER A 27 2.011 0.589 -9.063 1.00 0.00 H new ATOM 0 HA SER A 27 4.541 -0.951 -9.123 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.751 1.744 -10.123 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.324 1.627 -9.360 1.00 0.00 H new ATOM 0 HG SER A 27 5.420 1.201 -11.640 1.00 0.00 H new ATOM 410 N VAL A 28 3.403 -0.121 -6.587 1.00 0.00 N ATOM 411 CA VAL A 28 3.517 0.180 -5.170 1.00 0.00 C ATOM 412 C VAL A 28 3.316 -1.104 -4.363 1.00 0.00 C ATOM 413 O VAL A 28 2.450 -1.916 -4.688 1.00 0.00 O ATOM 414 CB VAL A 28 2.532 1.286 -4.789 1.00 0.00 C ATOM 415 CG1 VAL A 28 2.340 1.350 -3.272 1.00 0.00 C ATOM 416 CG2 VAL A 28 2.986 2.639 -5.341 1.00 0.00 C ATOM 0 H VAL A 28 2.627 -0.737 -6.831 1.00 0.00 H new ATOM 0 HA VAL A 28 4.513 0.557 -4.938 1.00 0.00 H new ATOM 0 HB VAL A 28 1.569 1.046 -5.239 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.635 2.145 -3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.951 0.397 -2.914 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.297 1.554 -2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.268 3.408 -5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.966 2.888 -4.933 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.048 2.586 -6.428 1.00 0.00 H new ATOM 426 N LYS A 29 4.129 -1.248 -3.327 1.00 0.00 N ATOM 427 CA LYS A 29 4.050 -2.420 -2.471 1.00 0.00 C ATOM 428 C LYS A 29 2.616 -2.581 -1.964 1.00 0.00 C ATOM 429 O LYS A 29 2.018 -1.626 -1.470 1.00 0.00 O ATOM 430 CB LYS A 29 5.092 -2.337 -1.354 1.00 0.00 C ATOM 431 CG LYS A 29 5.801 -3.680 -1.164 1.00 0.00 C ATOM 432 CD LYS A 29 6.598 -4.060 -2.413 1.00 0.00 C ATOM 433 CE LYS A 29 8.101 -4.052 -2.128 1.00 0.00 C ATOM 434 NZ LYS A 29 8.849 -3.549 -3.302 1.00 0.00 N ATOM 0 H LYS A 29 4.846 -0.573 -3.061 1.00 0.00 H new ATOM 0 HA LYS A 29 4.291 -3.321 -3.035 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.824 -1.566 -1.592 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.609 -2.042 -0.423 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.469 -3.624 -0.305 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.067 -4.456 -0.947 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.294 -5.049 -2.755 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.373 -3.361 -3.219 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.309 -3.425 -1.261 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.436 -5.059 -1.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.867 -3.550 -3.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.664 -4.163 -4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.542 -2.580 -3.520 1.00 0.00 H new ATOM 448 N CYS A 30 2.105 -3.795 -2.104 1.00 0.00 N ATOM 449 CA CYS A 30 0.752 -4.094 -1.666 1.00 0.00 C ATOM 450 C CYS A 30 0.635 -3.725 -0.186 1.00 0.00 C ATOM 451 O CYS A 30 -0.454 -3.416 0.295 1.00 0.00 O ATOM 452 CB CYS A 30 0.385 -5.557 -1.921 1.00 0.00 C ATOM 453 SG CYS A 30 1.082 -6.267 -3.457 1.00 0.00 S ATOM 0 H CYS A 30 2.604 -4.584 -2.515 1.00 0.00 H new ATOM 0 HA CYS A 30 0.041 -3.504 -2.244 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.724 -6.155 -1.075 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.701 -5.643 -1.958 1.00 0.00 H new ATOM 458 N GLY A 31 1.770 -3.769 0.494 1.00 0.00 N ATOM 459 CA GLY A 31 1.808 -3.444 1.910 1.00 0.00 C ATOM 460 C GLY A 31 1.601 -1.945 2.134 1.00 0.00 C ATOM 461 O GLY A 31 1.519 -1.489 3.273 1.00 0.00 O ATOM 0 H GLY A 31 2.671 -4.025 0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.035 -4.004 2.436 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.766 -3.749 2.331 1.00 0.00 H new ATOM 465 N ASP A 32 1.523 -1.219 1.028 1.00 0.00 N ATOM 466 CA ASP A 32 1.327 0.219 1.089 1.00 0.00 C ATOM 467 C ASP A 32 -0.163 0.520 1.268 1.00 0.00 C ATOM 468 O ASP A 32 -0.529 1.503 1.909 1.00 0.00 O ATOM 469 CB ASP A 32 1.794 0.894 -0.202 1.00 0.00 C ATOM 470 CG ASP A 32 2.192 2.364 -0.056 1.00 0.00 C ATOM 471 OD1 ASP A 32 1.267 3.204 -0.034 1.00 0.00 O ATOM 472 OD2 ASP A 32 3.414 2.615 0.031 1.00 0.00 O ATOM 0 H ASP A 32 1.592 -1.600 0.084 1.00 0.00 H new ATOM 0 HA ASP A 32 1.908 0.603 1.927 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.646 0.340 -0.596 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.997 0.821 -0.941 1.00 0.00 H new ATOM 477 N CYS A 33 -0.982 -0.346 0.688 1.00 0.00 N ATOM 478 CA CYS A 33 -2.424 -0.185 0.775 1.00 0.00 C ATOM 479 C CYS A 33 -2.977 -1.297 1.669 1.00 0.00 C ATOM 480 O CYS A 33 -3.800 -1.048 2.548 1.00 0.00 O ATOM 481 CB CYS A 33 -3.077 -0.187 -0.608 1.00 0.00 C ATOM 482 SG CYS A 33 -3.306 1.532 -1.194 1.00 0.00 S ATOM 0 H CYS A 33 -0.675 -1.161 0.157 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.659 0.784 1.214 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.455 -0.740 -1.312 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.040 -0.696 -0.564 1.00 0.00 H new ATOM 487 N HIS A 34 -2.500 -2.516 1.415 1.00 0.00 N ATOM 488 CA HIS A 34 -2.910 -3.699 2.162 1.00 0.00 C ATOM 489 C HIS A 34 -1.914 -3.963 3.307 1.00 0.00 C ATOM 490 O HIS A 34 -1.084 -4.864 3.216 1.00 0.00 O ATOM 491 CB HIS A 34 -3.075 -4.872 1.185 1.00 0.00 C ATOM 492 CG HIS A 34 -4.013 -4.659 0.020 1.00 0.00 C ATOM 493 ND1 HIS A 34 -5.341 -4.618 0.163 1.00 0.00 N ATOM 494 CD2 HIS A 34 -3.768 -4.476 -1.320 1.00 0.00 C ATOM 495 CE1 HIS A 34 -5.902 -4.417 -1.040 1.00 0.00 C ATOM 496 NE2 HIS A 34 -4.975 -4.322 -1.991 1.00 0.00 N ATOM 0 H HIS A 34 -1.817 -2.708 0.683 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.878 -3.553 2.640 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.092 -5.125 0.788 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.424 -5.737 1.748 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -5.846 -4.722 1.043 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.791 -4.455 -1.779 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.965 -4.342 -1.214 1.00 0.00 H new ATOM 504 N HIS A 35 -2.032 -3.157 4.363 1.00 0.00 N ATOM 505 CA HIS A 35 -1.175 -3.262 5.538 1.00 0.00 C ATOM 506 C HIS A 35 -1.520 -4.542 6.321 1.00 0.00 C ATOM 507 O HIS A 35 -2.603 -5.108 6.191 1.00 0.00 O ATOM 508 CB HIS A 35 -1.295 -1.969 6.358 1.00 0.00 C ATOM 509 CG HIS A 35 -2.577 -1.771 7.133 1.00 0.00 C ATOM 510 ND1 HIS A 35 -2.953 -2.587 8.122 1.00 0.00 N ATOM 511 CD2 HIS A 35 -3.561 -0.817 7.028 1.00 0.00 C ATOM 512 CE1 HIS A 35 -4.126 -2.159 8.615 1.00 0.00 C ATOM 513 NE2 HIS A 35 -4.546 -1.069 7.975 1.00 0.00 N ATOM 0 H HIS A 35 -2.727 -2.413 4.425 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.126 -3.359 5.259 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.464 -1.935 7.062 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.174 -1.124 5.680 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -2.434 -3.402 8.449 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.567 -0.001 6.321 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.659 -2.636 9.424 1.00 0.00 H new ATOM 521 N PRO A 36 -0.565 -4.984 7.143 1.00 0.00 N ATOM 522 CA PRO A 36 -0.684 -6.164 7.972 1.00 0.00 C ATOM 523 C PRO A 36 -1.758 -5.942 9.027 1.00 0.00 C ATOM 524 O PRO A 36 -1.709 -4.925 9.719 1.00 0.00 O ATOM 525 CB PRO A 36 0.691 -6.330 8.616 1.00 0.00 C ATOM 526 CG PRO A 36 1.635 -5.440 7.860 1.00 0.00 C ATOM 527 CD PRO A 36 0.720 -4.343 7.321 1.00 0.00 C ATOM 0 HA PRO A 36 -0.972 -7.051 7.408 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.660 -6.054 9.670 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.017 -7.369 8.568 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.412 -5.034 8.508 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.138 -5.977 7.056 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.652 -3.508 8.018 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.096 -3.943 6.379 1.00 0.00 H new ATOM 535 N VAL A 37 -2.692 -6.875 9.130 1.00 0.00 N ATOM 536 CA VAL A 37 -3.764 -6.758 10.104 1.00 0.00 C ATOM 537 C VAL A 37 -3.873 -8.063 10.895 1.00 0.00 C ATOM 538 O VAL A 37 -4.220 -9.103 10.338 1.00 0.00 O ATOM 539 CB VAL A 37 -5.068 -6.372 9.404 1.00 0.00 C ATOM 540 CG1 VAL A 37 -6.090 -5.833 10.407 1.00 0.00 C ATOM 541 CG2 VAL A 37 -4.811 -5.360 8.286 1.00 0.00 C ATOM 0 H VAL A 37 -2.729 -7.716 8.555 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.547 -5.963 10.817 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.485 -7.272 8.952 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.008 -5.566 9.883 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.307 -6.598 11.152 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.684 -4.950 10.901 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.754 -5.102 7.805 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.360 -4.461 8.706 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.135 -5.795 7.550 1.00 0.00 H new ATOM 551 N ASN A 38 -3.571 -7.966 12.181 1.00 0.00 N ATOM 552 CA ASN A 38 -3.631 -9.126 13.054 1.00 0.00 C ATOM 553 C ASN A 38 -2.515 -10.102 12.676 1.00 0.00 C ATOM 554 O ASN A 38 -2.720 -11.314 12.675 1.00 0.00 O ATOM 555 CB ASN A 38 -4.968 -9.856 12.908 1.00 0.00 C ATOM 556 CG ASN A 38 -5.601 -10.120 14.276 1.00 0.00 C ATOM 557 OD1 ASN A 38 -6.035 -11.217 14.587 1.00 0.00 O ATOM 558 ND2 ASN A 38 -5.628 -9.056 15.074 1.00 0.00 N ATOM 0 H ASN A 38 -3.284 -7.102 12.640 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.519 -8.781 14.082 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.647 -9.260 12.298 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.816 -10.800 12.385 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.029 -9.130 16.009 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.247 -8.167 14.751 1.00 0.00 H new ATOM 565 N GLY A 39 -1.359 -9.536 12.364 1.00 0.00 N ATOM 566 CA GLY A 39 -0.210 -10.341 11.985 1.00 0.00 C ATOM 567 C GLY A 39 -0.548 -11.258 10.808 1.00 0.00 C ATOM 568 O GLY A 39 -0.279 -12.457 10.854 1.00 0.00 O ATOM 0 H GLY A 39 -1.193 -8.530 12.366 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.622 -9.690 11.716 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.116 -10.940 12.836 1.00 0.00 H new ATOM 572 N LYS A 40 -1.131 -10.658 9.780 1.00 0.00 N ATOM 573 CA LYS A 40 -1.508 -11.406 8.593 1.00 0.00 C ATOM 574 C LYS A 40 -2.078 -10.443 7.549 1.00 0.00 C ATOM 575 O LYS A 40 -3.219 -9.999 7.667 1.00 0.00 O ATOM 576 CB LYS A 40 -2.457 -12.549 8.958 1.00 0.00 C ATOM 577 CG LYS A 40 -3.250 -13.016 7.736 1.00 0.00 C ATOM 578 CD LYS A 40 -4.360 -13.988 8.140 1.00 0.00 C ATOM 579 CE LYS A 40 -5.734 -13.322 8.050 1.00 0.00 C ATOM 580 NZ LYS A 40 -6.742 -14.109 8.794 1.00 0.00 N ATOM 0 H LYS A 40 -1.351 -9.663 9.745 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.633 -11.880 8.147 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.887 -13.383 9.366 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.144 -12.221 9.738 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.684 -12.154 7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.579 -13.500 7.026 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.334 -14.864 7.492 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.188 -14.339 9.158 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.682 -12.311 8.455 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.033 -13.232 7.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.669 -13.642 8.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.804 -15.065 8.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.463 -14.173 9.794 1.00 0.00 H new ATOM 594 N GLU A 41 -1.258 -10.149 6.551 1.00 0.00 N ATOM 595 CA GLU A 41 -1.666 -9.247 5.488 1.00 0.00 C ATOM 596 C GLU A 41 -3.170 -9.368 5.237 1.00 0.00 C ATOM 597 O GLU A 41 -3.687 -10.470 5.061 1.00 0.00 O ATOM 598 CB GLU A 41 -0.873 -9.516 4.207 1.00 0.00 C ATOM 599 CG GLU A 41 0.382 -8.643 4.146 1.00 0.00 C ATOM 600 CD GLU A 41 1.349 -9.148 3.073 1.00 0.00 C ATOM 601 OE1 GLU A 41 1.218 -10.335 2.704 1.00 0.00 O ATOM 602 OE2 GLU A 41 2.198 -8.336 2.647 1.00 0.00 O ATOM 0 H GLU A 41 -0.313 -10.520 6.456 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.451 -8.226 5.802 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.591 -10.568 4.164 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.501 -9.318 3.338 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.102 -7.612 3.932 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.878 -8.644 5.117 1.00 0.00 H new ATOM 609 N ASP A 42 -3.830 -8.219 5.229 1.00 0.00 N ATOM 610 CA ASP A 42 -5.265 -8.183 5.003 1.00 0.00 C ATOM 611 C ASP A 42 -5.550 -7.472 3.679 1.00 0.00 C ATOM 612 O ASP A 42 -4.954 -6.451 3.344 1.00 0.00 O ATOM 613 CB ASP A 42 -5.979 -7.413 6.117 1.00 0.00 C ATOM 614 CG ASP A 42 -7.498 -7.319 5.966 1.00 0.00 C ATOM 615 OD1 ASP A 42 -7.934 -6.641 5.011 1.00 0.00 O ATOM 616 OD2 ASP A 42 -8.191 -7.927 6.811 1.00 0.00 O ATOM 0 H ASP A 42 -3.398 -7.307 5.375 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.630 -9.210 4.984 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.752 -7.890 7.071 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.570 -6.404 6.160 1.00 0.00 H new ATOM 621 N TYR A 43 -6.490 -8.043 2.923 1.00 0.00 N ATOM 622 CA TYR A 43 -6.875 -7.494 1.638 1.00 0.00 C ATOM 623 C TYR A 43 -8.389 -7.354 1.570 1.00 0.00 C ATOM 624 O TYR A 43 -8.930 -7.279 0.467 1.00 0.00 O ATOM 625 CB TYR A 43 -6.365 -8.403 0.524 1.00 0.00 C ATOM 626 CG TYR A 43 -4.906 -8.190 0.193 1.00 0.00 C ATOM 627 CD1 TYR A 43 -3.928 -8.406 1.171 1.00 0.00 C ATOM 628 CD2 TYR A 43 -4.533 -7.778 -1.091 1.00 0.00 C ATOM 629 CE1 TYR A 43 -2.576 -8.208 0.865 1.00 0.00 C ATOM 630 CE2 TYR A 43 -3.181 -7.580 -1.398 1.00 0.00 C ATOM 631 CZ TYR A 43 -2.203 -7.796 -0.420 1.00 0.00 C ATOM 632 OH TYR A 43 -0.886 -7.603 -0.718 1.00 0.00 O ATOM 0 H TYR A 43 -6.996 -8.889 3.187 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.433 -6.506 1.513 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.515 -9.442 0.816 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -6.961 -8.235 -0.373 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.216 -8.725 2.162 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.288 -7.613 -1.846 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.821 -8.373 1.620 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.893 -7.261 -2.389 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.366 -7.558 0.112 1.00 0.00 H new ATOM 642 N ARG A 44 -9.035 -7.321 2.726 1.00 0.00 N ATOM 643 CA ARG A 44 -10.481 -7.190 2.772 1.00 0.00 C ATOM 644 C ARG A 44 -10.881 -5.713 2.764 1.00 0.00 C ATOM 645 O ARG A 44 -10.028 -4.835 2.887 1.00 0.00 O ATOM 646 CB ARG A 44 -11.056 -7.860 4.021 1.00 0.00 C ATOM 647 CG ARG A 44 -10.158 -9.006 4.491 1.00 0.00 C ATOM 648 CD ARG A 44 -10.903 -9.924 5.463 1.00 0.00 C ATOM 649 NE ARG A 44 -9.938 -10.613 6.348 1.00 0.00 N ATOM 650 CZ ARG A 44 -10.254 -11.131 7.554 1.00 0.00 C ATOM 651 NH1 ARG A 44 -11.515 -11.042 8.029 1.00 0.00 N ATOM 652 NH2 ARG A 44 -9.312 -11.726 8.262 1.00 0.00 N ATOM 0 H ARG A 44 -8.583 -7.383 3.638 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.886 -7.685 1.889 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.159 -7.124 4.818 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.055 -8.240 3.807 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -9.817 -9.582 3.631 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -9.270 -8.601 4.976 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -11.605 -9.342 6.060 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.488 -10.657 4.908 1.00 0.00 H new ATOM 0 HE ARG A 44 -8.974 -10.702 6.027 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.237 -10.581 7.476 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.745 -11.436 8.941 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.362 -11.789 7.896 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.534 -12.123 9.175 1.00 0.00 H new ATOM 665 N LYS A 45 -12.178 -5.484 2.618 1.00 0.00 N ATOM 666 CA LYS A 45 -12.701 -4.129 2.593 1.00 0.00 C ATOM 667 C LYS A 45 -11.960 -3.282 3.631 1.00 0.00 C ATOM 668 O LYS A 45 -11.941 -3.620 4.813 1.00 0.00 O ATOM 669 CB LYS A 45 -14.220 -4.137 2.777 1.00 0.00 C ATOM 670 CG LYS A 45 -14.874 -5.193 1.884 1.00 0.00 C ATOM 671 CD LYS A 45 -16.297 -4.782 1.501 1.00 0.00 C ATOM 672 CE LYS A 45 -16.801 -5.597 0.308 1.00 0.00 C ATOM 673 NZ LYS A 45 -16.558 -4.869 -0.957 1.00 0.00 N ATOM 0 H LYS A 45 -12.882 -6.215 2.516 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.524 -3.670 1.620 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.463 -4.337 3.821 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.624 -3.153 2.539 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.277 -5.333 0.983 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.896 -6.151 2.404 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.963 -4.927 2.352 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.319 -3.720 1.256 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.297 -6.563 0.281 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.867 -5.797 0.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.906 -5.436 -1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.059 -3.958 -0.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.538 -4.701 -1.070 1.00 0.00 H new ATOM 687 N CYS A 46 -11.369 -2.198 3.150 1.00 0.00 N ATOM 688 CA CYS A 46 -10.630 -1.301 4.021 1.00 0.00 C ATOM 689 C CYS A 46 -11.439 -1.103 5.305 1.00 0.00 C ATOM 690 O CYS A 46 -10.882 -1.115 6.402 1.00 0.00 O ATOM 691 CB CYS A 46 -10.320 0.029 3.331 1.00 0.00 C ATOM 692 SG CYS A 46 -8.922 -0.026 2.152 1.00 0.00 S ATOM 0 H CYS A 46 -11.387 -1.921 2.168 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.664 -1.742 4.266 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -11.211 0.363 2.800 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.104 0.777 4.094 1.00 0.00 H new ATOM 697 N GLY A 47 -12.739 -0.924 5.126 1.00 0.00 N ATOM 698 CA GLY A 47 -13.630 -0.724 6.256 1.00 0.00 C ATOM 699 C GLY A 47 -14.024 -2.061 6.887 1.00 0.00 C ATOM 700 O GLY A 47 -13.314 -2.577 7.749 1.00 0.00 O ATOM 0 H GLY A 47 -13.197 -0.913 4.215 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.142 -0.096 7.001 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.525 -0.194 5.929 1.00 0.00 H new ATOM 704 N THR A 48 -15.154 -2.582 6.434 1.00 0.00 N ATOM 705 CA THR A 48 -15.651 -3.849 6.943 1.00 0.00 C ATOM 706 C THR A 48 -15.802 -3.790 8.465 1.00 0.00 C ATOM 707 O THR A 48 -15.072 -3.062 9.136 1.00 0.00 O ATOM 708 CB THR A 48 -14.704 -4.954 6.469 1.00 0.00 C ATOM 709 OG1 THR A 48 -15.516 -5.769 5.629 1.00 0.00 O ATOM 710 CG2 THR A 48 -14.283 -5.890 7.603 1.00 0.00 C ATOM 0 H THR A 48 -15.740 -2.150 5.720 1.00 0.00 H new ATOM 0 HA THR A 48 -16.647 -4.067 6.557 1.00 0.00 H new ATOM 0 HB THR A 48 -13.817 -4.505 6.021 1.00 0.00 H new ATOM 0 HG1 THR A 48 -14.981 -6.510 5.276 1.00 0.00 H new ATOM 0 HG21 THR A 48 -13.612 -6.655 7.213 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.770 -5.317 8.376 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.166 -6.365 8.029 1.00 0.00 H new ATOM 718 N ALA A 49 -16.753 -4.565 8.964 1.00 0.00 N ATOM 719 CA ALA A 49 -17.009 -4.609 10.393 1.00 0.00 C ATOM 720 C ALA A 49 -15.833 -5.290 11.097 1.00 0.00 C ATOM 721 O ALA A 49 -15.516 -6.443 10.808 1.00 0.00 O ATOM 722 CB ALA A 49 -18.337 -5.325 10.653 1.00 0.00 C ATOM 0 H ALA A 49 -17.356 -5.168 8.404 1.00 0.00 H new ATOM 0 HA ALA A 49 -17.097 -3.601 10.798 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.529 -5.358 11.725 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.144 -4.786 10.156 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.285 -6.341 10.262 1.00 0.00 H new ATOM 728 N GLY A 50 -15.219 -4.547 12.006 1.00 0.00 N ATOM 729 CA GLY A 50 -14.084 -5.065 12.752 1.00 0.00 C ATOM 730 C GLY A 50 -12.845 -4.192 12.542 1.00 0.00 C ATOM 731 O GLY A 50 -11.828 -4.381 13.207 1.00 0.00 O ATOM 0 H GLY A 50 -15.485 -3.591 12.243 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -14.329 -5.105 13.813 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.872 -6.086 12.435 1.00 0.00 H new ATOM 735 N CYS A 51 -12.971 -3.255 11.613 1.00 0.00 N ATOM 736 CA CYS A 51 -11.874 -2.353 11.307 1.00 0.00 C ATOM 737 C CYS A 51 -12.438 -0.937 11.182 1.00 0.00 C ATOM 738 O CYS A 51 -13.293 -0.527 11.964 1.00 0.00 O ATOM 739 CB CYS A 51 -11.125 -2.783 10.044 1.00 0.00 C ATOM 740 SG CYS A 51 -10.905 -4.600 10.034 1.00 0.00 S ATOM 0 H CYS A 51 -13.816 -3.101 11.063 1.00 0.00 H new ATOM 0 HA CYS A 51 -11.140 -2.381 12.113 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -11.679 -2.471 9.159 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -10.153 -2.291 10.002 1.00 0.00 H new ATOM 745 N HIS A 52 -11.933 -0.215 10.180 1.00 0.00 N ATOM 746 CA HIS A 52 -12.348 1.155 9.903 1.00 0.00 C ATOM 747 C HIS A 52 -13.858 1.191 9.601 1.00 0.00 C ATOM 748 O HIS A 52 -14.259 1.069 8.444 1.00 0.00 O ATOM 749 CB HIS A 52 -11.465 1.725 8.783 1.00 0.00 C ATOM 750 CG HIS A 52 -9.972 1.552 8.940 1.00 0.00 C ATOM 751 ND1 HIS A 52 -9.237 2.330 9.739 1.00 0.00 N ATOM 752 CD2 HIS A 52 -9.099 0.657 8.368 1.00 0.00 C ATOM 753 CE1 HIS A 52 -7.956 1.936 9.669 1.00 0.00 C ATOM 754 NE2 HIS A 52 -7.815 0.907 8.837 1.00 0.00 N ATOM 0 H HIS A 52 -11.223 -0.568 9.538 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.205 1.799 10.771 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -11.764 1.260 7.844 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -11.676 2.790 8.692 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.591 3.098 10.309 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.368 -0.118 7.665 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.145 2.394 10.216 1.00 0.00 H new ATOM 762 N ASP A 53 -14.643 1.359 10.654 1.00 0.00 N ATOM 763 CA ASP A 53 -16.088 1.412 10.510 1.00 0.00 C ATOM 764 C ASP A 53 -16.560 2.857 10.681 1.00 0.00 C ATOM 765 O ASP A 53 -17.679 3.198 10.299 1.00 0.00 O ATOM 766 CB ASP A 53 -16.780 0.559 11.575 1.00 0.00 C ATOM 767 CG ASP A 53 -16.771 1.152 12.985 1.00 0.00 C ATOM 768 OD1 ASP A 53 -15.711 1.694 13.366 1.00 0.00 O ATOM 769 OD2 ASP A 53 -17.824 1.051 13.650 1.00 0.00 O ATOM 0 H ASP A 53 -14.306 1.460 11.611 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.343 1.030 9.521 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -17.814 0.396 11.272 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.299 -0.418 11.605 1.00 0.00 H new ATOM 774 N SER A 54 -15.684 3.668 11.256 1.00 0.00 N ATOM 775 CA SER A 54 -15.998 5.069 11.483 1.00 0.00 C ATOM 776 C SER A 54 -16.242 5.773 10.147 1.00 0.00 C ATOM 777 O SER A 54 -15.353 5.826 9.297 1.00 0.00 O ATOM 778 CB SER A 54 -14.876 5.767 12.254 1.00 0.00 C ATOM 779 OG SER A 54 -14.788 7.152 11.932 1.00 0.00 O ATOM 0 H SER A 54 -14.757 3.382 11.571 1.00 0.00 H new ATOM 0 HA SER A 54 -16.904 5.123 12.086 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.047 5.654 13.325 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.926 5.282 12.030 1.00 0.00 H new ATOM 0 HG SER A 54 -14.782 7.680 12.758 1.00 0.00 H new ATOM 785 N MET A 55 -17.450 6.298 10.002 1.00 0.00 N ATOM 786 CA MET A 55 -17.821 6.997 8.784 1.00 0.00 C ATOM 787 C MET A 55 -18.661 8.237 9.098 1.00 0.00 C ATOM 788 O MET A 55 -19.817 8.329 8.687 1.00 0.00 O ATOM 789 CB MET A 55 -18.618 6.056 7.878 1.00 0.00 C ATOM 790 CG MET A 55 -17.828 4.780 7.582 1.00 0.00 C ATOM 791 SD MET A 55 -18.907 3.541 6.886 1.00 0.00 S ATOM 792 CE MET A 55 -17.776 2.740 5.762 1.00 0.00 C ATOM 0 H MET A 55 -18.184 6.253 10.708 1.00 0.00 H new ATOM 0 HA MET A 55 -16.910 7.317 8.279 1.00 0.00 H new ATOM 0 HB2 MET A 55 -19.564 5.800 8.356 1.00 0.00 H new ATOM 0 HB3 MET A 55 -18.860 6.563 6.944 1.00 0.00 H new ATOM 0 HG2 MET A 55 -17.016 4.998 6.888 1.00 0.00 H new ATOM 0 HG3 MET A 55 -17.372 4.404 8.498 1.00 0.00 H new ATOM 0 HE1 MET A 55 -18.162 1.755 5.498 1.00 0.00 H new ATOM 0 HE2 MET A 55 -17.672 3.343 4.860 1.00 0.00 H new ATOM 0 HE3 MET A 55 -16.803 2.632 6.241 1.00 0.00 H new ATOM 802 N ASP A 56 -18.048 9.160 9.824 1.00 0.00 N ATOM 803 CA ASP A 56 -18.724 10.390 10.198 1.00 0.00 C ATOM 804 C ASP A 56 -17.750 11.563 10.069 1.00 0.00 C ATOM 805 O ASP A 56 -16.583 11.370 9.731 1.00 0.00 O ATOM 806 CB ASP A 56 -19.207 10.334 11.649 1.00 0.00 C ATOM 807 CG ASP A 56 -20.292 11.351 12.009 1.00 0.00 C ATOM 808 OD1 ASP A 56 -20.987 11.797 11.070 1.00 0.00 O ATOM 809 OD2 ASP A 56 -20.401 11.661 13.215 1.00 0.00 O ATOM 0 H ASP A 56 -17.089 9.080 10.163 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.581 10.517 9.537 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -19.587 9.333 11.851 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.352 10.489 12.307 1.00 0.00 H new ATOM 814 N LYS A 57 -18.265 12.752 10.344 1.00 0.00 N ATOM 815 CA LYS A 57 -17.455 13.955 10.263 1.00 0.00 C ATOM 816 C LYS A 57 -17.159 14.462 11.676 1.00 0.00 C ATOM 817 O LYS A 57 -17.847 15.348 12.179 1.00 0.00 O ATOM 818 CB LYS A 57 -18.129 14.995 9.366 1.00 0.00 C ATOM 819 CG LYS A 57 -17.142 16.091 8.960 1.00 0.00 C ATOM 820 CD LYS A 57 -17.879 17.357 8.517 1.00 0.00 C ATOM 821 CE LYS A 57 -17.133 18.613 8.970 1.00 0.00 C ATOM 822 NZ LYS A 57 -17.783 19.826 8.426 1.00 0.00 N ATOM 0 H LYS A 57 -19.234 12.908 10.623 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.495 13.737 9.794 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -18.525 14.509 8.474 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -18.975 15.439 9.890 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.486 16.323 9.799 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.508 15.732 8.149 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.981 17.362 7.432 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -18.887 17.359 8.932 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.115 18.660 10.059 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.096 18.568 8.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.264 20.670 8.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.778 19.786 7.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.765 19.876 8.765 1.00 0.00 H new ATOM 836 N LYS A 58 -16.133 13.877 12.277 1.00 0.00 N ATOM 837 CA LYS A 58 -15.737 14.258 13.622 1.00 0.00 C ATOM 838 C LYS A 58 -14.835 13.171 14.210 1.00 0.00 C ATOM 839 O LYS A 58 -13.611 13.280 14.157 1.00 0.00 O ATOM 840 CB LYS A 58 -16.969 14.563 14.477 1.00 0.00 C ATOM 841 CG LYS A 58 -17.165 16.072 14.637 1.00 0.00 C ATOM 842 CD LYS A 58 -18.621 16.404 14.967 1.00 0.00 C ATOM 843 CE LYS A 58 -18.931 17.872 14.663 1.00 0.00 C ATOM 844 NZ LYS A 58 -20.372 18.148 14.859 1.00 0.00 N ATOM 0 H LYS A 58 -15.564 13.142 11.857 1.00 0.00 H new ATOM 0 HA LYS A 58 -15.155 15.180 13.601 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -17.854 14.125 14.016 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -16.859 14.101 15.458 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -16.515 16.445 15.429 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.872 16.580 13.718 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -19.284 15.761 14.389 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -18.815 16.198 16.020 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -18.339 18.517 15.313 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -18.646 18.105 13.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -20.566 19.148 14.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -20.931 17.546 14.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -20.633 17.945 15.845 1.00 0.00 H new ATOM 858 N ASP A 59 -15.474 12.148 14.759 1.00 0.00 N ATOM 859 CA ASP A 59 -14.745 11.043 15.356 1.00 0.00 C ATOM 860 C ASP A 59 -13.533 10.706 14.484 1.00 0.00 C ATOM 861 O ASP A 59 -13.681 10.409 13.300 1.00 0.00 O ATOM 862 CB ASP A 59 -15.621 9.792 15.453 1.00 0.00 C ATOM 863 CG ASP A 59 -14.878 8.511 15.835 1.00 0.00 C ATOM 864 OD1 ASP A 59 -14.470 8.421 17.013 1.00 0.00 O ATOM 865 OD2 ASP A 59 -14.736 7.649 14.941 1.00 0.00 O ATOM 0 H ASP A 59 -16.489 12.062 14.803 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.437 11.345 16.357 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.405 9.972 16.188 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -16.113 9.636 14.493 1.00 0.00 H new ATOM 870 N LYS A 60 -12.364 10.763 15.104 1.00 0.00 N ATOM 871 CA LYS A 60 -11.128 10.467 14.399 1.00 0.00 C ATOM 872 C LYS A 60 -10.622 9.087 14.823 1.00 0.00 C ATOM 873 O LYS A 60 -11.412 8.166 15.019 1.00 0.00 O ATOM 874 CB LYS A 60 -10.109 11.589 14.611 1.00 0.00 C ATOM 875 CG LYS A 60 -10.727 12.956 14.312 1.00 0.00 C ATOM 876 CD LYS A 60 -11.304 12.998 12.895 1.00 0.00 C ATOM 877 CE LYS A 60 -11.824 14.396 12.557 1.00 0.00 C ATOM 878 NZ LYS A 60 -13.159 14.314 11.924 1.00 0.00 N ATOM 0 H LYS A 60 -12.246 11.010 16.087 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.302 10.426 13.324 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.747 11.567 15.639 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.246 11.427 13.966 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.514 13.170 15.036 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.971 13.733 14.424 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.537 12.708 12.177 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.114 12.274 12.806 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.882 14.998 13.464 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.127 14.897 11.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.673 15.204 12.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.049 14.153 10.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -13.694 13.527 12.343 1.00 0.00 H new ATOM 892 N SER A 61 -9.307 8.988 14.951 1.00 0.00 N ATOM 893 CA SER A 61 -8.686 7.736 15.347 1.00 0.00 C ATOM 894 C SER A 61 -8.460 6.852 14.119 1.00 0.00 C ATOM 895 O SER A 61 -9.030 7.101 13.058 1.00 0.00 O ATOM 896 CB SER A 61 -9.540 7.000 16.382 1.00 0.00 C ATOM 897 OG SER A 61 -8.744 6.257 17.301 1.00 0.00 O ATOM 0 H SER A 61 -8.654 9.755 14.787 1.00 0.00 H new ATOM 0 HA SER A 61 -7.723 7.962 15.805 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.147 7.721 16.929 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.228 6.326 15.871 1.00 0.00 H new ATOM 0 HG SER A 61 -9.326 5.804 17.946 1.00 0.00 H new ATOM 903 N ALA A 62 -7.628 5.838 14.304 1.00 0.00 N ATOM 904 CA ALA A 62 -7.320 4.916 13.224 1.00 0.00 C ATOM 905 C ALA A 62 -8.621 4.316 12.686 1.00 0.00 C ATOM 906 O ALA A 62 -8.691 3.918 11.524 1.00 0.00 O ATOM 907 CB ALA A 62 -6.349 3.846 13.727 1.00 0.00 C ATOM 0 H ALA A 62 -7.157 5.634 15.186 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.832 5.438 12.401 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.118 3.154 12.917 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.430 4.321 14.071 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.806 3.299 14.552 1.00 0.00 H new ATOM 913 N LYS A 63 -9.619 4.270 13.556 1.00 0.00 N ATOM 914 CA LYS A 63 -10.913 3.725 13.182 1.00 0.00 C ATOM 915 C LYS A 63 -11.512 4.571 12.058 1.00 0.00 C ATOM 916 O LYS A 63 -12.278 4.067 11.237 1.00 0.00 O ATOM 917 CB LYS A 63 -11.818 3.604 14.410 1.00 0.00 C ATOM 918 CG LYS A 63 -11.507 2.329 15.196 1.00 0.00 C ATOM 919 CD LYS A 63 -11.354 2.628 16.689 1.00 0.00 C ATOM 920 CE LYS A 63 -10.200 1.826 17.293 1.00 0.00 C ATOM 921 NZ LYS A 63 -8.899 2.387 16.865 1.00 0.00 N ATOM 0 H LYS A 63 -9.558 4.601 14.519 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.803 2.712 12.795 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.683 4.474 15.053 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.862 3.597 14.098 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.305 1.602 15.047 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.590 1.878 14.816 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.176 3.694 16.834 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.281 2.386 17.209 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.269 1.841 18.381 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.273 0.783 16.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.144 2.021 17.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.709 2.111 15.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.929 3.424 16.934 1.00 0.00 H new ATOM 935 N GLY A 64 -11.142 5.844 12.056 1.00 0.00 N ATOM 936 CA GLY A 64 -11.634 6.765 11.045 1.00 0.00 C ATOM 937 C GLY A 64 -11.410 6.206 9.639 1.00 0.00 C ATOM 938 O GLY A 64 -10.285 6.003 9.187 1.00 0.00 O ATOM 0 H GLY A 64 -10.507 6.259 12.738 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.697 6.949 11.202 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.126 7.724 11.144 1.00 0.00 H new ATOM 942 N TYR A 65 -12.525 5.957 8.947 1.00 0.00 N ATOM 943 CA TYR A 65 -12.484 5.424 7.600 1.00 0.00 C ATOM 944 C TYR A 65 -11.898 6.461 6.652 1.00 0.00 C ATOM 945 O TYR A 65 -11.038 6.142 5.834 1.00 0.00 O ATOM 946 CB TYR A 65 -13.893 5.031 7.168 1.00 0.00 C ATOM 947 CG TYR A 65 -13.930 4.237 5.884 1.00 0.00 C ATOM 948 CD1 TYR A 65 -12.872 3.379 5.561 1.00 0.00 C ATOM 949 CD2 TYR A 65 -15.022 4.359 5.016 1.00 0.00 C ATOM 950 CE1 TYR A 65 -12.907 2.642 4.371 1.00 0.00 C ATOM 951 CE2 TYR A 65 -15.057 3.623 3.826 1.00 0.00 C ATOM 952 CZ TYR A 65 -13.999 2.764 3.503 1.00 0.00 C ATOM 953 OH TYR A 65 -14.032 2.046 2.344 1.00 0.00 O ATOM 0 H TYR A 65 -13.466 6.120 9.306 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.849 4.538 7.574 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -14.358 4.446 7.961 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.492 5.933 7.045 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.029 3.286 6.230 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.838 5.021 5.265 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -12.091 1.979 4.122 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.900 3.717 3.157 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.380 2.608 1.621 1.00 0.00 H new ATOM 963 N TYR A 66 -12.367 7.706 6.764 1.00 0.00 N ATOM 964 CA TYR A 66 -11.889 8.780 5.917 1.00 0.00 C ATOM 965 C TYR A 66 -10.566 9.310 6.453 1.00 0.00 C ATOM 966 O TYR A 66 -9.989 10.203 5.834 1.00 0.00 O ATOM 967 CB TYR A 66 -12.935 9.890 5.867 1.00 0.00 C ATOM 968 CG TYR A 66 -12.344 11.268 5.690 1.00 0.00 C ATOM 969 CD1 TYR A 66 -11.643 11.869 6.742 1.00 0.00 C ATOM 970 CD2 TYR A 66 -12.498 11.945 4.474 1.00 0.00 C ATOM 971 CE1 TYR A 66 -11.095 13.147 6.579 1.00 0.00 C ATOM 972 CE2 TYR A 66 -11.951 13.223 4.311 1.00 0.00 C ATOM 973 CZ TYR A 66 -11.249 13.824 5.363 1.00 0.00 C ATOM 974 OH TYR A 66 -10.716 15.070 5.203 1.00 0.00 O ATOM 0 H TYR A 66 -13.079 7.987 7.438 1.00 0.00 H new ATOM 0 HA TYR A 66 -11.725 8.406 4.906 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -13.625 9.691 5.047 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -13.519 9.869 6.787 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -11.525 11.347 7.680 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -13.039 11.481 3.662 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.554 13.610 7.391 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -12.070 13.746 3.374 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.913 15.397 4.300 1.00 0.00 H new ATOM 984 N HIS A 67 -10.117 8.762 7.572 1.00 0.00 N ATOM 985 CA HIS A 67 -8.864 9.195 8.167 1.00 0.00 C ATOM 986 C HIS A 67 -7.745 8.231 7.766 1.00 0.00 C ATOM 987 O HIS A 67 -6.572 8.494 8.024 1.00 0.00 O ATOM 988 CB HIS A 67 -9.004 9.342 9.683 1.00 0.00 C ATOM 989 CG HIS A 67 -7.709 9.169 10.440 1.00 0.00 C ATOM 990 ND1 HIS A 67 -6.854 10.222 10.713 1.00 0.00 N ATOM 991 CD2 HIS A 67 -7.134 8.056 10.978 1.00 0.00 C ATOM 992 CE1 HIS A 67 -5.813 9.752 11.385 1.00 0.00 C ATOM 993 NE2 HIS A 67 -5.988 8.410 11.548 1.00 0.00 N ATOM 0 H HIS A 67 -10.598 8.022 8.083 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.600 10.182 7.788 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.414 10.327 9.906 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.724 8.608 10.044 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -7.000 11.195 10.443 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.541 7.056 10.946 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.973 10.331 11.741 1.00 0.00 H new ATOM 1001 N VAL A 68 -8.148 7.134 7.141 1.00 0.00 N ATOM 1002 CA VAL A 68 -7.195 6.129 6.702 1.00 0.00 C ATOM 1003 C VAL A 68 -7.087 6.167 5.177 1.00 0.00 C ATOM 1004 O VAL A 68 -6.556 5.241 4.565 1.00 0.00 O ATOM 1005 CB VAL A 68 -7.598 4.755 7.240 1.00 0.00 C ATOM 1006 CG1 VAL A 68 -7.443 4.694 8.761 1.00 0.00 C ATOM 1007 CG2 VAL A 68 -9.025 4.399 6.819 1.00 0.00 C ATOM 0 H VAL A 68 -9.122 6.919 6.928 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.204 6.341 7.103 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.926 4.015 6.806 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.736 3.706 9.117 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.403 4.882 9.029 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.079 5.450 9.222 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.287 3.418 7.214 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.717 5.145 7.211 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.090 4.381 5.731 1.00 0.00 H new ATOM 1017 N MET A 69 -7.600 7.247 4.606 1.00 0.00 N ATOM 1018 CA MET A 69 -7.569 7.417 3.163 1.00 0.00 C ATOM 1019 C MET A 69 -7.498 8.898 2.787 1.00 0.00 C ATOM 1020 O MET A 69 -8.004 9.309 1.744 1.00 0.00 O ATOM 1021 CB MET A 69 -8.823 6.793 2.548 1.00 0.00 C ATOM 1022 CG MET A 69 -9.836 6.417 3.631 1.00 0.00 C ATOM 1023 SD MET A 69 -11.032 5.266 2.975 1.00 0.00 S ATOM 1024 CE MET A 69 -10.318 3.727 3.531 1.00 0.00 C ATOM 0 H MET A 69 -8.039 8.013 5.116 1.00 0.00 H new ATOM 0 HA MET A 69 -6.679 6.920 2.777 1.00 0.00 H new ATOM 0 HB2 MET A 69 -9.277 7.495 1.848 1.00 0.00 H new ATOM 0 HB3 MET A 69 -8.549 5.906 1.977 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.322 5.973 4.483 1.00 0.00 H new ATOM 0 HG3 MET A 69 -10.341 7.312 3.994 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.658 2.915 2.888 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.231 3.794 3.488 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.629 3.531 4.557 1.00 0.00 H new ATOM 1034 N HIS A 70 -6.860 9.673 3.665 1.00 0.00 N ATOM 1035 CA HIS A 70 -6.693 11.110 3.477 1.00 0.00 C ATOM 1036 C HIS A 70 -5.405 11.579 4.179 1.00 0.00 C ATOM 1037 O HIS A 70 -4.368 11.726 3.534 1.00 0.00 O ATOM 1038 CB HIS A 70 -7.967 11.825 3.951 1.00 0.00 C ATOM 1039 CG HIS A 70 -9.213 11.611 3.123 1.00 0.00 C ATOM 1040 ND1 HIS A 70 -10.133 10.692 3.430 1.00 0.00 N ATOM 1041 CD2 HIS A 70 -9.662 12.234 1.982 1.00 0.00 C ATOM 1042 CE1 HIS A 70 -11.116 10.739 2.517 1.00 0.00 C ATOM 1043 NE2 HIS A 70 -10.875 11.674 1.600 1.00 0.00 N ATOM 0 H HIS A 70 -6.445 9.319 4.527 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.566 11.363 2.424 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.177 11.505 4.971 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.763 12.895 3.988 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -10.095 10.058 4.228 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.152 13.033 1.464 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.988 10.102 2.525 1.00 0.00 H new ATOM 1051 N ASP A 71 -5.517 11.799 5.481 1.00 0.00 N ATOM 1052 CA ASP A 71 -4.378 12.245 6.265 1.00 0.00 C ATOM 1053 C ASP A 71 -3.178 11.341 5.973 1.00 0.00 C ATOM 1054 O ASP A 71 -3.346 10.167 5.649 1.00 0.00 O ATOM 1055 CB ASP A 71 -4.676 12.165 7.764 1.00 0.00 C ATOM 1056 CG ASP A 71 -5.696 13.184 8.275 1.00 0.00 C ATOM 1057 OD1 ASP A 71 -5.425 14.392 8.108 1.00 0.00 O ATOM 1058 OD2 ASP A 71 -6.725 12.731 8.822 1.00 0.00 O ATOM 0 H ASP A 71 -6.379 11.677 6.012 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.166 13.279 5.994 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.039 11.163 7.994 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.744 12.300 8.312 1.00 0.00 H new ATOM 1063 N LYS A 72 -1.995 11.924 6.099 1.00 0.00 N ATOM 1064 CA LYS A 72 -0.768 11.186 5.853 1.00 0.00 C ATOM 1065 C LYS A 72 -0.018 10.997 7.173 1.00 0.00 C ATOM 1066 O LYS A 72 0.788 10.077 7.307 1.00 0.00 O ATOM 1067 CB LYS A 72 0.062 11.874 4.767 1.00 0.00 C ATOM 1068 CG LYS A 72 0.582 13.229 5.251 1.00 0.00 C ATOM 1069 CD LYS A 72 2.065 13.399 4.913 1.00 0.00 C ATOM 1070 CE LYS A 72 2.250 14.329 3.712 1.00 0.00 C ATOM 1071 NZ LYS A 72 3.277 13.789 2.793 1.00 0.00 N ATOM 0 H LYS A 72 -1.860 12.899 6.368 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.992 10.191 5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.901 11.237 4.487 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.545 12.012 3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.006 14.030 4.788 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.439 13.314 6.328 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.594 13.803 5.776 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.506 12.426 4.696 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.304 14.443 3.183 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.545 15.321 4.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.812 14.574 2.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.927 13.173 3.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.815 13.240 2.040 1.00 0.00 H new ATOM 1085 N ASN A 73 -0.309 11.882 8.115 1.00 0.00 N ATOM 1086 CA ASN A 73 0.327 11.824 9.419 1.00 0.00 C ATOM 1087 C ASN A 73 0.097 10.442 10.033 1.00 0.00 C ATOM 1088 O ASN A 73 0.815 10.037 10.946 1.00 0.00 O ATOM 1089 CB ASN A 73 -0.266 12.867 10.368 1.00 0.00 C ATOM 1090 CG ASN A 73 0.661 14.077 10.501 1.00 0.00 C ATOM 1091 OD1 ASN A 73 1.114 14.656 9.527 1.00 0.00 O ATOM 1092 ND2 ASN A 73 0.918 14.427 11.759 1.00 0.00 N ATOM 0 H ASN A 73 -0.978 12.644 8.000 1.00 0.00 H new ATOM 0 HA ASN A 73 1.390 12.022 9.284 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.239 13.189 9.998 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.430 12.420 11.349 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.526 15.222 11.953 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.507 13.900 12.529 1.00 0.00 H new ATOM 1099 N THR A 74 -0.906 9.755 9.507 1.00 0.00 N ATOM 1100 CA THR A 74 -1.240 8.427 9.992 1.00 0.00 C ATOM 1101 C THR A 74 0.000 7.530 9.984 1.00 0.00 C ATOM 1102 O THR A 74 1.007 7.862 9.361 1.00 0.00 O ATOM 1103 CB THR A 74 -2.387 7.885 9.137 1.00 0.00 C ATOM 1104 OG1 THR A 74 -1.964 8.124 7.797 1.00 0.00 O ATOM 1105 CG2 THR A 74 -3.664 8.715 9.278 1.00 0.00 C ATOM 0 H THR A 74 -1.499 10.093 8.749 1.00 0.00 H new ATOM 0 HA THR A 74 -1.575 8.457 11.029 1.00 0.00 H new ATOM 0 HB THR A 74 -2.592 6.852 9.417 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.809 7.268 7.345 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.447 8.288 8.651 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.989 8.709 10.318 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.468 9.741 8.965 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.115 6.409 10.682 1.00 0.00 N ATOM 1114 CA LYS A 75 0.984 5.462 10.763 1.00 0.00 C ATOM 1115 C LYS A 75 1.305 4.939 9.361 1.00 0.00 C ATOM 1116 O LYS A 75 2.471 4.762 9.013 1.00 0.00 O ATOM 1117 CB LYS A 75 0.666 4.358 11.773 1.00 0.00 C ATOM 1118 CG LYS A 75 1.912 3.529 12.090 1.00 0.00 C ATOM 1119 CD LYS A 75 1.530 2.157 12.650 1.00 0.00 C ATOM 1120 CE LYS A 75 2.771 1.288 12.864 1.00 0.00 C ATOM 1121 NZ LYS A 75 2.440 -0.143 12.677 1.00 0.00 N ATOM 0 H LYS A 75 -0.952 6.136 11.196 1.00 0.00 H new ATOM 0 HA LYS A 75 1.884 5.953 11.134 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.276 4.800 12.690 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.115 3.710 11.375 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.509 3.404 11.187 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.533 4.060 12.811 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.001 2.280 13.595 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.846 1.658 11.964 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.553 1.581 12.163 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.166 1.448 13.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.303 -0.715 12.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.747 -0.436 13.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.037 -0.285 11.729 1.00 0.00 H new ATOM 1135 N PHE A 76 0.249 4.707 8.595 1.00 0.00 N ATOM 1136 CA PHE A 76 0.405 4.208 7.239 1.00 0.00 C ATOM 1137 C PHE A 76 -0.150 5.206 6.221 1.00 0.00 C ATOM 1138 O PHE A 76 -0.988 6.042 6.558 1.00 0.00 O ATOM 1139 CB PHE A 76 -0.395 2.907 7.147 1.00 0.00 C ATOM 1140 CG PHE A 76 0.093 1.808 8.094 1.00 0.00 C ATOM 1141 CD1 PHE A 76 1.417 1.701 8.386 1.00 0.00 C ATOM 1142 CD2 PHE A 76 -0.797 0.940 8.644 1.00 0.00 C ATOM 1143 CE1 PHE A 76 1.870 0.682 9.265 1.00 0.00 C ATOM 1144 CE2 PHE A 76 -0.344 -0.080 9.523 1.00 0.00 C ATOM 1145 CZ PHE A 76 0.980 -0.187 9.815 1.00 0.00 C ATOM 0 H PHE A 76 -0.717 4.855 8.887 1.00 0.00 H new ATOM 0 HA PHE A 76 1.461 4.053 7.018 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.442 3.120 7.363 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.350 2.536 6.123 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.124 2.391 7.949 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.848 1.026 8.413 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.921 0.597 9.497 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.051 -0.770 9.959 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.325 -0.962 10.484 1.00 0.00 H new ATOM 1155 N LYS A 77 0.339 5.086 4.995 1.00 0.00 N ATOM 1156 CA LYS A 77 -0.097 5.967 3.926 1.00 0.00 C ATOM 1157 C LYS A 77 -1.595 5.767 3.685 1.00 0.00 C ATOM 1158 O LYS A 77 -2.150 4.727 4.035 1.00 0.00 O ATOM 1159 CB LYS A 77 0.760 5.758 2.676 1.00 0.00 C ATOM 1160 CG LYS A 77 2.233 5.574 3.046 1.00 0.00 C ATOM 1161 CD LYS A 77 3.147 6.071 1.924 1.00 0.00 C ATOM 1162 CE LYS A 77 4.552 6.368 2.451 1.00 0.00 C ATOM 1163 NZ LYS A 77 5.026 7.678 1.953 1.00 0.00 N ATOM 0 H LYS A 77 1.033 4.392 4.719 1.00 0.00 H new ATOM 0 HA LYS A 77 0.044 7.010 4.210 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.406 4.883 2.130 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.653 6.614 2.010 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.451 6.118 3.965 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.433 4.521 3.243 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.202 5.320 1.136 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.724 6.971 1.478 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.546 6.367 3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.239 5.582 2.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.981 7.864 2.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.051 7.666 0.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.380 8.426 2.275 1.00 0.00 H new ATOM 1177 N SER A 78 -2.206 6.780 3.089 1.00 0.00 N ATOM 1178 CA SER A 78 -3.628 6.728 2.796 1.00 0.00 C ATOM 1179 C SER A 78 -3.854 6.781 1.284 1.00 0.00 C ATOM 1180 O SER A 78 -3.808 5.753 0.610 1.00 0.00 O ATOM 1181 CB SER A 78 -4.374 7.874 3.484 1.00 0.00 C ATOM 1182 OG SER A 78 -4.896 7.486 4.752 1.00 0.00 O ATOM 0 H SER A 78 -1.742 7.642 2.801 1.00 0.00 H new ATOM 0 HA SER A 78 -4.022 5.788 3.183 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.699 8.720 3.613 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.189 8.212 2.844 1.00 0.00 H new ATOM 0 HG SER A 78 -4.924 8.265 5.346 1.00 0.00 H new ATOM 1188 N CYS A 79 -4.094 7.988 0.795 1.00 0.00 N ATOM 1189 CA CYS A 79 -4.327 8.188 -0.625 1.00 0.00 C ATOM 1190 C CYS A 79 -3.909 9.615 -0.985 1.00 0.00 C ATOM 1191 O CYS A 79 -3.198 9.829 -1.965 1.00 0.00 O ATOM 1192 CB CYS A 79 -5.782 7.906 -1.005 1.00 0.00 C ATOM 1193 SG CYS A 79 -6.347 6.199 -0.666 1.00 0.00 S ATOM 0 H CYS A 79 -4.132 8.838 1.357 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.727 7.480 -1.197 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.425 8.601 -0.464 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -5.912 8.112 -2.067 1.00 0.00 H new ATOM 1198 N VAL A 80 -4.369 10.555 -0.172 1.00 0.00 N ATOM 1199 CA VAL A 80 -4.052 11.956 -0.392 1.00 0.00 C ATOM 1200 C VAL A 80 -2.589 12.207 -0.022 1.00 0.00 C ATOM 1201 O VAL A 80 -1.920 13.031 -0.644 1.00 0.00 O ATOM 1202 CB VAL A 80 -5.027 12.842 0.387 1.00 0.00 C ATOM 1203 CG1 VAL A 80 -4.549 14.295 0.409 1.00 0.00 C ATOM 1204 CG2 VAL A 80 -6.441 12.738 -0.188 1.00 0.00 C ATOM 0 H VAL A 80 -4.959 10.374 0.640 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.170 12.214 -1.444 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.057 12.484 1.416 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.260 14.903 0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.570 14.349 0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.476 14.670 -0.612 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.114 13.377 0.384 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.434 13.058 -1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.783 11.705 -0.128 1.00 0.00 H new ATOM 1214 N GLY A 81 -2.135 11.483 0.991 1.00 0.00 N ATOM 1215 CA GLY A 81 -0.764 11.617 1.451 1.00 0.00 C ATOM 1216 C GLY A 81 0.223 11.424 0.298 1.00 0.00 C ATOM 1217 O GLY A 81 0.886 12.371 -0.122 1.00 0.00 O ATOM 0 H GLY A 81 -2.693 10.802 1.506 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.621 12.602 1.896 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.565 10.882 2.231 1.00 0.00 H new ATOM 1221 N CYS A 82 0.289 10.191 -0.182 1.00 0.00 N ATOM 1222 CA CYS A 82 1.184 9.861 -1.279 1.00 0.00 C ATOM 1223 C CYS A 82 1.054 10.948 -2.347 1.00 0.00 C ATOM 1224 O CYS A 82 2.052 11.462 -2.848 1.00 0.00 O ATOM 1225 CB CYS A 82 0.897 8.468 -1.844 1.00 0.00 C ATOM 1226 SG CYS A 82 2.359 7.850 -2.755 1.00 0.00 S ATOM 0 H CYS A 82 -0.263 9.408 0.168 1.00 0.00 H new ATOM 0 HA CYS A 82 2.212 9.829 -0.917 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.646 7.783 -1.034 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.034 8.507 -2.508 1.00 0.00 H new ATOM 1231 N HIS A 83 -0.198 11.273 -2.672 1.00 0.00 N ATOM 1232 CA HIS A 83 -0.519 12.287 -3.670 1.00 0.00 C ATOM 1233 C HIS A 83 0.104 13.635 -3.262 1.00 0.00 C ATOM 1234 O HIS A 83 0.519 14.410 -4.122 1.00 0.00 O ATOM 1235 CB HIS A 83 -2.042 12.329 -3.864 1.00 0.00 C ATOM 1236 CG HIS A 83 -2.650 11.230 -4.706 1.00 0.00 C ATOM 1237 ND1 HIS A 83 -3.735 11.421 -5.462 1.00 0.00 N ATOM 1238 CD2 HIS A 83 -2.284 9.918 -4.885 1.00 0.00 C ATOM 1239 CE1 HIS A 83 -4.035 10.271 -6.088 1.00 0.00 C ATOM 1240 NE2 HIS A 83 -3.170 9.311 -5.767 1.00 0.00 N ATOM 0 H HIS A 83 -1.018 10.838 -2.248 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.086 12.042 -4.640 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.511 12.303 -2.880 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.301 13.287 -4.316 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -4.251 12.297 -5.549 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.441 9.435 -4.414 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.868 10.142 -6.763 1.00 0.00 H new ATOM 1248 N VAL A 84 0.149 13.867 -1.958 1.00 0.00 N ATOM 1249 CA VAL A 84 0.713 15.100 -1.437 1.00 0.00 C ATOM 1250 C VAL A 84 2.230 15.086 -1.636 1.00 0.00 C ATOM 1251 O VAL A 84 2.826 16.110 -1.967 1.00 0.00 O ATOM 1252 CB VAL A 84 0.304 15.285 0.026 1.00 0.00 C ATOM 1253 CG1 VAL A 84 0.967 16.526 0.628 1.00 0.00 C ATOM 1254 CG2 VAL A 84 -1.218 15.355 0.164 1.00 0.00 C ATOM 0 H VAL A 84 -0.196 13.222 -1.247 1.00 0.00 H new ATOM 0 HA VAL A 84 0.321 15.959 -1.982 1.00 0.00 H new ATOM 0 HB VAL A 84 0.652 14.416 0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.660 16.634 1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.051 16.419 0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.664 17.409 0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.483 15.487 1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.597 16.197 -0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.660 14.431 -0.208 1.00 0.00 H new ATOM 1264 N GLU A 85 2.812 13.914 -1.425 1.00 0.00 N ATOM 1265 CA GLU A 85 4.248 13.754 -1.578 1.00 0.00 C ATOM 1266 C GLU A 85 4.618 13.661 -3.059 1.00 0.00 C ATOM 1267 O GLU A 85 5.796 13.674 -3.411 1.00 0.00 O ATOM 1268 CB GLU A 85 4.747 12.528 -0.810 1.00 0.00 C ATOM 1269 CG GLU A 85 5.573 12.942 0.408 1.00 0.00 C ATOM 1270 CD GLU A 85 6.724 13.866 0.002 1.00 0.00 C ATOM 1271 OE1 GLU A 85 6.863 14.096 -1.218 1.00 0.00 O ATOM 1272 OE2 GLU A 85 7.438 14.320 0.922 1.00 0.00 O ATOM 0 H GLU A 85 2.315 13.067 -1.150 1.00 0.00 H new ATOM 0 HA GLU A 85 4.739 14.631 -1.156 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.897 11.925 -0.490 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.351 11.903 -1.468 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.933 13.448 1.131 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.971 12.055 0.901 1.00 0.00 H new ATOM 1279 N VAL A 86 3.588 13.570 -3.889 1.00 0.00 N ATOM 1280 CA VAL A 86 3.790 13.475 -5.325 1.00 0.00 C ATOM 1281 C VAL A 86 3.396 14.801 -5.979 1.00 0.00 C ATOM 1282 O VAL A 86 4.208 15.427 -6.659 1.00 0.00 O ATOM 1283 CB VAL A 86 3.017 12.279 -5.884 1.00 0.00 C ATOM 1284 CG1 VAL A 86 3.122 12.224 -7.409 1.00 0.00 C ATOM 1285 CG2 VAL A 86 3.499 10.972 -5.253 1.00 0.00 C ATOM 0 H VAL A 86 2.612 13.560 -3.594 1.00 0.00 H new ATOM 0 HA VAL A 86 4.841 13.300 -5.553 1.00 0.00 H new ATOM 0 HB VAL A 86 1.966 12.408 -5.625 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.564 11.365 -7.781 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.708 13.138 -7.835 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.169 12.130 -7.698 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.933 10.138 -5.668 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.559 10.834 -5.467 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.349 11.012 -4.174 1.00 0.00 H new ATOM 1295 N ALA A 87 2.150 15.190 -5.751 1.00 0.00 N ATOM 1296 CA ALA A 87 1.639 16.429 -6.310 1.00 0.00 C ATOM 1297 C ALA A 87 2.154 17.608 -5.481 1.00 0.00 C ATOM 1298 O ALA A 87 1.366 18.407 -4.976 1.00 0.00 O ATOM 1299 CB ALA A 87 0.111 16.375 -6.359 1.00 0.00 C ATOM 0 H ALA A 87 1.480 14.668 -5.186 1.00 0.00 H new ATOM 0 HA ALA A 87 1.994 16.564 -7.332 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.273 17.305 -6.779 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.204 15.538 -6.983 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.281 16.243 -5.350 1.00 0.00 H new ATOM 1305 N GLY A 88 3.472 17.679 -5.367 1.00 0.00 N ATOM 1306 CA GLY A 88 4.101 18.747 -4.608 1.00 0.00 C ATOM 1307 C GLY A 88 5.194 19.432 -5.430 1.00 0.00 C ATOM 1308 O GLY A 88 6.118 20.022 -4.871 1.00 0.00 O ATOM 0 H GLY A 88 4.122 17.015 -5.787 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.350 19.480 -4.313 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.530 18.343 -3.691 1.00 0.00 H new ATOM 1312 N ALA A 89 5.054 19.332 -6.743 1.00 0.00 N ATOM 1313 CA ALA A 89 6.019 19.935 -7.647 1.00 0.00 C ATOM 1314 C ALA A 89 5.344 21.065 -8.427 1.00 0.00 C ATOM 1315 O ALA A 89 5.996 22.034 -8.812 1.00 0.00 O ATOM 1316 CB ALA A 89 6.599 18.858 -8.566 1.00 0.00 C ATOM 0 H ALA A 89 4.287 18.842 -7.203 1.00 0.00 H new ATOM 0 HA ALA A 89 6.848 20.369 -7.089 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.323 19.310 -9.244 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.092 18.094 -7.965 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.795 18.402 -9.144 1.00 0.00 H new ATOM 1322 N ASP A 90 4.046 20.903 -8.636 1.00 0.00 N ATOM 1323 CA ASP A 90 3.275 21.898 -9.362 1.00 0.00 C ATOM 1324 C ASP A 90 2.058 22.303 -8.528 1.00 0.00 C ATOM 1325 O ASP A 90 1.508 21.488 -7.789 1.00 0.00 O ATOM 1326 CB ASP A 90 2.770 21.340 -10.694 1.00 0.00 C ATOM 1327 CG ASP A 90 2.411 22.394 -11.743 1.00 0.00 C ATOM 1328 OD1 ASP A 90 2.585 23.591 -11.427 1.00 0.00 O ATOM 1329 OD2 ASP A 90 1.972 21.979 -12.837 1.00 0.00 O ATOM 0 H ASP A 90 3.509 20.098 -8.315 1.00 0.00 H new ATOM 0 HA ASP A 90 3.923 22.753 -9.552 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.534 20.683 -11.108 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.890 20.725 -10.503 1.00 0.00 H new ATOM 1334 N ALA A 91 1.673 23.562 -8.674 1.00 0.00 N ATOM 1335 CA ALA A 91 0.531 24.085 -7.943 1.00 0.00 C ATOM 1336 C ALA A 91 -0.720 23.983 -8.819 1.00 0.00 C ATOM 1337 O ALA A 91 -1.661 24.757 -8.655 1.00 0.00 O ATOM 1338 CB ALA A 91 0.820 25.522 -7.505 1.00 0.00 C ATOM 0 H ALA A 91 2.131 24.236 -9.288 1.00 0.00 H new ATOM 0 HA ALA A 91 0.351 23.499 -7.042 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.036 25.914 -6.957 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.700 25.536 -6.862 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.003 26.140 -8.384 1.00 0.00 H new ATOM 1344 N ALA A 92 -0.689 23.021 -9.729 1.00 0.00 N ATOM 1345 CA ALA A 92 -1.808 22.808 -10.631 1.00 0.00 C ATOM 1346 C ALA A 92 -2.464 21.463 -10.312 1.00 0.00 C ATOM 1347 O ALA A 92 -3.611 21.417 -9.869 1.00 0.00 O ATOM 1348 CB ALA A 92 -1.321 22.890 -12.079 1.00 0.00 C ATOM 0 H ALA A 92 0.093 22.380 -9.861 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.562 23.584 -10.497 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.161 22.730 -12.755 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -0.890 23.874 -12.263 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.565 22.124 -12.252 1.00 0.00 H new ATOM 1354 N LYS A 93 -1.709 20.400 -10.551 1.00 0.00 N ATOM 1355 CA LYS A 93 -2.203 19.058 -10.295 1.00 0.00 C ATOM 1356 C LYS A 93 -2.610 18.941 -8.825 1.00 0.00 C ATOM 1357 O LYS A 93 -3.438 18.103 -8.471 1.00 0.00 O ATOM 1358 CB LYS A 93 -1.173 18.015 -10.733 1.00 0.00 C ATOM 1359 CG LYS A 93 -1.857 16.787 -11.336 1.00 0.00 C ATOM 1360 CD LYS A 93 -0.844 15.675 -11.612 1.00 0.00 C ATOM 1361 CE LYS A 93 0.552 16.072 -11.127 1.00 0.00 C ATOM 1362 NZ LYS A 93 1.551 15.061 -11.540 1.00 0.00 N ATOM 0 H LYS A 93 -0.759 20.441 -10.919 1.00 0.00 H new ATOM 0 HA LYS A 93 -3.095 18.860 -10.890 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.495 18.454 -11.465 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.568 17.715 -9.877 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.625 16.423 -10.654 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.359 17.065 -12.263 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.159 14.759 -11.113 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.815 15.462 -12.681 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.822 17.046 -11.535 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.552 16.170 -10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.493 15.346 -11.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.301 14.138 -11.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.562 14.988 -12.577 1.00 0.00 H new ATOM 1376 N LYS A 94 -2.009 19.793 -8.008 1.00 0.00 N ATOM 1377 CA LYS A 94 -2.298 19.796 -6.584 1.00 0.00 C ATOM 1378 C LYS A 94 -3.803 19.980 -6.374 1.00 0.00 C ATOM 1379 O LYS A 94 -4.324 19.685 -5.299 1.00 0.00 O ATOM 1380 CB LYS A 94 -1.445 20.843 -5.865 1.00 0.00 C ATOM 1381 CG LYS A 94 -2.208 22.160 -5.710 1.00 0.00 C ATOM 1382 CD LYS A 94 -3.110 22.128 -4.475 1.00 0.00 C ATOM 1383 CE LYS A 94 -3.179 23.505 -3.811 1.00 0.00 C ATOM 1384 NZ LYS A 94 -3.948 23.434 -2.549 1.00 0.00 N ATOM 0 H LYS A 94 -1.323 20.487 -8.305 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.027 18.838 -6.139 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.155 20.469 -4.883 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.526 21.015 -6.425 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.502 22.986 -5.628 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.810 22.343 -6.600 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.112 21.807 -4.760 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.731 21.395 -3.762 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.171 23.869 -3.610 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.647 24.219 -4.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.985 24.377 -2.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.915 23.107 -2.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.486 22.768 -1.898 1.00 0.00 H new ATOM 1398 N LYS A 95 -4.458 20.465 -7.418 1.00 0.00 N ATOM 1399 CA LYS A 95 -5.892 20.692 -7.361 1.00 0.00 C ATOM 1400 C LYS A 95 -6.612 19.576 -8.121 1.00 0.00 C ATOM 1401 O LYS A 95 -7.784 19.711 -8.466 1.00 0.00 O ATOM 1402 CB LYS A 95 -6.233 22.096 -7.864 1.00 0.00 C ATOM 1403 CG LYS A 95 -7.151 22.824 -6.880 1.00 0.00 C ATOM 1404 CD LYS A 95 -7.758 24.075 -7.518 1.00 0.00 C ATOM 1405 CE LYS A 95 -8.509 24.911 -6.480 1.00 0.00 C ATOM 1406 NZ LYS A 95 -9.549 24.096 -5.812 1.00 0.00 N ATOM 0 H LYS A 95 -4.023 20.707 -8.308 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.242 20.654 -6.329 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -5.316 22.669 -8.003 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.718 22.029 -8.838 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.947 22.154 -6.556 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -6.587 23.103 -5.990 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -6.969 24.675 -7.972 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -8.439 23.785 -8.318 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -7.809 25.296 -5.739 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -8.969 25.773 -6.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -10.199 24.720 -5.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -10.081 23.559 -6.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -9.098 23.435 -5.147 1.00 0.00 H new ATOM 1420 N ASP A 96 -5.878 18.498 -8.359 1.00 0.00 N ATOM 1421 CA ASP A 96 -6.431 17.359 -9.071 1.00 0.00 C ATOM 1422 C ASP A 96 -6.165 16.083 -8.269 1.00 0.00 C ATOM 1423 O ASP A 96 -7.028 15.211 -8.179 1.00 0.00 O ATOM 1424 CB ASP A 96 -5.779 17.199 -10.445 1.00 0.00 C ATOM 1425 CG ASP A 96 -5.932 18.401 -11.378 1.00 0.00 C ATOM 1426 OD1 ASP A 96 -6.821 19.232 -11.091 1.00 0.00 O ATOM 1427 OD2 ASP A 96 -5.158 18.462 -12.358 1.00 0.00 O ATOM 0 H ASP A 96 -4.905 18.390 -8.071 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.501 17.527 -9.197 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.717 17.000 -10.305 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.206 16.323 -10.933 1.00 0.00 H new ATOM 1432 N LEU A 97 -4.967 16.015 -7.708 1.00 0.00 N ATOM 1433 CA LEU A 97 -4.576 14.860 -6.917 1.00 0.00 C ATOM 1434 C LEU A 97 -5.081 15.035 -5.484 1.00 0.00 C ATOM 1435 O LEU A 97 -5.694 14.127 -4.923 1.00 0.00 O ATOM 1436 CB LEU A 97 -3.066 14.631 -7.014 1.00 0.00 C ATOM 1437 CG LEU A 97 -2.470 14.673 -8.422 1.00 0.00 C ATOM 1438 CD1 LEU A 97 -0.984 14.309 -8.399 1.00 0.00 C ATOM 1439 CD2 LEU A 97 -3.263 13.782 -9.380 1.00 0.00 C ATOM 0 H LEU A 97 -4.254 16.740 -7.785 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.038 13.954 -7.310 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.565 15.384 -6.406 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.837 13.661 -6.573 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.546 15.694 -8.795 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.585 14.346 -9.412 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.445 15.018 -7.770 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.862 13.303 -7.998 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.818 13.830 -10.374 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.241 12.753 -9.022 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.296 14.127 -9.428 1.00 0.00 H new ATOM 1451 N THR A 98 -4.806 16.208 -4.932 1.00 0.00 N ATOM 1452 CA THR A 98 -5.225 16.513 -3.574 1.00 0.00 C ATOM 1453 C THR A 98 -6.444 17.436 -3.588 1.00 0.00 C ATOM 1454 O THR A 98 -6.963 17.801 -2.533 1.00 0.00 O ATOM 1455 CB THR A 98 -4.025 17.102 -2.830 1.00 0.00 C ATOM 1456 OG1 THR A 98 -3.812 18.363 -3.458 1.00 0.00 O ATOM 1457 CG2 THR A 98 -2.732 16.329 -3.100 1.00 0.00 C ATOM 0 H THR A 98 -4.298 16.958 -5.400 1.00 0.00 H new ATOM 0 HA THR A 98 -5.543 15.614 -3.046 1.00 0.00 H new ATOM 0 HB THR A 98 -4.229 17.107 -1.759 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.263 18.376 -4.328 1.00 0.00 H new ATOM 0 HG21 THR A 98 -1.912 16.788 -2.548 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.852 15.295 -2.777 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.510 16.353 -4.167 1.00 0.00 H new ATOM 1465 N GLY A 99 -6.867 17.788 -4.793 1.00 0.00 N ATOM 1466 CA GLY A 99 -8.016 18.662 -4.957 1.00 0.00 C ATOM 1467 C GLY A 99 -9.270 18.042 -4.338 1.00 0.00 C ATOM 1468 O GLY A 99 -9.407 16.820 -4.296 1.00 0.00 O ATOM 0 H GLY A 99 -6.435 17.484 -5.665 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.814 19.626 -4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.185 18.851 -6.017 1.00 0.00 H new ATOM 1472 N CYS A 100 -10.153 18.912 -3.871 1.00 0.00 N ATOM 1473 CA CYS A 100 -11.391 18.465 -3.256 1.00 0.00 C ATOM 1474 C CYS A 100 -12.461 18.366 -4.345 1.00 0.00 C ATOM 1475 O CYS A 100 -13.232 17.408 -4.378 1.00 0.00 O ATOM 1476 CB CYS A 100 -11.822 19.390 -2.115 1.00 0.00 C ATOM 1477 SG CYS A 100 -10.906 19.154 -0.549 1.00 0.00 S ATOM 0 H CYS A 100 -10.036 19.925 -3.906 1.00 0.00 H new ATOM 0 HA CYS A 100 -11.242 17.484 -2.805 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -11.701 20.424 -2.438 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -12.884 19.238 -1.925 1.00 0.00 H new ATOM 1482 N LYS A 101 -12.474 19.370 -5.210 1.00 0.00 N ATOM 1483 CA LYS A 101 -13.437 19.408 -6.298 1.00 0.00 C ATOM 1484 C LYS A 101 -12.693 19.359 -7.634 1.00 0.00 C ATOM 1485 O LYS A 101 -11.697 20.057 -7.819 1.00 0.00 O ATOM 1486 CB LYS A 101 -14.362 20.618 -6.153 1.00 0.00 C ATOM 1487 CG LYS A 101 -14.981 20.999 -7.499 1.00 0.00 C ATOM 1488 CD LYS A 101 -15.642 19.789 -8.161 1.00 0.00 C ATOM 1489 CE LYS A 101 -17.136 20.033 -8.381 1.00 0.00 C ATOM 1490 NZ LYS A 101 -17.367 21.396 -8.909 1.00 0.00 N ATOM 0 H LYS A 101 -11.833 20.163 -5.180 1.00 0.00 H new ATOM 0 HA LYS A 101 -14.087 18.533 -6.262 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.152 20.393 -5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -13.801 21.463 -5.754 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -15.720 21.787 -7.353 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -14.211 21.402 -8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -15.159 19.583 -9.116 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -15.502 18.907 -7.537 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -17.532 19.295 -9.078 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -17.674 19.905 -7.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -18.177 21.383 -9.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -17.567 22.044 -8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -16.519 21.720 -9.417 1.00 0.00 H new ATOM 1504 N LYS A 102 -13.204 18.528 -8.530 1.00 0.00 N ATOM 1505 CA LYS A 102 -12.601 18.379 -9.843 1.00 0.00 C ATOM 1506 C LYS A 102 -11.459 17.363 -9.762 1.00 0.00 C ATOM 1507 O LYS A 102 -10.873 17.000 -10.781 1.00 0.00 O ATOM 1508 CB LYS A 102 -12.174 19.741 -10.394 1.00 0.00 C ATOM 1509 CG LYS A 102 -12.524 19.866 -11.878 1.00 0.00 C ATOM 1510 CD LYS A 102 -14.002 20.215 -12.066 1.00 0.00 C ATOM 1511 CE LYS A 102 -14.200 21.128 -13.277 1.00 0.00 C ATOM 1512 NZ LYS A 102 -14.474 20.326 -14.491 1.00 0.00 N ATOM 0 H LYS A 102 -14.030 17.950 -8.372 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.328 17.987 -10.554 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -12.666 20.535 -9.832 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.101 19.872 -10.257 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -11.904 20.635 -12.338 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -12.300 18.929 -12.388 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -14.581 19.301 -12.197 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -14.380 20.707 -11.170 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -15.027 21.813 -13.092 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.309 21.738 -13.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.606 20.961 -15.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.672 19.690 -14.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -15.337 19.763 -14.348 1.00 0.00 H new ATOM 1526 N SER A 103 -11.177 16.933 -8.541 1.00 0.00 N ATOM 1527 CA SER A 103 -10.116 15.967 -8.315 1.00 0.00 C ATOM 1528 C SER A 103 -10.526 14.600 -8.867 1.00 0.00 C ATOM 1529 O SER A 103 -11.713 14.279 -8.920 1.00 0.00 O ATOM 1530 CB SER A 103 -9.778 15.859 -6.826 1.00 0.00 C ATOM 1531 OG SER A 103 -8.913 14.760 -6.554 1.00 0.00 O ATOM 0 H SER A 103 -11.665 17.236 -7.698 1.00 0.00 H new ATOM 0 HA SER A 103 -9.224 16.310 -8.839 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.306 16.783 -6.493 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.698 15.747 -6.252 1.00 0.00 H new ATOM 0 HG SER A 103 -8.147 14.788 -7.165 1.00 0.00 H new ATOM 1537 N LYS A 104 -9.522 13.832 -9.263 1.00 0.00 N ATOM 1538 CA LYS A 104 -9.764 12.507 -9.809 1.00 0.00 C ATOM 1539 C LYS A 104 -10.556 11.679 -8.795 1.00 0.00 C ATOM 1540 O LYS A 104 -11.495 10.974 -9.162 1.00 0.00 O ATOM 1541 CB LYS A 104 -8.448 11.857 -10.240 1.00 0.00 C ATOM 1542 CG LYS A 104 -8.209 12.045 -11.740 1.00 0.00 C ATOM 1543 CD LYS A 104 -7.671 13.445 -12.039 1.00 0.00 C ATOM 1544 CE LYS A 104 -6.321 13.373 -12.755 1.00 0.00 C ATOM 1545 NZ LYS A 104 -6.515 13.133 -14.203 1.00 0.00 N ATOM 0 H LYS A 104 -8.539 14.102 -9.217 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.371 12.572 -10.712 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.622 12.294 -9.679 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.468 10.794 -10.002 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -7.501 11.296 -12.096 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.141 11.886 -12.283 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.386 13.989 -12.657 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.564 14.003 -11.109 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.773 14.303 -12.605 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.717 12.574 -12.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.589 13.087 -14.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.019 12.234 -14.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -7.073 13.909 -14.612 1.00 0.00 H new ATOM 1559 N CYS A 105 -10.148 11.792 -7.540 1.00 0.00 N ATOM 1560 CA CYS A 105 -10.808 11.062 -6.470 1.00 0.00 C ATOM 1561 C CYS A 105 -12.250 11.561 -6.367 1.00 0.00 C ATOM 1562 O CYS A 105 -13.194 10.776 -6.418 1.00 0.00 O ATOM 1563 CB CYS A 105 -10.059 11.204 -5.143 1.00 0.00 C ATOM 1564 SG CYS A 105 -8.342 10.595 -5.326 1.00 0.00 S ATOM 0 H CYS A 105 -9.369 12.378 -7.240 1.00 0.00 H new ATOM 0 HA CYS A 105 -10.809 9.996 -6.700 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -10.052 12.248 -4.830 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -10.572 10.641 -4.364 1.00 0.00 H new ATOM 1569 N HIS A 106 -12.381 12.880 -6.222 1.00 0.00 N ATOM 1570 CA HIS A 106 -13.678 13.539 -6.106 1.00 0.00 C ATOM 1571 C HIS A 106 -13.932 14.409 -7.351 1.00 0.00 C ATOM 1572 O HIS A 106 -13.963 15.634 -7.254 1.00 0.00 O ATOM 1573 CB HIS A 106 -13.728 14.308 -4.778 1.00 0.00 C ATOM 1574 CG HIS A 106 -13.583 13.491 -3.514 1.00 0.00 C ATOM 1575 ND1 HIS A 106 -14.460 12.546 -3.164 1.00 0.00 N ATOM 1576 CD2 HIS A 106 -12.628 13.513 -2.526 1.00 0.00 C ATOM 1577 CE1 HIS A 106 -14.067 11.999 -2.003 1.00 0.00 C ATOM 1578 NE2 HIS A 106 -12.941 12.559 -1.564 1.00 0.00 N ATOM 0 H HIS A 106 -11.588 13.521 -6.182 1.00 0.00 H new ATOM 0 HA HIS A 106 -14.493 12.815 -6.079 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -12.938 15.059 -4.790 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -14.676 14.843 -4.730 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -15.292 12.283 -3.692 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -11.770 14.168 -2.501 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.595 11.208 -1.491 1.00 0.00 H new ATOM 1586 N GLU A 107 -14.107 13.741 -8.483 1.00 0.00 N ATOM 1587 CA GLU A 107 -14.357 14.439 -9.732 1.00 0.00 C ATOM 1588 C GLU A 107 -15.860 14.503 -10.013 1.00 0.00 C ATOM 1589 O GLU A 107 -16.365 13.787 -10.876 1.00 0.00 O ATOM 1590 CB GLU A 107 -13.611 13.775 -10.890 1.00 0.00 C ATOM 1591 CG GLU A 107 -12.853 14.812 -11.722 1.00 0.00 C ATOM 1592 CD GLU A 107 -13.618 15.152 -13.002 1.00 0.00 C ATOM 1593 OE1 GLU A 107 -14.865 15.176 -12.929 1.00 0.00 O ATOM 1594 OE2 GLU A 107 -12.937 15.382 -14.026 1.00 0.00 O ATOM 0 H GLU A 107 -14.080 12.724 -8.560 1.00 0.00 H new ATOM 0 HA GLU A 107 -13.981 15.458 -9.637 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -12.912 13.035 -10.500 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -14.319 13.241 -11.525 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -12.702 15.717 -11.133 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.865 14.428 -11.976 1.00 0.00 H new TER 1601 GLU A 107 HETATM 1602 FE HEC A 108 -5.157 -4.059 -3.870 1.00 0.00 FE HETATM 1603 CHA HEC A 108 -8.639 -4.579 -3.530 1.00 0.00 C HETATM 1604 CHB HEC A 108 -4.756 -7.375 -4.440 1.00 0.00 C HETATM 1605 CHC HEC A 108 -1.882 -3.446 -4.271 1.00 0.00 C HETATM 1606 CHD HEC A 108 -5.763 -0.668 -3.143 1.00 0.00 C HETATM 1607 NA HEC A 108 -6.455 -5.628 -3.999 1.00 0.00 N HETATM 1608 C1A HEC A 108 -7.818 -5.678 -3.764 1.00 0.00 C HETATM 1609 C2A HEC A 108 -8.282 -7.045 -3.795 1.00 0.00 C HETATM 1610 C3A HEC A 108 -7.208 -7.823 -4.047 1.00 0.00 C HETATM 1611 C4A HEC A 108 -6.069 -6.945 -4.175 1.00 0.00 C HETATM 1612 CMA HEC A 108 -7.159 -9.318 -4.177 1.00 0.00 C HETATM 1613 CAA HEC A 108 -9.704 -7.475 -3.580 1.00 0.00 C HETATM 1614 CBA HEC A 108 -10.302 -8.249 -4.752 1.00 0.00 C HETATM 1615 CGA HEC A 108 -10.178 -9.751 -4.536 1.00 0.00 C HETATM 1616 O1A HEC A 108 -10.487 -10.189 -3.407 1.00 0.00 O HETATM 1617 O2A HEC A 108 -9.777 -10.432 -5.504 1.00 0.00 O HETATM 1618 NB HEC A 108 -3.661 -5.171 -4.275 1.00 0.00 N HETATM 1619 C1B HEC A 108 -3.643 -6.540 -4.473 1.00 0.00 C HETATM 1620 C2B HEC A 108 -2.295 -6.994 -4.722 1.00 0.00 C HETATM 1621 C3B HEC A 108 -1.496 -5.907 -4.676 1.00 0.00 C HETATM 1622 C4B HEC A 108 -2.342 -4.770 -4.398 1.00 0.00 C HETATM 1623 CMB HEC A 108 -1.903 -8.419 -4.979 1.00 0.00 C HETATM 1624 CAB HEC A 108 -0.009 -5.844 -4.870 1.00 0.00 C HETATM 1625 CBB HEC A 108 0.488 -6.598 -6.101 1.00 0.00 C HETATM 1626 NC HEC A 108 -4.085 -2.361 -3.814 1.00 0.00 N HETATM 1627 C1C HEC A 108 -2.712 -2.310 -3.986 1.00 0.00 C HETATM 1628 C2C HEC A 108 -2.221 -0.982 -3.703 1.00 0.00 C HETATM 1629 C3C HEC A 108 -3.288 -0.229 -3.361 1.00 0.00 C HETATM 1630 C4C HEC A 108 -4.450 -1.083 -3.429 1.00 0.00 C HETATM 1631 CMC HEC A 108 -0.782 -0.563 -3.786 1.00 0.00 C HETATM 1632 CAC HEC A 108 -3.309 1.222 -2.977 1.00 0.00 C HETATM 1633 CBC HEC A 108 -2.118 2.020 -3.498 1.00 0.00 C HETATM 1634 ND HEC A 108 -6.864 -2.853 -3.456 1.00 0.00 N HETATM 1635 C1D HEC A 108 -6.872 -1.508 -3.133 1.00 0.00 C HETATM 1636 C2D HEC A 108 -8.207 -1.086 -2.778 1.00 0.00 C HETATM 1637 C3D HEC A 108 -9.006 -2.168 -2.884 1.00 0.00 C HETATM 1638 C4D HEC A 108 -8.175 -3.271 -3.306 1.00 0.00 C HETATM 1639 CMD HEC A 108 -8.587 0.308 -2.372 1.00 0.00 C HETATM 1640 CAD HEC A 108 -10.482 -2.256 -2.624 1.00 0.00 C HETATM 1641 CBD HEC A 108 -10.877 -1.958 -1.181 1.00 0.00 C HETATM 1642 CGD HEC A 108 -11.944 -0.874 -1.117 1.00 0.00 C HETATM 1643 O1D HEC A 108 -11.717 0.102 -0.371 1.00 0.00 O HETATM 1644 O2D HEC A 108 -12.966 -1.043 -1.816 1.00 0.00 O HETATM 0 HMD3 HEC A 108 -8.029 0.592 -1.480 1.00 0.00 H new HETATM 0 HMD2 HEC A 108 -8.353 0.999 -3.182 1.00 0.00 H new HETATM 0 HMD1 HEC A 108 -9.655 0.347 -2.160 1.00 0.00 H new HETATM 0 HMC3 HEC A 108 -0.188 -1.162 -3.095 1.00 0.00 H new HETATM 0 HMC2 HEC A 108 -0.417 -0.713 -4.802 1.00 0.00 H new HETATM 0 HMC1 HEC A 108 -0.694 0.491 -3.521 1.00 0.00 H new HETATM 0 HMB3 HEC A 108 -2.180 -9.033 -4.122 1.00 0.00 H new HETATM 0 HMB2 HEC A 108 -2.418 -8.783 -5.868 1.00 0.00 H new HETATM 0 HMB1 HEC A 108 -0.826 -8.478 -5.135 1.00 0.00 H new HETATM 0 HMA3 HEC A 108 -7.499 -9.775 -3.248 1.00 0.00 H new HETATM 0 HMA2 HEC A 108 -7.806 -9.633 -4.995 1.00 0.00 H new HETATM 0 HMA1 HEC A 108 -6.136 -9.632 -4.382 1.00 0.00 H new HETATM 0 HBD2 HEC A 108 -11.249 -2.867 -0.707 1.00 0.00 H new HETATM 0 HBD1 HEC A 108 -9.999 -1.642 -0.618 1.00 0.00 H new HETATM 0 HBC3 HEC A 108 -1.195 1.596 -3.102 1.00 0.00 H new HETATM 0 HBC2 HEC A 108 -2.099 1.976 -4.587 1.00 0.00 H new HETATM 0 HBC1 HEC A 108 -2.208 3.058 -3.178 1.00 0.00 H new HETATM 0 HBB3 HEC A 108 0.219 -7.651 -6.016 1.00 0.00 H new HETATM 0 HBB2 HEC A 108 0.029 -6.177 -6.995 1.00 0.00 H new HETATM 0 HBB1 HEC A 108 1.572 -6.505 -6.172 1.00 0.00 H new HETATM 0 HBA2 HEC A 108 -11.352 -7.981 -4.871 1.00 0.00 H new HETATM 0 HBA1 HEC A 108 -9.794 -7.968 -5.675 1.00 0.00 H new HETATM 0 HAD2 HEC A 108 -10.999 -1.558 -3.283 1.00 0.00 H new HETATM 0 HAD1 HEC A 108 -10.827 -3.256 -2.885 1.00 0.00 H new HETATM 0 HAA2 HEC A 108 -9.754 -8.095 -2.685 1.00 0.00 H new HETATM 0 HAA1 HEC A 108 -10.315 -6.592 -3.391 1.00 0.00 H new HETATM 0 HHD HEC A 108 -5.923 0.385 -2.913 1.00 0.00 H new HETATM 0 HHC HEC A 108 -0.814 -3.270 -4.399 1.00 0.00 H new HETATM 0 HHB HEC A 108 -4.599 -8.436 -4.633 1.00 0.00 H new HETATM 0 HHA HEC A 108 -9.716 -4.744 -3.520 1.00 0.00 H new HETATM 0 H2D HEC A 108 -13.733 -0.615 -1.382 1.00 0.00 H new HETATM 0 H2A HEC A 108 -9.161 -11.124 -5.184 1.00 0.00 H new HETATM 1677 FE HEC A 109 -6.215 -0.005 8.281 1.00 0.00 FE HETATM 1678 CHA HEC A 109 -4.472 1.648 10.830 1.00 0.00 C HETATM 1679 CHB HEC A 109 -5.400 2.397 6.108 1.00 0.00 C HETATM 1680 CHC HEC A 109 -7.698 -1.891 5.865 1.00 0.00 C HETATM 1681 CHD HEC A 109 -7.071 -2.469 10.696 1.00 0.00 C HETATM 1682 NA HEC A 109 -5.128 1.643 8.452 1.00 0.00 N HETATM 1683 C1A HEC A 109 -4.538 2.219 9.564 1.00 0.00 C HETATM 1684 C2A HEC A 109 -3.992 3.513 9.227 1.00 0.00 C HETATM 1685 C3A HEC A 109 -4.248 3.723 7.919 1.00 0.00 C HETATM 1686 C4A HEC A 109 -4.955 2.562 7.432 1.00 0.00 C HETATM 1687 CMA HEC A 109 -3.886 4.920 7.087 1.00 0.00 C HETATM 1688 CAA HEC A 109 -3.280 4.421 10.188 1.00 0.00 C HETATM 1689 CBA HEC A 109 -4.154 5.538 10.749 1.00 0.00 C HETATM 1690 CGA HEC A 109 -3.436 6.290 11.861 1.00 0.00 C HETATM 1691 O1A HEC A 109 -2.627 5.637 12.556 1.00 0.00 O HETATM 1692 O2A HEC A 109 -3.708 7.502 11.994 1.00 0.00 O HETATM 1693 NB HEC A 109 -6.517 0.217 6.409 1.00 0.00 N HETATM 1694 C1B HEC A 109 -6.056 1.266 5.632 1.00 0.00 C HETATM 1695 C2B HEC A 109 -6.353 1.026 4.240 1.00 0.00 C HETATM 1696 C3B HEC A 109 -6.990 -0.162 4.169 1.00 0.00 C HETATM 1697 C4B HEC A 109 -7.094 -0.669 5.517 1.00 0.00 C HETATM 1698 CMB HEC A 109 -6.000 1.953 3.114 1.00 0.00 C HETATM 1699 CAB HEC A 109 -7.509 -0.861 2.946 1.00 0.00 C HETATM 1700 CBB HEC A 109 -6.450 -1.107 1.876 1.00 0.00 C HETATM 1701 NC HEC A 109 -7.230 -1.799 8.316 1.00 0.00 N HETATM 1702 C1C HEC A 109 -7.952 -2.295 7.245 1.00 0.00 C HETATM 1703 C2C HEC A 109 -8.750 -3.424 7.659 1.00 0.00 C HETATM 1704 C3C HEC A 109 -8.516 -3.615 8.974 1.00 0.00 C HETATM 1705 C4C HEC A 109 -7.570 -2.606 9.388 1.00 0.00 C HETATM 1706 CMC HEC A 109 -9.658 -4.210 6.758 1.00 0.00 C HETATM 1707 CAC HEC A 109 -9.103 -4.663 9.875 1.00 0.00 C HETATM 1708 CBC HEC A 109 -8.817 -6.095 9.430 1.00 0.00 C HETATM 1709 ND HEC A 109 -5.860 -0.347 10.352 1.00 0.00 N HETATM 1710 C1D HEC A 109 -6.279 -1.411 11.132 1.00 0.00 C HETATM 1711 C2D HEC A 109 -5.777 -1.275 12.478 1.00 0.00 C HETATM 1712 C3D HEC A 109 -5.056 -0.134 12.519 1.00 0.00 C HETATM 1713 C4D HEC A 109 -5.105 0.446 11.198 1.00 0.00 C HETATM 1714 CMD HEC A 109 -6.034 -2.245 13.594 1.00 0.00 C HETATM 1715 CAD HEC A 109 -4.326 0.456 13.690 1.00 0.00 C HETATM 1716 CBD HEC A 109 -2.812 0.516 13.511 1.00 0.00 C HETATM 1717 CGD HEC A 109 -2.255 1.849 13.993 1.00 0.00 C HETATM 1718 O1D HEC A 109 -2.582 2.867 13.345 1.00 0.00 O HETATM 1719 O2D HEC A 109 -1.514 1.824 14.999 1.00 0.00 O HETATM 0 HMD3 HEC A 109 -7.107 -2.317 13.774 1.00 0.00 H new HETATM 0 HMD2 HEC A 109 -5.645 -3.226 13.320 1.00 0.00 H new HETATM 0 HMD1 HEC A 109 -5.537 -1.898 14.500 1.00 0.00 H new HETATM 0 HMC3 HEC A 109 -10.420 -3.550 6.344 1.00 0.00 H new HETATM 0 HMC2 HEC A 109 -9.076 -4.646 5.946 1.00 0.00 H new HETATM 0 HMC1 HEC A 109 -10.137 -5.005 7.329 1.00 0.00 H new HETATM 0 HMB3 HEC A 109 -6.483 2.917 3.272 1.00 0.00 H new HETATM 0 HMB2 HEC A 109 -4.919 2.090 3.081 1.00 0.00 H new HETATM 0 HMB1 HEC A 109 -6.341 1.526 2.171 1.00 0.00 H new HETATM 0 HMA3 HEC A 109 -4.353 5.810 7.508 1.00 0.00 H new HETATM 0 HMA2 HEC A 109 -2.803 5.046 7.082 1.00 0.00 H new HETATM 0 HMA1 HEC A 109 -4.239 4.774 6.066 1.00 0.00 H new HETATM 0 HBD2 HEC A 109 -2.345 -0.298 14.065 1.00 0.00 H new HETATM 0 HBD1 HEC A 109 -2.561 0.372 12.460 1.00 0.00 H new HETATM 0 HBC3 HEC A 109 -9.232 -6.257 8.435 1.00 0.00 H new HETATM 0 HBC2 HEC A 109 -7.740 -6.260 9.404 1.00 0.00 H new HETATM 0 HBC1 HEC A 109 -9.274 -6.792 10.132 1.00 0.00 H new HETATM 0 HBB3 HEC A 109 -6.034 -0.154 1.549 1.00 0.00 H new HETATM 0 HBB2 HEC A 109 -5.654 -1.728 2.288 1.00 0.00 H new HETATM 0 HBB1 HEC A 109 -6.904 -1.616 1.025 1.00 0.00 H new HETATM 0 HBA2 HEC A 109 -4.421 6.231 9.951 1.00 0.00 H new HETATM 0 HBA1 HEC A 109 -5.085 5.119 11.131 1.00 0.00 H new HETATM 0 HAD2 HEC A 109 -4.701 1.464 13.868 1.00 0.00 H new HETATM 0 HAD1 HEC A 109 -4.553 -0.131 14.580 1.00 0.00 H new HETATM 0 HAA2 HEC A 109 -2.893 3.826 11.015 1.00 0.00 H new HETATM 0 HAA1 HEC A 109 -2.421 4.864 9.685 1.00 0.00 H new HETATM 0 HHD HEC A 109 -7.322 -3.246 11.418 1.00 0.00 H new HETATM 0 HHC HEC A 109 -7.991 -2.570 5.064 1.00 0.00 H new HETATM 0 HHB HEC A 109 -5.218 3.211 5.406 1.00 0.00 H new HETATM 0 HHA HEC A 109 -3.889 2.168 11.591 1.00 0.00 H new HETATM 0 H2D HEC A 109 -1.032 2.674 15.071 1.00 0.00 H new HETATM 0 H2A HEC A 109 -4.661 7.645 11.817 1.00 0.00 H new HETATM 1752 FE HEC A 110 -3.061 7.444 -6.292 1.00 0.00 FE HETATM 1753 CHA HEC A 110 -2.882 8.594 -9.639 1.00 0.00 C HETATM 1754 CHB HEC A 110 -6.570 7.583 -6.622 1.00 0.00 C HETATM 1755 CHC HEC A 110 -3.422 6.096 -3.216 1.00 0.00 C HETATM 1756 CHD HEC A 110 0.302 7.429 -6.143 1.00 0.00 C HETATM 1757 NA HEC A 110 -4.444 7.966 -7.836 1.00 0.00 N HETATM 1758 C1A HEC A 110 -4.157 8.438 -9.105 1.00 0.00 C HETATM 1759 C2A HEC A 110 -5.377 8.751 -9.811 1.00 0.00 C HETATM 1760 C3A HEC A 110 -6.401 8.472 -8.978 1.00 0.00 C HETATM 1761 C4A HEC A 110 -5.826 7.983 -7.747 1.00 0.00 C HETATM 1762 CMA HEC A 110 -7.872 8.625 -9.237 1.00 0.00 C HETATM 1763 CAA HEC A 110 -5.445 9.286 -11.212 1.00 0.00 C HETATM 1764 CBA HEC A 110 -5.667 8.214 -12.276 1.00 0.00 C HETATM 1765 CGA HEC A 110 -4.793 8.465 -13.496 1.00 0.00 C HETATM 1766 O1A HEC A 110 -3.874 7.645 -13.714 1.00 0.00 O HETATM 1767 O2A HEC A 110 -5.059 9.470 -14.189 1.00 0.00 O HETATM 1768 NB HEC A 110 -4.678 7.005 -5.148 1.00 0.00 N HETATM 1769 C1B HEC A 110 -6.023 7.018 -5.475 1.00 0.00 C HETATM 1770 C2B HEC A 110 -6.794 6.357 -4.449 1.00 0.00 C HETATM 1771 C3B HEC A 110 -5.924 5.944 -3.503 1.00 0.00 C HETATM 1772 C4B HEC A 110 -4.606 6.345 -3.934 1.00 0.00 C HETATM 1773 CMB HEC A 110 -8.285 6.185 -4.471 1.00 0.00 C HETATM 1774 CAB HEC A 110 -6.224 5.205 -2.231 1.00 0.00 C HETATM 1775 CBB HEC A 110 -7.295 4.127 -2.376 1.00 0.00 C HETATM 1776 NC HEC A 110 -1.821 6.982 -4.948 1.00 0.00 N HETATM 1777 C1C HEC A 110 -2.106 6.490 -3.686 1.00 0.00 C HETATM 1778 C2C HEC A 110 -0.884 6.200 -2.974 1.00 0.00 C HETATM 1779 C3C HEC A 110 0.139 6.513 -3.797 1.00 0.00 C HETATM 1780 C4C HEC A 110 -0.440 6.999 -5.027 1.00 0.00 C HETATM 1781 CMC HEC A 110 -0.813 5.654 -1.578 1.00 0.00 C HETATM 1782 CAC HEC A 110 1.611 6.394 -3.528 1.00 0.00 C HETATM 1783 CBC HEC A 110 1.981 5.244 -2.596 1.00 0.00 C HETATM 1784 ND HEC A 110 -1.608 7.913 -7.627 1.00 0.00 N HETATM 1785 C1D HEC A 110 -0.254 7.840 -7.349 1.00 0.00 C HETATM 1786 C2D HEC A 110 0.515 8.256 -8.498 1.00 0.00 C HETATM 1787 C3D HEC A 110 -0.364 8.579 -9.469 1.00 0.00 C HETATM 1788 C4D HEC A 110 -1.688 8.368 -8.931 1.00 0.00 C HETATM 1789 CMD HEC A 110 2.015 8.302 -8.557 1.00 0.00 C HETATM 1790 CAD HEC A 110 -0.070 9.069 -10.857 1.00 0.00 C HETATM 1791 CBD HEC A 110 -0.233 10.577 -11.031 1.00 0.00 C HETATM 1792 CGD HEC A 110 -1.654 11.015 -10.708 1.00 0.00 C HETATM 1793 O1D HEC A 110 -2.432 11.174 -11.673 1.00 0.00 O HETATM 1794 O2D HEC A 110 -1.935 11.184 -9.501 1.00 0.00 O HETATM 0 HMD3 HEC A 110 2.388 8.983 -7.792 1.00 0.00 H new HETATM 0 HMD2 HEC A 110 2.417 7.304 -8.381 1.00 0.00 H new HETATM 0 HMD1 HEC A 110 2.330 8.652 -9.540 1.00 0.00 H new HETATM 0 HMC3 HEC A 110 -1.301 6.346 -0.891 1.00 0.00 H new HETATM 0 HMC2 HEC A 110 -1.317 4.688 -1.539 1.00 0.00 H new HETATM 0 HMC1 HEC A 110 0.231 5.531 -1.288 1.00 0.00 H new HETATM 0 HMB3 HEC A 110 -8.764 7.164 -4.500 1.00 0.00 H new HETATM 0 HMB2 HEC A 110 -8.572 5.614 -5.354 1.00 0.00 H new HETATM 0 HMB1 HEC A 110 -8.603 5.652 -3.575 1.00 0.00 H new HETATM 0 HMA3 HEC A 110 -8.096 9.669 -9.456 1.00 0.00 H new HETATM 0 HMA2 HEC A 110 -8.158 8.007 -10.088 1.00 0.00 H new HETATM 0 HMA1 HEC A 110 -8.431 8.310 -8.356 1.00 0.00 H new HETATM 0 HBD2 HEC A 110 0.469 11.099 -10.381 1.00 0.00 H new HETATM 0 HBD1 HEC A 110 0.013 10.857 -12.055 1.00 0.00 H new HETATM 0 HBC3 HEC A 110 1.489 5.383 -1.633 1.00 0.00 H new HETATM 0 HBC2 HEC A 110 1.658 4.301 -3.036 1.00 0.00 H new HETATM 0 HBC1 HEC A 110 3.061 5.226 -2.452 1.00 0.00 H new HETATM 0 HBB3 HEC A 110 -8.227 4.583 -2.710 1.00 0.00 H new HETATM 0 HBB2 HEC A 110 -6.970 3.387 -3.108 1.00 0.00 H new HETATM 0 HBB1 HEC A 110 -7.454 3.640 -1.414 1.00 0.00 H new HETATM 0 HBA2 HEC A 110 -5.443 7.232 -11.860 1.00 0.00 H new HETATM 0 HBA1 HEC A 110 -6.716 8.203 -12.572 1.00 0.00 H new HETATM 0 HAD2 HEC A 110 0.951 8.791 -11.121 1.00 0.00 H new HETATM 0 HAD1 HEC A 110 -0.730 8.559 -11.559 1.00 0.00 H new HETATM 0 HAA2 HEC A 110 -6.252 10.016 -11.272 1.00 0.00 H new HETATM 0 HAA1 HEC A 110 -4.519 9.816 -11.433 1.00 0.00 H new HETATM 0 HHD HEC A 110 1.388 7.441 -6.056 1.00 0.00 H new HETATM 0 HHC HEC A 110 -3.496 5.581 -2.258 1.00 0.00 H new HETATM 0 HHB HEC A 110 -7.650 7.726 -6.651 1.00 0.00 H new HETATM 0 HHA HEC A 110 -2.803 8.914 -10.678 1.00 0.00 H new HETATM 0 H2D HEC A 110 -1.115 11.149 -8.966 1.00 0.00 H new HETATM 0 H2A HEC A 110 -4.307 9.663 -14.787 1.00 0.00 H new HETATM 1827 FE HEC A 111 -11.985 12.188 0.015 1.00 0.00 FE HETATM 1828 CHA HEC A 111 -14.193 9.813 1.212 1.00 0.00 C HETATM 1829 CHB HEC A 111 -13.682 14.641 1.602 1.00 0.00 C HETATM 1830 CHC HEC A 111 -9.508 14.410 -0.898 1.00 0.00 C HETATM 1831 CHD HEC A 111 -10.359 9.644 -1.786 1.00 0.00 C HETATM 1832 NA HEC A 111 -13.594 12.206 1.157 1.00 0.00 N HETATM 1833 C1A HEC A 111 -14.387 11.146 1.561 1.00 0.00 C HETATM 1834 C2A HEC A 111 -15.460 11.616 2.405 1.00 0.00 C HETATM 1835 C3A HEC A 111 -15.321 12.954 2.515 1.00 0.00 C HETATM 1836 C4A HEC A 111 -14.161 13.326 1.740 1.00 0.00 C HETATM 1837 CMA HEC A 111 -16.183 13.913 3.285 1.00 0.00 C HETATM 1838 CAA HEC A 111 -16.512 10.743 3.024 1.00 0.00 C HETATM 1839 CBA HEC A 111 -16.309 10.487 4.515 1.00 0.00 C HETATM 1840 CGA HEC A 111 -17.604 10.037 5.175 1.00 0.00 C HETATM 1841 O1A HEC A 111 -17.670 10.133 6.419 1.00 0.00 O HETATM 1842 O2A HEC A 111 -18.505 9.605 4.423 1.00 0.00 O HETATM 1843 NB HEC A 111 -11.623 14.101 0.354 1.00 0.00 N HETATM 1844 C1B HEC A 111 -12.520 14.990 0.920 1.00 0.00 C HETATM 1845 C2B HEC A 111 -12.083 16.349 0.705 1.00 0.00 C HETATM 1846 C3B HEC A 111 -10.926 16.289 0.012 1.00 0.00 C HETATM 1847 C4B HEC A 111 -10.636 14.891 -0.208 1.00 0.00 C HETATM 1848 CMB HEC A 111 -12.812 17.572 1.181 1.00 0.00 C HETATM 1849 CAB HEC A 111 -10.071 17.428 -0.460 1.00 0.00 C HETATM 1850 CBB HEC A 111 -8.810 17.645 0.371 1.00 0.00 C HETATM 1851 NC HEC A 111 -10.222 12.015 -1.080 1.00 0.00 N HETATM 1852 C1C HEC A 111 -9.379 13.055 -1.431 1.00 0.00 C HETATM 1853 C2C HEC A 111 -8.410 12.607 -2.404 1.00 0.00 C HETATM 1854 C3C HEC A 111 -8.661 11.303 -2.643 1.00 0.00 C HETATM 1855 C4C HEC A 111 -9.788 10.930 -1.821 1.00 0.00 C HETATM 1856 CMC HEC A 111 -7.339 13.468 -3.008 1.00 0.00 C HETATM 1857 CAC HEC A 111 -7.935 10.378 -3.576 1.00 0.00 C HETATM 1858 CBC HEC A 111 -6.416 10.513 -3.526 1.00 0.00 C HETATM 1859 ND HEC A 111 -12.247 10.153 -0.281 1.00 0.00 N HETATM 1860 C1D HEC A 111 -11.429 9.279 -0.976 1.00 0.00 C HETATM 1861 C2D HEC A 111 -11.844 7.915 -0.745 1.00 0.00 C HETATM 1862 C3D HEC A 111 -12.907 7.958 0.085 1.00 0.00 C HETATM 1863 C4D HEC A 111 -13.161 9.349 0.377 1.00 0.00 C HETATM 1864 CMD HEC A 111 -11.184 6.705 -1.340 1.00 0.00 C HETATM 1865 CAD HEC A 111 -13.703 6.807 0.628 1.00 0.00 C HETATM 1866 CBD HEC A 111 -14.730 6.246 -0.351 1.00 0.00 C HETATM 1867 CGD HEC A 111 -15.546 5.133 0.289 1.00 0.00 C HETATM 1868 O1D HEC A 111 -15.099 4.638 1.347 1.00 0.00 O HETATM 1869 O2D HEC A 111 -16.602 4.798 -0.290 1.00 0.00 O HETATM 0 HMD3 HEC A 111 -11.232 6.762 -2.427 1.00 0.00 H new HETATM 0 HMD2 HEC A 111 -10.141 6.667 -1.025 1.00 0.00 H new HETATM 0 HMD1 HEC A 111 -11.698 5.806 -1.000 1.00 0.00 H new HETATM 0 HMC3 HEC A 111 -7.798 14.305 -3.534 1.00 0.00 H new HETATM 0 HMC2 HEC A 111 -6.690 13.848 -2.219 1.00 0.00 H new HETATM 0 HMC1 HEC A 111 -6.750 12.877 -3.710 1.00 0.00 H new HETATM 0 HMB3 HEC A 111 -13.808 17.596 0.740 1.00 0.00 H new HETATM 0 HMB2 HEC A 111 -12.897 17.545 2.267 1.00 0.00 H new HETATM 0 HMB1 HEC A 111 -12.261 18.464 0.882 1.00 0.00 H new HETATM 0 HMA3 HEC A 111 -17.205 13.868 2.907 1.00 0.00 H new HETATM 0 HMA2 HEC A 111 -16.174 13.643 4.341 1.00 0.00 H new HETATM 0 HMA1 HEC A 111 -15.797 14.925 3.166 1.00 0.00 H new HETATM 0 HBD2 HEC A 111 -15.395 7.044 -0.683 1.00 0.00 H new HETATM 0 HBD1 HEC A 111 -14.222 5.865 -1.237 1.00 0.00 H new HETATM 0 HBC3 HEC A 111 -6.132 11.530 -3.796 1.00 0.00 H new HETATM 0 HBC2 HEC A 111 -6.064 10.294 -2.518 1.00 0.00 H new HETATM 0 HBC1 HEC A 111 -5.965 9.812 -4.228 1.00 0.00 H new HETATM 0 HBB3 HEC A 111 -9.087 17.858 1.404 1.00 0.00 H new HETATM 0 HBB2 HEC A 111 -8.194 16.746 0.339 1.00 0.00 H new HETATM 0 HBB1 HEC A 111 -8.247 18.486 -0.035 1.00 0.00 H new HETATM 0 HBA2 HEC A 111 -15.542 9.725 4.655 1.00 0.00 H new HETATM 0 HBA1 HEC A 111 -15.948 11.395 4.997 1.00 0.00 H new HETATM 0 HAD2 HEC A 111 -13.018 6.010 0.917 1.00 0.00 H new HETATM 0 HAD1 HEC A 111 -14.217 7.129 1.533 1.00 0.00 H new HETATM 0 HAA2 HEC A 111 -17.487 11.206 2.875 1.00 0.00 H new HETATM 0 HAA1 HEC A 111 -16.530 9.787 2.501 1.00 0.00 H new HETATM 0 HHD HEC A 111 -9.933 8.882 -2.439 1.00 0.00 H new HETATM 0 HHC HEC A 111 -8.673 15.095 -1.045 1.00 0.00 H new HETATM 0 HHB HEC A 111 -14.261 15.442 2.061 1.00 0.00 H new HETATM 0 HHA HEC A 111 -14.890 9.077 1.614 1.00 0.00 H new HETATM 0 H2D HEC A 111 -16.976 5.571 -0.761 1.00 0.00 H new HETATM 0 H2A HEC A 111 -19.177 9.131 4.956 1.00 0.00 H new