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 65 TYR OH : rot -141:sc= 0.916 USER MOD Set 1.2: A 111 HEC O2D : rot 80:sc= 0.649! USER MOD Single : A 1 ALA N :NH3+ -104:sc= 0.0466 (180deg=0) 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 -144:sc= -4.33! (180deg=-6.34!) USER MOD Single : A 14 THR OG1 : rot -150:sc= -0.203 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -10.9! C(o=-11!,f=-21!) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.266 F(o=-0.9,f=-0.27) USER MOD Single : A 23 SER OG : rot 180:sc=-0.00631 USER MOD Single : A 24 THR OG1 : rot -12:sc= 0.345 USER MOD Single : A 26 LYS NZ :NH3+ 168:sc= -0.245 (180deg=-0.551) USER MOD Single : A 27 SER OG : rot -49:sc= 0.348 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot -39:sc= -1.72 USER MOD Single : A 45 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.187) USER MOD Single : A 48 THR OG1 : rot 170:sc= -2.07! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -167:sc= -0.276 (180deg=-0.659) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 101:sc= 0.648 USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 1.11 (180deg=1.08) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= -3.81! C(o=-3.8!,f=-9.2!) USER MOD Single : A 69 MET CE :methyl -158:sc= -5.91! (180deg=-7.83!) USER MOD Single : A 72 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0239) USER MOD Single : A 73 ASN : amide:sc= -0.006 X(o=-0.006,f=-0.14) USER MOD Single : A 74 THR OG1 : rot 82:sc= 1.29 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -154:sc= 0.322 USER MOD Single : A 93 LYS NZ :NH3+ -141:sc= -4.51 (180deg=-5.61!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 4:sc= -1.87! USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 35:sc= 0.893 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HEC O2A : rot 180:sc= -1.14! USER MOD Single : A 108 HEC O2D : rot 150:sc= -0.514 USER MOD Single : A 109 HEC O2A : rot 180:sc= -0.0422 USER MOD Single : A 109 HEC O2D : rot 165:sc= 0 USER MOD Single : A 110 HEC O2A : rot 180:sc= 0 USER MOD Single : A 110 HEC O2D : rot 180:sc= 0 USER MOD Single : A 111 HEC O2A : rot 165:sc= -0.0611 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.726 -16.415 -5.051 1.00 0.00 N ATOM 2 CA ALA A 1 0.582 -14.983 -4.856 1.00 0.00 C ATOM 3 C ALA A 1 -0.810 -14.547 -5.316 1.00 0.00 C ATOM 4 O ALA A 1 -1.413 -15.129 -6.215 1.00 0.00 O ATOM 5 CB ALA A 1 1.699 -14.251 -5.603 1.00 0.00 C ATOM 0 H1 ALA A 1 0.643 -16.900 -4.135 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.020 -16.755 -5.691 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.658 -16.617 -5.467 1.00 0.00 H new ATOM 0 HA ALA A 1 0.675 -14.728 -3.800 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.591 -13.176 -5.457 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.666 -14.574 -5.218 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.636 -14.480 -6.667 1.00 0.00 H new ATOM 13 N PRO A 2 -1.314 -13.493 -4.669 1.00 0.00 N ATOM 14 CA PRO A 2 -2.611 -12.911 -4.942 1.00 0.00 C ATOM 15 C PRO A 2 -2.492 -11.913 -6.085 1.00 0.00 C ATOM 16 O PRO A 2 -2.744 -10.729 -5.867 1.00 0.00 O ATOM 17 CB PRO A 2 -3.008 -12.213 -3.643 1.00 0.00 C ATOM 18 CG PRO A 2 -1.601 -11.682 -3.185 1.00 0.00 C ATOM 19 CD PRO A 2 -0.633 -12.785 -3.607 1.00 0.00 C ATOM 0 HA PRO A 2 -3.354 -13.650 -5.242 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -3.726 -11.409 -3.803 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -3.452 -12.897 -2.920 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -1.358 -10.733 -3.663 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -1.569 -11.514 -2.109 1.00 0.00 H new ATOM 0 HD2 PRO A 2 0.313 -12.369 -3.953 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -0.403 -13.449 -2.774 1.00 0.00 H new ATOM 27 N LYS A 3 -2.117 -12.397 -7.260 1.00 0.00 N ATOM 28 CA LYS A 3 -1.972 -11.528 -8.415 1.00 0.00 C ATOM 29 C LYS A 3 -3.114 -10.510 -8.429 1.00 0.00 C ATOM 30 O LYS A 3 -4.271 -10.866 -8.208 1.00 0.00 O ATOM 31 CB LYS A 3 -1.871 -12.355 -9.698 1.00 0.00 C ATOM 32 CG LYS A 3 -0.468 -12.942 -9.863 1.00 0.00 C ATOM 33 CD LYS A 3 -0.003 -12.854 -11.318 1.00 0.00 C ATOM 34 CE LYS A 3 1.132 -13.842 -11.592 1.00 0.00 C ATOM 35 NZ LYS A 3 0.992 -14.430 -12.943 1.00 0.00 N ATOM 0 H LYS A 3 -1.909 -13.380 -7.437 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.042 -10.964 -8.352 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.605 -13.160 -9.675 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.111 -11.730 -10.558 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.232 -12.407 -9.221 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.465 -13.983 -9.539 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.840 -13.063 -11.984 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.332 -11.840 -11.536 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.093 -13.334 -11.508 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.123 -14.633 -10.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.770 -15.098 -13.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.084 -14.932 -13.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.023 -13.673 -13.656 1.00 0.00 H new ATOM 49 N ALA A 4 -2.750 -9.263 -8.690 1.00 0.00 N ATOM 50 CA ALA A 4 -3.729 -8.191 -8.735 1.00 0.00 C ATOM 51 C ALA A 4 -4.797 -8.525 -9.779 1.00 0.00 C ATOM 52 O ALA A 4 -4.524 -9.099 -10.830 1.00 0.00 O ATOM 53 CB ALA A 4 -3.023 -6.865 -9.027 1.00 0.00 C ATOM 0 H ALA A 4 -1.790 -8.971 -8.873 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.229 -8.088 -7.772 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.758 -6.061 -9.061 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.296 -6.659 -8.241 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.511 -6.929 -9.987 1.00 0.00 H new ATOM 59 N PRO A 5 -6.037 -8.147 -9.459 1.00 0.00 N ATOM 60 CA PRO A 5 -7.196 -8.360 -10.297 1.00 0.00 C ATOM 61 C PRO A 5 -7.219 -7.323 -11.411 1.00 0.00 C ATOM 62 O PRO A 5 -6.342 -6.460 -11.437 1.00 0.00 O ATOM 63 CB PRO A 5 -8.392 -8.186 -9.363 1.00 0.00 C ATOM 64 CG PRO A 5 -7.885 -7.173 -8.362 1.00 0.00 C ATOM 65 CD PRO A 5 -6.393 -7.470 -8.231 1.00 0.00 C ATOM 0 HA PRO A 5 -7.200 -9.340 -10.774 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.272 -7.825 -9.895 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -8.672 -9.124 -8.884 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.057 -6.154 -8.708 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.394 -7.274 -7.404 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.818 -6.553 -8.105 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.190 -8.096 -7.362 1.00 0.00 H new ATOM 73 N ALA A 6 -8.200 -7.423 -12.296 1.00 0.00 N ATOM 74 CA ALA A 6 -8.311 -6.483 -13.399 1.00 0.00 C ATOM 75 C ALA A 6 -9.074 -5.242 -12.932 1.00 0.00 C ATOM 76 O ALA A 6 -9.955 -5.335 -12.079 1.00 0.00 O ATOM 77 CB ALA A 6 -8.986 -7.170 -14.588 1.00 0.00 C ATOM 0 H ALA A 6 -8.925 -8.140 -12.272 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.324 -6.158 -13.727 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.070 -6.466 -15.416 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.389 -8.027 -14.900 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.981 -7.507 -14.297 1.00 0.00 H new ATOM 83 N ASP A 7 -8.708 -4.109 -13.512 1.00 0.00 N ATOM 84 CA ASP A 7 -9.347 -2.851 -13.166 1.00 0.00 C ATOM 85 C ASP A 7 -10.863 -3.051 -13.115 1.00 0.00 C ATOM 86 O ASP A 7 -11.372 -4.082 -13.550 1.00 0.00 O ATOM 87 CB ASP A 7 -9.047 -1.775 -14.212 1.00 0.00 C ATOM 88 CG ASP A 7 -7.649 -1.844 -14.829 1.00 0.00 C ATOM 89 OD1 ASP A 7 -6.718 -2.220 -14.084 1.00 0.00 O ATOM 90 OD2 ASP A 7 -7.543 -1.520 -16.031 1.00 0.00 O ATOM 0 H ASP A 7 -7.977 -4.036 -14.219 1.00 0.00 H new ATOM 0 HA ASP A 7 -8.960 -2.531 -12.198 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.784 -1.851 -15.011 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -9.176 -0.796 -13.751 1.00 0.00 H new ATOM 95 N GLY A 8 -11.542 -2.047 -12.578 1.00 0.00 N ATOM 96 CA GLY A 8 -12.990 -2.101 -12.464 1.00 0.00 C ATOM 97 C GLY A 8 -13.425 -2.079 -10.998 1.00 0.00 C ATOM 98 O GLY A 8 -14.573 -2.390 -10.682 1.00 0.00 O ATOM 0 H GLY A 8 -11.117 -1.193 -12.218 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.432 -1.255 -12.991 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.363 -3.006 -12.944 1.00 0.00 H new ATOM 102 N LEU A 9 -12.486 -1.707 -10.140 1.00 0.00 N ATOM 103 CA LEU A 9 -12.759 -1.640 -8.714 1.00 0.00 C ATOM 104 C LEU A 9 -12.998 -0.184 -8.313 1.00 0.00 C ATOM 105 O LEU A 9 -12.147 0.675 -8.540 1.00 0.00 O ATOM 106 CB LEU A 9 -11.640 -2.320 -7.923 1.00 0.00 C ATOM 107 CG LEU A 9 -10.887 -1.433 -6.929 1.00 0.00 C ATOM 108 CD1 LEU A 9 -11.742 -1.146 -5.693 1.00 0.00 C ATOM 109 CD2 LEU A 9 -9.535 -2.047 -6.561 1.00 0.00 C ATOM 0 H LEU A 9 -11.535 -1.449 -10.405 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.669 -2.190 -8.473 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.067 -3.161 -7.378 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.920 -2.731 -8.631 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.685 -0.476 -7.410 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.183 -0.514 -5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.657 -0.635 -5.994 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.996 -2.085 -5.200 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.021 -1.397 -5.853 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.691 -3.026 -6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.928 -2.157 -7.460 1.00 0.00 H new ATOM 121 N LYS A 10 -14.161 0.051 -7.723 1.00 0.00 N ATOM 122 CA LYS A 10 -14.524 1.389 -7.288 1.00 0.00 C ATOM 123 C LYS A 10 -15.130 1.317 -5.885 1.00 0.00 C ATOM 124 O LYS A 10 -15.858 0.379 -5.566 1.00 0.00 O ATOM 125 CB LYS A 10 -15.436 2.059 -8.318 1.00 0.00 C ATOM 126 CG LYS A 10 -16.861 1.510 -8.227 1.00 0.00 C ATOM 127 CD LYS A 10 -16.974 0.156 -8.930 1.00 0.00 C ATOM 128 CE LYS A 10 -17.621 -0.885 -8.015 1.00 0.00 C ATOM 129 NZ LYS A 10 -17.802 -2.166 -8.733 1.00 0.00 N ATOM 0 H LYS A 10 -14.865 -0.663 -7.536 1.00 0.00 H new ATOM 0 HA LYS A 10 -13.639 2.021 -7.222 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.446 3.136 -8.154 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.042 1.893 -9.321 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -17.148 1.405 -7.181 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -17.556 2.217 -8.679 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -17.565 0.263 -9.840 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -15.984 -0.185 -9.231 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -16.998 -1.040 -7.134 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -18.586 -0.519 -7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -18.242 -2.861 -8.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -18.414 -2.017 -9.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.877 -2.522 -9.047 1.00 0.00 H new ATOM 143 N MET A 11 -14.805 2.322 -5.083 1.00 0.00 N ATOM 144 CA MET A 11 -15.308 2.385 -3.722 1.00 0.00 C ATOM 145 C MET A 11 -16.334 3.509 -3.568 1.00 0.00 C ATOM 146 O MET A 11 -16.024 4.675 -3.809 1.00 0.00 O ATOM 147 CB MET A 11 -14.144 2.620 -2.757 1.00 0.00 C ATOM 148 CG MET A 11 -12.947 1.737 -3.117 1.00 0.00 C ATOM 149 SD MET A 11 -11.426 2.635 -2.861 1.00 0.00 S ATOM 150 CE MET A 11 -11.209 2.385 -1.107 1.00 0.00 C ATOM 0 H MET A 11 -14.200 3.098 -5.351 1.00 0.00 H new ATOM 0 HA MET A 11 -15.797 1.438 -3.491 1.00 0.00 H new ATOM 0 HB2 MET A 11 -13.849 3.669 -2.786 1.00 0.00 H new ATOM 0 HB3 MET A 11 -14.464 2.407 -1.737 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.953 0.835 -2.505 1.00 0.00 H new ATOM 0 HG3 MET A 11 -13.020 1.418 -4.157 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.779 3.282 -0.662 1.00 0.00 H new ATOM 0 HE2 MET A 11 -12.175 2.179 -0.647 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.540 1.541 -0.940 1.00 0.00 H new ATOM 160 N GLU A 12 -17.535 3.120 -3.166 1.00 0.00 N ATOM 161 CA GLU A 12 -18.609 4.081 -2.977 1.00 0.00 C ATOM 162 C GLU A 12 -19.547 3.615 -1.862 1.00 0.00 C ATOM 163 O GLU A 12 -20.742 3.427 -2.089 1.00 0.00 O ATOM 164 CB GLU A 12 -19.377 4.309 -4.280 1.00 0.00 C ATOM 165 CG GLU A 12 -20.143 3.050 -4.692 1.00 0.00 C ATOM 166 CD GLU A 12 -21.597 3.382 -5.037 1.00 0.00 C ATOM 167 OE1 GLU A 12 -22.169 4.234 -4.323 1.00 0.00 O ATOM 168 OE2 GLU A 12 -22.102 2.776 -6.006 1.00 0.00 O ATOM 0 H GLU A 12 -17.788 2.152 -2.966 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.170 5.034 -2.682 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -20.073 5.138 -4.156 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.682 4.592 -5.071 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -19.657 2.589 -5.552 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -20.115 2.321 -3.882 1.00 0.00 H new ATOM 175 N ALA A 13 -18.972 3.443 -0.681 1.00 0.00 N ATOM 176 CA ALA A 13 -19.742 3.003 0.470 1.00 0.00 C ATOM 177 C ALA A 13 -20.407 4.215 1.127 1.00 0.00 C ATOM 178 O ALA A 13 -21.427 4.079 1.801 1.00 0.00 O ATOM 179 CB ALA A 13 -18.830 2.245 1.436 1.00 0.00 C ATOM 0 H ALA A 13 -17.981 3.600 -0.496 1.00 0.00 H new ATOM 0 HA ALA A 13 -20.533 2.318 0.163 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -19.408 1.915 2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.406 1.377 0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -18.025 2.901 1.768 1.00 0.00 H new ATOM 185 N THR A 14 -19.802 5.373 0.907 1.00 0.00 N ATOM 186 CA THR A 14 -20.322 6.608 1.470 1.00 0.00 C ATOM 187 C THR A 14 -21.082 7.401 0.405 1.00 0.00 C ATOM 188 O THR A 14 -21.550 6.832 -0.581 1.00 0.00 O ATOM 189 CB THR A 14 -19.150 7.379 2.081 1.00 0.00 C ATOM 190 OG1 THR A 14 -18.581 8.078 0.977 1.00 0.00 O ATOM 191 CG2 THR A 14 -18.026 6.457 2.557 1.00 0.00 C ATOM 0 H THR A 14 -18.957 5.482 0.347 1.00 0.00 H new ATOM 0 HA THR A 14 -21.046 6.409 2.260 1.00 0.00 H new ATOM 0 HB THR A 14 -19.507 7.977 2.919 1.00 0.00 H new ATOM 0 HG1 THR A 14 -17.620 8.199 1.126 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.220 7.055 2.982 1.00 0.00 H new ATOM 0 HG22 THR A 14 -18.411 5.776 3.316 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.645 5.882 1.713 1.00 0.00 H new ATOM 199 N LYS A 15 -21.180 8.701 0.638 1.00 0.00 N ATOM 200 CA LYS A 15 -21.875 9.578 -0.289 1.00 0.00 C ATOM 201 C LYS A 15 -20.874 10.140 -1.300 1.00 0.00 C ATOM 202 O LYS A 15 -21.074 11.229 -1.837 1.00 0.00 O ATOM 203 CB LYS A 15 -22.652 10.654 0.472 1.00 0.00 C ATOM 204 CG LYS A 15 -23.588 10.027 1.507 1.00 0.00 C ATOM 205 CD LYS A 15 -24.837 10.887 1.709 1.00 0.00 C ATOM 206 CE LYS A 15 -25.191 11.000 3.193 1.00 0.00 C ATOM 207 NZ LYS A 15 -26.659 10.985 3.378 1.00 0.00 N ATOM 0 H LYS A 15 -20.789 9.169 1.456 1.00 0.00 H new ATOM 0 HA LYS A 15 -22.621 9.020 -0.855 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -21.954 11.328 0.969 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -23.231 11.255 -0.230 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -23.879 9.028 1.182 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -23.063 9.913 2.456 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -24.669 11.881 1.295 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -25.675 10.452 1.164 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -24.741 10.175 3.744 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -24.776 11.921 3.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -26.882 11.063 4.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -27.081 11.787 2.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -27.047 10.095 3.005 1.00 0.00 H new ATOM 221 N GLN A 16 -19.819 9.373 -1.529 1.00 0.00 N ATOM 222 CA GLN A 16 -18.786 9.781 -2.466 1.00 0.00 C ATOM 223 C GLN A 16 -18.041 8.557 -3.002 1.00 0.00 C ATOM 224 O GLN A 16 -17.218 7.946 -2.325 1.00 0.00 O ATOM 225 CB GLN A 16 -17.817 10.771 -1.817 1.00 0.00 C ATOM 226 CG GLN A 16 -18.374 11.296 -0.492 1.00 0.00 C ATOM 227 CD GLN A 16 -17.377 12.236 0.189 1.00 0.00 C ATOM 228 OE1 GLN A 16 -16.173 12.125 0.030 1.00 0.00 O ATOM 229 NE2 GLN A 16 -17.945 13.164 0.954 1.00 0.00 N ATOM 0 H GLN A 16 -19.657 8.471 -1.082 1.00 0.00 H new ATOM 0 HA GLN A 16 -19.264 10.287 -3.305 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -16.857 10.285 -1.645 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -17.635 11.605 -2.495 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -19.312 11.822 -0.671 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -18.599 10.459 0.169 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -18.960 13.200 1.043 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -17.365 13.840 1.452 1.00 0.00 H new ATOM 238 N PRO A 17 -18.355 8.209 -4.253 1.00 0.00 N ATOM 239 CA PRO A 17 -17.772 7.088 -4.958 1.00 0.00 C ATOM 240 C PRO A 17 -16.393 7.471 -5.476 1.00 0.00 C ATOM 241 O PRO A 17 -16.251 8.556 -6.038 1.00 0.00 O ATOM 242 CB PRO A 17 -18.733 6.809 -6.111 1.00 0.00 C ATOM 243 CG PRO A 17 -19.298 8.169 -6.414 1.00 0.00 C ATOM 244 CD PRO A 17 -19.319 8.905 -5.077 1.00 0.00 C ATOM 0 HA PRO A 17 -17.641 6.210 -4.325 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.218 6.384 -6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -19.512 6.102 -5.825 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -18.683 8.696 -7.143 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.300 8.093 -6.837 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -19.050 9.954 -5.199 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.312 8.881 -4.629 1.00 0.00 H new ATOM 252 N VAL A 18 -15.420 6.593 -5.281 1.00 0.00 N ATOM 253 CA VAL A 18 -14.067 6.863 -5.736 1.00 0.00 C ATOM 254 C VAL A 18 -13.501 5.611 -6.410 1.00 0.00 C ATOM 255 O VAL A 18 -13.266 4.600 -5.751 1.00 0.00 O ATOM 256 CB VAL A 18 -13.210 7.352 -4.567 1.00 0.00 C ATOM 257 CG1 VAL A 18 -11.802 7.722 -5.037 1.00 0.00 C ATOM 258 CG2 VAL A 18 -13.877 8.529 -3.852 1.00 0.00 C ATOM 0 H VAL A 18 -15.542 5.694 -4.814 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.066 7.661 -6.479 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.120 6.534 -3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.213 8.066 -4.187 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.324 6.847 -5.479 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.864 8.516 -5.781 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.247 8.857 -3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.012 9.352 -4.554 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.848 8.218 -3.467 1.00 0.00 H new ATOM 268 N VAL A 19 -13.299 5.721 -7.714 1.00 0.00 N ATOM 269 CA VAL A 19 -12.765 4.611 -8.485 1.00 0.00 C ATOM 270 C VAL A 19 -11.245 4.563 -8.317 1.00 0.00 C ATOM 271 O VAL A 19 -10.608 5.594 -8.102 1.00 0.00 O ATOM 272 CB VAL A 19 -13.201 4.730 -9.946 1.00 0.00 C ATOM 273 CG1 VAL A 19 -12.179 5.525 -10.761 1.00 0.00 C ATOM 274 CG2 VAL A 19 -13.439 3.350 -10.562 1.00 0.00 C ATOM 0 H VAL A 19 -13.495 6.562 -8.257 1.00 0.00 H new ATOM 0 HA VAL A 19 -13.163 3.665 -8.117 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.145 5.275 -9.970 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.514 5.594 -11.796 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.081 6.527 -10.343 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.213 5.021 -10.725 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -13.748 3.464 -11.601 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.518 2.769 -10.519 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.221 2.833 -10.006 1.00 0.00 H new ATOM 284 N PHE A 20 -10.707 3.357 -8.420 1.00 0.00 N ATOM 285 CA PHE A 20 -9.274 3.161 -8.282 1.00 0.00 C ATOM 286 C PHE A 20 -8.823 1.886 -8.998 1.00 0.00 C ATOM 287 O PHE A 20 -9.233 0.786 -8.631 1.00 0.00 O ATOM 288 CB PHE A 20 -8.984 3.022 -6.786 1.00 0.00 C ATOM 289 CG PHE A 20 -7.850 2.049 -6.460 1.00 0.00 C ATOM 290 CD1 PHE A 20 -8.106 0.717 -6.356 1.00 0.00 C ATOM 291 CD2 PHE A 20 -6.586 2.515 -6.275 1.00 0.00 C ATOM 292 CE1 PHE A 20 -7.053 -0.186 -6.053 1.00 0.00 C ATOM 293 CE2 PHE A 20 -5.533 1.611 -5.972 1.00 0.00 C ATOM 294 CZ PHE A 20 -5.789 0.280 -5.868 1.00 0.00 C ATOM 0 H PHE A 20 -11.238 2.505 -8.598 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.739 4.002 -8.724 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.734 4.003 -6.382 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.891 2.690 -6.280 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -9.110 0.347 -6.504 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.383 3.572 -6.358 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.256 -1.243 -5.969 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.529 1.981 -5.824 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.988 -0.407 -5.638 1.00 0.00 H new ATOM 304 N ASN A 21 -7.985 2.077 -10.006 1.00 0.00 N ATOM 305 CA ASN A 21 -7.473 0.956 -10.776 1.00 0.00 C ATOM 306 C ASN A 21 -6.064 0.610 -10.291 1.00 0.00 C ATOM 307 O ASN A 21 -5.214 1.486 -10.146 1.00 0.00 O ATOM 308 CB ASN A 21 -7.389 1.303 -12.264 1.00 0.00 C ATOM 309 CG ASN A 21 -8.437 2.351 -12.643 1.00 0.00 C ATOM 310 OD1 ASN A 21 -9.647 2.111 -12.145 1.00 0.00 O flip ATOM 311 ND2 ASN A 21 -8.166 3.313 -13.341 1.00 0.00 N flip ATOM 0 H ASN A 21 -7.648 2.991 -10.307 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.153 0.115 -10.639 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.393 1.679 -12.498 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.538 0.403 -12.860 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.216 3.438 -13.691 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.889 3.993 -13.575 1.00 0.00 H new ATOM 318 N HIS A 22 -5.854 -0.685 -10.048 1.00 0.00 N ATOM 319 CA HIS A 22 -4.574 -1.204 -9.580 1.00 0.00 C ATOM 320 C HIS A 22 -3.468 -0.857 -10.593 1.00 0.00 C ATOM 321 O HIS A 22 -2.304 -0.728 -10.218 1.00 0.00 O ATOM 322 CB HIS A 22 -4.722 -2.707 -9.296 1.00 0.00 C ATOM 323 CG HIS A 22 -5.282 -3.092 -7.946 1.00 0.00 C ATOM 324 ND1 HIS A 22 -6.575 -3.369 -7.756 1.00 0.00 N ATOM 325 CD2 HIS A 22 -4.676 -3.236 -6.721 1.00 0.00 C ATOM 326 CE1 HIS A 22 -6.768 -3.675 -6.464 1.00 0.00 C ATOM 327 NE2 HIS A 22 -5.627 -3.608 -5.779 1.00 0.00 N ATOM 0 H HIS A 22 -6.569 -1.402 -10.171 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.272 -0.736 -8.643 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.363 -3.137 -10.065 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.742 -3.171 -9.402 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -7.298 -3.351 -8.476 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.625 -3.084 -6.522 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -7.723 -3.941 -6.035 1.00 0.00 H new ATOM 335 N SER A 23 -3.873 -0.716 -11.847 1.00 0.00 N ATOM 336 CA SER A 23 -2.932 -0.387 -12.904 1.00 0.00 C ATOM 337 C SER A 23 -2.265 0.959 -12.611 1.00 0.00 C ATOM 338 O SER A 23 -1.067 1.124 -12.837 1.00 0.00 O ATOM 339 CB SER A 23 -3.626 -0.349 -14.267 1.00 0.00 C ATOM 340 OG SER A 23 -4.516 0.758 -14.382 1.00 0.00 O ATOM 0 H SER A 23 -4.840 -0.824 -12.154 1.00 0.00 H new ATOM 0 HA SER A 23 -2.169 -1.164 -12.936 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.875 -0.294 -15.055 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.179 -1.276 -14.418 1.00 0.00 H new ATOM 0 HG SER A 23 -4.938 0.748 -15.266 1.00 0.00 H new ATOM 346 N THR A 24 -3.069 1.885 -12.111 1.00 0.00 N ATOM 347 CA THR A 24 -2.571 3.211 -11.784 1.00 0.00 C ATOM 348 C THR A 24 -1.874 3.198 -10.423 1.00 0.00 C ATOM 349 O THR A 24 -1.393 4.226 -9.951 1.00 0.00 O ATOM 350 CB THR A 24 -3.747 4.188 -11.856 1.00 0.00 C ATOM 351 OG1 THR A 24 -4.676 3.684 -10.900 1.00 0.00 O ATOM 352 CG2 THR A 24 -4.498 4.104 -13.186 1.00 0.00 C ATOM 0 H THR A 24 -4.062 1.744 -11.924 1.00 0.00 H new ATOM 0 HA THR A 24 -1.814 3.537 -12.498 1.00 0.00 H new ATOM 0 HB THR A 24 -3.383 5.205 -11.709 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.407 2.782 -10.626 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.322 4.817 -13.184 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.817 4.339 -14.004 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.891 3.096 -13.319 1.00 0.00 H new ATOM 360 N HIS A 25 -1.839 2.010 -9.818 1.00 0.00 N ATOM 361 CA HIS A 25 -1.217 1.802 -8.516 1.00 0.00 C ATOM 362 C HIS A 25 -0.599 0.393 -8.453 1.00 0.00 C ATOM 363 O HIS A 25 -0.832 -0.342 -7.495 1.00 0.00 O ATOM 364 CB HIS A 25 -2.254 2.086 -7.419 1.00 0.00 C ATOM 365 CG HIS A 25 -2.807 3.491 -7.354 1.00 0.00 C ATOM 366 ND1 HIS A 25 -3.836 3.894 -8.106 1.00 0.00 N ATOM 367 CD2 HIS A 25 -2.438 4.577 -6.597 1.00 0.00 C ATOM 368 CE1 HIS A 25 -4.097 5.181 -7.829 1.00 0.00 C ATOM 369 NE2 HIS A 25 -3.263 5.652 -6.904 1.00 0.00 N ATOM 0 H HIS A 25 -2.243 1.165 -10.221 1.00 0.00 H new ATOM 0 HA HIS A 25 -0.391 2.495 -8.353 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -3.089 1.398 -7.554 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.802 1.854 -6.455 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -4.340 3.318 -8.780 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.633 4.592 -5.877 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.881 5.759 -8.295 1.00 0.00 H new ATOM 377 N LYS A 26 0.172 0.067 -9.480 1.00 0.00 N ATOM 378 CA LYS A 26 0.818 -1.233 -9.547 1.00 0.00 C ATOM 379 C LYS A 26 2.312 -1.071 -9.254 1.00 0.00 C ATOM 380 O LYS A 26 3.067 -2.040 -9.309 1.00 0.00 O ATOM 381 CB LYS A 26 0.525 -1.909 -10.888 1.00 0.00 C ATOM 382 CG LYS A 26 1.279 -1.219 -12.027 1.00 0.00 C ATOM 383 CD LYS A 26 1.642 -2.218 -13.127 1.00 0.00 C ATOM 384 CE LYS A 26 0.423 -2.551 -13.990 1.00 0.00 C ATOM 385 NZ LYS A 26 -0.051 -1.345 -14.705 1.00 0.00 N ATOM 0 H LYS A 26 0.364 0.680 -10.272 1.00 0.00 H new ATOM 0 HA LYS A 26 0.413 -1.899 -8.785 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.813 -2.959 -10.840 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.546 -1.881 -11.087 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.665 -0.421 -12.444 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.185 -0.754 -11.639 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.433 -1.804 -13.753 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.035 -3.131 -12.679 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.680 -3.329 -14.708 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.376 -2.947 -13.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.740 -1.622 -15.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.503 -0.696 -14.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.756 -0.869 -15.155 1.00 0.00 H new ATOM 399 N SER A 27 2.692 0.161 -8.950 1.00 0.00 N ATOM 400 CA SER A 27 4.081 0.463 -8.648 1.00 0.00 C ATOM 401 C SER A 27 4.227 0.831 -7.170 1.00 0.00 C ATOM 402 O SER A 27 5.109 1.606 -6.805 1.00 0.00 O ATOM 403 CB SER A 27 4.602 1.598 -9.532 1.00 0.00 C ATOM 404 OG SER A 27 6.019 1.732 -9.448 1.00 0.00 O ATOM 0 H SER A 27 2.062 0.962 -8.906 1.00 0.00 H new ATOM 0 HA SER A 27 4.677 -0.426 -8.855 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.316 1.412 -10.567 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.131 2.535 -9.235 1.00 0.00 H new ATOM 0 HG SER A 27 6.291 1.746 -8.507 1.00 0.00 H new ATOM 410 N VAL A 28 3.350 0.256 -6.361 1.00 0.00 N ATOM 411 CA VAL A 28 3.371 0.513 -4.931 1.00 0.00 C ATOM 412 C VAL A 28 3.187 -0.805 -4.177 1.00 0.00 C ATOM 413 O VAL A 28 2.355 -1.629 -4.554 1.00 0.00 O ATOM 414 CB VAL A 28 2.314 1.560 -4.572 1.00 0.00 C ATOM 415 CG1 VAL A 28 2.042 1.570 -3.066 1.00 0.00 C ATOM 416 CG2 VAL A 28 2.728 2.948 -5.064 1.00 0.00 C ATOM 0 H VAL A 28 2.620 -0.387 -6.668 1.00 0.00 H new ATOM 0 HA VAL A 28 4.334 0.927 -4.632 1.00 0.00 H new ATOM 0 HB VAL A 28 1.388 1.288 -5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.287 2.323 -2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.682 0.589 -2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.962 1.805 -2.532 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.960 3.673 -4.796 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.672 3.232 -4.600 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.847 2.929 -6.147 1.00 0.00 H new ATOM 426 N LYS A 29 3.976 -0.963 -3.124 1.00 0.00 N ATOM 427 CA LYS A 29 3.911 -2.168 -2.314 1.00 0.00 C ATOM 428 C LYS A 29 2.468 -2.392 -1.858 1.00 0.00 C ATOM 429 O LYS A 29 1.845 -1.496 -1.290 1.00 0.00 O ATOM 430 CB LYS A 29 4.915 -2.093 -1.162 1.00 0.00 C ATOM 431 CG LYS A 29 5.608 -3.441 -0.951 1.00 0.00 C ATOM 432 CD LYS A 29 5.453 -3.917 0.495 1.00 0.00 C ATOM 433 CE LYS A 29 6.532 -4.940 0.854 1.00 0.00 C ATOM 434 NZ LYS A 29 6.626 -5.101 2.322 1.00 0.00 N ATOM 0 H LYS A 29 4.664 -0.277 -2.813 1.00 0.00 H new ATOM 0 HA LYS A 29 4.200 -3.039 -2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.660 -1.326 -1.373 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.403 -1.796 -0.247 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.184 -4.182 -1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.666 -3.352 -1.197 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.516 -3.064 1.171 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.467 -4.360 0.632 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.300 -5.899 0.391 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.494 -4.618 0.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.363 -5.799 2.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.869 -4.188 2.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.712 -5.430 2.694 1.00 0.00 H new ATOM 448 N CYS A 30 1.977 -3.594 -2.125 1.00 0.00 N ATOM 449 CA CYS A 30 0.619 -3.948 -1.749 1.00 0.00 C ATOM 450 C CYS A 30 0.448 -3.675 -0.254 1.00 0.00 C ATOM 451 O CYS A 30 -0.666 -3.446 0.216 1.00 0.00 O ATOM 452 CB CYS A 30 0.294 -5.401 -2.105 1.00 0.00 C ATOM 453 SG CYS A 30 1.024 -5.988 -3.677 1.00 0.00 S ATOM 0 H CYS A 30 2.496 -4.335 -2.597 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.088 -3.338 -2.312 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.641 -6.045 -1.297 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.789 -5.514 -2.159 1.00 0.00 H new ATOM 458 N GLY A 31 1.568 -3.708 0.454 1.00 0.00 N ATOM 459 CA GLY A 31 1.555 -3.467 1.887 1.00 0.00 C ATOM 460 C GLY A 31 1.341 -1.983 2.191 1.00 0.00 C ATOM 461 O GLY A 31 1.231 -1.594 3.353 1.00 0.00 O ATOM 0 H GLY A 31 2.490 -3.898 0.062 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.763 -4.055 2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.497 -3.799 2.324 1.00 0.00 H new ATOM 465 N ASP A 32 1.288 -1.195 1.127 1.00 0.00 N ATOM 466 CA ASP A 32 1.089 0.237 1.266 1.00 0.00 C ATOM 467 C ASP A 32 -0.403 0.526 1.441 1.00 0.00 C ATOM 468 O ASP A 32 -0.781 1.429 2.186 1.00 0.00 O ATOM 469 CB ASP A 32 1.572 0.984 0.021 1.00 0.00 C ATOM 470 CG ASP A 32 1.965 2.444 0.254 1.00 0.00 C ATOM 471 OD1 ASP A 32 1.586 2.970 1.323 1.00 0.00 O ATOM 472 OD2 ASP A 32 2.637 3.001 -0.641 1.00 0.00 O ATOM 0 H ASP A 32 1.379 -1.522 0.165 1.00 0.00 H new ATOM 0 HA ASP A 32 1.659 0.574 2.132 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.430 0.454 -0.392 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.785 0.951 -0.732 1.00 0.00 H new ATOM 477 N CYS A 33 -1.211 -0.258 0.743 1.00 0.00 N ATOM 478 CA CYS A 33 -2.654 -0.098 0.812 1.00 0.00 C ATOM 479 C CYS A 33 -3.219 -1.217 1.689 1.00 0.00 C ATOM 480 O CYS A 33 -4.091 -0.983 2.524 1.00 0.00 O ATOM 481 CB CYS A 33 -3.289 -0.088 -0.580 1.00 0.00 C ATOM 482 SG CYS A 33 -3.497 1.635 -1.160 1.00 0.00 S ATOM 0 H CYS A 33 -0.894 -1.006 0.127 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.895 0.868 1.256 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.662 -0.643 -1.279 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.256 -0.590 -0.551 1.00 0.00 H new ATOM 487 N HIS A 34 -2.697 -2.424 1.470 1.00 0.00 N ATOM 488 CA HIS A 34 -3.110 -3.612 2.209 1.00 0.00 C ATOM 489 C HIS A 34 -2.127 -3.874 3.365 1.00 0.00 C ATOM 490 O HIS A 34 -1.268 -4.747 3.268 1.00 0.00 O ATOM 491 CB HIS A 34 -3.256 -4.783 1.227 1.00 0.00 C ATOM 492 CG HIS A 34 -4.184 -4.573 0.052 1.00 0.00 C ATOM 493 ND1 HIS A 34 -5.514 -4.544 0.182 1.00 0.00 N ATOM 494 CD2 HIS A 34 -3.925 -4.380 -1.284 1.00 0.00 C ATOM 495 CE1 HIS A 34 -6.063 -4.343 -1.027 1.00 0.00 C ATOM 496 NE2 HIS A 34 -5.127 -4.234 -1.968 1.00 0.00 N ATOM 0 H HIS A 34 -1.974 -2.603 0.773 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.085 -3.472 2.676 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.267 -5.027 0.840 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.604 -5.653 1.784 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -6.028 -4.656 1.056 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.943 -4.347 -1.732 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.125 -4.278 -1.212 1.00 0.00 H new ATOM 504 N HIS A 35 -2.289 -3.099 4.438 1.00 0.00 N ATOM 505 CA HIS A 35 -1.451 -3.207 5.627 1.00 0.00 C ATOM 506 C HIS A 35 -1.740 -4.535 6.349 1.00 0.00 C ATOM 507 O HIS A 35 -2.821 -5.110 6.237 1.00 0.00 O ATOM 508 CB HIS A 35 -1.656 -1.957 6.496 1.00 0.00 C ATOM 509 CG HIS A 35 -2.981 -1.838 7.212 1.00 0.00 C ATOM 510 ND1 HIS A 35 -3.420 -2.760 8.073 1.00 0.00 N ATOM 511 CD2 HIS A 35 -3.954 -0.867 7.163 1.00 0.00 C ATOM 512 CE1 HIS A 35 -4.618 -2.380 8.544 1.00 0.00 C ATOM 513 NE2 HIS A 35 -4.995 -1.217 8.014 1.00 0.00 N ATOM 0 H HIS A 35 -3.007 -2.378 4.505 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.393 -3.236 5.367 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.862 -1.928 7.242 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.531 -1.078 5.863 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -2.925 -3.614 8.331 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.915 0.027 6.558 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.200 -2.943 9.259 1.00 0.00 H new ATOM 521 N PRO A 36 -0.742 -5.008 7.098 1.00 0.00 N ATOM 522 CA PRO A 36 -0.805 -6.236 7.861 1.00 0.00 C ATOM 523 C PRO A 36 -1.642 -6.017 9.113 1.00 0.00 C ATOM 524 O PRO A 36 -1.294 -5.154 9.917 1.00 0.00 O ATOM 525 CB PRO A 36 0.646 -6.548 8.222 1.00 0.00 C ATOM 526 CG PRO A 36 1.321 -5.248 8.219 1.00 0.00 C ATOM 527 CD PRO A 36 0.542 -4.358 7.253 1.00 0.00 C ATOM 0 HA PRO A 36 -1.266 -7.055 7.309 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.716 -7.028 9.198 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.096 -7.229 7.499 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.335 -4.816 9.220 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.359 -5.350 7.901 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.428 -3.349 7.650 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.057 -4.268 6.297 1.00 0.00 H new ATOM 535 N VAL A 37 -2.713 -6.785 9.254 1.00 0.00 N ATOM 536 CA VAL A 37 -3.580 -6.655 10.412 1.00 0.00 C ATOM 537 C VAL A 37 -3.512 -7.939 11.241 1.00 0.00 C ATOM 538 O VAL A 37 -3.343 -9.028 10.694 1.00 0.00 O ATOM 539 CB VAL A 37 -5.002 -6.307 9.964 1.00 0.00 C ATOM 540 CG1 VAL A 37 -5.694 -5.407 10.990 1.00 0.00 C ATOM 541 CG2 VAL A 37 -4.997 -5.657 8.579 1.00 0.00 C ATOM 0 H VAL A 37 -3.000 -7.500 8.585 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.245 -5.838 11.051 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.569 -7.235 9.896 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.703 -5.174 10.648 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.746 -5.922 11.949 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.127 -4.483 11.104 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.019 -5.420 8.285 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.406 -4.741 8.609 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.562 -6.346 7.855 1.00 0.00 H new ATOM 551 N ASN A 38 -3.648 -7.769 12.548 1.00 0.00 N ATOM 552 CA ASN A 38 -3.604 -8.901 13.458 1.00 0.00 C ATOM 553 C ASN A 38 -2.518 -9.876 13.000 1.00 0.00 C ATOM 554 O ASN A 38 -2.656 -11.087 13.167 1.00 0.00 O ATOM 555 CB ASN A 38 -4.938 -9.650 13.471 1.00 0.00 C ATOM 556 CG ASN A 38 -5.874 -9.085 14.541 1.00 0.00 C ATOM 557 OD1 ASN A 38 -5.950 -7.757 14.547 1.00 0.00 O flip ATOM 558 ND2 ASN A 38 -6.488 -9.807 15.310 1.00 0.00 N flip ATOM 0 H ASN A 38 -3.789 -6.865 12.998 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.394 -8.522 14.458 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.411 -9.574 12.492 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.763 -10.709 13.659 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.384 -10.820 15.251 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.105 -9.397 16.011 1.00 0.00 H new ATOM 565 N GLY A 39 -1.462 -9.312 12.432 1.00 0.00 N ATOM 566 CA GLY A 39 -0.353 -10.118 11.949 1.00 0.00 C ATOM 567 C GLY A 39 -0.809 -11.070 10.841 1.00 0.00 C ATOM 568 O GLY A 39 -0.669 -12.285 10.966 1.00 0.00 O ATOM 0 H GLY A 39 -1.351 -8.307 12.295 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.437 -9.468 11.573 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.071 -10.691 12.774 1.00 0.00 H new ATOM 572 N LYS A 40 -1.345 -10.481 9.782 1.00 0.00 N ATOM 573 CA LYS A 40 -1.822 -11.261 8.653 1.00 0.00 C ATOM 574 C LYS A 40 -2.341 -10.316 7.568 1.00 0.00 C ATOM 575 O LYS A 40 -3.443 -9.781 7.681 1.00 0.00 O ATOM 576 CB LYS A 40 -2.853 -12.294 9.113 1.00 0.00 C ATOM 577 CG LYS A 40 -3.717 -12.765 7.942 1.00 0.00 C ATOM 578 CD LYS A 40 -4.893 -13.611 8.434 1.00 0.00 C ATOM 579 CE LYS A 40 -4.490 -15.080 8.577 1.00 0.00 C ATOM 580 NZ LYS A 40 -5.155 -15.689 9.751 1.00 0.00 N ATOM 0 H LYS A 40 -1.459 -9.472 9.682 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.005 -11.833 8.213 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.343 -13.148 9.560 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.487 -11.861 9.886 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.091 -11.902 7.391 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.110 -13.348 7.249 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.242 -13.231 9.394 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.725 -13.525 7.735 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.761 -15.627 7.674 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.408 -15.157 8.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.870 -16.686 9.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.876 -15.177 10.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.187 -15.632 9.634 1.00 0.00 H new ATOM 594 N GLU A 41 -1.522 -10.139 6.542 1.00 0.00 N ATOM 595 CA GLU A 41 -1.884 -9.267 5.437 1.00 0.00 C ATOM 596 C GLU A 41 -3.389 -9.343 5.172 1.00 0.00 C ATOM 597 O GLU A 41 -3.931 -10.426 4.960 1.00 0.00 O ATOM 598 CB GLU A 41 -1.087 -9.617 4.179 1.00 0.00 C ATOM 599 CG GLU A 41 0.185 -8.772 4.082 1.00 0.00 C ATOM 600 CD GLU A 41 1.186 -9.398 3.109 1.00 0.00 C ATOM 601 OE1 GLU A 41 1.022 -9.158 1.894 1.00 0.00 O ATOM 602 OE2 GLU A 41 2.093 -10.102 3.603 1.00 0.00 O ATOM 0 H GLU A 41 -0.609 -10.584 6.452 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.635 -8.242 5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.825 -10.675 4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.705 -9.453 3.296 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.068 -7.765 3.751 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.640 -8.679 5.068 1.00 0.00 H new ATOM 609 N ASP A 42 -4.021 -8.179 5.194 1.00 0.00 N ATOM 610 CA ASP A 42 -5.453 -8.100 4.959 1.00 0.00 C ATOM 611 C ASP A 42 -5.707 -7.436 3.604 1.00 0.00 C ATOM 612 O ASP A 42 -5.089 -6.438 3.240 1.00 0.00 O ATOM 613 CB ASP A 42 -6.142 -7.259 6.035 1.00 0.00 C ATOM 614 CG ASP A 42 -6.348 -7.966 7.376 1.00 0.00 C ATOM 615 OD1 ASP A 42 -5.322 -8.332 7.988 1.00 0.00 O ATOM 616 OD2 ASP A 42 -7.528 -8.125 7.758 1.00 0.00 O ATOM 0 H ASP A 42 -3.568 -7.283 5.371 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.855 -9.113 4.981 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.552 -6.358 6.203 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.113 -6.938 5.658 1.00 0.00 H new ATOM 621 N TYR A 43 -6.645 -8.021 2.856 1.00 0.00 N ATOM 622 CA TYR A 43 -7.002 -7.514 1.546 1.00 0.00 C ATOM 623 C TYR A 43 -8.516 -7.416 1.426 1.00 0.00 C ATOM 624 O TYR A 43 -9.025 -7.421 0.306 1.00 0.00 O ATOM 625 CB TYR A 43 -6.433 -8.438 0.473 1.00 0.00 C ATOM 626 CG TYR A 43 -4.978 -8.177 0.163 1.00 0.00 C ATOM 627 CD1 TYR A 43 -4.007 -8.366 1.153 1.00 0.00 C ATOM 628 CD2 TYR A 43 -4.602 -7.747 -1.115 1.00 0.00 C ATOM 629 CE1 TYR A 43 -2.658 -8.124 0.865 1.00 0.00 C ATOM 630 CE2 TYR A 43 -3.253 -7.504 -1.403 1.00 0.00 C ATOM 631 CZ TYR A 43 -2.282 -7.693 -0.413 1.00 0.00 C ATOM 632 OH TYR A 43 -0.968 -7.457 -0.693 1.00 0.00 O ATOM 0 H TYR A 43 -7.168 -8.848 3.144 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.582 -6.518 1.410 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.547 -9.472 0.798 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -7.017 -8.324 -0.440 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.298 -8.698 2.139 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.352 -7.603 -1.879 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.908 -8.270 1.628 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.962 -7.171 -2.388 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.541 -7.030 0.079 1.00 0.00 H new ATOM 642 N ARG A 44 -9.197 -7.328 2.560 1.00 0.00 N ATOM 643 CA ARG A 44 -10.646 -7.230 2.556 1.00 0.00 C ATOM 644 C ARG A 44 -11.079 -5.764 2.627 1.00 0.00 C ATOM 645 O ARG A 44 -10.247 -4.875 2.803 1.00 0.00 O ATOM 646 CB ARG A 44 -11.253 -7.991 3.737 1.00 0.00 C ATOM 647 CG ARG A 44 -10.576 -9.351 3.919 1.00 0.00 C ATOM 648 CD ARG A 44 -11.237 -10.146 5.046 1.00 0.00 C ATOM 649 NE ARG A 44 -10.229 -10.513 6.065 1.00 0.00 N ATOM 650 CZ ARG A 44 -10.524 -10.809 7.349 1.00 0.00 C ATOM 651 NH1 ARG A 44 -11.802 -10.784 7.782 1.00 0.00 N ATOM 652 NH2 ARG A 44 -9.543 -11.124 8.175 1.00 0.00 N ATOM 0 H ARG A 44 -8.771 -7.323 3.487 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.006 -7.675 1.628 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.145 -7.402 4.648 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.321 -8.132 3.573 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -10.632 -9.917 2.989 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -9.519 -9.208 4.142 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.030 -9.554 5.503 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.703 -11.045 4.643 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.250 -10.544 5.780 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -12.554 -10.540 7.138 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.016 -11.009 8.754 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.580 -11.141 7.840 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.749 -11.350 9.148 1.00 0.00 H new ATOM 665 N LYS A 45 -12.380 -5.557 2.486 1.00 0.00 N ATOM 666 CA LYS A 45 -12.933 -4.214 2.532 1.00 0.00 C ATOM 667 C LYS A 45 -12.183 -3.394 3.584 1.00 0.00 C ATOM 668 O LYS A 45 -11.909 -3.883 4.679 1.00 0.00 O ATOM 669 CB LYS A 45 -14.446 -4.265 2.756 1.00 0.00 C ATOM 670 CG LYS A 45 -15.103 -5.288 1.828 1.00 0.00 C ATOM 671 CD LYS A 45 -16.463 -4.789 1.337 1.00 0.00 C ATOM 672 CE LYS A 45 -17.604 -5.556 2.008 1.00 0.00 C ATOM 673 NZ LYS A 45 -17.986 -4.907 3.282 1.00 0.00 N ATOM 0 H LYS A 45 -13.067 -6.297 2.340 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.792 -3.711 1.575 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.655 -4.523 3.794 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.877 -3.279 2.580 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.453 -5.481 0.975 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.227 -6.234 2.354 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.562 -3.724 1.549 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.528 -4.906 0.255 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -18.465 -5.596 1.341 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.298 -6.585 2.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.541 -5.572 3.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.129 -4.631 3.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -18.558 -4.061 3.083 1.00 0.00 H new ATOM 687 N CYS A 46 -11.872 -2.160 3.215 1.00 0.00 N ATOM 688 CA CYS A 46 -11.159 -1.267 4.113 1.00 0.00 C ATOM 689 C CYS A 46 -12.023 -1.047 5.356 1.00 0.00 C ATOM 690 O CYS A 46 -11.523 -1.091 6.479 1.00 0.00 O ATOM 691 CB CYS A 46 -10.796 0.052 3.428 1.00 0.00 C ATOM 692 SG CYS A 46 -9.413 -0.057 2.236 1.00 0.00 S ATOM 0 H CYS A 46 -12.101 -1.757 2.306 1.00 0.00 H new ATOM 0 HA CYS A 46 -10.212 -1.720 4.406 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -11.676 0.429 2.908 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.540 0.784 4.194 1.00 0.00 H new ATOM 697 N GLY A 47 -13.305 -0.813 5.114 1.00 0.00 N ATOM 698 CA GLY A 47 -14.242 -0.586 6.200 1.00 0.00 C ATOM 699 C GLY A 47 -14.571 -1.893 6.924 1.00 0.00 C ATOM 700 O GLY A 47 -13.955 -2.218 7.937 1.00 0.00 O ATOM 0 H GLY A 47 -13.716 -0.776 4.181 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.819 0.128 6.906 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.158 -0.143 5.808 1.00 0.00 H new ATOM 704 N THR A 48 -15.542 -2.608 6.374 1.00 0.00 N ATOM 705 CA THR A 48 -15.960 -3.873 6.954 1.00 0.00 C ATOM 706 C THR A 48 -16.323 -3.689 8.429 1.00 0.00 C ATOM 707 O THR A 48 -16.032 -2.649 9.019 1.00 0.00 O ATOM 708 CB THR A 48 -14.841 -4.891 6.726 1.00 0.00 C ATOM 709 OG1 THR A 48 -13.933 -4.219 5.858 1.00 0.00 O ATOM 710 CG2 THR A 48 -15.307 -6.101 5.915 1.00 0.00 C ATOM 0 H THR A 48 -16.051 -2.335 5.533 1.00 0.00 H new ATOM 0 HA THR A 48 -16.863 -4.249 6.474 1.00 0.00 H new ATOM 0 HB THR A 48 -14.454 -5.227 7.688 1.00 0.00 H new ATOM 0 HG1 THR A 48 -13.105 -4.739 5.785 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.475 -6.792 5.782 1.00 0.00 H new ATOM 0 HG22 THR A 48 -16.116 -6.604 6.445 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.663 -5.770 4.939 1.00 0.00 H new ATOM 718 N ALA A 49 -16.954 -4.714 8.983 1.00 0.00 N ATOM 719 CA ALA A 49 -17.360 -4.678 10.377 1.00 0.00 C ATOM 720 C ALA A 49 -16.221 -5.210 11.249 1.00 0.00 C ATOM 721 O ALA A 49 -15.777 -6.344 11.073 1.00 0.00 O ATOM 722 CB ALA A 49 -18.652 -5.479 10.554 1.00 0.00 C ATOM 0 H ALA A 49 -17.194 -5.575 8.491 1.00 0.00 H new ATOM 0 HA ALA A 49 -17.565 -3.654 10.690 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.956 -5.452 11.600 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.437 -5.044 9.936 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.484 -6.513 10.252 1.00 0.00 H new ATOM 728 N GLY A 50 -15.781 -4.366 12.171 1.00 0.00 N ATOM 729 CA GLY A 50 -14.702 -4.737 13.071 1.00 0.00 C ATOM 730 C GLY A 50 -13.479 -3.841 12.859 1.00 0.00 C ATOM 731 O GLY A 50 -12.662 -3.676 13.764 1.00 0.00 O ATOM 0 H GLY A 50 -16.152 -3.427 12.314 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -15.041 -4.657 14.104 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.427 -5.779 12.905 1.00 0.00 H new ATOM 735 N CYS A 51 -13.392 -3.286 11.659 1.00 0.00 N ATOM 736 CA CYS A 51 -12.284 -2.411 11.318 1.00 0.00 C ATOM 737 C CYS A 51 -12.811 -0.977 11.237 1.00 0.00 C ATOM 738 O CYS A 51 -13.604 -0.549 12.073 1.00 0.00 O ATOM 739 CB CYS A 51 -11.602 -2.843 10.017 1.00 0.00 C ATOM 740 SG CYS A 51 -11.417 -4.663 9.982 1.00 0.00 S ATOM 0 H CYS A 51 -14.071 -3.426 10.911 1.00 0.00 H new ATOM 0 HA CYS A 51 -11.518 -2.472 12.091 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -12.190 -2.513 9.161 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -10.624 -2.368 9.934 1.00 0.00 H new ATOM 745 N HIS A 52 -12.345 -0.262 10.212 1.00 0.00 N ATOM 746 CA HIS A 52 -12.733 1.122 9.971 1.00 0.00 C ATOM 747 C HIS A 52 -14.244 1.197 9.685 1.00 0.00 C ATOM 748 O HIS A 52 -14.649 1.320 8.530 1.00 0.00 O ATOM 749 CB HIS A 52 -11.849 1.700 8.856 1.00 0.00 C ATOM 750 CG HIS A 52 -10.358 1.502 9.000 1.00 0.00 C ATOM 751 ND1 HIS A 52 -9.601 2.281 9.778 1.00 0.00 N ATOM 752 CD2 HIS A 52 -9.507 0.583 8.434 1.00 0.00 C ATOM 753 CE1 HIS A 52 -8.327 1.863 9.701 1.00 0.00 C ATOM 754 NE2 HIS A 52 -8.213 0.817 8.885 1.00 0.00 N ATOM 0 H HIS A 52 -11.686 -0.630 9.526 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.568 1.742 10.853 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -12.161 1.257 7.910 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -12.045 2.770 8.787 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.936 3.065 10.339 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.798 -0.198 7.747 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.503 2.316 10.232 1.00 0.00 H new ATOM 762 N ASP A 53 -15.028 1.121 10.750 1.00 0.00 N ATOM 763 CA ASP A 53 -16.474 1.179 10.622 1.00 0.00 C ATOM 764 C ASP A 53 -16.971 2.542 11.110 1.00 0.00 C ATOM 765 O ASP A 53 -18.126 2.679 11.509 1.00 0.00 O ATOM 766 CB ASP A 53 -17.147 0.099 11.471 1.00 0.00 C ATOM 767 CG ASP A 53 -17.284 0.437 12.957 1.00 0.00 C ATOM 768 OD1 ASP A 53 -16.546 1.341 13.404 1.00 0.00 O ATOM 769 OD2 ASP A 53 -18.125 -0.216 13.612 1.00 0.00 O ATOM 0 H ASP A 53 -14.689 1.020 11.707 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.726 1.021 9.573 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -18.140 -0.095 11.065 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.577 -0.825 11.375 1.00 0.00 H new ATOM 774 N SER A 54 -16.073 3.515 11.062 1.00 0.00 N ATOM 775 CA SER A 54 -16.405 4.861 11.494 1.00 0.00 C ATOM 776 C SER A 54 -16.446 5.803 10.289 1.00 0.00 C ATOM 777 O SER A 54 -15.453 5.948 9.576 1.00 0.00 O ATOM 778 CB SER A 54 -15.402 5.370 12.531 1.00 0.00 C ATOM 779 OG SER A 54 -15.594 6.751 12.828 1.00 0.00 O ATOM 0 H SER A 54 -15.116 3.397 10.730 1.00 0.00 H new ATOM 0 HA SER A 54 -17.389 4.836 11.961 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.499 4.786 13.446 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.388 5.217 12.161 1.00 0.00 H new ATOM 0 HG SER A 54 -14.935 7.037 13.495 1.00 0.00 H new ATOM 785 N MET A 55 -17.603 6.418 10.097 1.00 0.00 N ATOM 786 CA MET A 55 -17.786 7.342 8.991 1.00 0.00 C ATOM 787 C MET A 55 -18.329 8.685 9.481 1.00 0.00 C ATOM 788 O MET A 55 -19.379 9.138 9.028 1.00 0.00 O ATOM 789 CB MET A 55 -18.759 6.737 7.977 1.00 0.00 C ATOM 790 CG MET A 55 -18.386 5.289 7.654 1.00 0.00 C ATOM 791 SD MET A 55 -18.533 4.997 5.899 1.00 0.00 S ATOM 792 CE MET A 55 -18.169 3.250 5.844 1.00 0.00 C ATOM 0 H MET A 55 -18.424 6.294 10.689 1.00 0.00 H new ATOM 0 HA MET A 55 -16.817 7.514 8.522 1.00 0.00 H new ATOM 0 HB2 MET A 55 -19.773 6.775 8.374 1.00 0.00 H new ATOM 0 HB3 MET A 55 -18.752 7.330 7.063 1.00 0.00 H new ATOM 0 HG2 MET A 55 -17.366 5.086 7.980 1.00 0.00 H new ATOM 0 HG3 MET A 55 -19.037 4.607 8.200 1.00 0.00 H new ATOM 0 HE1 MET A 55 -17.990 2.948 4.812 1.00 0.00 H new ATOM 0 HE2 MET A 55 -17.281 3.044 6.442 1.00 0.00 H new ATOM 0 HE3 MET A 55 -19.014 2.690 6.245 1.00 0.00 H new ATOM 802 N ASP A 56 -17.589 9.285 10.402 1.00 0.00 N ATOM 803 CA ASP A 56 -17.983 10.568 10.959 1.00 0.00 C ATOM 804 C ASP A 56 -17.056 11.660 10.422 1.00 0.00 C ATOM 805 O ASP A 56 -16.075 11.366 9.741 1.00 0.00 O ATOM 806 CB ASP A 56 -17.872 10.563 12.485 1.00 0.00 C ATOM 807 CG ASP A 56 -18.513 11.764 13.184 1.00 0.00 C ATOM 808 OD1 ASP A 56 -17.819 12.799 13.283 1.00 0.00 O ATOM 809 OD2 ASP A 56 -19.681 11.620 13.604 1.00 0.00 O ATOM 0 H ASP A 56 -16.719 8.906 10.776 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.018 10.756 10.672 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.334 9.652 12.865 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -16.817 10.523 12.757 1.00 0.00 H new ATOM 814 N LYS A 57 -17.399 12.897 10.748 1.00 0.00 N ATOM 815 CA LYS A 57 -16.610 14.034 10.306 1.00 0.00 C ATOM 816 C LYS A 57 -16.013 14.739 11.525 1.00 0.00 C ATOM 817 O LYS A 57 -16.563 15.729 12.006 1.00 0.00 O ATOM 818 CB LYS A 57 -17.446 14.952 9.412 1.00 0.00 C ATOM 819 CG LYS A 57 -16.555 15.934 8.648 1.00 0.00 C ATOM 820 CD LYS A 57 -17.357 17.148 8.175 1.00 0.00 C ATOM 821 CE LYS A 57 -16.496 18.412 8.187 1.00 0.00 C ATOM 822 NZ LYS A 57 -16.198 18.850 6.805 1.00 0.00 N ATOM 0 H LYS A 57 -18.213 13.137 11.313 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.775 13.702 9.689 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -18.021 14.353 8.706 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -18.163 15.504 10.020 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.736 16.262 9.289 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.107 15.433 7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.733 16.970 7.168 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -18.225 17.289 8.819 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.014 19.207 8.723 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.566 18.221 8.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.613 19.709 6.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.684 18.096 6.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.087 19.052 6.306 1.00 0.00 H new ATOM 836 N LYS A 58 -14.894 14.203 11.990 1.00 0.00 N ATOM 837 CA LYS A 58 -14.216 14.769 13.144 1.00 0.00 C ATOM 838 C LYS A 58 -13.188 13.764 13.669 1.00 0.00 C ATOM 839 O LYS A 58 -11.987 13.938 13.469 1.00 0.00 O ATOM 840 CB LYS A 58 -15.232 15.216 14.196 1.00 0.00 C ATOM 841 CG LYS A 58 -15.349 16.741 14.232 1.00 0.00 C ATOM 842 CD LYS A 58 -16.607 17.177 14.986 1.00 0.00 C ATOM 843 CE LYS A 58 -16.301 18.335 15.939 1.00 0.00 C ATOM 844 NZ LYS A 58 -17.554 18.892 16.497 1.00 0.00 N ATOM 0 H LYS A 58 -14.440 13.383 11.588 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.668 15.668 12.862 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -16.206 14.778 13.976 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.931 14.847 15.177 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.467 17.166 14.712 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.377 17.131 13.215 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -17.375 17.480 14.275 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -17.008 16.334 15.549 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.658 17.988 16.748 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.754 19.115 15.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.328 19.677 17.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -18.154 19.242 15.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -18.061 18.150 17.020 1.00 0.00 H new ATOM 858 N ASP A 59 -13.698 12.736 14.331 1.00 0.00 N ATOM 859 CA ASP A 59 -12.840 11.704 14.887 1.00 0.00 C ATOM 860 C ASP A 59 -11.709 11.402 13.901 1.00 0.00 C ATOM 861 O ASP A 59 -11.959 11.138 12.726 1.00 0.00 O ATOM 862 CB ASP A 59 -13.618 10.409 15.125 1.00 0.00 C ATOM 863 CG ASP A 59 -12.762 9.143 15.196 1.00 0.00 C ATOM 864 OD1 ASP A 59 -12.241 8.872 16.300 1.00 0.00 O ATOM 865 OD2 ASP A 59 -12.647 8.475 14.146 1.00 0.00 O ATOM 0 H ASP A 59 -14.695 12.596 14.495 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.447 12.068 15.837 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.176 10.504 16.056 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.349 10.290 14.326 1.00 0.00 H new ATOM 870 N LYS A 60 -10.489 11.450 14.417 1.00 0.00 N ATOM 871 CA LYS A 60 -9.319 11.185 13.596 1.00 0.00 C ATOM 872 C LYS A 60 -8.659 9.886 14.062 1.00 0.00 C ATOM 873 O LYS A 60 -7.470 9.672 13.832 1.00 0.00 O ATOM 874 CB LYS A 60 -8.377 12.390 13.602 1.00 0.00 C ATOM 875 CG LYS A 60 -9.163 13.702 13.552 1.00 0.00 C ATOM 876 CD LYS A 60 -8.231 14.892 13.316 1.00 0.00 C ATOM 877 CE LYS A 60 -8.073 15.726 14.589 1.00 0.00 C ATOM 878 NZ LYS A 60 -7.214 15.022 15.567 1.00 0.00 N ATOM 0 H LYS A 60 -10.286 11.668 15.392 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.608 11.041 12.555 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.758 12.367 14.499 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.703 12.333 12.747 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.906 13.654 12.756 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.706 13.841 14.487 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.255 14.535 12.988 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.628 15.516 12.515 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.637 16.695 14.344 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.052 15.919 15.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.117 15.602 16.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.645 14.108 15.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.275 14.860 15.151 1.00 0.00 H new ATOM 892 N SER A 61 -9.460 9.052 14.709 1.00 0.00 N ATOM 893 CA SER A 61 -8.968 7.780 15.210 1.00 0.00 C ATOM 894 C SER A 61 -8.745 6.810 14.048 1.00 0.00 C ATOM 895 O SER A 61 -9.313 6.986 12.971 1.00 0.00 O ATOM 896 CB SER A 61 -9.939 7.175 16.226 1.00 0.00 C ATOM 897 OG SER A 61 -9.950 7.903 17.452 1.00 0.00 O ATOM 0 H SER A 61 -10.446 9.232 14.898 1.00 0.00 H new ATOM 0 HA SER A 61 -8.018 7.957 15.715 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.944 7.161 15.804 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.661 6.139 16.422 1.00 0.00 H new ATOM 0 HG SER A 61 -10.737 8.486 17.479 1.00 0.00 H new ATOM 903 N ALA A 62 -7.917 5.808 14.305 1.00 0.00 N ATOM 904 CA ALA A 62 -7.612 4.811 13.293 1.00 0.00 C ATOM 905 C ALA A 62 -8.918 4.236 12.740 1.00 0.00 C ATOM 906 O ALA A 62 -8.992 3.872 11.568 1.00 0.00 O ATOM 907 CB ALA A 62 -6.709 3.733 13.895 1.00 0.00 C ATOM 0 H ALA A 62 -7.448 5.665 15.199 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.072 5.261 12.460 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.480 2.985 13.136 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.783 4.189 14.247 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.219 3.256 14.732 1.00 0.00 H new ATOM 913 N LYS A 63 -9.915 4.174 13.610 1.00 0.00 N ATOM 914 CA LYS A 63 -11.214 3.649 13.223 1.00 0.00 C ATOM 915 C LYS A 63 -11.809 4.531 12.124 1.00 0.00 C ATOM 916 O LYS A 63 -12.619 4.069 11.323 1.00 0.00 O ATOM 917 CB LYS A 63 -12.118 3.500 14.449 1.00 0.00 C ATOM 918 CG LYS A 63 -11.941 2.124 15.096 1.00 0.00 C ATOM 919 CD LYS A 63 -12.945 1.119 14.529 1.00 0.00 C ATOM 920 CE LYS A 63 -13.762 0.469 15.648 1.00 0.00 C ATOM 921 NZ LYS A 63 -15.049 1.178 15.829 1.00 0.00 N ATOM 0 H LYS A 63 -9.850 4.478 14.581 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.111 2.647 12.807 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.885 4.280 15.174 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.159 3.637 14.157 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.926 1.766 14.925 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.073 2.206 16.175 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.614 1.622 13.831 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.416 0.350 13.966 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.947 -0.578 15.410 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.195 0.489 16.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.627 0.675 16.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.868 2.147 16.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.558 1.211 14.923 1.00 0.00 H new ATOM 935 N GLY A 64 -11.383 5.786 12.122 1.00 0.00 N ATOM 936 CA GLY A 64 -11.864 6.738 11.134 1.00 0.00 C ATOM 937 C GLY A 64 -11.638 6.215 9.714 1.00 0.00 C ATOM 938 O GLY A 64 -10.514 5.996 9.269 1.00 0.00 O ATOM 0 H GLY A 64 -10.710 6.166 12.788 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.926 6.926 11.292 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.350 7.691 11.261 1.00 0.00 H new ATOM 942 N TYR A 65 -12.750 6.016 9.003 1.00 0.00 N ATOM 943 CA TYR A 65 -12.707 5.522 7.641 1.00 0.00 C ATOM 944 C TYR A 65 -12.049 6.555 6.738 1.00 0.00 C ATOM 945 O TYR A 65 -11.129 6.234 5.989 1.00 0.00 O ATOM 946 CB TYR A 65 -14.125 5.214 7.168 1.00 0.00 C ATOM 947 CG TYR A 65 -14.173 4.384 5.908 1.00 0.00 C ATOM 948 CD1 TYR A 65 -13.151 3.467 5.635 1.00 0.00 C ATOM 949 CD2 TYR A 65 -15.239 4.532 5.013 1.00 0.00 C ATOM 950 CE1 TYR A 65 -13.196 2.697 4.466 1.00 0.00 C ATOM 951 CE2 TYR A 65 -15.284 3.762 3.844 1.00 0.00 C ATOM 952 CZ TYR A 65 -14.263 2.844 3.571 1.00 0.00 C ATOM 953 OH TYR A 65 -14.306 2.094 2.433 1.00 0.00 O ATOM 0 H TYR A 65 -13.690 6.193 9.357 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.118 4.606 7.600 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -14.658 4.688 7.960 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.654 6.152 6.996 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.328 3.353 6.325 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -16.027 5.240 5.224 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -12.408 1.990 4.255 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.106 3.876 3.153 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.647 2.640 1.694 1.00 0.00 H new ATOM 963 N TYR A 66 -12.524 7.801 6.810 1.00 0.00 N ATOM 964 CA TYR A 66 -11.981 8.872 5.999 1.00 0.00 C ATOM 965 C TYR A 66 -10.666 9.355 6.594 1.00 0.00 C ATOM 966 O TYR A 66 -10.059 10.267 6.034 1.00 0.00 O ATOM 967 CB TYR A 66 -12.992 10.013 5.923 1.00 0.00 C ATOM 968 CG TYR A 66 -12.392 11.320 5.464 1.00 0.00 C ATOM 969 CD1 TYR A 66 -11.733 12.149 6.380 1.00 0.00 C ATOM 970 CD2 TYR A 66 -12.495 11.704 4.121 1.00 0.00 C ATOM 971 CE1 TYR A 66 -11.178 13.361 5.954 1.00 0.00 C ATOM 972 CE2 TYR A 66 -11.939 12.916 3.695 1.00 0.00 C ATOM 973 CZ TYR A 66 -11.281 13.745 4.612 1.00 0.00 C ATOM 974 OH TYR A 66 -10.740 14.926 4.197 1.00 0.00 O ATOM 0 H TYR A 66 -13.286 8.085 7.426 1.00 0.00 H new ATOM 0 HA TYR A 66 -11.787 8.507 4.990 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -13.795 9.732 5.241 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -13.443 10.154 6.905 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -11.653 11.853 7.416 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -13.003 11.065 3.414 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.670 14.000 6.661 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -12.017 13.212 2.659 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.899 15.039 3.237 1.00 0.00 H new ATOM 984 N HIS A 67 -10.256 8.748 7.698 1.00 0.00 N ATOM 985 CA HIS A 67 -9.014 9.132 8.346 1.00 0.00 C ATOM 986 C HIS A 67 -7.903 8.161 7.943 1.00 0.00 C ATOM 987 O HIS A 67 -6.729 8.406 8.219 1.00 0.00 O ATOM 988 CB HIS A 67 -9.198 9.226 9.862 1.00 0.00 C ATOM 989 CG HIS A 67 -7.914 9.099 10.646 1.00 0.00 C ATOM 990 ND1 HIS A 67 -7.135 10.190 10.990 1.00 0.00 N ATOM 991 CD2 HIS A 67 -7.281 8.000 11.149 1.00 0.00 C ATOM 992 CE1 HIS A 67 -6.084 9.756 11.669 1.00 0.00 C ATOM 993 NE2 HIS A 67 -6.176 8.398 11.766 1.00 0.00 N ATOM 0 H HIS A 67 -10.762 7.993 8.160 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.718 10.127 8.012 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.665 10.181 10.102 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.887 8.444 10.183 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.622 6.979 11.060 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -5.293 10.369 12.075 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.506 7.789 12.236 1.00 0.00 H new ATOM 1001 N VAL A 68 -8.311 7.080 7.295 1.00 0.00 N ATOM 1002 CA VAL A 68 -7.365 6.071 6.851 1.00 0.00 C ATOM 1003 C VAL A 68 -7.245 6.127 5.327 1.00 0.00 C ATOM 1004 O VAL A 68 -6.738 5.194 4.706 1.00 0.00 O ATOM 1005 CB VAL A 68 -7.787 4.694 7.367 1.00 0.00 C ATOM 1006 CG1 VAL A 68 -7.648 4.613 8.889 1.00 0.00 C ATOM 1007 CG2 VAL A 68 -9.214 4.358 6.928 1.00 0.00 C ATOM 0 H VAL A 68 -9.285 6.881 7.067 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.375 6.268 7.263 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.119 3.953 6.929 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.954 3.624 9.230 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.609 4.788 9.169 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.281 5.369 9.353 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.489 3.374 7.308 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.902 5.105 7.324 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.269 4.355 5.839 1.00 0.00 H new ATOM 1017 N MET A 69 -7.719 7.231 4.768 1.00 0.00 N ATOM 1018 CA MET A 69 -7.671 7.420 3.328 1.00 0.00 C ATOM 1019 C MET A 69 -7.613 8.907 2.972 1.00 0.00 C ATOM 1020 O MET A 69 -8.082 9.321 1.914 1.00 0.00 O ATOM 1021 CB MET A 69 -8.911 6.791 2.689 1.00 0.00 C ATOM 1022 CG MET A 69 -9.960 6.449 3.748 1.00 0.00 C ATOM 1023 SD MET A 69 -11.209 5.382 3.049 1.00 0.00 S ATOM 1024 CE MET A 69 -10.617 3.797 3.617 1.00 0.00 C ATOM 0 H MET A 69 -8.138 8.003 5.286 1.00 0.00 H new ATOM 0 HA MET A 69 -6.770 6.938 2.947 1.00 0.00 H new ATOM 0 HB2 MET A 69 -9.337 7.479 1.959 1.00 0.00 H new ATOM 0 HB3 MET A 69 -8.627 5.888 2.148 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.485 5.958 4.597 1.00 0.00 H new ATOM 0 HG3 MET A 69 -10.420 7.363 4.124 1.00 0.00 H new ATOM 0 HE1 MET A 69 -11.019 3.009 2.980 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.528 3.779 3.574 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.942 3.634 4.644 1.00 0.00 H new ATOM 1034 N HIS A 70 -7.026 9.682 3.885 1.00 0.00 N ATOM 1035 CA HIS A 70 -6.877 11.124 3.722 1.00 0.00 C ATOM 1036 C HIS A 70 -5.698 11.625 4.576 1.00 0.00 C ATOM 1037 O HIS A 70 -4.651 11.979 4.037 1.00 0.00 O ATOM 1038 CB HIS A 70 -8.219 11.801 4.037 1.00 0.00 C ATOM 1039 CG HIS A 70 -9.368 11.500 3.103 1.00 0.00 C ATOM 1040 ND1 HIS A 70 -10.122 10.403 3.220 1.00 0.00 N ATOM 1041 CD2 HIS A 70 -9.868 12.195 2.028 1.00 0.00 C ATOM 1042 CE1 HIS A 70 -11.055 10.414 2.255 1.00 0.00 C ATOM 1043 NE2 HIS A 70 -10.943 11.498 1.491 1.00 0.00 N ATOM 0 H HIS A 70 -6.641 9.324 4.759 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.629 11.386 2.694 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.516 11.514 5.045 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.062 12.880 4.046 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -10.007 9.676 3.927 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.485 13.135 1.659 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.799 9.644 2.117 1.00 0.00 H new ATOM 1051 N ASP A 71 -5.910 11.637 5.884 1.00 0.00 N ATOM 1052 CA ASP A 71 -4.880 12.086 6.805 1.00 0.00 C ATOM 1053 C ASP A 71 -3.541 11.459 6.411 1.00 0.00 C ATOM 1054 O ASP A 71 -3.504 10.354 5.872 1.00 0.00 O ATOM 1055 CB ASP A 71 -5.199 11.659 8.239 1.00 0.00 C ATOM 1056 CG ASP A 71 -5.703 12.779 9.151 1.00 0.00 C ATOM 1057 OD1 ASP A 71 -6.857 13.210 8.936 1.00 0.00 O ATOM 1058 OD2 ASP A 71 -4.923 13.180 10.041 1.00 0.00 O ATOM 0 H ASP A 71 -6.780 11.343 6.328 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.834 13.174 6.755 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.951 10.870 8.208 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.301 11.227 8.682 1.00 0.00 H new ATOM 1063 N LYS A 72 -2.474 12.191 6.697 1.00 0.00 N ATOM 1064 CA LYS A 72 -1.137 11.720 6.379 1.00 0.00 C ATOM 1065 C LYS A 72 -0.396 11.389 7.676 1.00 0.00 C ATOM 1066 O LYS A 72 0.628 10.709 7.654 1.00 0.00 O ATOM 1067 CB LYS A 72 -0.407 12.735 5.496 1.00 0.00 C ATOM 1068 CG LYS A 72 -1.374 13.404 4.517 1.00 0.00 C ATOM 1069 CD LYS A 72 -2.203 14.484 5.216 1.00 0.00 C ATOM 1070 CE LYS A 72 -2.364 15.715 4.323 1.00 0.00 C ATOM 1071 NZ LYS A 72 -3.494 15.532 3.386 1.00 0.00 N ATOM 0 H LYS A 72 -2.508 13.107 7.145 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.186 10.801 5.795 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.066 13.493 6.121 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.389 12.236 4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.814 13.847 3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.037 12.654 4.086 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.185 14.085 5.472 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.721 14.769 6.151 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.534 16.598 4.939 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.445 15.888 3.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.506 16.313 2.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.384 14.629 2.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.388 15.525 3.917 1.00 0.00 H new ATOM 1085 N ASN A 73 -0.944 11.885 8.776 1.00 0.00 N ATOM 1086 CA ASN A 73 -0.348 11.651 10.080 1.00 0.00 C ATOM 1087 C ASN A 73 -0.880 10.334 10.650 1.00 0.00 C ATOM 1088 O ASN A 73 -1.283 10.273 11.810 1.00 0.00 O ATOM 1089 CB ASN A 73 -0.709 12.769 11.060 1.00 0.00 C ATOM 1090 CG ASN A 73 0.279 13.932 10.952 1.00 0.00 C ATOM 1091 OD1 ASN A 73 0.642 14.375 9.875 1.00 0.00 O ATOM 1092 ND2 ASN A 73 0.693 14.402 12.126 1.00 0.00 N ATOM 0 H ASN A 73 -1.794 12.448 8.791 1.00 0.00 H new ATOM 0 HA ASN A 73 0.734 11.617 9.954 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.719 13.125 10.856 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.708 12.380 12.078 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.353 15.179 12.160 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.350 13.986 12.992 1.00 0.00 H new ATOM 1099 N THR A 74 -0.863 9.312 9.807 1.00 0.00 N ATOM 1100 CA THR A 74 -1.338 8.000 10.212 1.00 0.00 C ATOM 1101 C THR A 74 -0.191 6.988 10.190 1.00 0.00 C ATOM 1102 O THR A 74 0.870 7.258 9.630 1.00 0.00 O ATOM 1103 CB THR A 74 -2.504 7.617 9.298 1.00 0.00 C ATOM 1104 OG1 THR A 74 -2.017 7.878 7.985 1.00 0.00 O ATOM 1105 CG2 THR A 74 -3.699 8.560 9.447 1.00 0.00 C ATOM 0 H THR A 74 -0.528 9.366 8.845 1.00 0.00 H new ATOM 0 HA THR A 74 -1.701 8.010 11.240 1.00 0.00 H new ATOM 0 HB THR A 74 -2.817 6.597 9.519 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.465 7.126 7.685 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.498 8.243 8.777 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.057 8.534 10.476 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.395 9.576 9.194 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.443 5.843 10.807 1.00 0.00 N ATOM 1114 CA LYS A 75 0.555 4.788 10.866 1.00 0.00 C ATOM 1115 C LYS A 75 0.899 4.338 9.445 1.00 0.00 C ATOM 1116 O LYS A 75 2.063 4.099 9.130 1.00 0.00 O ATOM 1117 CB LYS A 75 0.081 3.652 11.774 1.00 0.00 C ATOM 1118 CG LYS A 75 1.223 2.680 12.078 1.00 0.00 C ATOM 1119 CD LYS A 75 2.063 3.173 13.259 1.00 0.00 C ATOM 1120 CE LYS A 75 3.176 4.110 12.786 1.00 0.00 C ATOM 1121 NZ LYS A 75 4.355 4.003 13.674 1.00 0.00 N ATOM 0 H LYS A 75 -1.324 5.622 11.271 1.00 0.00 H new ATOM 0 HA LYS A 75 1.476 5.159 11.315 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.308 4.064 12.705 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.739 3.117 11.295 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.816 1.694 12.303 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.856 2.570 11.197 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.424 3.693 13.973 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.498 2.321 13.782 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.460 3.861 11.763 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.814 5.138 12.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.101 4.645 13.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.084 4.263 14.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.710 3.025 13.664 1.00 0.00 H new ATOM 1135 N PHE A 76 -0.137 4.234 8.625 1.00 0.00 N ATOM 1136 CA PHE A 76 0.041 3.816 7.244 1.00 0.00 C ATOM 1137 C PHE A 76 -0.233 4.973 6.281 1.00 0.00 C ATOM 1138 O PHE A 76 -0.804 5.989 6.673 1.00 0.00 O ATOM 1139 CB PHE A 76 -0.971 2.699 6.981 1.00 0.00 C ATOM 1140 CG PHE A 76 -0.985 1.607 8.052 1.00 0.00 C ATOM 1141 CD1 PHE A 76 0.187 1.097 8.518 1.00 0.00 C ATOM 1142 CD2 PHE A 76 -2.168 1.145 8.538 1.00 0.00 C ATOM 1143 CE1 PHE A 76 0.174 0.083 9.512 1.00 0.00 C ATOM 1144 CE2 PHE A 76 -2.181 0.131 9.532 1.00 0.00 C ATOM 1145 CZ PHE A 76 -1.009 -0.379 9.998 1.00 0.00 C ATOM 0 H PHE A 76 -1.102 4.432 8.890 1.00 0.00 H new ATOM 0 HA PHE A 76 1.066 3.482 7.086 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.967 3.135 6.908 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.751 2.244 6.015 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.127 1.463 8.132 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.098 1.550 8.168 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.104 -0.322 9.882 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.121 -0.235 9.918 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.018 -1.151 10.754 1.00 0.00 H new ATOM 1155 N LYS A 77 0.189 4.780 5.040 1.00 0.00 N ATOM 1156 CA LYS A 77 -0.004 5.795 4.018 1.00 0.00 C ATOM 1157 C LYS A 77 -1.487 5.867 3.650 1.00 0.00 C ATOM 1158 O LYS A 77 -2.230 4.911 3.863 1.00 0.00 O ATOM 1159 CB LYS A 77 0.914 5.532 2.823 1.00 0.00 C ATOM 1160 CG LYS A 77 2.321 5.147 3.286 1.00 0.00 C ATOM 1161 CD LYS A 77 3.382 5.992 2.578 1.00 0.00 C ATOM 1162 CE LYS A 77 4.677 6.039 3.390 1.00 0.00 C ATOM 1163 NZ LYS A 77 4.873 7.384 3.977 1.00 0.00 N ATOM 0 H LYS A 77 0.664 3.936 4.719 1.00 0.00 H new ATOM 0 HA LYS A 77 0.278 6.777 4.398 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.498 4.733 2.209 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.965 6.422 2.196 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.403 5.283 4.364 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.498 4.091 3.084 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.583 5.577 1.590 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.006 7.004 2.428 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.643 5.291 4.182 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.523 5.788 2.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.757 7.398 4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 4.926 8.091 3.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.074 7.609 4.603 1.00 0.00 H new ATOM 1177 N SER A 78 -1.873 7.011 3.104 1.00 0.00 N ATOM 1178 CA SER A 78 -3.254 7.220 2.704 1.00 0.00 C ATOM 1179 C SER A 78 -3.338 7.399 1.187 1.00 0.00 C ATOM 1180 O SER A 78 -2.472 6.926 0.453 1.00 0.00 O ATOM 1181 CB SER A 78 -3.856 8.434 3.416 1.00 0.00 C ATOM 1182 OG SER A 78 -3.602 9.646 2.711 1.00 0.00 O ATOM 0 H SER A 78 -1.254 7.802 2.929 1.00 0.00 H new ATOM 0 HA SER A 78 -3.830 6.341 2.992 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.932 8.295 3.523 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.443 8.506 4.422 1.00 0.00 H new ATOM 0 HG SER A 78 -3.608 10.398 3.340 1.00 0.00 H new ATOM 1188 N CYS A 79 -4.389 8.084 0.761 1.00 0.00 N ATOM 1189 CA CYS A 79 -4.598 8.332 -0.656 1.00 0.00 C ATOM 1190 C CYS A 79 -4.270 9.799 -0.940 1.00 0.00 C ATOM 1191 O CYS A 79 -3.712 10.122 -1.987 1.00 0.00 O ATOM 1192 CB CYS A 79 -6.019 7.970 -1.090 1.00 0.00 C ATOM 1193 SG CYS A 79 -6.549 6.275 -0.649 1.00 0.00 S ATOM 0 H CYS A 79 -5.106 8.475 1.372 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.937 7.693 -1.241 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.713 8.681 -0.641 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.095 8.090 -2.171 1.00 0.00 H new ATOM 1198 N VAL A 80 -4.631 10.648 0.011 1.00 0.00 N ATOM 1199 CA VAL A 80 -4.383 12.073 -0.124 1.00 0.00 C ATOM 1200 C VAL A 80 -2.990 12.398 0.420 1.00 0.00 C ATOM 1201 O VAL A 80 -2.509 13.521 0.276 1.00 0.00 O ATOM 1202 CB VAL A 80 -5.494 12.866 0.566 1.00 0.00 C ATOM 1203 CG1 VAL A 80 -5.249 14.372 0.446 1.00 0.00 C ATOM 1204 CG2 VAL A 80 -6.867 12.488 0.006 1.00 0.00 C ATOM 0 H VAL A 80 -5.094 10.376 0.878 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.398 12.365 -1.174 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.481 12.608 1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.053 14.912 0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.298 14.624 0.914 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.221 14.653 -0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.639 13.066 0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.896 12.703 -1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.045 11.425 0.167 1.00 0.00 H new ATOM 1214 N GLY A 81 -2.382 11.394 1.035 1.00 0.00 N ATOM 1215 CA GLY A 81 -1.054 11.559 1.602 1.00 0.00 C ATOM 1216 C GLY A 81 0.025 11.359 0.536 1.00 0.00 C ATOM 1217 O GLY A 81 0.681 12.316 0.124 1.00 0.00 O ATOM 0 H GLY A 81 -2.784 10.464 1.153 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.961 12.554 2.037 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.908 10.843 2.411 1.00 0.00 H new ATOM 1221 N CYS A 82 0.176 10.111 0.118 1.00 0.00 N ATOM 1222 CA CYS A 82 1.165 9.774 -0.892 1.00 0.00 C ATOM 1223 C CYS A 82 1.063 10.798 -2.024 1.00 0.00 C ATOM 1224 O CYS A 82 2.071 11.212 -2.593 1.00 0.00 O ATOM 1225 CB CYS A 82 0.989 8.342 -1.400 1.00 0.00 C ATOM 1226 SG CYS A 82 2.257 7.966 -2.665 1.00 0.00 S ATOM 0 H CYS A 82 -0.370 9.321 0.460 1.00 0.00 H new ATOM 0 HA CYS A 82 2.163 9.814 -0.456 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.072 7.640 -0.570 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.007 8.218 -1.824 1.00 0.00 H new ATOM 1231 N HIS A 83 -0.178 11.184 -2.324 1.00 0.00 N ATOM 1232 CA HIS A 83 -0.473 12.153 -3.374 1.00 0.00 C ATOM 1233 C HIS A 83 0.208 13.495 -3.050 1.00 0.00 C ATOM 1234 O HIS A 83 0.688 14.179 -3.953 1.00 0.00 O ATOM 1235 CB HIS A 83 -1.996 12.243 -3.553 1.00 0.00 C ATOM 1236 CG HIS A 83 -2.643 11.184 -4.415 1.00 0.00 C ATOM 1237 ND1 HIS A 83 -3.739 11.420 -5.142 1.00 0.00 N ATOM 1238 CD2 HIS A 83 -2.308 9.871 -4.642 1.00 0.00 C ATOM 1239 CE1 HIS A 83 -4.075 10.297 -5.797 1.00 0.00 C ATOM 1240 NE2 HIS A 83 -3.224 9.309 -5.523 1.00 0.00 N ATOM 0 H HIS A 83 -1.006 10.832 -1.844 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.064 11.839 -4.334 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.457 12.206 -2.566 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.231 13.218 -3.979 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -4.239 12.308 -5.191 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.465 9.357 -4.204 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.924 10.206 -6.459 1.00 0.00 H new ATOM 1248 N VAL A 84 0.227 13.826 -1.768 1.00 0.00 N ATOM 1249 CA VAL A 84 0.839 15.067 -1.324 1.00 0.00 C ATOM 1250 C VAL A 84 2.361 14.945 -1.427 1.00 0.00 C ATOM 1251 O VAL A 84 3.049 15.929 -1.695 1.00 0.00 O ATOM 1252 CB VAL A 84 0.361 15.411 0.089 1.00 0.00 C ATOM 1253 CG1 VAL A 84 1.148 16.591 0.662 1.00 0.00 C ATOM 1254 CG2 VAL A 84 -1.142 15.695 0.105 1.00 0.00 C ATOM 0 H VAL A 84 -0.172 13.256 -1.022 1.00 0.00 H new ATOM 0 HA VAL A 84 0.534 15.894 -1.966 1.00 0.00 H new ATOM 0 HB VAL A 84 0.545 14.545 0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.789 16.815 1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.207 16.336 0.704 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.010 17.464 0.024 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.456 15.937 1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.360 16.537 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.682 14.814 -0.242 1.00 0.00 H new ATOM 1264 N GLU A 85 2.841 13.730 -1.209 1.00 0.00 N ATOM 1265 CA GLU A 85 4.268 13.467 -1.274 1.00 0.00 C ATOM 1266 C GLU A 85 4.705 13.260 -2.726 1.00 0.00 C ATOM 1267 O GLU A 85 5.893 13.115 -3.006 1.00 0.00 O ATOM 1268 CB GLU A 85 4.643 12.260 -0.412 1.00 0.00 C ATOM 1269 CG GLU A 85 5.397 12.697 0.845 1.00 0.00 C ATOM 1270 CD GLU A 85 6.628 13.531 0.485 1.00 0.00 C ATOM 1271 OE1 GLU A 85 6.981 13.533 -0.714 1.00 0.00 O ATOM 1272 OE2 GLU A 85 7.188 14.149 1.417 1.00 0.00 O ATOM 0 H GLU A 85 2.267 12.917 -0.987 1.00 0.00 H new ATOM 0 HA GLU A 85 4.795 14.334 -0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.741 11.717 -0.129 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.261 11.573 -0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.735 13.278 1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.702 11.819 1.414 1.00 0.00 H new ATOM 1279 N VAL A 86 3.719 13.254 -3.611 1.00 0.00 N ATOM 1280 CA VAL A 86 3.986 13.068 -5.028 1.00 0.00 C ATOM 1281 C VAL A 86 4.163 14.435 -5.693 1.00 0.00 C ATOM 1282 O VAL A 86 5.200 14.705 -6.297 1.00 0.00 O ATOM 1283 CB VAL A 86 2.873 12.233 -5.664 1.00 0.00 C ATOM 1284 CG1 VAL A 86 3.041 12.163 -7.183 1.00 0.00 C ATOM 1285 CG2 VAL A 86 2.821 10.832 -5.053 1.00 0.00 C ATOM 0 H VAL A 86 2.734 13.375 -3.375 1.00 0.00 H new ATOM 0 HA VAL A 86 4.913 12.514 -5.173 1.00 0.00 H new ATOM 0 HB VAL A 86 1.923 12.725 -5.454 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.237 11.564 -7.611 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.005 13.169 -7.600 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.001 11.706 -7.422 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.021 10.260 -5.523 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.773 10.328 -5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.631 10.909 -3.982 1.00 0.00 H new ATOM 1295 N ALA A 87 3.135 15.260 -5.559 1.00 0.00 N ATOM 1296 CA ALA A 87 3.164 16.591 -6.140 1.00 0.00 C ATOM 1297 C ALA A 87 4.369 17.357 -5.589 1.00 0.00 C ATOM 1298 O ALA A 87 5.054 16.878 -4.687 1.00 0.00 O ATOM 1299 CB ALA A 87 1.840 17.303 -5.852 1.00 0.00 C ATOM 0 H ALA A 87 2.277 15.032 -5.057 1.00 0.00 H new ATOM 0 HA ALA A 87 3.275 16.535 -7.223 1.00 0.00 H new ATOM 0 HB1 ALA A 87 1.862 18.302 -6.288 1.00 0.00 H new ATOM 0 HB2 ALA A 87 1.019 16.734 -6.288 1.00 0.00 H new ATOM 0 HB3 ALA A 87 1.695 17.381 -4.774 1.00 0.00 H new ATOM 1305 N GLY A 88 4.591 18.534 -6.155 1.00 0.00 N ATOM 1306 CA GLY A 88 5.701 19.371 -5.732 1.00 0.00 C ATOM 1307 C GLY A 88 5.767 20.655 -6.562 1.00 0.00 C ATOM 1308 O GLY A 88 5.839 21.751 -6.009 1.00 0.00 O ATOM 0 H GLY A 88 4.021 18.928 -6.903 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.591 19.621 -4.677 1.00 0.00 H new ATOM 0 HA3 GLY A 88 6.636 18.820 -5.833 1.00 0.00 H new ATOM 1312 N ALA A 89 5.740 20.476 -7.874 1.00 0.00 N ATOM 1313 CA ALA A 89 5.796 21.606 -8.785 1.00 0.00 C ATOM 1314 C ALA A 89 4.494 21.676 -9.586 1.00 0.00 C ATOM 1315 O ALA A 89 4.042 22.760 -9.950 1.00 0.00 O ATOM 1316 CB ALA A 89 7.028 21.478 -9.684 1.00 0.00 C ATOM 0 H ALA A 89 5.680 19.565 -8.328 1.00 0.00 H new ATOM 0 HA ALA A 89 5.893 22.540 -8.231 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.069 22.326 -10.367 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.928 21.463 -9.069 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.966 20.553 -10.257 1.00 0.00 H new ATOM 1322 N ASP A 90 3.929 20.504 -9.837 1.00 0.00 N ATOM 1323 CA ASP A 90 2.688 20.418 -10.588 1.00 0.00 C ATOM 1324 C ASP A 90 1.520 20.814 -9.682 1.00 0.00 C ATOM 1325 O ASP A 90 0.853 19.952 -9.110 1.00 0.00 O ATOM 1326 CB ASP A 90 2.440 18.991 -11.081 1.00 0.00 C ATOM 1327 CG ASP A 90 1.306 18.846 -12.098 1.00 0.00 C ATOM 1328 OD1 ASP A 90 0.219 19.394 -11.817 1.00 0.00 O ATOM 1329 OD2 ASP A 90 1.553 18.190 -13.133 1.00 0.00 O ATOM 0 H ASP A 90 4.308 19.607 -9.534 1.00 0.00 H new ATOM 0 HA ASP A 90 2.766 21.087 -11.445 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.359 18.612 -11.528 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.220 18.359 -10.221 1.00 0.00 H new ATOM 1334 N ALA A 91 1.308 22.118 -9.579 1.00 0.00 N ATOM 1335 CA ALA A 91 0.233 22.638 -8.752 1.00 0.00 C ATOM 1336 C ALA A 91 -1.082 21.962 -9.147 1.00 0.00 C ATOM 1337 O ALA A 91 -1.819 21.481 -8.289 1.00 0.00 O ATOM 1338 CB ALA A 91 0.171 24.160 -8.893 1.00 0.00 C ATOM 0 H ALA A 91 1.863 22.830 -10.055 1.00 0.00 H new ATOM 0 HA ALA A 91 0.416 22.415 -7.701 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -0.636 24.550 -8.272 1.00 0.00 H new ATOM 0 HB2 ALA A 91 1.118 24.594 -8.572 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.014 24.422 -9.935 1.00 0.00 H new ATOM 1344 N ALA A 92 -1.335 21.947 -10.448 1.00 0.00 N ATOM 1345 CA ALA A 92 -2.547 21.338 -10.967 1.00 0.00 C ATOM 1346 C ALA A 92 -2.770 19.989 -10.281 1.00 0.00 C ATOM 1347 O ALA A 92 -3.865 19.709 -9.796 1.00 0.00 O ATOM 1348 CB ALA A 92 -2.442 21.208 -12.488 1.00 0.00 C ATOM 0 H ALA A 92 -0.721 22.347 -11.157 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.413 21.964 -10.752 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.352 20.751 -12.878 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.315 22.196 -12.930 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.585 20.584 -12.742 1.00 0.00 H new ATOM 1354 N LYS A 93 -1.713 19.189 -10.261 1.00 0.00 N ATOM 1355 CA LYS A 93 -1.780 17.877 -9.642 1.00 0.00 C ATOM 1356 C LYS A 93 -2.152 18.032 -8.166 1.00 0.00 C ATOM 1357 O LYS A 93 -2.824 17.173 -7.597 1.00 0.00 O ATOM 1358 CB LYS A 93 -0.475 17.110 -9.870 1.00 0.00 C ATOM 1359 CG LYS A 93 -0.611 16.132 -11.038 1.00 0.00 C ATOM 1360 CD LYS A 93 0.753 15.573 -11.447 1.00 0.00 C ATOM 1361 CE LYS A 93 1.657 15.386 -10.227 1.00 0.00 C ATOM 1362 NZ LYS A 93 0.967 14.588 -9.189 1.00 0.00 N ATOM 0 H LYS A 93 -0.806 19.425 -10.664 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.562 17.276 -10.107 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.334 17.813 -10.072 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.206 16.566 -8.965 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -1.274 15.314 -10.756 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.071 16.637 -11.888 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.621 14.618 -11.956 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.229 16.249 -12.157 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.580 14.888 -10.524 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.936 16.358 -9.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.191 14.973 -8.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.060 14.631 -9.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.284 13.599 -9.243 1.00 0.00 H new ATOM 1376 N LYS A 94 -1.698 19.135 -7.587 1.00 0.00 N ATOM 1377 CA LYS A 94 -1.975 19.414 -6.189 1.00 0.00 C ATOM 1378 C LYS A 94 -3.446 19.807 -6.033 1.00 0.00 C ATOM 1379 O LYS A 94 -3.926 19.997 -4.917 1.00 0.00 O ATOM 1380 CB LYS A 94 -0.998 20.460 -5.648 1.00 0.00 C ATOM 1381 CG LYS A 94 -1.658 21.838 -5.570 1.00 0.00 C ATOM 1382 CD LYS A 94 -2.205 22.107 -4.167 1.00 0.00 C ATOM 1383 CE LYS A 94 -1.884 23.533 -3.717 1.00 0.00 C ATOM 1384 NZ LYS A 94 -2.718 24.509 -4.454 1.00 0.00 N ATOM 0 H LYS A 94 -1.140 19.845 -8.061 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.818 18.521 -5.584 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.652 20.162 -4.658 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.120 20.509 -6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.933 22.608 -5.835 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.468 21.899 -6.297 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.284 21.953 -4.158 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.776 21.394 -3.463 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.060 23.631 -2.646 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.829 23.746 -3.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.488 25.472 -4.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.530 24.426 -5.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.723 24.315 -4.270 1.00 0.00 H new ATOM 1398 N LYS A 95 -4.119 19.918 -7.168 1.00 0.00 N ATOM 1399 CA LYS A 95 -5.525 20.286 -7.172 1.00 0.00 C ATOM 1400 C LYS A 95 -6.331 19.194 -7.878 1.00 0.00 C ATOM 1401 O LYS A 95 -7.553 19.288 -7.981 1.00 0.00 O ATOM 1402 CB LYS A 95 -5.713 21.678 -7.778 1.00 0.00 C ATOM 1403 CG LYS A 95 -5.981 22.718 -6.688 1.00 0.00 C ATOM 1404 CD LYS A 95 -6.062 24.126 -7.281 1.00 0.00 C ATOM 1405 CE LYS A 95 -6.881 25.054 -6.382 1.00 0.00 C ATOM 1406 NZ LYS A 95 -7.306 26.258 -7.130 1.00 0.00 N ATOM 0 H LYS A 95 -3.717 19.760 -8.092 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.904 20.354 -6.152 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.822 21.957 -8.341 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -6.544 21.662 -8.483 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.914 22.481 -6.176 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.188 22.679 -5.941 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.057 24.530 -7.407 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.514 24.082 -8.272 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -7.756 24.525 -6.005 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.288 25.347 -5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.861 26.877 -6.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.467 26.770 -7.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.890 25.974 -7.943 1.00 0.00 H new ATOM 1420 N ASP A 96 -5.614 18.184 -8.348 1.00 0.00 N ATOM 1421 CA ASP A 96 -6.247 17.075 -9.042 1.00 0.00 C ATOM 1422 C ASP A 96 -6.007 15.784 -8.258 1.00 0.00 C ATOM 1423 O ASP A 96 -6.831 14.872 -8.289 1.00 0.00 O ATOM 1424 CB ASP A 96 -5.660 16.894 -10.443 1.00 0.00 C ATOM 1425 CG ASP A 96 -5.419 18.192 -11.216 1.00 0.00 C ATOM 1426 OD1 ASP A 96 -6.356 19.019 -11.241 1.00 0.00 O ATOM 1427 OD2 ASP A 96 -4.304 18.328 -11.764 1.00 0.00 O ATOM 0 H ASP A 96 -4.600 18.110 -8.262 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.312 17.293 -9.123 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.714 16.359 -10.358 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.333 16.263 -11.024 1.00 0.00 H new ATOM 1432 N LEU A 97 -4.874 15.748 -7.572 1.00 0.00 N ATOM 1433 CA LEU A 97 -4.514 14.583 -6.781 1.00 0.00 C ATOM 1434 C LEU A 97 -5.057 14.750 -5.360 1.00 0.00 C ATOM 1435 O LEU A 97 -5.587 13.804 -4.779 1.00 0.00 O ATOM 1436 CB LEU A 97 -3.004 14.342 -6.838 1.00 0.00 C ATOM 1437 CG LEU A 97 -2.416 14.101 -8.230 1.00 0.00 C ATOM 1438 CD1 LEU A 97 -1.298 13.057 -8.179 1.00 0.00 C ATOM 1439 CD2 LEU A 97 -3.510 13.720 -9.229 1.00 0.00 C ATOM 0 H LEU A 97 -4.193 16.507 -7.547 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.972 13.685 -7.195 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.502 15.203 -6.397 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.769 13.481 -6.212 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.972 15.033 -8.579 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.897 12.904 -9.181 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.504 13.407 -7.520 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.696 12.116 -7.800 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.065 13.554 -10.210 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.005 12.808 -8.896 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.241 14.526 -9.293 1.00 0.00 H new ATOM 1451 N THR A 98 -4.906 15.960 -4.842 1.00 0.00 N ATOM 1452 CA THR A 98 -5.375 16.263 -3.500 1.00 0.00 C ATOM 1453 C THR A 98 -6.650 17.106 -3.558 1.00 0.00 C ATOM 1454 O THR A 98 -7.224 17.443 -2.524 1.00 0.00 O ATOM 1455 CB THR A 98 -4.232 16.941 -2.742 1.00 0.00 C ATOM 1456 OG1 THR A 98 -4.018 18.157 -3.452 1.00 0.00 O ATOM 1457 CG2 THR A 98 -2.907 16.188 -2.884 1.00 0.00 C ATOM 0 H THR A 98 -4.466 16.742 -5.327 1.00 0.00 H new ATOM 0 HA THR A 98 -5.648 15.355 -2.962 1.00 0.00 H new ATOM 0 HB THR A 98 -4.493 17.020 -1.687 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.683 18.240 -4.167 1.00 0.00 H new ATOM 0 HG21 THR A 98 -2.130 16.711 -2.327 1.00 0.00 H new ATOM 0 HG22 THR A 98 -3.018 15.178 -2.490 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.628 16.138 -3.937 1.00 0.00 H new ATOM 1465 N GLY A 99 -7.056 17.424 -4.779 1.00 0.00 N ATOM 1466 CA GLY A 99 -8.252 18.222 -4.985 1.00 0.00 C ATOM 1467 C GLY A 99 -9.427 17.669 -4.176 1.00 0.00 C ATOM 1468 O GLY A 99 -9.446 16.488 -3.831 1.00 0.00 O ATOM 0 H GLY A 99 -6.578 17.143 -5.635 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.059 19.254 -4.693 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.508 18.233 -6.044 1.00 0.00 H new ATOM 1472 N CYS A 100 -10.378 18.548 -3.897 1.00 0.00 N ATOM 1473 CA CYS A 100 -11.554 18.162 -3.135 1.00 0.00 C ATOM 1474 C CYS A 100 -12.727 18.009 -4.105 1.00 0.00 C ATOM 1475 O CYS A 100 -13.505 17.062 -4.000 1.00 0.00 O ATOM 1476 CB CYS A 100 -11.861 19.166 -2.022 1.00 0.00 C ATOM 1477 SG CYS A 100 -10.818 18.997 -0.527 1.00 0.00 S ATOM 0 H CYS A 100 -10.358 19.526 -4.185 1.00 0.00 H new ATOM 0 HA CYS A 100 -11.371 17.210 -2.636 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -11.742 20.174 -2.419 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -12.906 19.058 -1.733 1.00 0.00 H new ATOM 1482 N LYS A 101 -12.817 18.956 -5.028 1.00 0.00 N ATOM 1483 CA LYS A 101 -13.882 18.939 -6.016 1.00 0.00 C ATOM 1484 C LYS A 101 -13.274 19.039 -7.417 1.00 0.00 C ATOM 1485 O LYS A 101 -12.452 19.915 -7.679 1.00 0.00 O ATOM 1486 CB LYS A 101 -14.912 20.029 -5.713 1.00 0.00 C ATOM 1487 CG LYS A 101 -15.721 20.381 -6.963 1.00 0.00 C ATOM 1488 CD LYS A 101 -16.471 19.158 -7.493 1.00 0.00 C ATOM 1489 CE LYS A 101 -17.882 19.083 -6.906 1.00 0.00 C ATOM 1490 NZ LYS A 101 -18.480 17.753 -7.161 1.00 0.00 N ATOM 0 H LYS A 101 -12.170 19.740 -5.112 1.00 0.00 H new ATOM 0 HA LYS A 101 -14.428 17.996 -5.971 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -15.584 19.691 -4.924 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -14.406 20.919 -5.340 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -16.431 21.174 -6.729 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -15.055 20.766 -7.735 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -16.528 19.205 -8.581 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -15.920 18.252 -7.241 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -17.846 19.273 -5.833 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -18.507 19.860 -7.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -19.437 17.719 -6.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -18.532 17.586 -8.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -17.892 17.017 -6.720 1.00 0.00 H new ATOM 1504 N LYS A 102 -13.702 18.129 -8.279 1.00 0.00 N ATOM 1505 CA LYS A 102 -13.210 18.104 -9.646 1.00 0.00 C ATOM 1506 C LYS A 102 -11.974 17.206 -9.722 1.00 0.00 C ATOM 1507 O LYS A 102 -11.403 17.018 -10.796 1.00 0.00 O ATOM 1508 CB LYS A 102 -12.969 19.526 -10.155 1.00 0.00 C ATOM 1509 CG LYS A 102 -13.152 19.604 -11.672 1.00 0.00 C ATOM 1510 CD LYS A 102 -13.523 21.023 -12.108 1.00 0.00 C ATOM 1511 CE LYS A 102 -12.506 22.040 -11.588 1.00 0.00 C ATOM 1512 NZ LYS A 102 -12.440 23.214 -12.487 1.00 0.00 N ATOM 0 H LYS A 102 -14.384 17.404 -8.058 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.958 17.675 -10.312 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -13.660 20.213 -9.666 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.961 19.845 -9.890 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.232 19.296 -12.169 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -13.931 18.909 -11.984 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -13.569 21.073 -13.196 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -14.516 21.274 -11.736 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.783 22.359 -10.583 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -11.523 21.575 -11.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.745 23.894 -12.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -12.154 22.907 -13.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.375 23.667 -12.536 1.00 0.00 H new ATOM 1526 N SER A 103 -11.596 16.674 -8.569 1.00 0.00 N ATOM 1527 CA SER A 103 -10.438 15.800 -8.491 1.00 0.00 C ATOM 1528 C SER A 103 -10.787 14.418 -9.047 1.00 0.00 C ATOM 1529 O SER A 103 -11.959 14.049 -9.112 1.00 0.00 O ATOM 1530 CB SER A 103 -9.932 15.682 -7.052 1.00 0.00 C ATOM 1531 OG SER A 103 -8.822 14.795 -6.948 1.00 0.00 O ATOM 0 H SER A 103 -12.072 16.832 -7.681 1.00 0.00 H new ATOM 0 HA SER A 103 -9.640 16.235 -9.093 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.644 16.668 -6.687 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.740 15.329 -6.411 1.00 0.00 H new ATOM 0 HG SER A 103 -8.268 14.869 -7.753 1.00 0.00 H new ATOM 1537 N LYS A 104 -9.749 13.690 -9.432 1.00 0.00 N ATOM 1538 CA LYS A 104 -9.931 12.357 -9.980 1.00 0.00 C ATOM 1539 C LYS A 104 -10.739 11.511 -8.993 1.00 0.00 C ATOM 1540 O LYS A 104 -11.560 10.691 -9.400 1.00 0.00 O ATOM 1541 CB LYS A 104 -8.581 11.742 -10.355 1.00 0.00 C ATOM 1542 CG LYS A 104 -8.273 11.959 -11.838 1.00 0.00 C ATOM 1543 CD LYS A 104 -7.782 13.385 -12.093 1.00 0.00 C ATOM 1544 CE LYS A 104 -6.393 13.380 -12.736 1.00 0.00 C ATOM 1545 NZ LYS A 104 -6.321 14.383 -13.821 1.00 0.00 N ATOM 0 H LYS A 104 -8.778 13.999 -9.375 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.503 12.401 -10.907 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.793 12.187 -9.747 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.590 10.675 -10.134 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -7.516 11.246 -12.164 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.167 11.767 -12.431 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -8.486 13.905 -12.743 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.750 13.936 -11.153 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.636 13.596 -11.982 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -6.173 12.389 -13.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.372 14.367 -14.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.030 14.160 -14.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.510 15.329 -13.432 1.00 0.00 H new ATOM 1559 N CYS A 105 -10.477 11.740 -7.714 1.00 0.00 N ATOM 1560 CA CYS A 105 -11.170 11.010 -6.667 1.00 0.00 C ATOM 1561 C CYS A 105 -12.592 11.563 -6.554 1.00 0.00 C ATOM 1562 O CYS A 105 -13.566 10.843 -6.758 1.00 0.00 O ATOM 1563 CB CYS A 105 -10.421 11.085 -5.335 1.00 0.00 C ATOM 1564 SG CYS A 105 -8.677 10.583 -5.568 1.00 0.00 S ATOM 0 H CYS A 105 -9.795 12.421 -7.380 1.00 0.00 H new ATOM 0 HA CYS A 105 -11.213 9.952 -6.926 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -10.466 12.100 -4.940 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -10.900 10.436 -4.602 1.00 0.00 H new ATOM 1569 N HIS A 106 -12.670 12.854 -6.226 1.00 0.00 N ATOM 1570 CA HIS A 106 -13.939 13.556 -6.072 1.00 0.00 C ATOM 1571 C HIS A 106 -14.192 14.448 -7.301 1.00 0.00 C ATOM 1572 O HIS A 106 -14.237 15.671 -7.179 1.00 0.00 O ATOM 1573 CB HIS A 106 -13.930 14.311 -4.734 1.00 0.00 C ATOM 1574 CG HIS A 106 -13.769 13.477 -3.484 1.00 0.00 C ATOM 1575 ND1 HIS A 106 -14.682 12.583 -3.093 1.00 0.00 N ATOM 1576 CD2 HIS A 106 -12.765 13.433 -2.547 1.00 0.00 C ATOM 1577 CE1 HIS A 106 -14.264 12.005 -1.957 1.00 0.00 C ATOM 1578 NE2 HIS A 106 -13.085 12.493 -1.575 1.00 0.00 N ATOM 0 H HIS A 106 -11.852 13.440 -6.060 1.00 0.00 H new ATOM 0 HA HIS A 106 -14.778 12.861 -6.033 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -13.122 15.042 -4.761 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -14.862 14.870 -4.652 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -15.554 12.374 -3.579 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -11.868 14.034 -2.563 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.812 11.243 -1.422 1.00 0.00 H new ATOM 1586 N GLU A 107 -14.352 13.801 -8.447 1.00 0.00 N ATOM 1587 CA GLU A 107 -14.599 14.522 -9.684 1.00 0.00 C ATOM 1588 C GLU A 107 -16.103 14.651 -9.932 1.00 0.00 C ATOM 1589 O GLU A 107 -16.896 13.900 -9.366 1.00 0.00 O ATOM 1590 CB GLU A 107 -13.906 13.838 -10.865 1.00 0.00 C ATOM 1591 CG GLU A 107 -13.016 14.824 -11.624 1.00 0.00 C ATOM 1592 CD GLU A 107 -13.057 14.552 -13.130 1.00 0.00 C ATOM 1593 OE1 GLU A 107 -12.961 13.360 -13.494 1.00 0.00 O ATOM 1594 OE2 GLU A 107 -13.184 15.542 -13.882 1.00 0.00 O ATOM 0 H GLU A 107 -14.315 12.786 -8.544 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.179 15.523 -9.588 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -13.305 13.003 -10.505 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -14.655 13.424 -11.540 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -13.346 15.844 -11.426 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.990 14.745 -11.264 1.00 0.00 H new TER 1601 GLU A 107 HETATM 1602 FE HEC A 108 -5.314 -3.957 -3.833 1.00 0.00 FE HETATM 1603 CHA HEC A 108 -8.769 -4.554 -3.584 1.00 0.00 C HETATM 1604 CHB HEC A 108 -4.828 -7.294 -4.410 1.00 0.00 C HETATM 1605 CHC HEC A 108 -2.026 -3.312 -4.283 1.00 0.00 C HETATM 1606 CHD HEC A 108 -5.953 -0.609 -3.103 1.00 0.00 C HETATM 1607 NA HEC A 108 -6.560 -5.572 -3.996 1.00 0.00 N HETATM 1608 C1A HEC A 108 -7.930 -5.640 -3.809 1.00 0.00 C HETATM 1609 C2A HEC A 108 -8.377 -7.011 -3.879 1.00 0.00 C HETATM 1610 C3A HEC A 108 -7.287 -7.773 -4.108 1.00 0.00 C HETATM 1611 C4A HEC A 108 -6.154 -6.881 -4.182 1.00 0.00 C HETATM 1612 CMA HEC A 108 -7.218 -9.264 -4.263 1.00 0.00 C HETATM 1613 CAA HEC A 108 -9.801 -7.458 -3.721 1.00 0.00 C HETATM 1614 CBA HEC A 108 -10.354 -8.208 -4.930 1.00 0.00 C HETATM 1615 CGA HEC A 108 -10.220 -9.713 -4.750 1.00 0.00 C HETATM 1616 O1A HEC A 108 -10.607 -10.191 -3.661 1.00 0.00 O HETATM 1617 O2A HEC A 108 -9.733 -10.358 -5.703 1.00 0.00 O HETATM 1618 NB HEC A 108 -3.768 -5.073 -4.240 1.00 0.00 N HETATM 1619 C1B HEC A 108 -3.736 -6.435 -4.479 1.00 0.00 C HETATM 1620 C2B HEC A 108 -2.395 -6.853 -4.814 1.00 0.00 C HETATM 1621 C3B HEC A 108 -1.616 -5.752 -4.780 1.00 0.00 C HETATM 1622 C4B HEC A 108 -2.466 -4.641 -4.423 1.00 0.00 C HETATM 1623 CMB HEC A 108 -1.989 -8.262 -5.134 1.00 0.00 C HETATM 1624 CAB HEC A 108 -0.143 -5.653 -5.053 1.00 0.00 C HETATM 1625 CBB HEC A 108 0.312 -6.420 -6.292 1.00 0.00 C HETATM 1626 NC HEC A 108 -4.246 -2.269 -3.786 1.00 0.00 N HETATM 1627 C1C HEC A 108 -2.875 -2.191 -3.963 1.00 0.00 C HETATM 1628 C2C HEC A 108 -2.408 -0.854 -3.679 1.00 0.00 C HETATM 1629 C3C HEC A 108 -3.488 -0.122 -3.331 1.00 0.00 C HETATM 1630 C4C HEC A 108 -4.634 -0.998 -3.396 1.00 0.00 C HETATM 1631 CMC HEC A 108 -0.978 -0.407 -3.768 1.00 0.00 C HETATM 1632 CAC HEC A 108 -3.536 1.327 -2.944 1.00 0.00 C HETATM 1633 CBC HEC A 108 -2.376 2.155 -3.490 1.00 0.00 C HETATM 1634 ND HEC A 108 -7.018 -2.806 -3.457 1.00 0.00 N HETATM 1635 C1D HEC A 108 -7.051 -1.463 -3.123 1.00 0.00 C HETATM 1636 C2D HEC A 108 -8.398 -1.061 -2.793 1.00 0.00 C HETATM 1637 C3D HEC A 108 -9.181 -2.153 -2.925 1.00 0.00 C HETATM 1638 C4D HEC A 108 -8.326 -3.241 -3.339 1.00 0.00 C HETATM 1639 CMD HEC A 108 -8.805 0.324 -2.383 1.00 0.00 C HETATM 1640 CAD HEC A 108 -10.661 -2.262 -2.696 1.00 0.00 C HETATM 1641 CBD HEC A 108 -11.085 -2.016 -1.252 1.00 0.00 C HETATM 1642 CGD HEC A 108 -12.251 -1.040 -1.182 1.00 0.00 C HETATM 1643 O1D HEC A 108 -12.122 -0.055 -0.423 1.00 0.00 O HETATM 1644 O2D HEC A 108 -13.249 -1.296 -1.889 1.00 0.00 O HETATM 0 HMD3 HEC A 108 -8.270 0.607 -1.476 1.00 0.00 H new HETATM 0 HMD2 HEC A 108 -8.563 1.026 -3.181 1.00 0.00 H new HETATM 0 HMD1 HEC A 108 -9.878 0.347 -2.193 1.00 0.00 H new HETATM 0 HMC3 HEC A 108 -0.369 -0.996 -3.082 1.00 0.00 H new HETATM 0 HMC2 HEC A 108 -0.616 -0.548 -4.786 1.00 0.00 H new HETATM 0 HMC1 HEC A 108 -0.909 0.647 -3.501 1.00 0.00 H new HETATM 0 HMB3 HEC A 108 -2.206 -8.906 -4.282 1.00 0.00 H new HETATM 0 HMB2 HEC A 108 -2.545 -8.612 -6.004 1.00 0.00 H new HETATM 0 HMB1 HEC A 108 -0.921 -8.293 -5.349 1.00 0.00 H new HETATM 0 HMA3 HEC A 108 -7.585 -9.742 -3.355 1.00 0.00 H new HETATM 0 HMA2 HEC A 108 -7.834 -9.571 -5.108 1.00 0.00 H new HETATM 0 HMA1 HEC A 108 -6.185 -9.564 -4.439 1.00 0.00 H new HETATM 0 HBD2 HEC A 108 -11.369 -2.960 -0.787 1.00 0.00 H new HETATM 0 HBD1 HEC A 108 -10.242 -1.622 -0.684 1.00 0.00 H new HETATM 0 HBC3 HEC A 108 -1.434 1.754 -3.115 1.00 0.00 H new HETATM 0 HBC2 HEC A 108 -2.380 2.113 -4.579 1.00 0.00 H new HETATM 0 HBC1 HEC A 108 -2.484 3.190 -3.166 1.00 0.00 H new HETATM 0 HBB3 HEC A 108 0.078 -7.478 -6.171 1.00 0.00 H new HETATM 0 HBB2 HEC A 108 -0.204 -6.032 -7.170 1.00 0.00 H new HETATM 0 HBB1 HEC A 108 1.388 -6.299 -6.420 1.00 0.00 H new HETATM 0 HBA2 HEC A 108 -11.403 -7.948 -5.075 1.00 0.00 H new HETATM 0 HBA1 HEC A 108 -9.822 -7.897 -5.829 1.00 0.00 H new HETATM 0 HAD2 HEC A 108 -11.172 -1.547 -3.341 1.00 0.00 H new HETATM 0 HAD1 HEC A 108 -10.993 -3.256 -2.997 1.00 0.00 H new HETATM 0 HAA2 HEC A 108 -9.874 -8.100 -2.843 1.00 0.00 H new HETATM 0 HAA1 HEC A 108 -10.426 -6.585 -3.531 1.00 0.00 H new HETATM 0 HHD HEC A 108 -6.127 0.435 -2.842 1.00 0.00 H new HETATM 0 HHC HEC A 108 -0.964 -3.115 -4.427 1.00 0.00 H new HETATM 0 HHB HEC A 108 -4.644 -8.360 -4.542 1.00 0.00 H new HETATM 0 HHA HEC A 108 -9.844 -4.732 -3.598 1.00 0.00 H new HETATM 0 H2D HEC A 108 -14.056 -0.948 -1.455 1.00 0.00 H new HETATM 0 H2A HEC A 108 -9.696 -11.309 -5.469 1.00 0.00 H new HETATM 1677 FE HEC A 109 -6.674 -0.179 8.344 1.00 0.00 FE HETATM 1678 CHA HEC A 109 -4.845 1.441 10.888 1.00 0.00 C HETATM 1679 CHB HEC A 109 -5.754 2.279 6.176 1.00 0.00 C HETATM 1680 CHC HEC A 109 -8.172 -1.939 5.878 1.00 0.00 C HETATM 1681 CHD HEC A 109 -7.599 -2.573 10.716 1.00 0.00 C HETATM 1682 NA HEC A 109 -5.498 1.485 8.509 1.00 0.00 N HETATM 1683 C1A HEC A 109 -4.899 2.032 9.630 1.00 0.00 C HETATM 1684 C2A HEC A 109 -4.328 3.320 9.314 1.00 0.00 C HETATM 1685 C3A HEC A 109 -4.578 3.556 8.008 1.00 0.00 C HETATM 1686 C4A HEC A 109 -5.306 2.416 7.503 1.00 0.00 C HETATM 1687 CMA HEC A 109 -4.193 4.758 7.195 1.00 0.00 C HETATM 1688 CAA HEC A 109 -3.600 4.200 10.288 1.00 0.00 C HETATM 1689 CBA HEC A 109 -4.449 5.334 10.855 1.00 0.00 C HETATM 1690 CGA HEC A 109 -3.739 6.027 12.009 1.00 0.00 C HETATM 1691 O1A HEC A 109 -3.908 7.260 12.120 1.00 0.00 O HETATM 1692 O2A HEC A 109 -3.040 5.310 12.757 1.00 0.00 O HETATM 1693 NB HEC A 109 -6.932 0.128 6.449 1.00 0.00 N HETATM 1694 C1B HEC A 109 -6.440 1.173 5.686 1.00 0.00 C HETATM 1695 C2B HEC A 109 -6.741 0.958 4.290 1.00 0.00 C HETATM 1696 C3B HEC A 109 -7.412 -0.210 4.204 1.00 0.00 C HETATM 1697 C4B HEC A 109 -7.532 -0.730 5.546 1.00 0.00 C HETATM 1698 CMB HEC A 109 -6.359 1.889 3.176 1.00 0.00 C HETATM 1699 CAB HEC A 109 -7.948 -0.879 2.972 1.00 0.00 C HETATM 1700 CBB HEC A 109 -6.874 -1.264 1.957 1.00 0.00 C HETATM 1701 NC HEC A 109 -7.693 -1.898 8.334 1.00 0.00 N HETATM 1702 C1C HEC A 109 -8.387 -2.389 7.243 1.00 0.00 C HETATM 1703 C2C HEC A 109 -9.200 -3.517 7.633 1.00 0.00 C HETATM 1704 C3C HEC A 109 -9.001 -3.711 8.954 1.00 0.00 C HETATM 1705 C4C HEC A 109 -8.064 -2.705 9.394 1.00 0.00 C HETATM 1706 CMC HEC A 109 -10.086 -4.299 6.707 1.00 0.00 C HETATM 1707 CAC HEC A 109 -9.616 -4.759 9.837 1.00 0.00 C HETATM 1708 CBC HEC A 109 -9.353 -6.190 9.377 1.00 0.00 C HETATM 1709 ND HEC A 109 -6.318 -0.488 10.395 1.00 0.00 N HETATM 1710 C1D HEC A 109 -6.757 -1.557 11.157 1.00 0.00 C HETATM 1711 C2D HEC A 109 -6.215 -1.475 12.493 1.00 0.00 C HETATM 1712 C3D HEC A 109 -5.451 -0.364 12.544 1.00 0.00 C HETATM 1713 C4D HEC A 109 -5.512 0.254 11.240 1.00 0.00 C HETATM 1714 CMD HEC A 109 -6.479 -2.466 13.589 1.00 0.00 C HETATM 1715 CAD HEC A 109 -4.669 0.167 13.710 1.00 0.00 C HETATM 1716 CBD HEC A 109 -5.353 1.317 14.443 1.00 0.00 C HETATM 1717 CGD HEC A 109 -5.294 1.118 15.951 1.00 0.00 C HETATM 1718 O1D HEC A 109 -6.109 0.312 16.449 1.00 0.00 O HETATM 1719 O2D HEC A 109 -4.435 1.775 16.577 1.00 0.00 O HETATM 0 HMD3 HEC A 109 -7.549 -2.505 13.795 1.00 0.00 H new HETATM 0 HMD2 HEC A 109 -6.133 -3.452 13.279 1.00 0.00 H new HETATM 0 HMD1 HEC A 109 -5.947 -2.162 14.490 1.00 0.00 H new HETATM 0 HMC3 HEC A 109 -10.835 -3.636 6.274 1.00 0.00 H new HETATM 0 HMC2 HEC A 109 -9.484 -4.736 5.910 1.00 0.00 H new HETATM 0 HMC1 HEC A 109 -10.583 -5.094 7.264 1.00 0.00 H new HETATM 0 HMB3 HEC A 109 -6.815 2.865 3.345 1.00 0.00 H new HETATM 0 HMB2 HEC A 109 -5.275 1.995 3.146 1.00 0.00 H new HETATM 0 HMB1 HEC A 109 -6.710 1.484 2.227 1.00 0.00 H new HETATM 0 HMA3 HEC A 109 -4.644 5.650 7.629 1.00 0.00 H new HETATM 0 HMA2 HEC A 109 -3.108 4.864 7.193 1.00 0.00 H new HETATM 0 HMA1 HEC A 109 -4.547 4.634 6.172 1.00 0.00 H new HETATM 0 HBD2 HEC A 109 -4.872 2.259 14.178 1.00 0.00 H new HETATM 0 HBD1 HEC A 109 -6.392 1.389 14.123 1.00 0.00 H new HETATM 0 HBC3 HEC A 109 -9.762 -6.332 8.377 1.00 0.00 H new HETATM 0 HBC2 HEC A 109 -8.279 -6.375 9.359 1.00 0.00 H new HETATM 0 HBC1 HEC A 109 -9.830 -6.887 10.066 1.00 0.00 H new HETATM 0 HBB3 HEC A 109 -6.343 -0.369 1.632 1.00 0.00 H new HETATM 0 HBB2 HEC A 109 -6.169 -1.956 2.418 1.00 0.00 H new HETATM 0 HBB1 HEC A 109 -7.342 -1.742 1.096 1.00 0.00 H new HETATM 0 HBA2 HEC A 109 -4.665 6.058 10.070 1.00 0.00 H new HETATM 0 HBA1 HEC A 109 -5.406 4.940 11.197 1.00 0.00 H new HETATM 0 HAD2 HEC A 109 -4.491 -0.645 14.415 1.00 0.00 H new HETATM 0 HAD1 HEC A 109 -3.694 0.503 13.358 1.00 0.00 H new HETATM 0 HAA2 HEC A 109 -3.234 3.587 11.112 1.00 0.00 H new HETATM 0 HAA1 HEC A 109 -2.726 4.626 9.794 1.00 0.00 H new HETATM 0 HHD HEC A 109 -7.921 -3.318 11.444 1.00 0.00 H new HETATM 0 HHC HEC A 109 -8.526 -2.573 5.066 1.00 0.00 H new HETATM 0 HHB HEC A 109 -5.549 3.096 5.484 1.00 0.00 H new HETATM 0 HHA HEC A 109 -4.244 1.932 11.654 1.00 0.00 H new HETATM 0 H2D HEC A 109 -4.642 1.755 17.535 1.00 0.00 H new HETATM 0 H2A HEC A 109 -2.634 5.864 13.456 1.00 0.00 H new HETATM 1752 FE HEC A 110 -3.184 7.488 -6.109 1.00 0.00 FE HETATM 1753 CHA HEC A 110 -2.982 8.694 -9.436 1.00 0.00 C HETATM 1754 CHB HEC A 110 -6.657 7.644 -6.417 1.00 0.00 C HETATM 1755 CHC HEC A 110 -3.503 6.037 -3.071 1.00 0.00 C HETATM 1756 CHD HEC A 110 0.215 7.418 -5.989 1.00 0.00 C HETATM 1757 NA HEC A 110 -4.536 8.051 -7.631 1.00 0.00 N HETATM 1758 C1A HEC A 110 -4.254 8.523 -8.902 1.00 0.00 C HETATM 1759 C2A HEC A 110 -5.478 8.817 -9.610 1.00 0.00 C HETATM 1760 C3A HEC A 110 -6.499 8.527 -8.776 1.00 0.00 C HETATM 1761 C4A HEC A 110 -5.918 8.050 -7.543 1.00 0.00 C HETATM 1762 CMA HEC A 110 -7.971 8.659 -9.037 1.00 0.00 C HETATM 1763 CAA HEC A 110 -5.553 9.346 -11.013 1.00 0.00 C HETATM 1764 CBA HEC A 110 -5.745 8.266 -12.074 1.00 0.00 C HETATM 1765 CGA HEC A 110 -4.856 8.522 -13.283 1.00 0.00 C HETATM 1766 O1A HEC A 110 -4.218 7.546 -13.735 1.00 0.00 O HETATM 1767 O2A HEC A 110 -4.830 9.688 -13.732 1.00 0.00 O HETATM 1768 NB HEC A 110 -4.762 7.007 -4.972 1.00 0.00 N HETATM 1769 C1B HEC A 110 -6.109 7.045 -5.288 1.00 0.00 C HETATM 1770 C2B HEC A 110 -6.881 6.370 -4.271 1.00 0.00 C HETATM 1771 C3B HEC A 110 -6.009 5.923 -3.342 1.00 0.00 C HETATM 1772 C4B HEC A 110 -4.689 6.318 -3.774 1.00 0.00 C HETATM 1773 CMB HEC A 110 -8.374 6.217 -4.287 1.00 0.00 C HETATM 1774 CAB HEC A 110 -6.309 5.159 -2.086 1.00 0.00 C HETATM 1775 CBB HEC A 110 -7.344 4.051 -2.265 1.00 0.00 C HETATM 1776 NC HEC A 110 -1.906 6.947 -4.798 1.00 0.00 N HETATM 1777 C1C HEC A 110 -2.187 6.472 -3.529 1.00 0.00 C HETATM 1778 C2C HEC A 110 -0.963 6.220 -2.806 1.00 0.00 C HETATM 1779 C3C HEC A 110 0.058 6.540 -3.629 1.00 0.00 C HETATM 1780 C4C HEC A 110 -0.524 6.993 -4.870 1.00 0.00 C HETATM 1781 CMC HEC A 110 -0.888 5.700 -1.400 1.00 0.00 C HETATM 1782 CAC HEC A 110 1.530 6.457 -3.351 1.00 0.00 C HETATM 1783 CBC HEC A 110 1.912 5.370 -2.350 1.00 0.00 C HETATM 1784 ND HEC A 110 -1.701 7.953 -7.449 1.00 0.00 N HETATM 1785 C1D HEC A 110 -0.346 7.865 -7.181 1.00 0.00 C HETATM 1786 C2D HEC A 110 0.420 8.306 -8.323 1.00 0.00 C HETATM 1787 C3D HEC A 110 -0.463 8.660 -9.281 1.00 0.00 C HETATM 1788 C4D HEC A 110 -1.785 8.442 -8.741 1.00 0.00 C HETATM 1789 CMD HEC A 110 1.919 8.346 -8.389 1.00 0.00 C HETATM 1790 CAD HEC A 110 -0.173 9.186 -10.657 1.00 0.00 C HETATM 1791 CBD HEC A 110 -0.345 10.696 -10.794 1.00 0.00 C HETATM 1792 CGD HEC A 110 -0.009 11.159 -12.204 1.00 0.00 C HETATM 1793 O1D HEC A 110 0.957 10.603 -12.769 1.00 0.00 O HETATM 1794 O2D HEC A 110 -0.725 12.062 -12.690 1.00 0.00 O HETATM 0 HMD3 HEC A 110 2.300 9.006 -7.609 1.00 0.00 H new HETATM 0 HMD2 HEC A 110 2.317 7.342 -8.241 1.00 0.00 H new HETATM 0 HMD1 HEC A 110 2.230 8.719 -9.365 1.00 0.00 H new HETATM 0 HMC3 HEC A 110 -1.394 6.393 -0.728 1.00 0.00 H new HETATM 0 HMC2 HEC A 110 -1.372 4.725 -1.346 1.00 0.00 H new HETATM 0 HMC1 HEC A 110 0.156 5.603 -1.103 1.00 0.00 H new HETATM 0 HMB3 HEC A 110 -8.841 7.202 -4.291 1.00 0.00 H new HETATM 0 HMB2 HEC A 110 -8.674 5.670 -5.181 1.00 0.00 H new HETATM 0 HMB1 HEC A 110 -8.693 5.668 -3.401 1.00 0.00 H new HETATM 0 HMA3 HEC A 110 -8.209 9.699 -9.260 1.00 0.00 H new HETATM 0 HMA2 HEC A 110 -8.248 8.034 -9.886 1.00 0.00 H new HETATM 0 HMA1 HEC A 110 -8.527 8.340 -8.155 1.00 0.00 H new HETATM 0 HBD2 HEC A 110 -1.371 10.972 -10.552 1.00 0.00 H new HETATM 0 HBD1 HEC A 110 0.299 11.205 -10.077 1.00 0.00 H new HETATM 0 HBC3 HEC A 110 1.415 5.561 -1.399 1.00 0.00 H new HETATM 0 HBC2 HEC A 110 1.602 4.398 -2.733 1.00 0.00 H new HETATM 0 HBC1 HEC A 110 2.992 5.374 -2.203 1.00 0.00 H new HETATM 0 HBB3 HEC A 110 -8.283 4.483 -2.610 1.00 0.00 H new HETATM 0 HBB2 HEC A 110 -6.983 3.332 -3.000 1.00 0.00 H new HETATM 0 HBB1 HEC A 110 -7.505 3.546 -1.312 1.00 0.00 H new HETATM 0 HBA2 HEC A 110 -5.514 7.289 -11.649 1.00 0.00 H new HETATM 0 HBA1 HEC A 110 -6.789 8.239 -12.386 1.00 0.00 H new HETATM 0 HAD2 HEC A 110 0.849 8.921 -10.928 1.00 0.00 H new HETATM 0 HAD1 HEC A 110 -0.831 8.690 -11.371 1.00 0.00 H new HETATM 0 HAA2 HEC A 110 -6.377 10.056 -11.079 1.00 0.00 H new HETATM 0 HAA1 HEC A 110 -4.639 9.897 -11.232 1.00 0.00 H new HETATM 0 HHD HEC A 110 1.302 7.396 -5.917 1.00 0.00 H new HETATM 0 HHC HEC A 110 -3.570 5.469 -2.143 1.00 0.00 H new HETATM 0 HHB HEC A 110 -7.734 7.811 -6.430 1.00 0.00 H new HETATM 0 HHA HEC A 110 -2.907 9.048 -10.464 1.00 0.00 H new HETATM 0 H2D HEC A 110 -0.413 12.276 -13.594 1.00 0.00 H new HETATM 0 H2A HEC A 110 -4.226 9.729 -14.502 1.00 0.00 H new HETATM 1827 FE HEC A 111 -12.054 12.038 -0.085 1.00 0.00 FE HETATM 1828 CHA HEC A 111 -14.307 9.713 1.188 1.00 0.00 C HETATM 1829 CHB HEC A 111 -13.687 14.519 1.671 1.00 0.00 C HETATM 1830 CHC HEC A 111 -9.610 14.269 -0.983 1.00 0.00 C HETATM 1831 CHD HEC A 111 -10.566 9.532 -1.925 1.00 0.00 C HETATM 1832 NA HEC A 111 -13.665 12.095 1.164 1.00 0.00 N HETATM 1833 C1A HEC A 111 -14.460 11.040 1.577 1.00 0.00 C HETATM 1834 C2A HEC A 111 -15.486 11.508 2.478 1.00 0.00 C HETATM 1835 C3A HEC A 111 -15.317 12.840 2.614 1.00 0.00 C HETATM 1836 C4A HEC A 111 -14.185 13.210 1.798 1.00 0.00 C HETATM 1837 CMA HEC A 111 -16.127 13.794 3.443 1.00 0.00 C HETATM 1838 CAA HEC A 111 -16.527 10.638 3.121 1.00 0.00 C HETATM 1839 CBA HEC A 111 -16.124 10.095 4.488 1.00 0.00 C HETATM 1840 CGA HEC A 111 -17.344 9.658 5.286 1.00 0.00 C HETATM 1841 O1A HEC A 111 -17.145 9.256 6.453 1.00 0.00 O HETATM 1842 O2A HEC A 111 -18.453 9.736 4.715 1.00 0.00 O HETATM 1843 NB HEC A 111 -11.690 13.971 0.330 1.00 0.00 N HETATM 1844 C1B HEC A 111 -12.539 14.862 0.964 1.00 0.00 C HETATM 1845 C2B HEC A 111 -12.065 16.215 0.791 1.00 0.00 C HETATM 1846 C3B HEC A 111 -10.935 16.149 0.056 1.00 0.00 C HETATM 1847 C4B HEC A 111 -10.698 14.754 -0.234 1.00 0.00 C HETATM 1848 CMB HEC A 111 -12.737 17.437 1.345 1.00 0.00 C HETATM 1849 CAB HEC A 111 -10.060 17.281 -0.398 1.00 0.00 C HETATM 1850 CBB HEC A 111 -8.777 17.438 0.414 1.00 0.00 C HETATM 1851 NC HEC A 111 -10.365 11.889 -1.190 1.00 0.00 N HETATM 1852 C1C HEC A 111 -9.533 12.927 -1.572 1.00 0.00 C HETATM 1853 C2C HEC A 111 -8.625 12.486 -2.605 1.00 0.00 C HETATM 1854 C3C HEC A 111 -8.903 11.189 -2.851 1.00 0.00 C HETATM 1855 C4C HEC A 111 -9.985 10.812 -1.973 1.00 0.00 C HETATM 1856 CMC HEC A 111 -7.582 13.348 -3.256 1.00 0.00 C HETATM 1857 CAC HEC A 111 -8.240 10.273 -3.839 1.00 0.00 C HETATM 1858 CBC HEC A 111 -6.716 10.338 -3.820 1.00 0.00 C HETATM 1859 ND HEC A 111 -12.410 10.047 -0.369 1.00 0.00 N HETATM 1860 C1D HEC A 111 -11.608 9.169 -1.079 1.00 0.00 C HETATM 1861 C2D HEC A 111 -12.006 7.806 -0.819 1.00 0.00 C HETATM 1862 C3D HEC A 111 -13.043 7.852 0.044 1.00 0.00 C HETATM 1863 C4D HEC A 111 -13.298 9.245 0.327 1.00 0.00 C HETATM 1864 CMD HEC A 111 -11.357 6.593 -1.420 1.00 0.00 C HETATM 1865 CAD HEC A 111 -13.814 6.703 0.624 1.00 0.00 C HETATM 1866 CBD HEC A 111 -14.745 6.015 -0.370 1.00 0.00 C HETATM 1867 CGD HEC A 111 -15.734 5.105 0.345 1.00 0.00 C HETATM 1868 O1D HEC A 111 -16.934 5.194 0.005 1.00 0.00 O HETATM 1869 O2D HEC A 111 -15.273 4.339 1.218 1.00 0.00 O HETATM 0 HMD3 HEC A 111 -11.440 6.636 -2.506 1.00 0.00 H new HETATM 0 HMD2 HEC A 111 -10.305 6.566 -1.137 1.00 0.00 H new HETATM 0 HMD1 HEC A 111 -11.854 5.695 -1.054 1.00 0.00 H new HETATM 0 HMC3 HEC A 111 -8.063 14.197 -3.742 1.00 0.00 H new HETATM 0 HMC2 HEC A 111 -6.886 13.710 -2.500 1.00 0.00 H new HETATM 0 HMC1 HEC A 111 -7.039 12.764 -3.999 1.00 0.00 H new HETATM 0 HMB3 HEC A 111 -13.747 17.511 0.942 1.00 0.00 H new HETATM 0 HMB2 HEC A 111 -12.785 17.365 2.432 1.00 0.00 H new HETATM 0 HMB1 HEC A 111 -12.168 18.324 1.065 1.00 0.00 H new HETATM 0 HMA3 HEC A 111 -17.164 13.776 3.109 1.00 0.00 H new HETATM 0 HMA2 HEC A 111 -16.078 13.497 4.491 1.00 0.00 H new HETATM 0 HMA1 HEC A 111 -15.727 14.802 3.332 1.00 0.00 H new HETATM 0 HBD2 HEC A 111 -15.287 6.766 -0.945 1.00 0.00 H new HETATM 0 HBD1 HEC A 111 -14.158 5.433 -1.080 1.00 0.00 H new HETATM 0 HBC3 HEC A 111 -6.392 11.352 -4.054 1.00 0.00 H new HETATM 0 HBC2 HEC A 111 -6.352 10.061 -2.831 1.00 0.00 H new HETATM 0 HBC1 HEC A 111 -6.313 9.648 -4.561 1.00 0.00 H new HETATM 0 HBB3 HEC A 111 -9.028 17.624 1.458 1.00 0.00 H new HETATM 0 HBB2 HEC A 111 -8.186 16.525 0.340 1.00 0.00 H new HETATM 0 HBB1 HEC A 111 -8.200 18.277 0.024 1.00 0.00 H new HETATM 0 HBA2 HEC A 111 -15.447 9.250 4.362 1.00 0.00 H new HETATM 0 HBA1 HEC A 111 -15.579 10.861 5.041 1.00 0.00 H new HETATM 0 HAD2 HEC A 111 -13.111 5.968 1.016 1.00 0.00 H new HETATM 0 HAD1 HEC A 111 -14.402 7.063 1.468 1.00 0.00 H new HETATM 0 HAA2 HEC A 111 -17.449 11.210 3.226 1.00 0.00 H new HETATM 0 HAA1 HEC A 111 -16.745 9.800 2.459 1.00 0.00 H new HETATM 0 HHD HEC A 111 -10.172 8.771 -2.598 1.00 0.00 H new HETATM 0 HHC HEC A 111 -8.763 14.938 -1.137 1.00 0.00 H new HETATM 0 HHB HEC A 111 -14.239 15.321 2.161 1.00 0.00 H new HETATM 0 HHA HEC A 111 -15.019 8.985 1.578 1.00 0.00 H new HETATM 0 H2D HEC A 111 -15.138 4.837 2.051 1.00 0.00 H new HETATM 0 H2A HEC A 111 -19.116 9.218 5.217 1.00 0.00 H new