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 -139:sc= 0.216 USER MOD Set 1.2: A 111 HEC O2D : rot 102:sc= -1.61! USER MOD Set 2.1: A 11 MET CE :methyl -149:sc= -4.66! (180deg=-0.921) USER MOD Set 2.2: A 108 HEC O2D : rot -130:sc= -2.93! USER MOD Set 3.1: A 67 HIS : no HE2:sc= -3.03! C(o=-2!,f=-14!) USER MOD Set 3.2: A 109 HEC O2A : rot -31:sc= 1.06 USER MOD Set 4.1: A 21 ASN : amide:sc= -0.0255 X(o=0.39,f=0.015) USER MOD Set 4.2: A 24 THR OG1 : rot -23:sc= 0.414 USER MOD Single : A 1 ALA N :NH3+ -111:sc= -2.55! (180deg=-6.17!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 164:sc= 0.185 (180deg=-0.265) USER MOD Single : A 14 THR OG1 : rot -150:sc= -1.43 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -7.42! C(o=-7.4!,f=-9.4!) USER MOD Single : A 23 SER OG : rot 180:sc= -0.086 USER MOD Single : A 26 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0381) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.447 X(o=-0.45,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.327) USER MOD Single : A 43 TYR OH : rot -30:sc= -1.94 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 179:sc= -2.08! USER MOD Single : A 54 SER OG : rot 178:sc= -0.571 USER MOD Single : A 55 MET CE :methyl 155:sc= -0.771 (180deg=-2.64!) USER MOD Single : A 57 LYS NZ :NH3+ -161:sc= -0.0222 (180deg=-0.598) 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 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -157:sc= -7.15! (180deg=-9.28!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 74 THR OG1 : rot 120: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 -148:sc= 0.953 USER MOD Single : A 93 LYS NZ :NH3+ -161:sc= -0.23 (180deg=-0.736) 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 -15:sc= -0.074! USER MOD Single : A 101 LYS NZ :NH3+ 143:sc= -0.223 (180deg=-1.51!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 80:sc= 0.968 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HEC O2A : rot 165:sc= 0 USER MOD Single : A 109 HEC O2D : rot 83:sc= 1.2 USER MOD Single : A 110 HEC O2A : rot 165:sc=-0.00588 USER MOD Single : A 110 HEC O2D : rot 180:sc= 0 USER MOD Single : A 111 HEC O2A : rot 90:sc=-0.00622 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.205 -14.425 -1.249 1.00 0.00 N ATOM 2 CA ALA A 1 -1.477 -14.564 -2.499 1.00 0.00 C ATOM 3 C ALA A 1 -2.473 -14.743 -3.647 1.00 0.00 C ATOM 4 O ALA A 1 -2.458 -15.733 -4.374 1.00 0.00 O ATOM 5 CB ALA A 1 -0.495 -15.732 -2.391 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.103 -13.453 -0.894 1.00 0.00 H new ATOM 0 H2 ALA A 1 -3.212 -14.632 -1.409 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.822 -15.091 -0.548 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.894 -13.667 -2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.051 -15.836 -3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.209 -15.542 -1.581 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -1.044 -16.651 -2.187 1.00 0.00 H new ATOM 13 N PRO A 2 -3.350 -13.748 -3.793 1.00 0.00 N ATOM 14 CA PRO A 2 -4.376 -13.708 -4.813 1.00 0.00 C ATOM 15 C PRO A 2 -3.783 -13.188 -6.115 1.00 0.00 C ATOM 16 O PRO A 2 -2.561 -13.191 -6.253 1.00 0.00 O ATOM 17 CB PRO A 2 -5.431 -12.748 -4.269 1.00 0.00 C ATOM 18 CG PRO A 2 -4.487 -11.693 -3.566 1.00 0.00 C ATOM 19 CD PRO A 2 -3.395 -12.569 -2.955 1.00 0.00 C ATOM 0 HA PRO A 2 -4.800 -14.689 -5.027 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -6.040 -12.305 -5.057 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -6.115 -13.230 -3.570 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -4.079 -10.977 -4.279 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -5.017 -11.119 -2.806 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -2.434 -12.054 -2.946 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -3.628 -12.827 -1.922 1.00 0.00 H new ATOM 27 N LYS A 3 -4.642 -12.761 -7.029 1.00 0.00 N ATOM 28 CA LYS A 3 -4.180 -12.247 -8.307 1.00 0.00 C ATOM 29 C LYS A 3 -4.830 -10.887 -8.570 1.00 0.00 C ATOM 30 O LYS A 3 -6.051 -10.791 -8.682 1.00 0.00 O ATOM 31 CB LYS A 3 -4.424 -13.271 -9.417 1.00 0.00 C ATOM 32 CG LYS A 3 -3.156 -14.075 -9.710 1.00 0.00 C ATOM 33 CD LYS A 3 -3.377 -15.041 -10.876 1.00 0.00 C ATOM 34 CE LYS A 3 -2.637 -14.566 -12.128 1.00 0.00 C ATOM 35 NZ LYS A 3 -3.569 -14.463 -13.273 1.00 0.00 N ATOM 0 H LYS A 3 -5.655 -12.760 -6.910 1.00 0.00 H new ATOM 0 HA LYS A 3 -3.102 -12.087 -8.286 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.227 -13.947 -9.123 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.752 -12.760 -10.322 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -2.337 -13.396 -9.946 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.861 -14.633 -8.821 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.030 -16.036 -10.599 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.443 -15.123 -11.088 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.175 -13.597 -11.939 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.832 -15.261 -12.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -3.051 -14.139 -14.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.990 -15.395 -13.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.322 -13.782 -13.047 1.00 0.00 H new ATOM 49 N ALA A 4 -3.986 -9.870 -8.661 1.00 0.00 N ATOM 50 CA ALA A 4 -4.464 -8.521 -8.909 1.00 0.00 C ATOM 51 C ALA A 4 -5.641 -8.572 -9.885 1.00 0.00 C ATOM 52 O ALA A 4 -5.477 -8.672 -11.099 1.00 0.00 O ATOM 53 CB ALA A 4 -3.312 -7.659 -9.430 1.00 0.00 C ATOM 0 H ALA A 4 -2.974 -9.953 -8.567 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.821 -8.065 -7.986 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -3.670 -6.647 -9.616 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.514 -7.631 -8.688 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.930 -8.085 -10.358 1.00 0.00 H new ATOM 59 N PRO A 5 -6.847 -8.500 -9.318 1.00 0.00 N ATOM 60 CA PRO A 5 -8.095 -8.529 -10.050 1.00 0.00 C ATOM 61 C PRO A 5 -8.037 -7.531 -11.198 1.00 0.00 C ATOM 62 O PRO A 5 -7.142 -6.688 -11.207 1.00 0.00 O ATOM 63 CB PRO A 5 -9.157 -8.128 -9.029 1.00 0.00 C ATOM 64 CG PRO A 5 -8.540 -8.766 -7.697 1.00 0.00 C ATOM 65 CD PRO A 5 -7.075 -8.382 -7.895 1.00 0.00 C ATOM 0 HA PRO A 5 -8.308 -9.505 -10.487 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -9.273 -7.047 -8.955 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.138 -8.538 -9.269 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -8.967 -8.338 -6.790 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.687 -9.845 -7.641 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.882 -7.367 -7.547 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -6.414 -9.042 -7.333 1.00 0.00 H new ATOM 73 N ALA A 6 -8.973 -7.642 -12.129 1.00 0.00 N ATOM 74 CA ALA A 6 -9.007 -6.740 -13.267 1.00 0.00 C ATOM 75 C ALA A 6 -9.655 -5.419 -12.847 1.00 0.00 C ATOM 76 O ALA A 6 -10.580 -5.408 -12.036 1.00 0.00 O ATOM 77 CB ALA A 6 -9.746 -7.409 -14.428 1.00 0.00 C ATOM 0 H ALA A 6 -9.714 -8.343 -12.118 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.997 -6.517 -13.609 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.771 -6.732 -15.282 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.229 -8.327 -14.708 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.765 -7.646 -14.122 1.00 0.00 H new ATOM 83 N ASP A 7 -9.144 -4.338 -13.417 1.00 0.00 N ATOM 84 CA ASP A 7 -9.662 -3.015 -13.112 1.00 0.00 C ATOM 85 C ASP A 7 -11.191 -3.054 -13.128 1.00 0.00 C ATOM 86 O ASP A 7 -11.786 -4.028 -13.589 1.00 0.00 O ATOM 87 CB ASP A 7 -9.204 -1.991 -14.152 1.00 0.00 C ATOM 88 CG ASP A 7 -7.804 -2.228 -14.721 1.00 0.00 C ATOM 89 OD1 ASP A 7 -6.881 -2.411 -13.898 1.00 0.00 O ATOM 90 OD2 ASP A 7 -7.688 -2.221 -15.965 1.00 0.00 O ATOM 0 H ASP A 7 -8.376 -4.351 -14.089 1.00 0.00 H new ATOM 0 HA ASP A 7 -9.287 -2.724 -12.131 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.918 -1.987 -14.975 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -9.233 -0.999 -13.701 1.00 0.00 H new ATOM 95 N GLY A 8 -11.785 -1.984 -12.621 1.00 0.00 N ATOM 96 CA GLY A 8 -13.233 -1.883 -12.572 1.00 0.00 C ATOM 97 C GLY A 8 -13.732 -1.850 -11.125 1.00 0.00 C ATOM 98 O GLY A 8 -14.896 -2.145 -10.859 1.00 0.00 O ATOM 0 H GLY A 8 -11.289 -1.178 -12.240 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.556 -0.981 -13.092 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -13.678 -2.730 -13.095 1.00 0.00 H new ATOM 102 N LEU A 9 -12.826 -1.487 -10.229 1.00 0.00 N ATOM 103 CA LEU A 9 -13.158 -1.411 -8.817 1.00 0.00 C ATOM 104 C LEU A 9 -13.284 0.057 -8.406 1.00 0.00 C ATOM 105 O LEU A 9 -12.372 0.850 -8.635 1.00 0.00 O ATOM 106 CB LEU A 9 -12.145 -2.198 -7.984 1.00 0.00 C ATOM 107 CG LEU A 9 -11.265 -1.373 -7.043 1.00 0.00 C ATOM 108 CD1 LEU A 9 -12.040 -0.963 -5.789 1.00 0.00 C ATOM 109 CD2 LEU A 9 -9.976 -2.122 -6.700 1.00 0.00 C ATOM 0 H LEU A 9 -11.862 -1.242 -10.454 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.123 -1.880 -8.627 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.687 -2.934 -7.390 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.497 -2.751 -8.664 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.977 -0.457 -7.559 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.392 -0.378 -5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -12.904 -0.364 -6.075 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.376 -1.855 -5.261 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.369 -1.513 -6.030 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.222 -3.065 -6.211 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.417 -2.322 -7.614 1.00 0.00 H new ATOM 121 N LYS A 10 -14.422 0.375 -7.805 1.00 0.00 N ATOM 122 CA LYS A 10 -14.679 1.734 -7.359 1.00 0.00 C ATOM 123 C LYS A 10 -15.273 1.700 -5.950 1.00 0.00 C ATOM 124 O LYS A 10 -16.075 0.824 -5.631 1.00 0.00 O ATOM 125 CB LYS A 10 -15.549 2.476 -8.376 1.00 0.00 C ATOM 126 CG LYS A 10 -17.011 2.036 -8.270 1.00 0.00 C ATOM 127 CD LYS A 10 -17.247 0.731 -9.033 1.00 0.00 C ATOM 128 CE LYS A 10 -18.105 -0.235 -8.213 1.00 0.00 C ATOM 129 NZ LYS A 10 -17.330 -0.780 -7.076 1.00 0.00 N ATOM 0 H LYS A 10 -15.176 -0.285 -7.617 1.00 0.00 H new ATOM 0 HA LYS A 10 -13.748 2.298 -7.299 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.476 3.550 -8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.180 2.285 -9.384 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -17.279 1.902 -7.222 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -17.659 2.817 -8.668 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -17.739 0.944 -9.982 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -16.290 0.264 -9.267 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -18.991 0.281 -7.843 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -18.453 -1.050 -8.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -17.980 -1.208 -6.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -16.668 -1.503 -7.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.797 -0.012 -6.620 1.00 0.00 H new ATOM 143 N MET A 11 -14.856 2.665 -5.143 1.00 0.00 N ATOM 144 CA MET A 11 -15.337 2.757 -3.775 1.00 0.00 C ATOM 145 C MET A 11 -16.295 3.938 -3.609 1.00 0.00 C ATOM 146 O MET A 11 -15.913 5.087 -3.823 1.00 0.00 O ATOM 147 CB MET A 11 -14.149 2.925 -2.826 1.00 0.00 C ATOM 148 CG MET A 11 -13.015 1.964 -3.191 1.00 0.00 C ATOM 149 SD MET A 11 -11.438 2.771 -2.974 1.00 0.00 S ATOM 150 CE MET A 11 -11.214 2.548 -1.217 1.00 0.00 C ATOM 0 H MET A 11 -14.190 3.390 -5.411 1.00 0.00 H new ATOM 0 HA MET A 11 -15.876 1.840 -3.537 1.00 0.00 H new ATOM 0 HB2 MET A 11 -13.788 3.952 -2.868 1.00 0.00 H new ATOM 0 HB3 MET A 11 -14.470 2.742 -1.800 1.00 0.00 H new ATOM 0 HG2 MET A 11 -13.066 1.073 -2.565 1.00 0.00 H new ATOM 0 HG3 MET A 11 -13.125 1.634 -4.224 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.645 3.386 -0.814 1.00 0.00 H new ATOM 0 HE2 MET A 11 -12.188 2.502 -0.729 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.672 1.620 -1.034 1.00 0.00 H new ATOM 160 N GLU A 12 -17.522 3.614 -3.227 1.00 0.00 N ATOM 161 CA GLU A 12 -18.538 4.634 -3.030 1.00 0.00 C ATOM 162 C GLU A 12 -19.494 4.221 -1.910 1.00 0.00 C ATOM 163 O GLU A 12 -20.702 4.125 -2.124 1.00 0.00 O ATOM 164 CB GLU A 12 -19.300 4.908 -4.328 1.00 0.00 C ATOM 165 CG GLU A 12 -20.030 3.653 -4.811 1.00 0.00 C ATOM 166 CD GLU A 12 -21.468 3.978 -5.219 1.00 0.00 C ATOM 167 OE1 GLU A 12 -22.092 4.791 -4.502 1.00 0.00 O ATOM 168 OE2 GLU A 12 -21.911 3.408 -6.239 1.00 0.00 O ATOM 0 H GLU A 12 -17.835 2.660 -3.049 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.043 5.560 -2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -20.018 5.712 -4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.606 5.248 -5.097 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -19.497 3.221 -5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -20.033 2.903 -4.020 1.00 0.00 H new ATOM 175 N ALA A 13 -18.919 3.987 -0.739 1.00 0.00 N ATOM 176 CA ALA A 13 -19.705 3.586 0.415 1.00 0.00 C ATOM 177 C ALA A 13 -20.306 4.829 1.073 1.00 0.00 C ATOM 178 O ALA A 13 -21.431 4.790 1.571 1.00 0.00 O ATOM 179 CB ALA A 13 -18.827 2.783 1.377 1.00 0.00 C ATOM 0 H ALA A 13 -17.917 4.068 -0.565 1.00 0.00 H new ATOM 0 HA ALA A 13 -20.530 2.941 0.113 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -19.417 2.482 2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.449 1.896 0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.989 3.398 1.705 1.00 0.00 H new ATOM 185 N THR A 14 -19.531 5.903 1.056 1.00 0.00 N ATOM 186 CA THR A 14 -19.973 7.155 1.645 1.00 0.00 C ATOM 187 C THR A 14 -20.681 8.017 0.599 1.00 0.00 C ATOM 188 O THR A 14 -21.187 7.501 -0.397 1.00 0.00 O ATOM 189 CB THR A 14 -18.756 7.838 2.272 1.00 0.00 C ATOM 190 OG1 THR A 14 -18.121 8.490 1.176 1.00 0.00 O ATOM 191 CG2 THR A 14 -17.711 6.835 2.765 1.00 0.00 C ATOM 0 H THR A 14 -18.599 5.932 0.643 1.00 0.00 H new ATOM 0 HA THR A 14 -20.709 6.984 2.431 1.00 0.00 H new ATOM 0 HB THR A 14 -19.080 8.464 3.104 1.00 0.00 H new ATOM 0 HG1 THR A 14 -17.156 8.539 1.339 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.869 7.372 3.201 1.00 0.00 H new ATOM 0 HG22 THR A 14 -18.157 6.186 3.519 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.362 6.231 1.927 1.00 0.00 H new ATOM 199 N LYS A 15 -20.694 9.316 0.859 1.00 0.00 N ATOM 200 CA LYS A 15 -21.332 10.255 -0.049 1.00 0.00 C ATOM 201 C LYS A 15 -20.301 10.762 -1.059 1.00 0.00 C ATOM 202 O LYS A 15 -20.457 11.845 -1.620 1.00 0.00 O ATOM 203 CB LYS A 15 -22.025 11.370 0.735 1.00 0.00 C ATOM 204 CG LYS A 15 -23.025 10.795 1.741 1.00 0.00 C ATOM 205 CD LYS A 15 -24.195 11.756 1.962 1.00 0.00 C ATOM 206 CE LYS A 15 -24.636 11.754 3.427 1.00 0.00 C ATOM 207 NZ LYS A 15 -26.094 11.987 3.529 1.00 0.00 N ATOM 0 H LYS A 15 -20.273 9.741 1.685 1.00 0.00 H new ATOM 0 HA LYS A 15 -22.119 9.760 -0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -21.280 11.968 1.259 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -22.541 12.038 0.045 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -23.400 9.837 1.380 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -22.523 10.604 2.689 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -23.903 12.764 1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -25.032 11.468 1.326 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -24.381 10.800 3.889 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -24.099 12.527 3.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -26.377 11.983 4.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -26.329 12.908 3.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -26.602 11.234 3.022 1.00 0.00 H new ATOM 221 N GLN A 16 -19.269 9.955 -1.259 1.00 0.00 N ATOM 222 CA GLN A 16 -18.212 10.308 -2.191 1.00 0.00 C ATOM 223 C GLN A 16 -17.604 9.047 -2.807 1.00 0.00 C ATOM 224 O GLN A 16 -16.830 8.324 -2.184 1.00 0.00 O ATOM 225 CB GLN A 16 -17.139 11.157 -1.507 1.00 0.00 C ATOM 226 CG GLN A 16 -17.497 11.418 -0.043 1.00 0.00 C ATOM 227 CD GLN A 16 -18.506 12.562 0.079 1.00 0.00 C ATOM 228 OE1 GLN A 16 -18.739 13.320 -0.849 1.00 0.00 O ATOM 229 NE2 GLN A 16 -19.089 12.645 1.271 1.00 0.00 N ATOM 0 H GLN A 16 -19.143 9.057 -0.791 1.00 0.00 H new ATOM 0 HA GLN A 16 -18.646 10.906 -2.992 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -16.177 10.649 -1.565 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -17.031 12.105 -2.033 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -17.912 10.513 0.400 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -16.595 11.663 0.518 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -18.848 11.978 2.004 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -19.777 13.376 1.452 1.00 0.00 H new ATOM 238 N PRO A 17 -17.978 8.797 -4.065 1.00 0.00 N ATOM 239 CA PRO A 17 -17.524 7.662 -4.840 1.00 0.00 C ATOM 240 C PRO A 17 -16.143 7.953 -5.411 1.00 0.00 C ATOM 241 O PRO A 17 -15.949 9.029 -5.975 1.00 0.00 O ATOM 242 CB PRO A 17 -18.557 7.511 -5.955 1.00 0.00 C ATOM 243 CG PRO A 17 -18.995 8.941 -6.188 1.00 0.00 C ATOM 244 CD PRO A 17 -18.886 9.625 -4.827 1.00 0.00 C ATOM 0 HA PRO A 17 -17.438 6.751 -4.248 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.125 7.067 -6.852 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -19.390 6.875 -5.654 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -18.360 9.431 -6.926 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.016 8.982 -6.568 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -18.505 10.642 -4.925 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -19.859 9.695 -4.341 1.00 0.00 H new ATOM 252 N VAL A 18 -15.226 7.009 -5.257 1.00 0.00 N ATOM 253 CA VAL A 18 -13.876 7.188 -5.764 1.00 0.00 C ATOM 254 C VAL A 18 -13.414 5.896 -6.440 1.00 0.00 C ATOM 255 O VAL A 18 -13.299 4.858 -5.789 1.00 0.00 O ATOM 256 CB VAL A 18 -12.948 7.637 -4.634 1.00 0.00 C ATOM 257 CG1 VAL A 18 -11.505 7.766 -5.127 1.00 0.00 C ATOM 258 CG2 VAL A 18 -13.434 8.947 -4.011 1.00 0.00 C ATOM 0 H VAL A 18 -15.391 6.118 -4.789 1.00 0.00 H new ATOM 0 HA VAL A 18 -13.852 7.975 -6.518 1.00 0.00 H new ATOM 0 HB VAL A 18 -12.970 6.870 -3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.867 8.087 -4.304 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.160 6.801 -5.499 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.459 8.502 -5.930 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.756 9.243 -3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.457 9.726 -4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.436 8.807 -3.605 1.00 0.00 H new ATOM 268 N VAL A 19 -13.162 6.001 -7.736 1.00 0.00 N ATOM 269 CA VAL A 19 -12.716 4.853 -8.507 1.00 0.00 C ATOM 270 C VAL A 19 -11.203 4.690 -8.342 1.00 0.00 C ATOM 271 O VAL A 19 -10.488 5.671 -8.143 1.00 0.00 O ATOM 272 CB VAL A 19 -13.145 5.005 -9.968 1.00 0.00 C ATOM 273 CG1 VAL A 19 -12.055 5.695 -10.791 1.00 0.00 C ATOM 274 CG2 VAL A 19 -13.514 3.649 -10.575 1.00 0.00 C ATOM 0 H VAL A 19 -13.258 6.863 -8.272 1.00 0.00 H new ATOM 0 HA VAL A 19 -13.184 3.940 -8.138 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.033 5.636 -9.992 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.386 5.790 -11.825 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.860 6.685 -10.379 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -11.142 5.101 -10.755 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -13.815 3.785 -11.614 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.651 2.984 -10.532 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.339 3.211 -10.013 1.00 0.00 H new ATOM 284 N PHE A 20 -10.761 3.444 -8.431 1.00 0.00 N ATOM 285 CA PHE A 20 -9.347 3.141 -8.293 1.00 0.00 C ATOM 286 C PHE A 20 -8.984 1.862 -9.051 1.00 0.00 C ATOM 287 O PHE A 20 -9.476 0.783 -8.726 1.00 0.00 O ATOM 288 CB PHE A 20 -9.078 2.929 -6.802 1.00 0.00 C ATOM 289 CG PHE A 20 -8.009 1.875 -6.506 1.00 0.00 C ATOM 290 CD1 PHE A 20 -8.349 0.559 -6.452 1.00 0.00 C ATOM 291 CD2 PHE A 20 -6.720 2.253 -6.296 1.00 0.00 C ATOM 292 CE1 PHE A 20 -7.357 -0.420 -6.177 1.00 0.00 C ATOM 293 CE2 PHE A 20 -5.729 1.275 -6.021 1.00 0.00 C ATOM 294 CZ PHE A 20 -6.068 -0.041 -5.968 1.00 0.00 C ATOM 0 H PHE A 20 -11.357 2.633 -8.597 1.00 0.00 H new ATOM 0 HA PHE A 20 -8.750 3.956 -8.702 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.771 3.877 -6.360 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.007 2.636 -6.314 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -9.373 0.258 -6.618 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -6.450 3.298 -6.338 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.627 -1.465 -6.134 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.705 1.576 -5.854 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.313 -0.785 -5.760 1.00 0.00 H new ATOM 304 N ASN A 21 -8.127 2.026 -10.047 1.00 0.00 N ATOM 305 CA ASN A 21 -7.692 0.899 -10.854 1.00 0.00 C ATOM 306 C ASN A 21 -6.288 0.475 -10.418 1.00 0.00 C ATOM 307 O ASN A 21 -5.369 1.290 -10.375 1.00 0.00 O ATOM 308 CB ASN A 21 -7.634 1.272 -12.337 1.00 0.00 C ATOM 309 CG ASN A 21 -8.481 2.513 -12.623 1.00 0.00 C ATOM 310 OD1 ASN A 21 -8.023 3.641 -12.546 1.00 0.00 O ATOM 311 ND2 ASN A 21 -9.740 2.243 -12.958 1.00 0.00 N ATOM 0 H ASN A 21 -7.722 2.923 -10.314 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.408 0.089 -10.714 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.600 1.458 -12.629 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.991 0.437 -12.940 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.386 3.004 -13.169 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.059 1.275 -13.004 1.00 0.00 H new ATOM 318 N HIS A 22 -6.162 -0.814 -10.100 1.00 0.00 N ATOM 319 CA HIS A 22 -4.901 -1.401 -9.662 1.00 0.00 C ATOM 320 C HIS A 22 -3.800 -1.102 -10.696 1.00 0.00 C ATOM 321 O HIS A 22 -2.625 -1.020 -10.342 1.00 0.00 O ATOM 322 CB HIS A 22 -5.118 -2.896 -9.384 1.00 0.00 C ATOM 323 CG HIS A 22 -5.695 -3.260 -8.036 1.00 0.00 C ATOM 324 ND1 HIS A 22 -7.003 -3.455 -7.841 1.00 0.00 N ATOM 325 CD2 HIS A 22 -5.093 -3.460 -6.817 1.00 0.00 C ATOM 326 CE1 HIS A 22 -7.208 -3.763 -6.551 1.00 0.00 C ATOM 327 NE2 HIS A 22 -6.062 -3.780 -5.873 1.00 0.00 N ATOM 0 H HIS A 22 -6.934 -1.479 -10.140 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.557 -0.956 -8.728 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.779 -3.293 -10.155 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.160 -3.405 -9.492 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -7.727 -3.382 -8.556 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -4.034 -3.381 -6.623 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -8.176 -3.970 -6.119 1.00 0.00 H new ATOM 335 N SER A 23 -4.221 -0.948 -11.943 1.00 0.00 N ATOM 336 CA SER A 23 -3.286 -0.661 -13.018 1.00 0.00 C ATOM 337 C SER A 23 -2.521 0.629 -12.716 1.00 0.00 C ATOM 338 O SER A 23 -1.310 0.698 -12.919 1.00 0.00 O ATOM 339 CB SER A 23 -4.010 -0.546 -14.361 1.00 0.00 C ATOM 340 OG SER A 23 -4.505 0.770 -14.590 1.00 0.00 O ATOM 0 H SER A 23 -5.197 -1.017 -12.233 1.00 0.00 H new ATOM 0 HA SER A 23 -2.579 -1.488 -13.086 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.328 -0.822 -15.165 1.00 0.00 H new ATOM 0 HB3 SER A 23 -4.838 -1.254 -14.388 1.00 0.00 H new ATOM 0 HG SER A 23 -4.959 0.802 -15.458 1.00 0.00 H new ATOM 346 N THR A 24 -3.260 1.619 -12.235 1.00 0.00 N ATOM 347 CA THR A 24 -2.665 2.902 -11.903 1.00 0.00 C ATOM 348 C THR A 24 -1.918 2.815 -10.571 1.00 0.00 C ATOM 349 O THR A 24 -1.296 3.781 -10.133 1.00 0.00 O ATOM 350 CB THR A 24 -3.777 3.953 -11.909 1.00 0.00 C ATOM 351 OG1 THR A 24 -4.665 3.525 -10.880 1.00 0.00 O ATOM 352 CG2 THR A 24 -4.627 3.901 -13.180 1.00 0.00 C ATOM 0 H THR A 24 -4.264 1.558 -12.068 1.00 0.00 H new ATOM 0 HA THR A 24 -1.917 3.194 -12.640 1.00 0.00 H new ATOM 0 HB THR A 24 -3.338 4.945 -11.807 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.549 2.564 -10.726 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.401 4.667 -13.132 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.993 4.079 -14.049 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.093 2.920 -13.266 1.00 0.00 H new ATOM 360 N HIS A 25 -2.002 1.636 -9.954 1.00 0.00 N ATOM 361 CA HIS A 25 -1.356 1.365 -8.675 1.00 0.00 C ATOM 362 C HIS A 25 -0.857 -0.092 -8.643 1.00 0.00 C ATOM 363 O HIS A 25 -1.102 -0.808 -7.673 1.00 0.00 O ATOM 364 CB HIS A 25 -2.326 1.725 -7.540 1.00 0.00 C ATOM 365 CG HIS A 25 -2.820 3.153 -7.496 1.00 0.00 C ATOM 366 ND1 HIS A 25 -3.814 3.595 -8.272 1.00 0.00 N ATOM 367 CD2 HIS A 25 -2.419 4.227 -6.739 1.00 0.00 C ATOM 368 CE1 HIS A 25 -4.025 4.894 -8.008 1.00 0.00 C ATOM 369 NE2 HIS A 25 -3.190 5.335 -7.068 1.00 0.00 N ATOM 0 H HIS A 25 -2.521 0.843 -10.330 1.00 0.00 H new ATOM 0 HA HIS A 25 -0.470 1.985 -8.537 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -3.192 1.067 -7.612 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.836 1.505 -6.591 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -4.328 3.037 -8.953 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.628 4.212 -6.003 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.774 5.502 -8.494 1.00 0.00 H new ATOM 377 N LYS A 26 -0.171 -0.480 -9.708 1.00 0.00 N ATOM 378 CA LYS A 26 0.358 -1.829 -9.807 1.00 0.00 C ATOM 379 C LYS A 26 1.869 -1.799 -9.569 1.00 0.00 C ATOM 380 O LYS A 26 2.542 -2.820 -9.700 1.00 0.00 O ATOM 381 CB LYS A 26 -0.042 -2.465 -11.140 1.00 0.00 C ATOM 382 CG LYS A 26 0.936 -2.073 -12.250 1.00 0.00 C ATOM 383 CD LYS A 26 0.343 -2.362 -13.630 1.00 0.00 C ATOM 384 CE LYS A 26 0.725 -1.269 -14.630 1.00 0.00 C ATOM 385 NZ LYS A 26 -0.338 -1.103 -15.647 1.00 0.00 N ATOM 0 H LYS A 26 0.031 0.117 -10.510 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.074 -2.465 -9.034 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.065 -3.550 -11.037 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.050 -2.149 -11.410 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.178 -1.013 -12.169 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.869 -2.623 -12.129 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.699 -3.328 -13.988 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.742 -2.430 -13.557 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.885 -0.327 -14.105 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.666 -1.526 -15.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.016 -0.512 -16.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.613 -2.035 -16.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.165 -0.644 -15.213 1.00 0.00 H new ATOM 399 N SER A 27 2.358 -0.617 -9.224 1.00 0.00 N ATOM 400 CA SER A 27 3.776 -0.440 -8.966 1.00 0.00 C ATOM 401 C SER A 27 4.000 -0.068 -7.498 1.00 0.00 C ATOM 402 O SER A 27 4.939 0.656 -7.174 1.00 0.00 O ATOM 403 CB SER A 27 4.373 0.631 -9.881 1.00 0.00 C ATOM 404 OG SER A 27 5.719 0.334 -10.244 1.00 0.00 O ATOM 0 H SER A 27 1.797 0.228 -9.117 1.00 0.00 H new ATOM 0 HA SER A 27 4.281 -1.383 -9.176 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.765 0.718 -10.782 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.338 1.598 -9.378 1.00 0.00 H new ATOM 0 HG SER A 27 6.063 1.040 -10.829 1.00 0.00 H new ATOM 410 N VAL A 28 3.120 -0.581 -6.651 1.00 0.00 N ATOM 411 CA VAL A 28 3.209 -0.313 -5.226 1.00 0.00 C ATOM 412 C VAL A 28 2.950 -1.606 -4.450 1.00 0.00 C ATOM 413 O VAL A 28 2.078 -2.391 -4.819 1.00 0.00 O ATOM 414 CB VAL A 28 2.248 0.815 -4.845 1.00 0.00 C ATOM 415 CG1 VAL A 28 2.046 0.875 -3.329 1.00 0.00 C ATOM 416 CG2 VAL A 28 2.738 2.159 -5.386 1.00 0.00 C ATOM 0 H VAL A 28 2.342 -1.181 -6.924 1.00 0.00 H new ATOM 0 HA VAL A 28 4.211 0.028 -4.964 1.00 0.00 H new ATOM 0 HB VAL A 28 1.282 0.601 -5.304 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.359 1.685 -3.085 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.631 -0.070 -2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.004 1.053 -2.841 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.037 2.943 -5.101 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.721 2.382 -4.970 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.806 2.111 -6.473 1.00 0.00 H new ATOM 426 N LYS A 29 3.724 -1.788 -3.391 1.00 0.00 N ATOM 427 CA LYS A 29 3.590 -2.972 -2.560 1.00 0.00 C ATOM 428 C LYS A 29 2.140 -3.097 -2.087 1.00 0.00 C ATOM 429 O LYS A 29 1.579 -2.150 -1.538 1.00 0.00 O ATOM 430 CB LYS A 29 4.608 -2.945 -1.418 1.00 0.00 C ATOM 431 CG LYS A 29 5.251 -4.320 -1.224 1.00 0.00 C ATOM 432 CD LYS A 29 5.935 -4.417 0.141 1.00 0.00 C ATOM 433 CE LYS A 29 6.842 -5.647 0.214 1.00 0.00 C ATOM 434 NZ LYS A 29 7.145 -5.985 1.622 1.00 0.00 N ATOM 0 H LYS A 29 4.447 -1.135 -3.089 1.00 0.00 H new ATOM 0 HA LYS A 29 3.817 -3.868 -3.137 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.380 -2.206 -1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.117 -2.636 -0.495 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.491 -5.096 -1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.980 -4.499 -2.014 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.522 -3.517 0.322 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.181 -4.470 0.927 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.357 -6.493 -0.273 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.768 -5.456 -0.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.761 -6.822 1.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.627 -5.183 2.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.260 -6.188 2.129 1.00 0.00 H new ATOM 448 N CYS A 30 1.574 -4.272 -2.319 1.00 0.00 N ATOM 449 CA CYS A 30 0.201 -4.533 -1.923 1.00 0.00 C ATOM 450 C CYS A 30 0.069 -4.248 -0.426 1.00 0.00 C ATOM 451 O CYS A 30 -1.020 -3.946 0.059 1.00 0.00 O ATOM 452 CB CYS A 30 -0.228 -5.960 -2.273 1.00 0.00 C ATOM 453 SG CYS A 30 0.447 -6.600 -3.849 1.00 0.00 S ATOM 0 H CYS A 30 2.042 -5.054 -2.777 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.470 -3.876 -2.477 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.079 -6.625 -1.466 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.316 -5.996 -2.319 1.00 0.00 H new ATOM 458 N GLY A 31 1.195 -4.354 0.265 1.00 0.00 N ATOM 459 CA GLY A 31 1.220 -4.111 1.697 1.00 0.00 C ATOM 460 C GLY A 31 1.110 -2.616 2.003 1.00 0.00 C ATOM 461 O GLY A 31 1.069 -2.218 3.165 1.00 0.00 O ATOM 0 H GLY A 31 2.097 -4.605 -0.141 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.398 -4.645 2.174 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.144 -4.505 2.120 1.00 0.00 H new ATOM 465 N ASP A 32 1.066 -1.829 0.938 1.00 0.00 N ATOM 466 CA ASP A 32 0.962 -0.387 1.077 1.00 0.00 C ATOM 467 C ASP A 32 -0.505 -0.002 1.277 1.00 0.00 C ATOM 468 O ASP A 32 -0.813 0.908 2.046 1.00 0.00 O ATOM 469 CB ASP A 32 1.470 0.326 -0.178 1.00 0.00 C ATOM 470 CG ASP A 32 1.960 1.758 0.045 1.00 0.00 C ATOM 471 OD1 ASP A 32 1.163 2.551 0.593 1.00 0.00 O ATOM 472 OD2 ASP A 32 3.119 2.028 -0.336 1.00 0.00 O ATOM 0 H ASP A 32 1.101 -2.163 -0.025 1.00 0.00 H new ATOM 0 HA ASP A 32 1.567 -0.087 1.933 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.285 -0.258 -0.605 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.669 0.343 -0.917 1.00 0.00 H new ATOM 477 N CYS A 33 -1.372 -0.715 0.573 1.00 0.00 N ATOM 478 CA CYS A 33 -2.800 -0.460 0.663 1.00 0.00 C ATOM 479 C CYS A 33 -3.423 -1.532 1.559 1.00 0.00 C ATOM 480 O CYS A 33 -4.247 -1.232 2.421 1.00 0.00 O ATOM 481 CB CYS A 33 -3.456 -0.418 -0.718 1.00 0.00 C ATOM 482 SG CYS A 33 -3.566 1.311 -1.307 1.00 0.00 S ATOM 0 H CYS A 33 -1.113 -1.470 -0.063 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.970 0.523 1.102 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.877 -1.015 -1.423 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.452 -0.859 -0.670 1.00 0.00 H new ATOM 487 N HIS A 34 -3.003 -2.776 1.326 1.00 0.00 N ATOM 488 CA HIS A 34 -3.485 -3.928 2.079 1.00 0.00 C ATOM 489 C HIS A 34 -2.516 -4.236 3.236 1.00 0.00 C ATOM 490 O HIS A 34 -1.707 -5.156 3.144 1.00 0.00 O ATOM 491 CB HIS A 34 -3.704 -5.099 1.110 1.00 0.00 C ATOM 492 CG HIS A 34 -4.629 -4.850 -0.059 1.00 0.00 C ATOM 493 ND1 HIS A 34 -5.957 -4.781 0.077 1.00 0.00 N ATOM 494 CD2 HIS A 34 -4.370 -4.655 -1.395 1.00 0.00 C ATOM 495 CE1 HIS A 34 -6.504 -4.552 -1.127 1.00 0.00 C ATOM 496 NE2 HIS A 34 -5.569 -4.465 -2.072 1.00 0.00 N ATOM 0 H HIS A 34 -2.318 -3.011 0.608 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.449 -3.725 2.546 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.733 -5.401 0.717 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -4.094 -5.943 1.679 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -6.470 -4.885 0.952 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.389 -4.650 -1.847 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.564 -4.451 -1.306 1.00 0.00 H new ATOM 504 N HIS A 35 -2.632 -3.445 4.303 1.00 0.00 N ATOM 505 CA HIS A 35 -1.798 -3.591 5.490 1.00 0.00 C ATOM 506 C HIS A 35 -2.183 -4.878 6.242 1.00 0.00 C ATOM 507 O HIS A 35 -3.302 -5.376 6.140 1.00 0.00 O ATOM 508 CB HIS A 35 -1.905 -2.311 6.333 1.00 0.00 C ATOM 509 CG HIS A 35 -3.198 -2.100 7.086 1.00 0.00 C ATOM 510 ND1 HIS A 35 -3.654 -2.970 7.992 1.00 0.00 N ATOM 511 CD2 HIS A 35 -4.121 -1.082 7.036 1.00 0.00 C ATOM 512 CE1 HIS A 35 -4.815 -2.513 8.487 1.00 0.00 C ATOM 513 NE2 HIS A 35 -5.150 -1.350 7.931 1.00 0.00 N ATOM 0 H HIS A 35 -3.309 -2.685 4.366 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.746 -3.706 5.227 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.087 -2.309 7.054 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.751 -1.456 5.674 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -3.195 -3.839 8.263 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.056 -0.211 6.401 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.401 -3.022 9.238 1.00 0.00 H new ATOM 521 N PRO A 36 -1.221 -5.405 7.003 1.00 0.00 N ATOM 522 CA PRO A 36 -1.373 -6.608 7.793 1.00 0.00 C ATOM 523 C PRO A 36 -2.196 -6.302 9.036 1.00 0.00 C ATOM 524 O PRO A 36 -1.794 -5.442 9.818 1.00 0.00 O ATOM 525 CB PRO A 36 0.052 -7.013 8.166 1.00 0.00 C ATOM 526 CG PRO A 36 0.817 -5.766 8.134 1.00 0.00 C ATOM 527 CD PRO A 36 0.106 -4.846 7.146 1.00 0.00 C ATOM 0 HA PRO A 36 -1.889 -7.405 7.258 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.087 -7.473 9.154 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.453 -7.741 7.461 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.861 -5.312 9.124 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.845 -5.950 7.822 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.065 -3.823 7.519 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.627 -4.816 6.189 1.00 0.00 H new ATOM 535 N VAL A 37 -3.314 -6.996 9.194 1.00 0.00 N ATOM 536 CA VAL A 37 -4.173 -6.780 10.346 1.00 0.00 C ATOM 537 C VAL A 37 -4.192 -8.044 11.207 1.00 0.00 C ATOM 538 O VAL A 37 -4.066 -9.153 10.690 1.00 0.00 O ATOM 539 CB VAL A 37 -5.567 -6.349 9.885 1.00 0.00 C ATOM 540 CG1 VAL A 37 -6.225 -5.429 10.915 1.00 0.00 C ATOM 541 CG2 VAL A 37 -5.508 -5.679 8.511 1.00 0.00 C ATOM 0 H VAL A 37 -3.645 -7.708 8.543 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.785 -5.971 10.965 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.181 -7.245 9.795 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -7.214 -5.137 10.563 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.318 -5.955 11.865 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.612 -4.538 11.052 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.512 -5.383 8.207 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.870 -4.797 8.563 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.100 -6.379 7.782 1.00 0.00 H new ATOM 551 N ASN A 38 -4.350 -7.834 12.506 1.00 0.00 N ATOM 552 CA ASN A 38 -4.386 -8.943 13.444 1.00 0.00 C ATOM 553 C ASN A 38 -3.339 -9.983 13.039 1.00 0.00 C ATOM 554 O ASN A 38 -3.518 -11.176 13.280 1.00 0.00 O ATOM 555 CB ASN A 38 -5.756 -9.625 13.437 1.00 0.00 C ATOM 556 CG ASN A 38 -6.876 -8.607 13.664 1.00 0.00 C ATOM 557 OD1 ASN A 38 -7.869 -8.569 12.956 1.00 0.00 O ATOM 558 ND2 ASN A 38 -6.662 -7.787 14.689 1.00 0.00 N ATOM 0 H ASN A 38 -4.454 -6.912 12.931 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.183 -8.549 14.440 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.909 -10.133 12.485 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.790 -10.388 14.214 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.351 -7.072 14.923 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.809 -7.873 15.241 1.00 0.00 H new ATOM 565 N GLY A 39 -2.269 -9.493 12.431 1.00 0.00 N ATOM 566 CA GLY A 39 -1.193 -10.364 11.991 1.00 0.00 C ATOM 567 C GLY A 39 -1.674 -11.318 10.895 1.00 0.00 C ATOM 568 O GLY A 39 -1.630 -12.535 11.064 1.00 0.00 O ATOM 0 H GLY A 39 -2.124 -8.503 12.233 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.364 -9.763 11.617 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.815 -10.938 12.837 1.00 0.00 H new ATOM 572 N LYS A 40 -2.121 -10.728 9.796 1.00 0.00 N ATOM 573 CA LYS A 40 -2.609 -11.510 8.673 1.00 0.00 C ATOM 574 C LYS A 40 -3.082 -10.565 7.566 1.00 0.00 C ATOM 575 O LYS A 40 -4.156 -9.974 7.667 1.00 0.00 O ATOM 576 CB LYS A 40 -3.680 -12.500 9.135 1.00 0.00 C ATOM 577 CG LYS A 40 -4.547 -12.958 7.960 1.00 0.00 C ATOM 578 CD LYS A 40 -5.759 -13.753 8.450 1.00 0.00 C ATOM 579 CE LYS A 40 -6.873 -12.816 8.922 1.00 0.00 C ATOM 580 NZ LYS A 40 -8.195 -13.462 8.761 1.00 0.00 N ATOM 0 H LYS A 40 -2.155 -9.718 9.659 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.806 -12.117 8.254 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.205 -13.364 9.600 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.308 -12.034 9.895 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.882 -12.091 7.391 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.954 -13.573 7.284 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.130 -14.390 7.647 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.461 -14.411 9.267 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.716 -12.552 9.968 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.843 -11.888 8.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.907 -12.937 9.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.461 -13.462 7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.147 -14.442 9.107 1.00 0.00 H new ATOM 594 N GLU A 41 -2.256 -10.452 6.536 1.00 0.00 N ATOM 595 CA GLU A 41 -2.576 -9.588 5.412 1.00 0.00 C ATOM 596 C GLU A 41 -4.087 -9.566 5.174 1.00 0.00 C ATOM 597 O GLU A 41 -4.706 -10.613 4.988 1.00 0.00 O ATOM 598 CB GLU A 41 -1.828 -10.029 4.152 1.00 0.00 C ATOM 599 CG GLU A 41 -0.516 -9.258 3.995 1.00 0.00 C ATOM 600 CD GLU A 41 0.428 -9.975 3.028 1.00 0.00 C ATOM 601 OE1 GLU A 41 0.249 -9.774 1.807 1.00 0.00 O ATOM 602 OE2 GLU A 41 1.308 -10.707 3.531 1.00 0.00 O ATOM 0 H GLU A 41 -1.366 -10.944 6.456 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.251 -8.576 5.652 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.622 -11.098 4.203 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.456 -9.867 3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.722 -8.252 3.629 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.034 -9.151 4.967 1.00 0.00 H new ATOM 609 N ASP A 42 -4.638 -8.361 5.187 1.00 0.00 N ATOM 610 CA ASP A 42 -6.065 -8.188 4.974 1.00 0.00 C ATOM 611 C ASP A 42 -6.298 -7.542 3.607 1.00 0.00 C ATOM 612 O ASP A 42 -5.646 -6.574 3.222 1.00 0.00 O ATOM 613 CB ASP A 42 -6.674 -7.273 6.039 1.00 0.00 C ATOM 614 CG ASP A 42 -8.174 -7.012 5.886 1.00 0.00 C ATOM 615 OD1 ASP A 42 -8.944 -7.964 6.137 1.00 0.00 O ATOM 616 OD2 ASP A 42 -8.516 -5.866 5.521 1.00 0.00 O ATOM 0 H ASP A 42 -4.122 -7.495 5.342 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.535 -9.170 5.030 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.495 -7.713 7.020 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.150 -6.317 6.018 1.00 0.00 H new ATOM 621 N TYR A 43 -7.257 -8.109 2.871 1.00 0.00 N ATOM 622 CA TYR A 43 -7.598 -7.616 1.552 1.00 0.00 C ATOM 623 C TYR A 43 -9.103 -7.413 1.450 1.00 0.00 C ATOM 624 O TYR A 43 -9.629 -7.414 0.338 1.00 0.00 O ATOM 625 CB TYR A 43 -7.113 -8.608 0.499 1.00 0.00 C ATOM 626 CG TYR A 43 -5.664 -8.422 0.117 1.00 0.00 C ATOM 627 CD1 TYR A 43 -4.662 -8.561 1.085 1.00 0.00 C ATOM 628 CD2 TYR A 43 -5.323 -8.112 -1.205 1.00 0.00 C ATOM 629 CE1 TYR A 43 -3.319 -8.387 0.731 1.00 0.00 C ATOM 630 CE2 TYR A 43 -3.980 -7.939 -1.559 1.00 0.00 C ATOM 631 CZ TYR A 43 -2.977 -8.077 -0.591 1.00 0.00 C ATOM 632 OH TYR A 43 -1.669 -7.908 -0.936 1.00 0.00 O ATOM 0 H TYR A 43 -7.808 -8.912 3.175 1.00 0.00 H new ATOM 0 HA TYR A 43 -7.110 -6.656 1.380 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -7.254 -9.622 0.874 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -7.731 -8.509 -0.393 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.925 -8.802 2.104 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -6.096 -8.006 -1.952 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.546 -8.492 1.478 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.717 -7.699 -2.579 1.00 0.00 H new ATOM 0 HH TYR A 43 -1.170 -7.563 -0.166 1.00 0.00 H new ATOM 642 N ARG A 44 -9.758 -7.247 2.589 1.00 0.00 N ATOM 643 CA ARG A 44 -11.197 -7.045 2.603 1.00 0.00 C ATOM 644 C ARG A 44 -11.523 -5.551 2.644 1.00 0.00 C ATOM 645 O ARG A 44 -10.632 -4.722 2.818 1.00 0.00 O ATOM 646 CB ARG A 44 -11.838 -7.733 3.810 1.00 0.00 C ATOM 647 CG ARG A 44 -11.223 -9.115 4.044 1.00 0.00 C ATOM 648 CD ARG A 44 -11.933 -9.845 5.186 1.00 0.00 C ATOM 649 NE ARG A 44 -10.940 -10.335 6.168 1.00 0.00 N ATOM 650 CZ ARG A 44 -11.226 -10.616 7.457 1.00 0.00 C ATOM 651 NH1 ARG A 44 -12.480 -10.458 7.931 1.00 0.00 N ATOM 652 NH2 ARG A 44 -10.260 -11.049 8.247 1.00 0.00 N ATOM 0 H ARG A 44 -9.319 -7.248 3.510 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.602 -7.484 1.691 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -11.704 -7.116 4.699 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.912 -7.831 3.649 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -11.292 -9.707 3.131 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -10.163 -9.011 4.277 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.639 -9.174 5.675 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -12.510 -10.681 4.791 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.980 -10.469 5.851 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -13.220 -10.124 7.314 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.687 -10.673 8.906 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.315 -11.166 7.880 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.459 -11.266 9.224 1.00 0.00 H new ATOM 665 N LYS A 45 -12.804 -5.253 2.481 1.00 0.00 N ATOM 666 CA LYS A 45 -13.259 -3.873 2.497 1.00 0.00 C ATOM 667 C LYS A 45 -12.465 -3.091 3.545 1.00 0.00 C ATOM 668 O LYS A 45 -12.237 -3.581 4.650 1.00 0.00 O ATOM 669 CB LYS A 45 -14.774 -3.811 2.702 1.00 0.00 C ATOM 670 CG LYS A 45 -15.493 -4.800 1.782 1.00 0.00 C ATOM 671 CD LYS A 45 -16.766 -4.182 1.200 1.00 0.00 C ATOM 672 CE LYS A 45 -17.800 -5.262 0.874 1.00 0.00 C ATOM 673 NZ LYS A 45 -18.819 -5.343 1.945 1.00 0.00 N ATOM 0 H LYS A 45 -13.541 -5.944 2.337 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.071 -3.399 1.534 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.013 -4.036 3.741 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.130 -2.800 2.504 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.827 -5.099 0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.744 -5.703 2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -17.188 -3.472 1.911 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -16.523 -3.622 0.297 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -18.281 -5.038 -0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.304 -6.226 0.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -19.513 -6.080 1.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.357 -5.578 2.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -19.304 -4.427 2.033 1.00 0.00 H new ATOM 687 N CYS A 46 -12.064 -1.888 3.161 1.00 0.00 N ATOM 688 CA CYS A 46 -11.300 -1.033 4.054 1.00 0.00 C ATOM 689 C CYS A 46 -12.158 -0.736 5.285 1.00 0.00 C ATOM 690 O CYS A 46 -11.678 -0.822 6.415 1.00 0.00 O ATOM 691 CB CYS A 46 -10.842 0.249 3.355 1.00 0.00 C ATOM 692 SG CYS A 46 -9.476 0.024 2.158 1.00 0.00 S ATOM 0 H CYS A 46 -12.254 -1.485 2.243 1.00 0.00 H new ATOM 0 HA CYS A 46 -10.389 -1.546 4.362 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -11.694 0.687 2.835 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.528 0.967 4.113 1.00 0.00 H new ATOM 697 N GLY A 47 -13.410 -0.392 5.026 1.00 0.00 N ATOM 698 CA GLY A 47 -14.339 -0.082 6.099 1.00 0.00 C ATOM 699 C GLY A 47 -14.775 -1.352 6.831 1.00 0.00 C ATOM 700 O GLY A 47 -14.202 -1.709 7.860 1.00 0.00 O ATOM 0 H GLY A 47 -13.804 -0.321 4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.870 0.605 6.803 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.213 0.426 5.692 1.00 0.00 H new ATOM 704 N THR A 48 -15.786 -2.001 6.272 1.00 0.00 N ATOM 705 CA THR A 48 -16.306 -3.225 6.859 1.00 0.00 C ATOM 706 C THR A 48 -16.670 -2.999 8.328 1.00 0.00 C ATOM 707 O THR A 48 -16.310 -1.977 8.910 1.00 0.00 O ATOM 708 CB THR A 48 -15.265 -4.327 6.654 1.00 0.00 C ATOM 709 OG1 THR A 48 -14.294 -3.732 5.797 1.00 0.00 O ATOM 710 CG2 THR A 48 -15.810 -5.503 5.839 1.00 0.00 C ATOM 0 H THR A 48 -16.259 -1.703 5.419 1.00 0.00 H new ATOM 0 HA THR A 48 -17.230 -3.536 6.372 1.00 0.00 H new ATOM 0 HB THR A 48 -14.920 -4.686 7.624 1.00 0.00 H new ATOM 0 HG1 THR A 48 -13.571 -4.371 5.629 1.00 0.00 H new ATOM 0 HG21 THR A 48 -15.031 -6.257 5.723 1.00 0.00 H new ATOM 0 HG22 THR A 48 -16.664 -5.940 6.357 1.00 0.00 H new ATOM 0 HG23 THR A 48 -16.123 -5.150 4.856 1.00 0.00 H new ATOM 718 N ALA A 49 -17.379 -3.970 8.884 1.00 0.00 N ATOM 719 CA ALA A 49 -17.796 -3.890 10.274 1.00 0.00 C ATOM 720 C ALA A 49 -16.719 -4.517 11.162 1.00 0.00 C ATOM 721 O ALA A 49 -16.389 -5.692 11.008 1.00 0.00 O ATOM 722 CB ALA A 49 -19.156 -4.571 10.439 1.00 0.00 C ATOM 0 H ALA A 49 -17.675 -4.816 8.398 1.00 0.00 H new ATOM 0 HA ALA A 49 -17.912 -2.850 10.580 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -19.469 -4.511 11.481 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.892 -4.071 9.810 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -19.077 -5.617 10.143 1.00 0.00 H new ATOM 728 N GLY A 50 -16.201 -3.705 12.072 1.00 0.00 N ATOM 729 CA GLY A 50 -15.168 -4.166 12.984 1.00 0.00 C ATOM 730 C GLY A 50 -13.871 -3.378 12.786 1.00 0.00 C ATOM 731 O GLY A 50 -13.050 -3.289 13.698 1.00 0.00 O ATOM 0 H GLY A 50 -16.477 -2.731 12.197 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -15.511 -4.057 14.013 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.981 -5.228 12.821 1.00 0.00 H new ATOM 735 N CYS A 51 -13.727 -2.828 11.590 1.00 0.00 N ATOM 736 CA CYS A 51 -12.544 -2.051 11.261 1.00 0.00 C ATOM 737 C CYS A 51 -12.942 -0.575 11.193 1.00 0.00 C ATOM 738 O CYS A 51 -13.663 -0.076 12.054 1.00 0.00 O ATOM 739 CB CYS A 51 -11.898 -2.529 9.959 1.00 0.00 C ATOM 740 SG CYS A 51 -11.802 -4.356 9.941 1.00 0.00 S ATOM 0 H CYS A 51 -14.410 -2.905 10.836 1.00 0.00 H new ATOM 0 HA CYS A 51 -11.789 -2.187 12.035 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -12.479 -2.179 9.106 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -10.899 -2.103 9.861 1.00 0.00 H new ATOM 745 N HIS A 52 -12.451 0.093 10.149 1.00 0.00 N ATOM 746 CA HIS A 52 -12.721 1.507 9.915 1.00 0.00 C ATOM 747 C HIS A 52 -14.222 1.711 9.637 1.00 0.00 C ATOM 748 O HIS A 52 -14.639 1.727 8.479 1.00 0.00 O ATOM 749 CB HIS A 52 -11.797 2.013 8.798 1.00 0.00 C ATOM 750 CG HIS A 52 -10.324 1.708 8.945 1.00 0.00 C ATOM 751 ND1 HIS A 52 -9.519 2.415 9.742 1.00 0.00 N ATOM 752 CD2 HIS A 52 -9.536 0.742 8.365 1.00 0.00 C ATOM 753 CE1 HIS A 52 -8.277 1.911 9.663 1.00 0.00 C ATOM 754 NE2 HIS A 52 -8.232 0.876 8.826 1.00 0.00 N ATOM 0 H HIS A 52 -11.854 -0.335 9.441 1.00 0.00 H new ATOM 0 HA HIS A 52 -12.499 2.106 10.798 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -12.140 1.588 7.854 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -11.915 3.094 8.723 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.802 3.209 10.317 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -9.877 -0.004 7.662 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.426 2.294 10.207 1.00 0.00 H new ATOM 762 N ASP A 53 -14.983 1.862 10.711 1.00 0.00 N ATOM 763 CA ASP A 53 -16.417 2.063 10.590 1.00 0.00 C ATOM 764 C ASP A 53 -16.737 3.547 10.783 1.00 0.00 C ATOM 765 O ASP A 53 -17.814 4.007 10.408 1.00 0.00 O ATOM 766 CB ASP A 53 -17.176 1.273 11.658 1.00 0.00 C ATOM 767 CG ASP A 53 -17.082 1.844 13.074 1.00 0.00 C ATOM 768 OD1 ASP A 53 -16.034 2.457 13.371 1.00 0.00 O ATOM 769 OD2 ASP A 53 -18.061 1.655 13.828 1.00 0.00 O ATOM 0 H ASP A 53 -14.633 1.849 11.669 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.724 1.720 9.602 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -18.227 1.222 11.372 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.798 0.251 11.669 1.00 0.00 H new ATOM 774 N SER A 54 -15.782 4.254 11.369 1.00 0.00 N ATOM 775 CA SER A 54 -15.949 5.676 11.617 1.00 0.00 C ATOM 776 C SER A 54 -16.096 6.424 10.290 1.00 0.00 C ATOM 777 O SER A 54 -15.204 6.377 9.445 1.00 0.00 O ATOM 778 CB SER A 54 -14.771 6.238 12.416 1.00 0.00 C ATOM 779 OG SER A 54 -14.615 7.641 12.221 1.00 0.00 O ATOM 0 H SER A 54 -14.890 3.869 11.679 1.00 0.00 H new ATOM 0 HA SER A 54 -16.854 5.817 12.209 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.922 6.034 13.476 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.855 5.727 12.120 1.00 0.00 H new ATOM 0 HG SER A 54 -13.874 7.968 12.773 1.00 0.00 H new ATOM 785 N MET A 55 -17.228 7.098 10.150 1.00 0.00 N ATOM 786 CA MET A 55 -17.503 7.856 8.941 1.00 0.00 C ATOM 787 C MET A 55 -18.130 9.211 9.274 1.00 0.00 C ATOM 788 O MET A 55 -19.257 9.493 8.869 1.00 0.00 O ATOM 789 CB MET A 55 -18.454 7.059 8.045 1.00 0.00 C ATOM 790 CG MET A 55 -17.863 5.691 7.699 1.00 0.00 C ATOM 791 SD MET A 55 -19.104 4.669 6.922 1.00 0.00 S ATOM 792 CE MET A 55 -18.064 3.650 5.889 1.00 0.00 C ATOM 0 H MET A 55 -17.965 7.135 10.854 1.00 0.00 H new ATOM 0 HA MET A 55 -16.561 8.031 8.422 1.00 0.00 H new ATOM 0 HB2 MET A 55 -19.411 6.929 8.550 1.00 0.00 H new ATOM 0 HB3 MET A 55 -18.650 7.617 7.129 1.00 0.00 H new ATOM 0 HG2 MET A 55 -17.010 5.812 7.031 1.00 0.00 H new ATOM 0 HG3 MET A 55 -17.494 5.206 8.603 1.00 0.00 H new ATOM 0 HE1 MET A 55 -18.568 2.706 5.684 1.00 0.00 H new ATOM 0 HE2 MET A 55 -17.866 4.167 4.950 1.00 0.00 H new ATOM 0 HE3 MET A 55 -17.122 3.454 6.401 1.00 0.00 H new ATOM 802 N ASP A 56 -17.373 10.013 10.008 1.00 0.00 N ATOM 803 CA ASP A 56 -17.841 11.332 10.400 1.00 0.00 C ATOM 804 C ASP A 56 -16.801 12.378 9.994 1.00 0.00 C ATOM 805 O ASP A 56 -15.700 12.032 9.569 1.00 0.00 O ATOM 806 CB ASP A 56 -18.034 11.420 11.915 1.00 0.00 C ATOM 807 CG ASP A 56 -18.677 12.717 12.411 1.00 0.00 C ATOM 808 OD1 ASP A 56 -19.310 13.393 11.571 1.00 0.00 O ATOM 809 OD2 ASP A 56 -18.521 13.002 13.618 1.00 0.00 O ATOM 0 H ASP A 56 -16.439 9.775 10.342 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.795 11.513 9.904 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.650 10.580 12.237 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -17.063 11.306 12.397 1.00 0.00 H new ATOM 814 N LYS A 57 -17.188 13.637 10.139 1.00 0.00 N ATOM 815 CA LYS A 57 -16.303 14.736 9.792 1.00 0.00 C ATOM 816 C LYS A 57 -15.814 15.415 11.073 1.00 0.00 C ATOM 817 O LYS A 57 -16.330 16.461 11.462 1.00 0.00 O ATOM 818 CB LYS A 57 -16.992 15.691 8.815 1.00 0.00 C ATOM 819 CG LYS A 57 -15.981 16.647 8.178 1.00 0.00 C ATOM 820 CD LYS A 57 -16.672 17.906 7.653 1.00 0.00 C ATOM 821 CE LYS A 57 -16.628 19.029 8.691 1.00 0.00 C ATOM 822 NZ LYS A 57 -17.650 18.807 9.738 1.00 0.00 N ATOM 0 H LYS A 57 -18.102 13.920 10.492 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.421 14.364 9.270 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -17.497 15.119 8.037 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -17.758 16.262 9.339 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.224 16.923 8.912 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.464 16.144 7.361 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.186 18.236 6.735 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.708 17.679 7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.638 19.074 9.145 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.800 19.989 8.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.834 19.700 10.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.530 18.469 9.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.306 18.096 10.414 1.00 0.00 H new ATOM 836 N LYS A 58 -14.824 14.791 11.695 1.00 0.00 N ATOM 837 CA LYS A 58 -14.259 15.322 12.924 1.00 0.00 C ATOM 838 C LYS A 58 -13.458 14.224 13.627 1.00 0.00 C ATOM 839 O LYS A 58 -12.233 14.182 13.523 1.00 0.00 O ATOM 840 CB LYS A 58 -15.356 15.936 13.795 1.00 0.00 C ATOM 841 CG LYS A 58 -15.342 17.463 13.699 1.00 0.00 C ATOM 842 CD LYS A 58 -16.713 18.048 14.044 1.00 0.00 C ATOM 843 CE LYS A 58 -16.676 18.776 15.389 1.00 0.00 C ATOM 844 NZ LYS A 58 -16.364 20.209 15.194 1.00 0.00 N ATOM 0 H LYS A 58 -14.399 13.922 11.371 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.565 16.134 12.706 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -16.329 15.557 13.482 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -15.215 15.632 14.832 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.590 17.866 14.377 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -15.057 17.765 12.691 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -17.025 18.739 13.261 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -17.455 17.250 14.079 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.637 18.672 15.892 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.927 18.319 16.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.343 20.688 16.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.436 20.303 14.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.094 20.645 14.594 1.00 0.00 H new ATOM 858 N ASP A 59 -14.182 13.363 14.327 1.00 0.00 N ATOM 859 CA ASP A 59 -13.553 12.269 15.047 1.00 0.00 C ATOM 860 C ASP A 59 -12.455 11.655 14.177 1.00 0.00 C ATOM 861 O ASP A 59 -12.694 11.311 13.020 1.00 0.00 O ATOM 862 CB ASP A 59 -14.567 11.170 15.374 1.00 0.00 C ATOM 863 CG ASP A 59 -13.958 9.809 15.715 1.00 0.00 C ATOM 864 OD1 ASP A 59 -12.732 9.781 15.960 1.00 0.00 O ATOM 865 OD2 ASP A 59 -14.731 8.827 15.724 1.00 0.00 O ATOM 0 H ASP A 59 -15.198 13.401 14.411 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.142 12.668 15.974 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.178 11.499 16.215 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.236 11.049 14.522 1.00 0.00 H new ATOM 870 N LYS A 60 -11.274 11.536 14.766 1.00 0.00 N ATOM 871 CA LYS A 60 -10.138 10.970 14.058 1.00 0.00 C ATOM 872 C LYS A 60 -9.913 9.533 14.532 1.00 0.00 C ATOM 873 O LYS A 60 -10.865 8.772 14.693 1.00 0.00 O ATOM 874 CB LYS A 60 -8.909 11.869 14.212 1.00 0.00 C ATOM 875 CG LYS A 60 -9.263 13.333 13.942 1.00 0.00 C ATOM 876 CD LYS A 60 -8.001 14.191 13.837 1.00 0.00 C ATOM 877 CE LYS A 60 -7.463 14.546 15.225 1.00 0.00 C ATOM 878 NZ LYS A 60 -7.551 16.004 15.458 1.00 0.00 N ATOM 0 H LYS A 60 -11.079 11.822 15.726 1.00 0.00 H new ATOM 0 HA LYS A 60 -10.339 10.925 12.988 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.505 11.769 15.219 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.129 11.546 13.522 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -9.836 13.408 13.018 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.899 13.711 14.743 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.238 13.654 13.273 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.222 15.104 13.284 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.031 14.015 15.988 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.427 14.219 15.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.182 16.227 16.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.989 16.505 14.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.544 16.307 15.394 1.00 0.00 H new ATOM 892 N SER A 61 -8.646 9.205 14.743 1.00 0.00 N ATOM 893 CA SER A 61 -8.283 7.873 15.195 1.00 0.00 C ATOM 894 C SER A 61 -8.122 6.939 13.994 1.00 0.00 C ATOM 895 O SER A 61 -8.505 7.286 12.877 1.00 0.00 O ATOM 896 CB SER A 61 -9.328 7.316 16.163 1.00 0.00 C ATOM 897 OG SER A 61 -8.753 6.425 17.115 1.00 0.00 O ATOM 0 H SER A 61 -7.858 9.839 14.609 1.00 0.00 H new ATOM 0 HA SER A 61 -7.334 7.939 15.726 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.814 8.140 16.685 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.102 6.795 15.600 1.00 0.00 H new ATOM 0 HG SER A 61 -9.452 6.092 17.716 1.00 0.00 H new ATOM 903 N ALA A 62 -7.554 5.773 14.263 1.00 0.00 N ATOM 904 CA ALA A 62 -7.337 4.787 13.219 1.00 0.00 C ATOM 905 C ALA A 62 -8.689 4.310 12.685 1.00 0.00 C ATOM 906 O ALA A 62 -8.807 3.954 11.514 1.00 0.00 O ATOM 907 CB ALA A 62 -6.489 3.638 13.769 1.00 0.00 C ATOM 0 H ALA A 62 -7.237 5.489 15.190 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.789 5.226 12.385 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.326 2.898 12.985 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.528 4.025 14.108 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.008 3.171 14.606 1.00 0.00 H new ATOM 913 N LYS A 63 -9.675 4.319 13.570 1.00 0.00 N ATOM 914 CA LYS A 63 -11.014 3.891 13.203 1.00 0.00 C ATOM 915 C LYS A 63 -11.547 4.796 12.090 1.00 0.00 C ATOM 916 O LYS A 63 -12.350 4.364 11.264 1.00 0.00 O ATOM 917 CB LYS A 63 -11.917 3.838 14.436 1.00 0.00 C ATOM 918 CG LYS A 63 -11.737 2.519 15.191 1.00 0.00 C ATOM 919 CD LYS A 63 -11.519 2.767 16.685 1.00 0.00 C ATOM 920 CE LYS A 63 -10.065 2.497 17.078 1.00 0.00 C ATOM 921 NZ LYS A 63 -9.859 1.056 17.347 1.00 0.00 N ATOM 0 H LYS A 63 -9.573 4.616 14.540 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.994 2.876 12.807 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.686 4.674 15.097 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.958 3.949 14.134 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.616 1.891 15.048 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.886 1.975 14.781 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.780 3.797 16.928 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.182 2.124 17.265 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.400 2.822 16.278 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.807 3.079 17.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.867 0.891 17.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.480 0.756 18.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.085 0.508 16.493 1.00 0.00 H new ATOM 935 N GLY A 64 -11.078 6.035 12.103 1.00 0.00 N ATOM 936 CA GLY A 64 -11.497 7.005 11.105 1.00 0.00 C ATOM 937 C GLY A 64 -11.319 6.448 9.691 1.00 0.00 C ATOM 938 O GLY A 64 -10.211 6.190 9.225 1.00 0.00 O ATOM 0 H GLY A 64 -10.412 6.390 12.789 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.542 7.270 11.266 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.915 7.920 11.215 1.00 0.00 H new ATOM 942 N TYR A 65 -12.452 6.266 9.010 1.00 0.00 N ATOM 943 CA TYR A 65 -12.455 5.744 7.658 1.00 0.00 C ATOM 944 C TYR A 65 -11.780 6.735 6.721 1.00 0.00 C ATOM 945 O TYR A 65 -10.913 6.360 5.935 1.00 0.00 O ATOM 946 CB TYR A 65 -13.892 5.478 7.220 1.00 0.00 C ATOM 947 CG TYR A 65 -13.995 4.668 5.950 1.00 0.00 C ATOM 948 CD1 TYR A 65 -12.972 3.777 5.603 1.00 0.00 C ATOM 949 CD2 TYR A 65 -15.113 4.807 5.119 1.00 0.00 C ATOM 950 CE1 TYR A 65 -13.067 3.026 4.426 1.00 0.00 C ATOM 951 CE2 TYR A 65 -15.208 4.055 3.942 1.00 0.00 C ATOM 952 CZ TYR A 65 -14.185 3.165 3.595 1.00 0.00 C ATOM 953 OH TYR A 65 -14.278 2.432 2.448 1.00 0.00 O ATOM 0 H TYR A 65 -13.378 6.476 9.382 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.899 4.807 7.624 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -14.416 4.954 8.019 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.402 6.431 7.076 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -12.109 3.669 6.244 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.902 5.494 5.386 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -12.278 2.339 4.159 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.071 4.162 3.301 1.00 0.00 H new ATOM 0 HH TYR A 65 -14.633 2.994 1.728 1.00 0.00 H new ATOM 963 N TYR A 66 -12.180 8.006 6.806 1.00 0.00 N ATOM 964 CA TYR A 66 -11.614 9.042 5.966 1.00 0.00 C ATOM 965 C TYR A 66 -10.258 9.466 6.512 1.00 0.00 C ATOM 966 O TYR A 66 -9.614 10.321 5.905 1.00 0.00 O ATOM 967 CB TYR A 66 -12.571 10.229 5.911 1.00 0.00 C ATOM 968 CG TYR A 66 -11.907 11.520 5.493 1.00 0.00 C ATOM 969 CD1 TYR A 66 -11.171 12.262 6.424 1.00 0.00 C ATOM 970 CD2 TYR A 66 -12.027 11.974 4.174 1.00 0.00 C ATOM 971 CE1 TYR A 66 -10.556 13.459 6.037 1.00 0.00 C ATOM 972 CE2 TYR A 66 -11.412 13.170 3.787 1.00 0.00 C ATOM 973 CZ TYR A 66 -10.677 13.913 4.718 1.00 0.00 C ATOM 974 OH TYR A 66 -10.078 15.078 4.341 1.00 0.00 O ATOM 0 H TYR A 66 -12.897 8.334 7.453 1.00 0.00 H new ATOM 0 HA TYR A 66 -11.472 8.659 4.955 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -13.378 10.003 5.214 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -13.026 10.365 6.892 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -11.077 11.911 7.441 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -12.594 11.401 3.455 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.989 14.032 6.756 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -11.505 13.520 2.769 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.260 15.247 3.393 1.00 0.00 H new ATOM 984 N HIS A 67 -9.856 8.874 7.627 1.00 0.00 N ATOM 985 CA HIS A 67 -8.577 9.206 8.232 1.00 0.00 C ATOM 986 C HIS A 67 -7.526 8.179 7.806 1.00 0.00 C ATOM 987 O HIS A 67 -6.332 8.381 8.024 1.00 0.00 O ATOM 988 CB HIS A 67 -8.709 9.325 9.751 1.00 0.00 C ATOM 989 CG HIS A 67 -7.410 9.135 10.497 1.00 0.00 C ATOM 990 ND1 HIS A 67 -6.550 10.181 10.783 1.00 0.00 N ATOM 991 CD2 HIS A 67 -6.834 8.012 11.013 1.00 0.00 C ATOM 992 CE1 HIS A 67 -5.507 9.698 11.440 1.00 0.00 C ATOM 993 NE2 HIS A 67 -5.684 8.352 11.582 1.00 0.00 N ATOM 0 H HIS A 67 -10.394 8.166 8.127 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.245 10.182 7.878 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -9.116 10.307 9.994 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.429 8.586 10.102 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -6.695 11.158 10.530 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.244 7.014 10.967 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.664 10.269 11.800 1.00 0.00 H new ATOM 1001 N VAL A 68 -8.008 7.101 7.206 1.00 0.00 N ATOM 1002 CA VAL A 68 -7.125 6.042 6.748 1.00 0.00 C ATOM 1003 C VAL A 68 -7.016 6.099 5.223 1.00 0.00 C ATOM 1004 O VAL A 68 -6.564 5.144 4.593 1.00 0.00 O ATOM 1005 CB VAL A 68 -7.620 4.688 7.261 1.00 0.00 C ATOM 1006 CG1 VAL A 68 -7.448 4.581 8.778 1.00 0.00 C ATOM 1007 CG2 VAL A 68 -9.076 4.448 6.857 1.00 0.00 C ATOM 0 H VAL A 68 -8.999 6.938 7.026 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.122 6.180 7.152 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.011 3.911 6.798 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.807 3.609 9.117 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.394 4.687 9.033 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.020 5.370 9.266 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.403 3.479 7.234 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.705 5.232 7.279 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.159 4.461 5.770 1.00 0.00 H new ATOM 1017 N MET A 69 -7.438 7.228 4.673 1.00 0.00 N ATOM 1018 CA MET A 69 -7.393 7.423 3.234 1.00 0.00 C ATOM 1019 C MET A 69 -7.263 8.906 2.884 1.00 0.00 C ATOM 1020 O MET A 69 -7.724 9.349 1.835 1.00 0.00 O ATOM 1021 CB MET A 69 -8.668 6.859 2.603 1.00 0.00 C ATOM 1022 CG MET A 69 -9.729 6.578 3.669 1.00 0.00 C ATOM 1023 SD MET A 69 -11.023 5.555 2.987 1.00 0.00 S ATOM 1024 CE MET A 69 -10.484 3.951 3.557 1.00 0.00 C ATOM 0 H MET A 69 -7.813 8.018 5.199 1.00 0.00 H new ATOM 0 HA MET A 69 -6.520 6.900 2.843 1.00 0.00 H new ATOM 0 HB2 MET A 69 -9.060 7.566 1.872 1.00 0.00 H new ATOM 0 HB3 MET A 69 -8.436 5.940 2.065 1.00 0.00 H new ATOM 0 HG2 MET A 69 -9.273 6.080 4.525 1.00 0.00 H new ATOM 0 HG3 MET A 69 -10.149 7.516 4.032 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.906 3.177 2.917 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.396 3.899 3.520 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.820 3.797 4.582 1.00 0.00 H new ATOM 1034 N HIS A 70 -6.626 9.646 3.793 1.00 0.00 N ATOM 1035 CA HIS A 70 -6.406 11.079 3.635 1.00 0.00 C ATOM 1036 C HIS A 70 -5.181 11.512 4.461 1.00 0.00 C ATOM 1037 O HIS A 70 -4.123 11.792 3.898 1.00 0.00 O ATOM 1038 CB HIS A 70 -7.702 11.823 3.989 1.00 0.00 C ATOM 1039 CG HIS A 70 -8.886 11.597 3.077 1.00 0.00 C ATOM 1040 ND1 HIS A 70 -9.726 10.570 3.231 1.00 0.00 N ATOM 1041 CD2 HIS A 70 -9.342 12.306 1.991 1.00 0.00 C ATOM 1042 CE1 HIS A 70 -10.670 10.636 2.278 1.00 0.00 C ATOM 1043 NE2 HIS A 70 -10.479 11.689 1.485 1.00 0.00 N ATOM 0 H HIS A 70 -6.248 9.265 4.660 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.171 11.335 2.602 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.992 11.538 5.000 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.487 12.891 4.008 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -9.661 9.853 3.954 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.888 13.202 1.594 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.478 9.928 2.169 1.00 0.00 H new ATOM 1051 N ASP A 71 -5.366 11.550 5.772 1.00 0.00 N ATOM 1052 CA ASP A 71 -4.292 11.940 6.669 1.00 0.00 C ATOM 1053 C ASP A 71 -3.000 11.236 6.248 1.00 0.00 C ATOM 1054 O ASP A 71 -3.039 10.132 5.708 1.00 0.00 O ATOM 1055 CB ASP A 71 -4.603 11.535 8.111 1.00 0.00 C ATOM 1056 CG ASP A 71 -4.975 12.691 9.042 1.00 0.00 C ATOM 1057 OD1 ASP A 71 -5.324 13.763 8.503 1.00 0.00 O ATOM 1058 OD2 ASP A 71 -4.903 12.476 10.271 1.00 0.00 O ATOM 0 H ASP A 71 -6.244 11.317 6.235 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.185 13.023 6.614 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.423 10.817 8.102 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.735 11.021 8.523 1.00 0.00 H new ATOM 1063 N LYS A 72 -1.887 11.904 6.511 1.00 0.00 N ATOM 1064 CA LYS A 72 -0.586 11.356 6.167 1.00 0.00 C ATOM 1065 C LYS A 72 0.180 11.026 7.449 1.00 0.00 C ATOM 1066 O LYS A 72 1.183 10.315 7.412 1.00 0.00 O ATOM 1067 CB LYS A 72 0.164 12.305 5.229 1.00 0.00 C ATOM 1068 CG LYS A 72 0.624 13.560 5.973 1.00 0.00 C ATOM 1069 CD LYS A 72 2.127 13.783 5.795 1.00 0.00 C ATOM 1070 CE LYS A 72 2.540 15.166 6.301 1.00 0.00 C ATOM 1071 NZ LYS A 72 3.985 15.191 6.620 1.00 0.00 N ATOM 0 H LYS A 72 -1.859 12.820 6.959 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.700 10.423 5.615 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.027 11.794 4.802 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.482 12.587 4.398 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.078 14.427 5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.390 13.465 7.033 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.679 13.014 6.336 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.391 13.683 4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.315 15.918 5.545 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.961 15.423 7.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.249 16.137 6.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.190 14.487 7.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.533 14.967 5.765 1.00 0.00 H new ATOM 1085 N ASN A 73 -0.322 11.560 8.554 1.00 0.00 N ATOM 1086 CA ASN A 73 0.303 11.331 9.846 1.00 0.00 C ATOM 1087 C ASN A 73 -0.261 10.048 10.460 1.00 0.00 C ATOM 1088 O ASN A 73 -0.620 10.025 11.636 1.00 0.00 O ATOM 1089 CB ASN A 73 0.014 12.484 10.809 1.00 0.00 C ATOM 1090 CG ASN A 73 0.918 13.683 10.517 1.00 0.00 C ATOM 1091 OD1 ASN A 73 1.561 13.771 9.484 1.00 0.00 O ATOM 1092 ND2 ASN A 73 0.932 14.598 11.481 1.00 0.00 N ATOM 0 H ASN A 73 -1.154 12.150 8.581 1.00 0.00 H new ATOM 0 HA ASN A 73 1.379 11.252 9.691 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.031 12.782 10.722 1.00 0.00 H new ATOM 0 HB3 ASN A 73 0.166 12.151 11.836 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.505 15.436 11.381 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.370 14.462 12.321 1.00 0.00 H new ATOM 1099 N THR A 74 -0.322 9.012 9.637 1.00 0.00 N ATOM 1100 CA THR A 74 -0.836 7.729 10.085 1.00 0.00 C ATOM 1101 C THR A 74 0.259 6.663 10.017 1.00 0.00 C ATOM 1102 O THR A 74 1.293 6.869 9.383 1.00 0.00 O ATOM 1103 CB THR A 74 -2.065 7.391 9.239 1.00 0.00 C ATOM 1104 OG1 THR A 74 -1.635 7.609 7.898 1.00 0.00 O ATOM 1105 CG2 THR A 74 -3.204 8.395 9.433 1.00 0.00 C ATOM 0 H THR A 74 -0.024 9.035 8.662 1.00 0.00 H new ATOM 0 HA THR A 74 -1.143 7.769 11.130 1.00 0.00 H new ATOM 0 HB THR A 74 -2.416 6.391 9.493 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.704 6.772 7.392 1.00 0.00 H new ATOM 0 HG21 THR A 74 -4.051 8.109 8.810 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.509 8.402 10.480 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.864 9.391 9.148 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.004 5.547 10.681 1.00 0.00 N ATOM 1114 CA LYS A 75 0.946 4.448 10.704 1.00 0.00 C ATOM 1115 C LYS A 75 1.174 3.946 9.277 1.00 0.00 C ATOM 1116 O LYS A 75 2.300 3.626 8.900 1.00 0.00 O ATOM 1117 CB LYS A 75 0.482 3.359 11.673 1.00 0.00 C ATOM 1118 CG LYS A 75 1.560 2.288 11.852 1.00 0.00 C ATOM 1119 CD LYS A 75 2.490 2.636 13.016 1.00 0.00 C ATOM 1120 CE LYS A 75 3.770 3.306 12.514 1.00 0.00 C ATOM 1121 NZ LYS A 75 4.330 4.199 13.552 1.00 0.00 N ATOM 0 H LYS A 75 -0.862 5.380 11.207 1.00 0.00 H new ATOM 0 HA LYS A 75 1.911 4.787 11.080 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.243 3.804 12.639 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.433 2.900 11.299 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.091 1.321 12.033 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.140 2.194 10.934 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.976 3.300 13.711 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.742 1.731 13.568 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.504 2.546 12.246 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.558 3.877 11.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.198 4.645 13.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.635 4.935 13.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.551 3.645 14.404 1.00 0.00 H new ATOM 1135 N PHE A 76 0.086 3.892 8.522 1.00 0.00 N ATOM 1136 CA PHE A 76 0.153 3.434 7.145 1.00 0.00 C ATOM 1137 C PHE A 76 -0.138 4.578 6.172 1.00 0.00 C ATOM 1138 O PHE A 76 -0.777 5.563 6.539 1.00 0.00 O ATOM 1139 CB PHE A 76 -0.918 2.354 6.980 1.00 0.00 C ATOM 1140 CG PHE A 76 -0.810 1.211 7.991 1.00 0.00 C ATOM 1141 CD1 PHE A 76 0.402 0.658 8.265 1.00 0.00 C ATOM 1142 CD2 PHE A 76 -1.926 0.747 8.614 1.00 0.00 C ATOM 1143 CE1 PHE A 76 0.502 -0.404 9.203 1.00 0.00 C ATOM 1144 CE2 PHE A 76 -1.826 -0.315 9.552 1.00 0.00 C ATOM 1145 CZ PHE A 76 -0.614 -0.868 9.827 1.00 0.00 C ATOM 0 H PHE A 76 -0.847 4.158 8.838 1.00 0.00 H new ATOM 0 HA PHE A 76 1.151 3.053 6.928 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.901 2.815 7.072 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.852 1.942 5.973 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.288 1.026 7.770 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -2.888 1.186 8.396 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.464 -0.843 9.421 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -2.712 -0.683 10.047 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.538 -1.675 10.541 1.00 0.00 H new ATOM 1155 N LYS A 77 0.345 4.410 4.949 1.00 0.00 N ATOM 1156 CA LYS A 77 0.144 5.416 3.921 1.00 0.00 C ATOM 1157 C LYS A 77 -1.344 5.492 3.571 1.00 0.00 C ATOM 1158 O LYS A 77 -2.089 4.542 3.805 1.00 0.00 O ATOM 1159 CB LYS A 77 1.045 5.138 2.716 1.00 0.00 C ATOM 1160 CG LYS A 77 2.467 4.790 3.164 1.00 0.00 C ATOM 1161 CD LYS A 77 3.501 5.616 2.395 1.00 0.00 C ATOM 1162 CE LYS A 77 4.794 5.760 3.200 1.00 0.00 C ATOM 1163 NZ LYS A 77 5.864 4.919 2.618 1.00 0.00 N ATOM 0 H LYS A 77 0.875 3.592 4.648 1.00 0.00 H new ATOM 0 HA LYS A 77 0.436 6.400 4.289 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.633 4.316 2.131 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.068 6.012 2.065 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.571 4.975 4.233 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.653 3.728 3.004 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.715 5.139 1.439 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.093 6.603 2.175 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.109 6.804 3.210 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.618 5.470 4.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.734 5.029 3.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.568 3.922 2.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.043 5.214 1.637 1.00 0.00 H new ATOM 1177 N SER A 78 -1.731 6.631 3.016 1.00 0.00 N ATOM 1178 CA SER A 78 -3.116 6.843 2.631 1.00 0.00 C ATOM 1179 C SER A 78 -3.219 6.999 1.113 1.00 0.00 C ATOM 1180 O SER A 78 -2.430 6.416 0.370 1.00 0.00 O ATOM 1181 CB SER A 78 -3.700 8.071 3.332 1.00 0.00 C ATOM 1182 OG SER A 78 -3.336 9.283 2.677 1.00 0.00 O ATOM 0 H SER A 78 -1.110 7.417 2.824 1.00 0.00 H new ATOM 0 HA SER A 78 -3.694 5.972 2.940 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.786 7.988 3.363 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.352 8.098 4.365 1.00 0.00 H new ATOM 0 HG SER A 78 -3.260 10.002 3.338 1.00 0.00 H new ATOM 1188 N CYS A 79 -4.198 7.789 0.696 1.00 0.00 N ATOM 1189 CA CYS A 79 -4.415 8.028 -0.721 1.00 0.00 C ATOM 1190 C CYS A 79 -3.927 9.441 -1.049 1.00 0.00 C ATOM 1191 O CYS A 79 -3.319 9.664 -2.094 1.00 0.00 O ATOM 1192 CB CYS A 79 -5.880 7.826 -1.111 1.00 0.00 C ATOM 1193 SG CYS A 79 -6.544 6.157 -0.760 1.00 0.00 S ATOM 0 H CYS A 79 -4.850 8.272 1.315 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.849 7.303 -1.306 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -6.487 8.562 -0.583 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -5.989 8.029 -2.176 1.00 0.00 H new ATOM 1198 N VAL A 80 -4.212 10.358 -0.136 1.00 0.00 N ATOM 1199 CA VAL A 80 -3.809 11.743 -0.315 1.00 0.00 C ATOM 1200 C VAL A 80 -2.338 11.896 0.074 1.00 0.00 C ATOM 1201 O VAL A 80 -1.627 12.730 -0.486 1.00 0.00 O ATOM 1202 CB VAL A 80 -4.737 12.664 0.479 1.00 0.00 C ATOM 1203 CG1 VAL A 80 -4.245 14.112 0.430 1.00 0.00 C ATOM 1204 CG2 VAL A 80 -6.178 12.558 -0.024 1.00 0.00 C ATOM 0 H VAL A 80 -4.717 10.169 0.730 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.900 12.036 -1.361 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.721 12.339 1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.922 14.746 1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.244 14.171 0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.217 14.452 -0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.816 13.223 0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.218 12.844 -1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.527 11.531 0.086 1.00 0.00 H new ATOM 1214 N GLY A 81 -1.923 11.079 1.031 1.00 0.00 N ATOM 1215 CA GLY A 81 -0.549 11.113 1.502 1.00 0.00 C ATOM 1216 C GLY A 81 0.431 10.883 0.349 1.00 0.00 C ATOM 1217 O GLY A 81 1.126 11.806 -0.073 1.00 0.00 O ATOM 0 H GLY A 81 -2.515 10.389 1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.345 12.076 1.971 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.403 10.349 2.266 1.00 0.00 H new ATOM 1221 N CYS A 82 0.455 9.647 -0.127 1.00 0.00 N ATOM 1222 CA CYS A 82 1.337 9.283 -1.222 1.00 0.00 C ATOM 1223 C CYS A 82 1.263 10.382 -2.284 1.00 0.00 C ATOM 1224 O CYS A 82 2.286 10.840 -2.790 1.00 0.00 O ATOM 1225 CB CYS A 82 0.989 7.909 -1.798 1.00 0.00 C ATOM 1226 SG CYS A 82 2.382 7.281 -2.805 1.00 0.00 S ATOM 0 H CYS A 82 -0.123 8.884 0.226 1.00 0.00 H new ATOM 0 HA CYS A 82 2.360 9.201 -0.855 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.771 7.211 -0.989 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.090 7.979 -2.410 1.00 0.00 H new ATOM 1231 N HIS A 83 0.030 10.782 -2.596 1.00 0.00 N ATOM 1232 CA HIS A 83 -0.240 11.819 -3.586 1.00 0.00 C ATOM 1233 C HIS A 83 0.459 13.128 -3.171 1.00 0.00 C ATOM 1234 O HIS A 83 0.940 13.869 -4.027 1.00 0.00 O ATOM 1235 CB HIS A 83 -1.759 11.946 -3.772 1.00 0.00 C ATOM 1236 CG HIS A 83 -2.428 10.895 -4.629 1.00 0.00 C ATOM 1237 ND1 HIS A 83 -3.510 11.153 -5.369 1.00 0.00 N ATOM 1238 CD2 HIS A 83 -2.129 9.570 -4.837 1.00 0.00 C ATOM 1239 CE1 HIS A 83 -3.871 10.033 -6.014 1.00 0.00 C ATOM 1240 NE2 HIS A 83 -3.052 9.025 -5.721 1.00 0.00 N ATOM 0 H HIS A 83 -0.810 10.394 -2.167 1.00 0.00 H new ATOM 0 HA HIS A 83 0.173 11.558 -4.560 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -2.225 11.929 -2.787 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -1.968 12.923 -4.207 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -3.984 12.054 -5.433 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.306 9.036 -4.385 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.715 9.959 -6.683 1.00 0.00 H new ATOM 1248 N VAL A 84 0.491 13.365 -1.868 1.00 0.00 N ATOM 1249 CA VAL A 84 1.120 14.564 -1.342 1.00 0.00 C ATOM 1250 C VAL A 84 2.635 14.463 -1.527 1.00 0.00 C ATOM 1251 O VAL A 84 3.284 15.436 -1.909 1.00 0.00 O ATOM 1252 CB VAL A 84 0.709 14.774 0.117 1.00 0.00 C ATOM 1253 CG1 VAL A 84 1.507 15.913 0.754 1.00 0.00 C ATOM 1254 CG2 VAL A 84 -0.796 15.027 0.232 1.00 0.00 C ATOM 0 H VAL A 84 0.092 12.747 -1.161 1.00 0.00 H new ATOM 0 HA VAL A 84 0.783 15.444 -1.891 1.00 0.00 H new ATOM 0 HB VAL A 84 0.938 13.859 0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.195 16.041 1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.570 15.675 0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.325 16.836 0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.061 15.173 1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.060 15.919 -0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.340 14.170 -0.164 1.00 0.00 H new ATOM 1264 N GLU A 85 3.155 13.277 -1.248 1.00 0.00 N ATOM 1265 CA GLU A 85 4.582 13.036 -1.379 1.00 0.00 C ATOM 1266 C GLU A 85 4.969 12.929 -2.856 1.00 0.00 C ATOM 1267 O GLU A 85 6.145 12.779 -3.184 1.00 0.00 O ATOM 1268 CB GLU A 85 4.999 11.780 -0.611 1.00 0.00 C ATOM 1269 CG GLU A 85 5.865 12.139 0.598 1.00 0.00 C ATOM 1270 CD GLU A 85 7.061 12.998 0.181 1.00 0.00 C ATOM 1271 OE1 GLU A 85 7.951 12.441 -0.498 1.00 0.00 O ATOM 1272 OE2 GLU A 85 7.057 14.193 0.549 1.00 0.00 O ATOM 0 H GLU A 85 2.614 12.472 -0.932 1.00 0.00 H new ATOM 0 HA GLU A 85 5.115 13.882 -0.944 1.00 0.00 H new ATOM 0 HB2 GLU A 85 4.112 11.240 -0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.550 11.111 -1.272 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.265 12.677 1.332 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.218 11.228 1.080 1.00 0.00 H new ATOM 1279 N VAL A 86 3.957 13.010 -3.707 1.00 0.00 N ATOM 1280 CA VAL A 86 4.176 12.924 -5.141 1.00 0.00 C ATOM 1281 C VAL A 86 3.850 14.273 -5.784 1.00 0.00 C ATOM 1282 O VAL A 86 4.705 14.883 -6.425 1.00 0.00 O ATOM 1283 CB VAL A 86 3.361 11.769 -5.727 1.00 0.00 C ATOM 1284 CG1 VAL A 86 3.515 11.706 -7.247 1.00 0.00 C ATOM 1285 CG2 VAL A 86 3.751 10.439 -5.080 1.00 0.00 C ATOM 0 H VAL A 86 2.983 13.134 -3.431 1.00 0.00 H new ATOM 0 HA VAL A 86 5.222 12.706 -5.355 1.00 0.00 H new ATOM 0 HB VAL A 86 2.310 11.953 -5.504 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.926 10.877 -7.638 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.165 12.640 -7.687 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.565 11.557 -7.500 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.157 9.635 -5.514 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.809 10.245 -5.257 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.565 10.488 -4.007 1.00 0.00 H new ATOM 1295 N ALA A 87 2.610 14.700 -5.591 1.00 0.00 N ATOM 1296 CA ALA A 87 2.160 15.966 -6.144 1.00 0.00 C ATOM 1297 C ALA A 87 2.686 17.112 -5.278 1.00 0.00 C ATOM 1298 O ALA A 87 1.910 17.930 -4.786 1.00 0.00 O ATOM 1299 CB ALA A 87 0.633 15.965 -6.246 1.00 0.00 C ATOM 0 H ALA A 87 1.903 14.192 -5.059 1.00 0.00 H new ATOM 0 HA ALA A 87 2.554 16.106 -7.151 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.295 16.915 -6.661 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.312 15.151 -6.896 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.202 15.829 -5.254 1.00 0.00 H new ATOM 1305 N GLY A 88 4.001 17.135 -5.118 1.00 0.00 N ATOM 1306 CA GLY A 88 4.640 18.168 -4.320 1.00 0.00 C ATOM 1307 C GLY A 88 5.785 18.827 -5.091 1.00 0.00 C ATOM 1308 O GLY A 88 6.714 19.365 -4.491 1.00 0.00 O ATOM 0 H GLY A 88 4.642 16.455 -5.527 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.905 18.922 -4.039 1.00 0.00 H new ATOM 0 HA3 GLY A 88 5.022 17.734 -3.396 1.00 0.00 H new ATOM 1312 N ALA A 89 5.681 18.763 -6.411 1.00 0.00 N ATOM 1313 CA ALA A 89 6.697 19.347 -7.271 1.00 0.00 C ATOM 1314 C ALA A 89 6.089 20.517 -8.048 1.00 0.00 C ATOM 1315 O ALA A 89 6.787 21.473 -8.383 1.00 0.00 O ATOM 1316 CB ALA A 89 7.267 18.268 -8.193 1.00 0.00 C ATOM 0 H ALA A 89 4.909 18.316 -6.906 1.00 0.00 H new ATOM 0 HA ALA A 89 7.524 19.739 -6.678 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.029 18.706 -8.838 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.712 17.474 -7.593 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.467 17.854 -8.806 1.00 0.00 H new ATOM 1322 N ASP A 90 4.796 20.403 -8.311 1.00 0.00 N ATOM 1323 CA ASP A 90 4.087 21.439 -9.042 1.00 0.00 C ATOM 1324 C ASP A 90 2.848 21.860 -8.249 1.00 0.00 C ATOM 1325 O ASP A 90 2.285 21.062 -7.501 1.00 0.00 O ATOM 1326 CB ASP A 90 3.623 20.930 -10.409 1.00 0.00 C ATOM 1327 CG ASP A 90 3.351 22.021 -11.446 1.00 0.00 C ATOM 1328 OD1 ASP A 90 3.357 23.203 -11.042 1.00 0.00 O ATOM 1329 OD2 ASP A 90 3.142 21.647 -12.621 1.00 0.00 O ATOM 0 H ASP A 90 4.221 19.609 -8.031 1.00 0.00 H new ATOM 0 HA ASP A 90 4.768 22.279 -9.182 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.381 20.254 -10.805 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.714 20.344 -10.273 1.00 0.00 H new ATOM 1334 N ALA A 91 2.459 23.112 -8.440 1.00 0.00 N ATOM 1335 CA ALA A 91 1.298 23.649 -7.752 1.00 0.00 C ATOM 1336 C ALA A 91 0.088 23.598 -8.687 1.00 0.00 C ATOM 1337 O ALA A 91 -0.818 24.424 -8.582 1.00 0.00 O ATOM 1338 CB ALA A 91 1.601 25.068 -7.267 1.00 0.00 C ATOM 0 H ALA A 91 2.928 23.770 -9.062 1.00 0.00 H new ATOM 0 HA ALA A 91 1.062 23.049 -6.873 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.729 25.470 -6.751 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.449 25.045 -6.583 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.841 25.701 -8.121 1.00 0.00 H new ATOM 1344 N ALA A 92 0.112 22.621 -9.581 1.00 0.00 N ATOM 1345 CA ALA A 92 -0.972 22.452 -10.534 1.00 0.00 C ATOM 1346 C ALA A 92 -1.686 21.127 -10.259 1.00 0.00 C ATOM 1347 O ALA A 92 -2.875 21.112 -9.944 1.00 0.00 O ATOM 1348 CB ALA A 92 -0.417 22.531 -11.958 1.00 0.00 C ATOM 0 H ALA A 92 0.865 21.938 -9.666 1.00 0.00 H new ATOM 0 HA ALA A 92 -1.706 23.250 -10.425 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.230 22.404 -12.673 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.053 23.502 -12.112 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.322 21.743 -12.105 1.00 0.00 H new ATOM 1354 N LYS A 93 -0.930 20.046 -10.389 1.00 0.00 N ATOM 1355 CA LYS A 93 -1.475 18.720 -10.158 1.00 0.00 C ATOM 1356 C LYS A 93 -1.929 18.606 -8.701 1.00 0.00 C ATOM 1357 O LYS A 93 -2.788 17.788 -8.377 1.00 0.00 O ATOM 1358 CB LYS A 93 -0.467 17.646 -10.574 1.00 0.00 C ATOM 1359 CG LYS A 93 -1.179 16.412 -11.130 1.00 0.00 C ATOM 1360 CD LYS A 93 -0.213 15.232 -11.258 1.00 0.00 C ATOM 1361 CE LYS A 93 0.901 15.543 -12.259 1.00 0.00 C ATOM 1362 NZ LYS A 93 0.341 16.154 -13.485 1.00 0.00 N ATOM 0 H LYS A 93 0.056 20.062 -10.651 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.355 18.557 -10.780 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.210 18.050 -11.327 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.143 17.363 -9.716 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.007 16.140 -10.475 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.607 16.643 -12.105 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.221 15.005 -10.284 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.758 14.344 -11.579 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.626 16.220 -11.807 1.00 0.00 H new ATOM 0 HE3 LYS A 93 1.435 14.628 -12.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.027 16.065 -14.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.540 15.667 -13.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.142 17.160 -13.312 1.00 0.00 H new ATOM 1376 N LYS A 94 -1.331 19.439 -7.862 1.00 0.00 N ATOM 1377 CA LYS A 94 -1.662 19.442 -6.447 1.00 0.00 C ATOM 1378 C LYS A 94 -3.165 19.679 -6.281 1.00 0.00 C ATOM 1379 O LYS A 94 -3.724 19.414 -5.218 1.00 0.00 O ATOM 1380 CB LYS A 94 -0.794 20.452 -5.695 1.00 0.00 C ATOM 1381 CG LYS A 94 -1.507 21.799 -5.565 1.00 0.00 C ATOM 1382 CD LYS A 94 -2.379 21.839 -4.308 1.00 0.00 C ATOM 1383 CE LYS A 94 -2.464 23.258 -3.744 1.00 0.00 C ATOM 1384 NZ LYS A 94 -1.380 23.492 -2.763 1.00 0.00 N ATOM 0 H LYS A 94 -0.619 20.117 -8.135 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.439 18.472 -6.002 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.556 20.065 -4.704 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.152 20.586 -6.220 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.771 22.602 -5.527 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.124 21.974 -6.446 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.380 21.477 -4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.967 21.168 -3.554 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.391 23.983 -4.555 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.433 23.409 -3.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -1.452 24.460 -2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -1.467 22.812 -1.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.458 23.368 -3.228 1.00 0.00 H new ATOM 1398 N LYS A 95 -3.775 20.174 -7.347 1.00 0.00 N ATOM 1399 CA LYS A 95 -5.202 20.450 -7.332 1.00 0.00 C ATOM 1400 C LYS A 95 -5.939 19.343 -8.087 1.00 0.00 C ATOM 1401 O LYS A 95 -7.101 19.506 -8.457 1.00 0.00 O ATOM 1402 CB LYS A 95 -5.482 21.854 -7.872 1.00 0.00 C ATOM 1403 CG LYS A 95 -6.522 22.575 -7.011 1.00 0.00 C ATOM 1404 CD LYS A 95 -5.855 23.321 -5.854 1.00 0.00 C ATOM 1405 CE LYS A 95 -6.588 23.058 -4.537 1.00 0.00 C ATOM 1406 NZ LYS A 95 -6.641 24.290 -3.719 1.00 0.00 N ATOM 0 H LYS A 95 -3.308 20.391 -8.227 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.580 20.445 -6.310 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.558 22.431 -7.892 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.838 21.788 -8.900 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.084 23.278 -7.626 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -7.238 21.853 -6.618 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.815 23.006 -5.765 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.847 24.391 -6.063 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -7.599 22.706 -4.741 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.081 22.268 -3.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.142 24.094 -2.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.674 24.609 -3.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -7.145 25.033 -4.243 1.00 0.00 H new ATOM 1420 N ASP A 96 -5.233 18.240 -8.295 1.00 0.00 N ATOM 1421 CA ASP A 96 -5.806 17.106 -8.999 1.00 0.00 C ATOM 1422 C ASP A 96 -5.572 15.833 -8.183 1.00 0.00 C ATOM 1423 O ASP A 96 -6.473 15.009 -8.041 1.00 0.00 O ATOM 1424 CB ASP A 96 -5.147 16.919 -10.368 1.00 0.00 C ATOM 1425 CG ASP A 96 -4.902 18.210 -11.150 1.00 0.00 C ATOM 1426 OD1 ASP A 96 -4.531 19.208 -10.496 1.00 0.00 O ATOM 1427 OD2 ASP A 96 -5.092 18.170 -12.385 1.00 0.00 O ATOM 0 H ASP A 96 -4.269 18.108 -7.988 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.871 17.295 -9.134 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -4.193 16.410 -10.229 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -5.774 16.261 -10.970 1.00 0.00 H new ATOM 1432 N LEU A 97 -4.357 15.713 -7.669 1.00 0.00 N ATOM 1433 CA LEU A 97 -3.993 14.554 -6.871 1.00 0.00 C ATOM 1434 C LEU A 97 -4.522 14.735 -5.447 1.00 0.00 C ATOM 1435 O LEU A 97 -5.113 13.818 -4.880 1.00 0.00 O ATOM 1436 CB LEU A 97 -2.484 14.309 -6.940 1.00 0.00 C ATOM 1437 CG LEU A 97 -1.858 14.367 -8.335 1.00 0.00 C ATOM 1438 CD1 LEU A 97 -0.438 13.797 -8.323 1.00 0.00 C ATOM 1439 CD2 LEU A 97 -2.747 13.667 -9.365 1.00 0.00 C ATOM 0 H LEU A 97 -3.612 16.399 -7.789 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.458 13.653 -7.272 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.987 15.046 -6.310 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.275 13.329 -6.510 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.783 15.413 -8.632 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.016 13.850 -9.327 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.181 14.377 -7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.466 12.758 -7.996 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.279 13.723 -10.348 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.876 12.622 -9.084 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.720 14.157 -9.398 1.00 0.00 H new ATOM 1451 N THR A 98 -4.290 15.924 -4.910 1.00 0.00 N ATOM 1452 CA THR A 98 -4.736 16.236 -3.563 1.00 0.00 C ATOM 1453 C THR A 98 -5.928 17.195 -3.605 1.00 0.00 C ATOM 1454 O THR A 98 -6.420 17.625 -2.563 1.00 0.00 O ATOM 1455 CB THR A 98 -3.540 16.788 -2.785 1.00 0.00 C ATOM 1456 OG1 THR A 98 -3.253 18.029 -3.423 1.00 0.00 O ATOM 1457 CG2 THR A 98 -2.272 15.958 -2.996 1.00 0.00 C ATOM 0 H THR A 98 -3.799 16.683 -5.383 1.00 0.00 H new ATOM 0 HA THR A 98 -5.094 15.344 -3.048 1.00 0.00 H new ATOM 0 HB THR A 98 -3.781 16.819 -1.722 1.00 0.00 H new ATOM 0 HG1 THR A 98 -3.708 18.064 -4.290 1.00 0.00 H new ATOM 0 HG21 THR A 98 -1.453 16.392 -2.422 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.447 14.935 -2.662 1.00 0.00 H new ATOM 0 HG23 THR A 98 -2.011 15.954 -4.054 1.00 0.00 H new ATOM 1465 N GLY A 99 -6.358 17.501 -4.820 1.00 0.00 N ATOM 1466 CA GLY A 99 -7.483 18.400 -5.011 1.00 0.00 C ATOM 1467 C GLY A 99 -8.736 17.869 -4.311 1.00 0.00 C ATOM 1468 O GLY A 99 -8.868 16.665 -4.096 1.00 0.00 O ATOM 0 H GLY A 99 -5.947 17.142 -5.682 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.235 19.387 -4.620 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.681 18.519 -6.076 1.00 0.00 H new ATOM 1472 N CYS A 100 -9.623 18.793 -3.974 1.00 0.00 N ATOM 1473 CA CYS A 100 -10.860 18.433 -3.302 1.00 0.00 C ATOM 1474 C CYS A 100 -11.974 18.370 -4.349 1.00 0.00 C ATOM 1475 O CYS A 100 -12.780 17.440 -4.349 1.00 0.00 O ATOM 1476 CB CYS A 100 -11.194 19.407 -2.171 1.00 0.00 C ATOM 1477 SG CYS A 100 -10.192 19.194 -0.654 1.00 0.00 S ATOM 0 H CYS A 100 -9.510 19.791 -4.154 1.00 0.00 H new ATOM 0 HA CYS A 100 -10.750 17.456 -2.830 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -11.062 20.425 -2.537 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -12.247 19.295 -1.913 1.00 0.00 H new ATOM 1482 N LYS A 101 -11.985 19.372 -5.215 1.00 0.00 N ATOM 1483 CA LYS A 101 -12.988 19.443 -6.265 1.00 0.00 C ATOM 1484 C LYS A 101 -12.295 19.408 -7.629 1.00 0.00 C ATOM 1485 O LYS A 101 -11.310 20.110 -7.847 1.00 0.00 O ATOM 1486 CB LYS A 101 -13.889 20.663 -6.064 1.00 0.00 C ATOM 1487 CG LYS A 101 -14.584 21.052 -7.371 1.00 0.00 C ATOM 1488 CD LYS A 101 -15.304 19.851 -7.987 1.00 0.00 C ATOM 1489 CE LYS A 101 -16.792 20.145 -8.182 1.00 0.00 C ATOM 1490 NZ LYS A 101 -16.980 21.459 -8.837 1.00 0.00 N ATOM 0 H LYS A 101 -11.316 20.142 -5.212 1.00 0.00 H new ATOM 0 HA LYS A 101 -13.649 18.577 -6.220 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -14.636 20.446 -5.301 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -13.296 21.502 -5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -15.300 21.852 -7.182 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -13.849 21.441 -8.076 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -14.850 19.603 -8.946 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -15.183 18.980 -7.343 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -17.247 19.362 -8.788 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -17.300 20.137 -7.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -17.783 21.407 -9.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -17.172 22.183 -8.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -16.118 21.712 -9.361 1.00 0.00 H new ATOM 1504 N LYS A 102 -12.839 18.582 -8.511 1.00 0.00 N ATOM 1505 CA LYS A 102 -12.285 18.446 -9.848 1.00 0.00 C ATOM 1506 C LYS A 102 -11.171 17.397 -9.829 1.00 0.00 C ATOM 1507 O LYS A 102 -10.662 17.009 -10.879 1.00 0.00 O ATOM 1508 CB LYS A 102 -11.840 19.807 -10.385 1.00 0.00 C ATOM 1509 CG LYS A 102 -11.893 19.838 -11.914 1.00 0.00 C ATOM 1510 CD LYS A 102 -11.896 21.277 -12.434 1.00 0.00 C ATOM 1511 CE LYS A 102 -10.617 21.580 -13.216 1.00 0.00 C ATOM 1512 NZ LYS A 102 -9.595 22.178 -12.327 1.00 0.00 N ATOM 0 H LYS A 102 -13.657 18.001 -8.326 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.047 18.090 -10.542 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -12.482 20.589 -9.980 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.826 20.021 -10.048 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -11.036 19.302 -12.322 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -12.787 19.320 -12.261 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.764 21.434 -13.074 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.988 21.970 -11.597 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.229 20.663 -13.660 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.838 22.263 -14.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -8.733 22.378 -12.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -9.962 23.064 -11.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -9.371 21.514 -11.559 1.00 0.00 H new ATOM 1526 N SER A 103 -10.824 16.970 -8.624 1.00 0.00 N ATOM 1527 CA SER A 103 -9.779 15.974 -8.455 1.00 0.00 C ATOM 1528 C SER A 103 -10.226 14.640 -9.056 1.00 0.00 C ATOM 1529 O SER A 103 -11.420 14.400 -9.226 1.00 0.00 O ATOM 1530 CB SER A 103 -9.420 15.798 -6.978 1.00 0.00 C ATOM 1531 OG SER A 103 -8.531 14.703 -6.772 1.00 0.00 O ATOM 0 H SER A 103 -11.248 17.295 -7.755 1.00 0.00 H new ATOM 0 HA SER A 103 -8.888 16.320 -8.978 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.961 16.713 -6.605 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.330 15.640 -6.400 1.00 0.00 H new ATOM 0 HG SER A 103 -7.617 14.977 -6.997 1.00 0.00 H new ATOM 1537 N LYS A 104 -9.243 13.806 -9.360 1.00 0.00 N ATOM 1538 CA LYS A 104 -9.519 12.502 -9.938 1.00 0.00 C ATOM 1539 C LYS A 104 -10.374 11.688 -8.964 1.00 0.00 C ATOM 1540 O LYS A 104 -11.308 11.002 -9.377 1.00 0.00 O ATOM 1541 CB LYS A 104 -8.217 11.807 -10.341 1.00 0.00 C ATOM 1542 CG LYS A 104 -7.920 12.018 -11.827 1.00 0.00 C ATOM 1543 CD LYS A 104 -7.321 13.405 -12.074 1.00 0.00 C ATOM 1544 CE LYS A 104 -5.953 13.298 -12.751 1.00 0.00 C ATOM 1545 NZ LYS A 104 -6.050 13.679 -14.178 1.00 0.00 N ATOM 0 H LYS A 104 -8.254 14.008 -9.217 1.00 0.00 H new ATOM 0 HA LYS A 104 -10.094 12.608 -10.858 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.393 12.196 -9.743 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -8.289 10.740 -10.129 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -7.228 11.251 -12.176 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.838 11.906 -12.405 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -7.995 13.990 -12.699 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -7.222 13.936 -11.127 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.238 13.945 -12.243 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.577 12.279 -12.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -5.113 13.601 -14.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.717 13.045 -14.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.388 14.660 -14.253 1.00 0.00 H new ATOM 1559 N CYS A 105 -10.024 11.792 -7.690 1.00 0.00 N ATOM 1560 CA CYS A 105 -10.748 11.074 -6.655 1.00 0.00 C ATOM 1561 C CYS A 105 -12.153 11.670 -6.550 1.00 0.00 C ATOM 1562 O CYS A 105 -13.149 10.977 -6.750 1.00 0.00 O ATOM 1563 CB CYS A 105 -10.009 11.116 -5.316 1.00 0.00 C ATOM 1564 SG CYS A 105 -8.270 10.593 -5.544 1.00 0.00 S ATOM 0 H CYS A 105 -9.249 12.362 -7.351 1.00 0.00 H new ATOM 0 HA CYS A 105 -10.821 10.020 -6.923 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -10.043 12.125 -4.904 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -10.503 10.462 -4.598 1.00 0.00 H new ATOM 1569 N HIS A 106 -12.194 12.965 -6.233 1.00 0.00 N ATOM 1570 CA HIS A 106 -13.443 13.705 -6.088 1.00 0.00 C ATOM 1571 C HIS A 106 -13.697 14.548 -7.351 1.00 0.00 C ATOM 1572 O HIS A 106 -13.743 15.775 -7.276 1.00 0.00 O ATOM 1573 CB HIS A 106 -13.390 14.517 -4.786 1.00 0.00 C ATOM 1574 CG HIS A 106 -13.267 13.733 -3.500 1.00 0.00 C ATOM 1575 ND1 HIS A 106 -14.254 12.964 -3.029 1.00 0.00 N ATOM 1576 CD2 HIS A 106 -12.235 13.626 -2.598 1.00 0.00 C ATOM 1577 CE1 HIS A 106 -13.852 12.399 -1.879 1.00 0.00 C ATOM 1578 NE2 HIS A 106 -12.613 12.774 -1.567 1.00 0.00 N ATOM 0 H HIS A 106 -11.360 13.529 -6.070 1.00 0.00 H new ATOM 0 HA HIS A 106 -14.298 13.034 -6.003 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -12.546 15.204 -4.848 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -14.292 15.126 -4.728 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -15.163 12.829 -3.471 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -11.281 14.125 -2.678 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.455 11.728 -1.285 1.00 0.00 H new ATOM 1586 N GLU A 107 -13.856 13.858 -8.471 1.00 0.00 N ATOM 1587 CA GLU A 107 -14.104 14.530 -9.735 1.00 0.00 C ATOM 1588 C GLU A 107 -15.606 14.582 -10.022 1.00 0.00 C ATOM 1589 O GLU A 107 -16.242 15.618 -9.837 1.00 0.00 O ATOM 1590 CB GLU A 107 -13.351 13.844 -10.877 1.00 0.00 C ATOM 1591 CG GLU A 107 -12.552 14.861 -11.694 1.00 0.00 C ATOM 1592 CD GLU A 107 -12.892 14.756 -13.183 1.00 0.00 C ATOM 1593 OE1 GLU A 107 -14.100 14.648 -13.483 1.00 0.00 O ATOM 1594 OE2 GLU A 107 -11.935 14.786 -13.987 1.00 0.00 O ATOM 0 H GLU A 107 -13.818 12.840 -8.529 1.00 0.00 H new ATOM 0 HA GLU A 107 -13.732 15.552 -9.661 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -12.678 13.088 -10.472 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -14.058 13.326 -11.525 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -12.767 15.869 -11.338 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.485 14.693 -11.548 1.00 0.00 H new TER 1601 GLU A 107 HETATM 1602 FE HEC A 108 -5.762 -4.173 -3.933 1.00 0.00 FE HETATM 1603 CHA HEC A 108 -9.222 -4.562 -3.614 1.00 0.00 C HETATM 1604 CHB HEC A 108 -5.476 -7.528 -4.562 1.00 0.00 C HETATM 1605 CHC HEC A 108 -2.428 -3.731 -4.424 1.00 0.00 C HETATM 1606 CHD HEC A 108 -6.165 -0.795 -3.185 1.00 0.00 C HETATM 1607 NA HEC A 108 -7.092 -5.707 -4.106 1.00 0.00 N HETATM 1608 C1A HEC A 108 -8.453 -5.697 -3.854 1.00 0.00 C HETATM 1609 C2A HEC A 108 -8.976 -7.042 -3.874 1.00 0.00 C HETATM 1610 C3A HEC A 108 -7.940 -7.867 -4.137 1.00 0.00 C HETATM 1611 C4A HEC A 108 -6.766 -7.040 -4.282 1.00 0.00 C HETATM 1612 CMA HEC A 108 -7.958 -9.363 -4.263 1.00 0.00 C HETATM 1613 CAA HEC A 108 -10.413 -7.409 -3.641 1.00 0.00 C HETATM 1614 CBA HEC A 108 -10.652 -8.193 -2.353 1.00 0.00 C HETATM 1615 CGA HEC A 108 -10.952 -9.655 -2.650 1.00 0.00 C HETATM 1616 O1A HEC A 108 -10.041 -10.479 -2.419 1.00 0.00 O HETATM 1617 O2A HEC A 108 -12.087 -9.921 -3.101 1.00 0.00 O HETATM 1618 NB HEC A 108 -4.278 -5.379 -4.384 1.00 0.00 N HETATM 1619 C1B HEC A 108 -4.332 -6.739 -4.631 1.00 0.00 C HETATM 1620 C2B HEC A 108 -3.022 -7.239 -4.976 1.00 0.00 C HETATM 1621 C3B HEC A 108 -2.175 -6.189 -4.938 1.00 0.00 C HETATM 1622 C4B HEC A 108 -2.952 -5.029 -4.570 1.00 0.00 C HETATM 1623 CMB HEC A 108 -2.707 -8.669 -5.307 1.00 0.00 C HETATM 1624 CAB HEC A 108 -0.700 -6.181 -5.218 1.00 0.00 C HETATM 1625 CBB HEC A 108 -0.299 -6.973 -6.459 1.00 0.00 C HETATM 1626 NC HEC A 108 -4.573 -2.556 -3.892 1.00 0.00 N HETATM 1627 C1C HEC A 108 -3.204 -2.560 -4.098 1.00 0.00 C HETATM 1628 C2C HEC A 108 -2.654 -1.252 -3.833 1.00 0.00 C HETATM 1629 C3C HEC A 108 -3.681 -0.456 -3.467 1.00 0.00 C HETATM 1630 C4C HEC A 108 -4.877 -1.263 -3.503 1.00 0.00 C HETATM 1631 CMC HEC A 108 -1.202 -0.890 -3.954 1.00 0.00 C HETATM 1632 CAC HEC A 108 -3.635 0.996 -3.088 1.00 0.00 C HETATM 1633 CBC HEC A 108 -2.430 1.746 -3.648 1.00 0.00 C HETATM 1634 ND HEC A 108 -7.366 -2.924 -3.515 1.00 0.00 N HETATM 1635 C1D HEC A 108 -7.313 -1.580 -3.190 1.00 0.00 C HETATM 1636 C2D HEC A 108 -8.630 -1.095 -2.850 1.00 0.00 C HETATM 1637 C3D HEC A 108 -9.480 -2.137 -2.968 1.00 0.00 C HETATM 1638 C4D HEC A 108 -8.698 -3.278 -3.382 1.00 0.00 C HETATM 1639 CMD HEC A 108 -8.948 0.316 -2.447 1.00 0.00 C HETATM 1640 CAD HEC A 108 -10.961 -2.153 -2.726 1.00 0.00 C HETATM 1641 CBD HEC A 108 -11.357 -1.865 -1.281 1.00 0.00 C HETATM 1642 CGD HEC A 108 -12.456 -0.813 -1.214 1.00 0.00 C HETATM 1643 O1D HEC A 108 -13.492 -1.032 -1.878 1.00 0.00 O HETATM 1644 O2D HEC A 108 -12.239 0.189 -0.499 1.00 0.00 O HETATM 0 HMD3 HEC A 108 -8.387 0.573 -1.548 1.00 0.00 H new HETATM 0 HMD2 HEC A 108 -8.672 0.996 -3.253 1.00 0.00 H new HETATM 0 HMD1 HEC A 108 -10.016 0.405 -2.247 1.00 0.00 H new HETATM 0 HMC3 HEC A 108 -0.615 -1.509 -3.276 1.00 0.00 H new HETATM 0 HMC2 HEC A 108 -0.869 -1.058 -4.978 1.00 0.00 H new HETATM 0 HMC1 HEC A 108 -1.066 0.160 -3.696 1.00 0.00 H new HETATM 0 HMB3 HEC A 108 -2.960 -9.303 -4.457 1.00 0.00 H new HETATM 0 HMB2 HEC A 108 -3.288 -8.978 -6.176 1.00 0.00 H new HETATM 0 HMB1 HEC A 108 -1.644 -8.766 -5.528 1.00 0.00 H new HETATM 0 HMA3 HEC A 108 -8.306 -9.803 -3.328 1.00 0.00 H new HETATM 0 HMA2 HEC A 108 -8.629 -9.652 -5.072 1.00 0.00 H new HETATM 0 HMA1 HEC A 108 -6.952 -9.722 -4.480 1.00 0.00 H new HETATM 0 HBD2 HEC A 108 -11.699 -2.784 -0.804 1.00 0.00 H new HETATM 0 HBD1 HEC A 108 -10.486 -1.522 -0.723 1.00 0.00 H new HETATM 0 HBC3 HEC A 108 -1.513 1.288 -3.278 1.00 0.00 H new HETATM 0 HBC2 HEC A 108 -2.446 1.699 -4.737 1.00 0.00 H new HETATM 0 HBC1 HEC A 108 -2.470 2.788 -3.330 1.00 0.00 H new HETATM 0 HBB3 HEC A 108 -0.597 -8.014 -6.338 1.00 0.00 H new HETATM 0 HBB2 HEC A 108 -0.794 -6.553 -7.334 1.00 0.00 H new HETATM 0 HBB1 HEC A 108 0.781 -6.918 -6.592 1.00 0.00 H new HETATM 0 HBA2 HEC A 108 -9.773 -8.122 -1.712 1.00 0.00 H new HETATM 0 HBA1 HEC A 108 -11.484 -7.752 -1.804 1.00 0.00 H new HETATM 0 HAD2 HEC A 108 -11.433 -1.415 -3.375 1.00 0.00 H new HETATM 0 HAD1 HEC A 108 -11.355 -3.128 -3.012 1.00 0.00 H new HETATM 0 HAA2 HEC A 108 -11.011 -6.498 -3.616 1.00 0.00 H new HETATM 0 HAA1 HEC A 108 -10.768 -8.000 -4.485 1.00 0.00 H new HETATM 0 HHD HEC A 108 -6.271 0.256 -2.916 1.00 0.00 H new HETATM 0 HHC HEC A 108 -1.355 -3.601 -4.568 1.00 0.00 H new HETATM 0 HHB HEC A 108 -5.365 -8.598 -4.737 1.00 0.00 H new HETATM 0 HHA HEC A 108 -10.306 -4.676 -3.605 1.00 0.00 H new HETATM 0 H2D HEC A 108 -13.002 0.336 0.098 1.00 0.00 H new HETATM 0 H2A HEC A 108 -12.087 -10.828 -3.473 1.00 0.00 H new HETATM 1677 FE HEC A 109 -6.762 -0.215 8.278 1.00 0.00 FE HETATM 1678 CHA HEC A 109 -4.835 1.345 10.787 1.00 0.00 C HETATM 1679 CHB HEC A 109 -5.714 2.170 6.068 1.00 0.00 C HETATM 1680 CHC HEC A 109 -8.384 -1.897 5.839 1.00 0.00 C HETATM 1681 CHD HEC A 109 -7.821 -2.502 10.683 1.00 0.00 C HETATM 1682 NA HEC A 109 -5.497 1.395 8.411 1.00 0.00 N HETATM 1683 C1A HEC A 109 -4.858 1.920 9.521 1.00 0.00 C HETATM 1684 C2A HEC A 109 -4.209 3.165 9.183 1.00 0.00 C HETATM 1685 C3A HEC A 109 -4.450 3.396 7.876 1.00 0.00 C HETATM 1686 C4A HEC A 109 -5.252 2.298 7.391 1.00 0.00 C HETATM 1687 CMA HEC A 109 -3.994 4.559 7.043 1.00 0.00 C HETATM 1688 CAA HEC A 109 -3.421 4.010 10.141 1.00 0.00 C HETATM 1689 CBA HEC A 109 -4.200 5.192 10.711 1.00 0.00 C HETATM 1690 CGA HEC A 109 -3.482 5.794 11.910 1.00 0.00 C HETATM 1691 O1A HEC A 109 -2.277 5.496 12.059 1.00 0.00 O HETATM 1692 O2A HEC A 109 -4.152 6.541 12.656 1.00 0.00 O HETATM 1693 NB HEC A 109 -7.019 0.099 6.376 1.00 0.00 N HETATM 1694 C1B HEC A 109 -6.469 1.102 5.596 1.00 0.00 C HETATM 1695 C2B HEC A 109 -6.789 0.886 4.205 1.00 0.00 C HETATM 1696 C3B HEC A 109 -7.530 -0.241 4.138 1.00 0.00 C HETATM 1697 C4B HEC A 109 -7.675 -0.734 5.487 1.00 0.00 C HETATM 1698 CMB HEC A 109 -6.357 1.776 3.076 1.00 0.00 C HETATM 1699 CAB HEC A 109 -8.111 -0.893 2.918 1.00 0.00 C HETATM 1700 CBB HEC A 109 -7.071 -1.307 1.880 1.00 0.00 C HETATM 1701 NC HEC A 109 -7.875 -1.865 8.290 1.00 0.00 N HETATM 1702 C1C HEC A 109 -8.611 -2.322 7.211 1.00 0.00 C HETATM 1703 C2C HEC A 109 -9.506 -3.376 7.625 1.00 0.00 C HETATM 1704 C3C HEC A 109 -9.316 -3.561 8.948 1.00 0.00 C HETATM 1705 C4C HEC A 109 -8.302 -2.623 9.367 1.00 0.00 C HETATM 1706 CMC HEC A 109 -10.455 -4.104 6.717 1.00 0.00 C HETATM 1707 CAC HEC A 109 -10.004 -4.542 9.853 1.00 0.00 C HETATM 1708 CBC HEC A 109 -9.798 -6.001 9.457 1.00 0.00 C HETATM 1709 ND HEC A 109 -6.400 -0.518 10.321 1.00 0.00 N HETATM 1710 C1D HEC A 109 -6.940 -1.515 11.114 1.00 0.00 C HETATM 1711 C2D HEC A 109 -6.458 -1.393 12.469 1.00 0.00 C HETATM 1712 C3D HEC A 109 -5.630 -0.327 12.502 1.00 0.00 C HETATM 1713 C4D HEC A 109 -5.591 0.220 11.166 1.00 0.00 C HETATM 1714 CMD HEC A 109 -6.836 -2.304 13.601 1.00 0.00 C HETATM 1715 CAD HEC A 109 -4.874 0.220 13.677 1.00 0.00 C HETATM 1716 CBD HEC A 109 -3.477 -0.369 13.845 1.00 0.00 C HETATM 1717 CGD HEC A 109 -2.410 0.602 13.359 1.00 0.00 C HETATM 1718 O1D HEC A 109 -2.397 1.738 13.880 1.00 0.00 O HETATM 1719 O2D HEC A 109 -1.628 0.190 12.475 1.00 0.00 O HETATM 0 HMD3 HEC A 109 -7.914 -2.266 13.754 1.00 0.00 H new HETATM 0 HMD2 HEC A 109 -6.540 -3.325 13.361 1.00 0.00 H new HETATM 0 HMD1 HEC A 109 -6.329 -1.984 14.511 1.00 0.00 H new HETATM 0 HMC3 HEC A 109 -11.153 -3.393 6.275 1.00 0.00 H new HETATM 0 HMC2 HEC A 109 -9.893 -4.600 5.926 1.00 0.00 H new HETATM 0 HMC1 HEC A 109 -11.009 -4.848 7.290 1.00 0.00 H new HETATM 0 HMB3 HEC A 109 -6.752 2.780 3.232 1.00 0.00 H new HETATM 0 HMB2 HEC A 109 -5.268 1.816 3.040 1.00 0.00 H new HETATM 0 HMB1 HEC A 109 -6.736 1.379 2.134 1.00 0.00 H new HETATM 0 HMA3 HEC A 109 -4.385 5.485 7.465 1.00 0.00 H new HETATM 0 HMA2 HEC A 109 -2.905 4.596 7.035 1.00 0.00 H new HETATM 0 HMA1 HEC A 109 -4.360 4.442 6.023 1.00 0.00 H new HETATM 0 HBD2 HEC A 109 -3.304 -0.609 14.894 1.00 0.00 H new HETATM 0 HBD1 HEC A 109 -3.404 -1.303 13.288 1.00 0.00 H new HETATM 0 HBC3 HEC A 109 -10.187 -6.164 8.452 1.00 0.00 H new HETATM 0 HBC2 HEC A 109 -8.734 -6.237 9.477 1.00 0.00 H new HETATM 0 HBC1 HEC A 109 -10.326 -6.647 10.159 1.00 0.00 H new HETATM 0 HBB3 HEC A 109 -6.522 -0.427 1.544 1.00 0.00 H new HETATM 0 HBB2 HEC A 109 -6.376 -2.019 2.325 1.00 0.00 H new HETATM 0 HBB1 HEC A 109 -7.571 -1.770 1.029 1.00 0.00 H new HETATM 0 HBA2 HEC A 109 -4.328 5.952 9.941 1.00 0.00 H new HETATM 0 HBA1 HEC A 109 -5.197 4.866 11.006 1.00 0.00 H new HETATM 0 HAD2 HEC A 109 -4.791 1.302 13.571 1.00 0.00 H new HETATM 0 HAD1 HEC A 109 -5.448 0.032 14.584 1.00 0.00 H new HETATM 0 HAA2 HEC A 109 -3.077 3.384 10.964 1.00 0.00 H new HETATM 0 HAA1 HEC A 109 -2.532 4.385 9.633 1.00 0.00 H new HETATM 0 HHD HEC A 109 -8.162 -3.232 11.417 1.00 0.00 H new HETATM 0 HHC HEC A 109 -8.787 -2.515 5.037 1.00 0.00 H new HETATM 0 HHB HEC A 109 -5.462 2.963 5.364 1.00 0.00 H new HETATM 0 HHA HEC A 109 -4.187 1.797 11.538 1.00 0.00 H new HETATM 0 H2D HEC A 109 -2.047 0.290 11.595 1.00 0.00 H new HETATM 0 H2A HEC A 109 -4.833 7.007 12.127 1.00 0.00 H new HETATM 1752 FE HEC A 110 -3.048 7.171 -6.283 1.00 0.00 FE HETATM 1753 CHA HEC A 110 -2.782 8.358 -9.622 1.00 0.00 C HETATM 1754 CHB HEC A 110 -6.537 7.491 -6.643 1.00 0.00 C HETATM 1755 CHC HEC A 110 -3.488 5.786 -3.249 1.00 0.00 C HETATM 1756 CHD HEC A 110 0.321 7.068 -6.097 1.00 0.00 C HETATM 1757 NA HEC A 110 -4.386 7.791 -7.836 1.00 0.00 N HETATM 1758 C1A HEC A 110 -4.067 8.252 -9.101 1.00 0.00 C HETATM 1759 C2A HEC A 110 -5.267 8.614 -9.819 1.00 0.00 C HETATM 1760 C3A HEC A 110 -6.309 8.375 -8.996 1.00 0.00 C HETATM 1761 C4A HEC A 110 -5.766 7.863 -7.760 1.00 0.00 C HETATM 1762 CMA HEC A 110 -7.770 8.586 -9.270 1.00 0.00 C HETATM 1763 CAA HEC A 110 -5.300 9.153 -11.220 1.00 0.00 C HETATM 1764 CBA HEC A 110 -5.550 8.092 -12.287 1.00 0.00 C HETATM 1765 CGA HEC A 110 -4.616 8.278 -13.474 1.00 0.00 C HETATM 1766 O1A HEC A 110 -4.086 7.249 -13.946 1.00 0.00 O HETATM 1767 O2A HEC A 110 -4.450 9.446 -13.888 1.00 0.00 O HETATM 1768 NB HEC A 110 -4.684 6.781 -5.177 1.00 0.00 N HETATM 1769 C1B HEC A 110 -6.026 6.889 -5.498 1.00 0.00 C HETATM 1770 C2B HEC A 110 -6.838 6.285 -4.468 1.00 0.00 C HETATM 1771 C3B HEC A 110 -5.996 5.811 -3.526 1.00 0.00 C HETATM 1772 C4B HEC A 110 -4.654 6.118 -3.963 1.00 0.00 C HETATM 1773 CMB HEC A 110 -8.337 6.218 -4.485 1.00 0.00 C HETATM 1774 CAB HEC A 110 -6.342 5.096 -2.252 1.00 0.00 C HETATM 1775 CBB HEC A 110 -7.403 4.012 -2.418 1.00 0.00 C HETATM 1776 NC HEC A 110 -1.828 6.611 -4.953 1.00 0.00 N HETATM 1777 C1C HEC A 110 -2.141 6.053 -3.726 1.00 0.00 C HETATM 1778 C2C HEC A 110 -0.936 5.685 -3.020 1.00 0.00 C HETATM 1779 C3C HEC A 110 0.105 6.017 -3.813 1.00 0.00 C HETATM 1780 C4C HEC A 110 -0.446 6.594 -5.017 1.00 0.00 C HETATM 1781 CMC HEC A 110 -0.897 5.053 -1.660 1.00 0.00 C HETATM 1782 CAC HEC A 110 1.569 5.839 -3.538 1.00 0.00 C HETATM 1783 CBC HEC A 110 1.885 4.701 -2.572 1.00 0.00 C HETATM 1784 ND HEC A 110 -1.555 7.615 -7.603 1.00 0.00 N HETATM 1785 C1D HEC A 110 -0.207 7.514 -7.304 1.00 0.00 C HETATM 1786 C2D HEC A 110 0.589 7.939 -8.431 1.00 0.00 C HETATM 1787 C3D HEC A 110 -0.268 8.297 -9.410 1.00 0.00 C HETATM 1788 C4D HEC A 110 -1.604 8.097 -8.899 1.00 0.00 C HETATM 1789 CMD HEC A 110 2.089 7.962 -8.463 1.00 0.00 C HETATM 1790 CAD HEC A 110 0.058 8.810 -10.782 1.00 0.00 C HETATM 1791 CBD HEC A 110 -0.075 10.324 -10.927 1.00 0.00 C HETATM 1792 CGD HEC A 110 0.314 10.776 -12.327 1.00 0.00 C HETATM 1793 O1D HEC A 110 1.528 10.979 -12.541 1.00 0.00 O HETATM 1794 O2D HEC A 110 -0.611 10.911 -13.158 1.00 0.00 O HETATM 0 HMD3 HEC A 110 2.460 8.623 -7.679 1.00 0.00 H new HETATM 0 HMD2 HEC A 110 2.472 6.955 -8.300 1.00 0.00 H new HETATM 0 HMD1 HEC A 110 2.427 8.325 -9.434 1.00 0.00 H new HETATM 0 HMC3 HEC A 110 -1.374 5.715 -0.937 1.00 0.00 H new HETATM 0 HMC2 HEC A 110 -1.428 4.101 -1.686 1.00 0.00 H new HETATM 0 HMC1 HEC A 110 0.139 4.882 -1.368 1.00 0.00 H new HETATM 0 HMB3 HEC A 110 -8.746 7.228 -4.514 1.00 0.00 H new HETATM 0 HMB2 HEC A 110 -8.667 5.668 -5.366 1.00 0.00 H new HETATM 0 HMB1 HEC A 110 -8.689 5.710 -3.587 1.00 0.00 H new HETATM 0 HMA3 HEC A 110 -7.951 9.638 -9.490 1.00 0.00 H new HETATM 0 HMA2 HEC A 110 -8.071 7.980 -10.124 1.00 0.00 H new HETATM 0 HMA1 HEC A 110 -8.350 8.293 -8.395 1.00 0.00 H new HETATM 0 HBD2 HEC A 110 -1.102 10.624 -10.717 1.00 0.00 H new HETATM 0 HBD1 HEC A 110 0.559 10.820 -10.192 1.00 0.00 H new HETATM 0 HBC3 HEC A 110 1.399 4.891 -1.615 1.00 0.00 H new HETATM 0 HBC2 HEC A 110 1.519 3.761 -2.985 1.00 0.00 H new HETATM 0 HBC1 HEC A 110 2.963 4.637 -2.425 1.00 0.00 H new HETATM 0 HBB3 HEC A 110 -8.323 4.458 -2.797 1.00 0.00 H new HETATM 0 HBB2 HEC A 110 -7.048 3.260 -3.123 1.00 0.00 H new HETATM 0 HBB1 HEC A 110 -7.597 3.543 -1.454 1.00 0.00 H new HETATM 0 HBA2 HEC A 110 -5.406 7.100 -11.859 1.00 0.00 H new HETATM 0 HBA1 HEC A 110 -6.585 8.147 -12.623 1.00 0.00 H new HETATM 0 HAD2 HEC A 110 1.078 8.519 -11.034 1.00 0.00 H new HETATM 0 HAD1 HEC A 110 -0.599 8.327 -11.505 1.00 0.00 H new HETATM 0 HAA2 HEC A 110 -6.079 9.912 -11.288 1.00 0.00 H new HETATM 0 HAA1 HEC A 110 -4.352 9.649 -11.430 1.00 0.00 H new HETATM 0 HHD HEC A 110 1.404 7.087 -5.980 1.00 0.00 H new HETATM 0 HHC HEC A 110 -3.601 5.299 -2.280 1.00 0.00 H new HETATM 0 HHB HEC A 110 -7.608 7.688 -6.678 1.00 0.00 H new HETATM 0 HHA HEC A 110 -2.681 8.665 -10.663 1.00 0.00 H new HETATM 0 H2D HEC A 110 -0.240 11.206 -14.016 1.00 0.00 H new HETATM 0 H2A HEC A 110 -3.667 9.476 -14.477 1.00 0.00 H new HETATM 1827 FE HEC A 111 -11.565 12.282 -0.089 1.00 0.00 FE HETATM 1828 CHA HEC A 111 -13.925 10.050 1.216 1.00 0.00 C HETATM 1829 CHB HEC A 111 -13.102 14.829 1.665 1.00 0.00 C HETATM 1830 CHC HEC A 111 -9.066 14.398 -1.026 1.00 0.00 C HETATM 1831 CHD HEC A 111 -10.234 9.702 -1.943 1.00 0.00 C HETATM 1832 NA HEC A 111 -13.181 12.401 1.178 1.00 0.00 N HETATM 1833 C1A HEC A 111 -14.025 11.385 1.592 1.00 0.00 C HETATM 1834 C2A HEC A 111 -15.037 11.905 2.481 1.00 0.00 C HETATM 1835 C3A HEC A 111 -14.812 13.230 2.607 1.00 0.00 C HETATM 1836 C4A HEC A 111 -13.657 13.543 1.798 1.00 0.00 C HETATM 1837 CMA HEC A 111 -15.586 14.225 3.421 1.00 0.00 C HETATM 1838 CAA HEC A 111 -16.120 11.086 3.122 1.00 0.00 C HETATM 1839 CBA HEC A 111 -15.751 10.537 4.497 1.00 0.00 C HETATM 1840 CGA HEC A 111 -16.995 10.144 5.281 1.00 0.00 C HETATM 1841 O1A HEC A 111 -17.423 10.969 6.118 1.00 0.00 O HETATM 1842 O2A HEC A 111 -17.495 9.027 5.030 1.00 0.00 O HETATM 1843 NB HEC A 111 -11.134 14.191 0.322 1.00 0.00 N HETATM 1844 C1B HEC A 111 -11.957 15.122 0.932 1.00 0.00 C HETATM 1845 C2B HEC A 111 -11.460 16.458 0.701 1.00 0.00 C HETATM 1846 C3B HEC A 111 -10.341 16.341 -0.045 1.00 0.00 C HETATM 1847 C4B HEC A 111 -10.134 14.932 -0.284 1.00 0.00 C HETATM 1848 CMB HEC A 111 -12.102 17.713 1.215 1.00 0.00 C HETATM 1849 CAB HEC A 111 -9.451 17.438 -0.552 1.00 0.00 C HETATM 1850 CBB HEC A 111 -8.159 17.606 0.242 1.00 0.00 C HETATM 1851 NC HEC A 111 -9.920 12.048 -1.211 1.00 0.00 N HETATM 1852 C1C HEC A 111 -9.025 13.037 -1.579 1.00 0.00 C HETATM 1853 C2C HEC A 111 -8.122 12.544 -2.592 1.00 0.00 C HETATM 1854 C3C HEC A 111 -8.465 11.262 -2.839 1.00 0.00 C HETATM 1855 C4C HEC A 111 -9.584 10.949 -1.982 1.00 0.00 C HETATM 1856 CMC HEC A 111 -7.020 13.344 -3.224 1.00 0.00 C HETATM 1857 CAC HEC A 111 -7.834 10.308 -3.811 1.00 0.00 C HETATM 1858 CBC HEC A 111 -6.308 10.330 -3.801 1.00 0.00 C HETATM 1859 ND HEC A 111 -12.032 10.298 -0.362 1.00 0.00 N HETATM 1860 C1D HEC A 111 -11.284 9.387 -1.086 1.00 0.00 C HETATM 1861 C2D HEC A 111 -11.747 8.043 -0.830 1.00 0.00 C HETATM 1862 C3D HEC A 111 -12.770 8.136 0.045 1.00 0.00 C HETATM 1863 C4D HEC A 111 -12.951 9.538 0.340 1.00 0.00 C HETATM 1864 CMD HEC A 111 -11.166 6.803 -1.445 1.00 0.00 C HETATM 1865 CAD HEC A 111 -13.591 7.023 0.629 1.00 0.00 C HETATM 1866 CBD HEC A 111 -14.589 6.410 -0.349 1.00 0.00 C HETATM 1867 CGD HEC A 111 -15.652 5.605 0.385 1.00 0.00 C HETATM 1868 O1D HEC A 111 -16.799 5.592 -0.112 1.00 0.00 O HETATM 1869 O2D HEC A 111 -15.297 5.017 1.430 1.00 0.00 O HETATM 0 HMD3 HEC A 111 -11.258 6.857 -2.530 1.00 0.00 H new HETATM 0 HMD2 HEC A 111 -10.113 6.721 -1.174 1.00 0.00 H new HETATM 0 HMD1 HEC A 111 -11.704 5.929 -1.079 1.00 0.00 H new HETATM 0 HMC3 HEC A 111 -7.443 14.216 -3.722 1.00 0.00 H new HETATM 0 HMC2 HEC A 111 -6.320 13.670 -2.455 1.00 0.00 H new HETATM 0 HMC1 HEC A 111 -6.496 12.728 -3.954 1.00 0.00 H new HETATM 0 HMB3 HEC A 111 -13.115 17.791 0.821 1.00 0.00 H new HETATM 0 HMB2 HEC A 111 -12.138 17.684 2.304 1.00 0.00 H new HETATM 0 HMB1 HEC A 111 -11.520 18.577 0.894 1.00 0.00 H new HETATM 0 HMA3 HEC A 111 -16.621 14.249 3.079 1.00 0.00 H new HETATM 0 HMA2 HEC A 111 -15.558 13.936 4.472 1.00 0.00 H new HETATM 0 HMA1 HEC A 111 -15.142 15.214 3.305 1.00 0.00 H new HETATM 0 HBD2 HEC A 111 -15.064 7.200 -0.931 1.00 0.00 H new HETATM 0 HBD1 HEC A 111 -14.063 5.766 -1.054 1.00 0.00 H new HETATM 0 HBC3 HEC A 111 -5.957 11.329 -4.058 1.00 0.00 H new HETATM 0 HBC2 HEC A 111 -5.947 10.063 -2.808 1.00 0.00 H new HETATM 0 HBC1 HEC A 111 -5.929 9.614 -4.530 1.00 0.00 H new HETATM 0 HBB3 HEC A 111 -8.397 17.839 1.280 1.00 0.00 H new HETATM 0 HBB2 HEC A 111 -7.584 16.681 0.201 1.00 0.00 H new HETATM 0 HBB1 HEC A 111 -7.571 18.418 -0.187 1.00 0.00 H new HETATM 0 HBA2 HEC A 111 -15.100 9.670 4.383 1.00 0.00 H new HETATM 0 HBA1 HEC A 111 -15.189 11.287 5.053 1.00 0.00 H new HETATM 0 HAD2 HEC A 111 -12.922 6.241 0.987 1.00 0.00 H new HETATM 0 HAD1 HEC A 111 -14.133 7.401 1.496 1.00 0.00 H new HETATM 0 HAA2 HEC A 111 -17.017 11.698 3.215 1.00 0.00 H new HETATM 0 HAA1 HEC A 111 -16.369 10.253 2.464 1.00 0.00 H new HETATM 0 HHD HEC A 111 -9.892 8.929 -2.631 1.00 0.00 H new HETATM 0 HHC HEC A 111 -8.204 15.041 -1.204 1.00 0.00 H new HETATM 0 HHB HEC A 111 -13.604 15.653 2.172 1.00 0.00 H new HETATM 0 HHA HEC A 111 -14.652 9.351 1.629 1.00 0.00 H new HETATM 0 H2D HEC A 111 -15.600 5.526 2.211 1.00 0.00 H new HETATM 0 H2A HEC A 111 -17.093 8.350 5.614 1.00 0.00 H new