USER MOD reduce.3.24.130724 H: found=0, std=0, add=1428, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 78 SER OG : rot -150:sc= -0.426 USER MOD Set 1.2: B 82 THR OG1 : rot 69:sc= 0.335 USER MOD Set 2.1: A 74 MET CE :methyl 167:sc= 0 (180deg=-0.00879) USER MOD Set 2.2: B 74 MET CE :methyl 166:sc= 0 (180deg=-0.00833) USER MOD Set 3.1: A 0 MET N :NH3+ -112:sc= 0.468 (180deg=-0.43!) USER MOD Set 3.2: B 42 HIS : no HD1:sc= -1.56! C(o=-1.1!,f=-9!) USER MOD Set 4.1: A 5 LYS NZ :NH3+ 151:sc= -0.0337 (180deg=0) USER MOD Set 4.2: B 5 LYS NZ :NH3+ 150:sc= -0.0357 (180deg=0) USER MOD Set 5.1: A 42 HIS : no HD1:sc= -1.45! C(o=-1.2!,f=-8.6!) USER MOD Set 5.2: B 0 MET N :NH3+ -111:sc= 0.291 (180deg=-0.516!) USER MOD Set 6.1: A 85 HIS : no HE2:sc= -2.59! C(o=-3.4!,f=-6.9!) USER MOD Set 6.2: B 25 HIS : no HD1:sc= -0.835 K(o=-3.4,f=-4.4) USER MOD Set 7.1: A 78 SER OG : rot -150:sc= -0.312 USER MOD Set 7.2: A 82 THR OG1 : rot 63:sc= 0.402 USER MOD Set 8.1: A 25 HIS : no HD1:sc= -0.756 K(o=-3.4,f=-4.5!) USER MOD Set 8.2: B 85 HIS : no HE2:sc= -2.65! C(o=-3.4!,f=-6.6!) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 165:sc= -0.586 (180deg=-0.825) USER MOD Single : A 15 HIS : no HD1:sc= -2.18! C(o=-2.2!,f=-4.1!) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.203) USER MOD Single : A 26 LYS NZ :NH3+ 162:sc= -1.6 (180deg=-1.89) USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.119) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0744) USER MOD Single : A 37 ASN : amide:sc= -0.964! C(o=-0.96!,f=-8.7!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= -0.012 (180deg=-0.217) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -126:sc= -0.0863 (180deg=-0.939) USER MOD Single : A 57 MET CE :methyl -178:sc= -0.0621 (180deg=-0.0711) USER MOD Single : A 59 THR OG1 : rot 86:sc= 0.979 USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot -93:sc= 0.665 USER MOD Single : A 84 CYS SG : rot -54:sc= 0.242 USER MOD Single : A 90 HIS : no HE2:sc= -1.39! C(o=-1.4!,f=-6.6!) USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 SER OG : rot 180:sc= 0 USER MOD Single : B 7 MET CE :methyl 165:sc= -0.508 (180deg=-0.663) USER MOD Single : B 15 HIS : no HD1:sc= -2.08! C(o=-2.1!,f=-4.1!) USER MOD Single : B 16 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 24 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.18) USER MOD Single : B 26 LYS NZ :NH3+ 170:sc= -1.62 (180deg=-1.92) USER MOD Single : B 28 LYS NZ :NH3+ 166:sc=-0.000966 (180deg=-0.128) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0625) USER MOD Single : B 37 ASN : amide:sc= -0.969! C(o=-0.97!,f=-8.8!) USER MOD Single : B 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ 162:sc= -0.0102 (180deg=-0.196) USER MOD Single : B 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 55 LYS NZ :NH3+ -126:sc= -0.0961 (180deg=-0.954) USER MOD Single : B 57 MET CE :methyl -178:sc= -0.0632 (180deg=-0.0712) USER MOD Single : B 59 THR OG1 : rot 86:sc= 0.885 USER MOD Single : B 68 CYS SG : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 81 THR OG1 : rot -99:sc= 0.71 USER MOD Single : B 84 CYS SG : rot -50:sc= 0.354 USER MOD Single : B 90 HIS : no HE2:sc= -1.41! C(o=-1.4!,f=-6.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -11.377 8.181 14.360 1.00 0.00 N ATOM 2 CA MET A 0 -10.372 7.477 13.513 1.00 0.00 C ATOM 3 C MET A 0 -10.511 5.966 13.704 1.00 0.00 C ATOM 4 O MET A 0 -10.657 5.482 14.809 1.00 0.00 O ATOM 5 CB MET A 0 -8.964 7.915 13.922 1.00 0.00 C ATOM 6 CG MET A 0 -8.799 9.413 13.662 1.00 0.00 C ATOM 7 SD MET A 0 -9.711 10.346 14.916 1.00 0.00 S ATOM 8 CE MET A 0 -9.091 11.988 14.473 1.00 0.00 C ATOM 0 H1 MET A 0 -12.086 8.637 13.751 1.00 0.00 H new ATOM 0 H2 MET A 0 -11.847 7.495 14.984 1.00 0.00 H new ATOM 0 H3 MET A 0 -10.900 8.903 14.937 1.00 0.00 H new ATOM 0 HA MET A 0 -10.541 7.727 12.466 1.00 0.00 H new ATOM 0 HB2 MET A 0 -8.796 7.698 14.977 1.00 0.00 H new ATOM 0 HB3 MET A 0 -8.219 7.353 13.359 1.00 0.00 H new ATOM 0 HG2 MET A 0 -7.743 9.684 13.688 1.00 0.00 H new ATOM 0 HG3 MET A 0 -9.168 9.663 12.667 1.00 0.00 H new ATOM 0 HE1 MET A 0 -9.533 12.734 15.133 1.00 0.00 H new ATOM 0 HE2 MET A 0 -8.006 12.008 14.578 1.00 0.00 H new ATOM 0 HE3 MET A 0 -9.360 12.212 13.441 1.00 0.00 H new ATOM 20 N SER A 1 -10.462 5.214 12.637 1.00 0.00 N ATOM 21 CA SER A 1 -10.586 3.733 12.759 1.00 0.00 C ATOM 22 C SER A 1 -9.204 3.131 13.016 1.00 0.00 C ATOM 23 O SER A 1 -8.196 3.806 12.922 1.00 0.00 O ATOM 24 CB SER A 1 -11.159 3.161 11.462 1.00 0.00 C ATOM 25 OG SER A 1 -10.154 3.179 10.457 1.00 0.00 O ATOM 0 H SER A 1 -10.341 5.562 11.686 1.00 0.00 H new ATOM 0 HA SER A 1 -11.251 3.488 13.587 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.509 2.142 11.624 1.00 0.00 H new ATOM 0 HB3 SER A 1 -12.020 3.747 11.142 1.00 0.00 H new ATOM 0 HG SER A 1 -10.517 2.811 9.624 1.00 0.00 H new ATOM 31 N GLU A 2 -9.143 1.869 13.342 1.00 0.00 N ATOM 32 CA GLU A 2 -7.820 1.239 13.606 1.00 0.00 C ATOM 33 C GLU A 2 -6.951 1.338 12.351 1.00 0.00 C ATOM 34 O GLU A 2 -5.748 1.479 12.427 1.00 0.00 O ATOM 35 CB GLU A 2 -8.020 -0.233 13.978 1.00 0.00 C ATOM 36 CG GLU A 2 -6.658 -0.890 14.226 1.00 0.00 C ATOM 37 CD GLU A 2 -6.854 -2.208 14.980 1.00 0.00 C ATOM 38 OE1 GLU A 2 -7.199 -2.152 16.149 1.00 0.00 O ATOM 39 OE2 GLU A 2 -6.655 -3.249 14.377 1.00 0.00 O ATOM 0 H GLU A 2 -9.948 1.250 13.436 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.328 1.756 14.430 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.641 -0.312 14.870 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.545 -0.753 13.177 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.153 -1.073 13.278 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.020 -0.221 14.803 1.00 0.00 H new ATOM 46 N LEU A 3 -7.552 1.258 11.196 1.00 0.00 N ATOM 47 CA LEU A 3 -6.760 1.341 9.937 1.00 0.00 C ATOM 48 C LEU A 3 -6.022 2.686 9.886 1.00 0.00 C ATOM 49 O LEU A 3 -4.839 2.745 9.615 1.00 0.00 O ATOM 50 CB LEU A 3 -7.713 1.203 8.732 1.00 0.00 C ATOM 51 CG LEU A 3 -6.995 0.525 7.555 1.00 0.00 C ATOM 52 CD1 LEU A 3 -7.984 0.317 6.405 1.00 0.00 C ATOM 53 CD2 LEU A 3 -5.836 1.409 7.081 1.00 0.00 C ATOM 0 H LEU A 3 -8.557 1.139 11.070 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.025 0.537 9.903 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.588 0.619 9.017 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.071 2.187 8.429 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.604 -0.440 7.877 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.475 -0.164 5.570 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.806 -0.315 6.742 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.376 1.282 6.084 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.328 0.926 6.246 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.224 2.376 6.760 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.131 1.554 7.899 1.00 0.00 H new ATOM 65 N GLU A 4 -6.708 3.766 10.150 1.00 0.00 N ATOM 66 CA GLU A 4 -6.037 5.098 10.118 1.00 0.00 C ATOM 67 C GLU A 4 -4.754 5.039 10.949 1.00 0.00 C ATOM 68 O GLU A 4 -3.714 5.523 10.550 1.00 0.00 O ATOM 69 CB GLU A 4 -6.973 6.158 10.703 1.00 0.00 C ATOM 70 CG GLU A 4 -8.231 6.262 9.839 1.00 0.00 C ATOM 71 CD GLU A 4 -9.025 7.506 10.242 1.00 0.00 C ATOM 72 OE1 GLU A 4 -8.406 8.467 10.668 1.00 0.00 O ATOM 73 OE2 GLU A 4 -10.238 7.476 10.119 1.00 0.00 O ATOM 0 H GLU A 4 -7.700 3.784 10.386 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.795 5.358 9.088 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.242 5.895 11.726 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.467 7.122 10.744 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.958 6.317 8.785 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.845 5.370 9.963 1.00 0.00 H new ATOM 80 N LYS A 5 -4.829 4.437 12.103 1.00 0.00 N ATOM 81 CA LYS A 5 -3.628 4.321 12.978 1.00 0.00 C ATOM 82 C LYS A 5 -2.452 3.765 12.171 1.00 0.00 C ATOM 83 O LYS A 5 -1.326 4.203 12.294 1.00 0.00 O ATOM 84 CB LYS A 5 -3.944 3.346 14.115 1.00 0.00 C ATOM 85 CG LYS A 5 -2.846 3.421 15.180 1.00 0.00 C ATOM 86 CD LYS A 5 -2.940 2.198 16.097 1.00 0.00 C ATOM 87 CE LYS A 5 -1.918 2.325 17.228 1.00 0.00 C ATOM 88 NZ LYS A 5 -2.055 1.164 18.151 1.00 0.00 N ATOM 0 H LYS A 5 -5.678 4.017 12.481 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.368 5.303 13.373 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.910 3.589 14.557 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.018 2.330 13.726 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.866 3.458 14.705 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.952 4.335 15.764 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.946 2.117 16.509 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.755 1.288 15.526 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.908 2.361 16.818 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.075 3.257 17.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.136 0.961 18.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.752 1.388 18.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.373 0.331 17.616 1.00 0.00 H new ATOM 102 N ALA A 6 -2.722 2.781 11.357 1.00 0.00 N ATOM 103 CA ALA A 6 -1.655 2.142 10.535 1.00 0.00 C ATOM 104 C ALA A 6 -1.271 3.026 9.341 1.00 0.00 C ATOM 105 O ALA A 6 -0.142 3.000 8.892 1.00 0.00 O ATOM 106 CB ALA A 6 -2.175 0.789 10.031 1.00 0.00 C ATOM 0 H ALA A 6 -3.653 2.386 11.225 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.765 2.006 11.149 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.407 0.306 9.427 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.420 0.154 10.882 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.068 0.945 9.426 1.00 0.00 H new ATOM 112 N MET A 7 -2.169 3.814 8.825 1.00 0.00 N ATOM 113 CA MET A 7 -1.789 4.683 7.675 1.00 0.00 C ATOM 114 C MET A 7 -0.751 5.704 8.172 1.00 0.00 C ATOM 115 O MET A 7 0.276 5.921 7.552 1.00 0.00 O ATOM 116 CB MET A 7 -3.051 5.396 7.124 1.00 0.00 C ATOM 117 CG MET A 7 -3.320 4.969 5.671 1.00 0.00 C ATOM 118 SD MET A 7 -1.899 5.411 4.638 1.00 0.00 S ATOM 119 CE MET A 7 -2.006 4.025 3.477 1.00 0.00 C ATOM 0 H MET A 7 -3.135 3.896 9.142 1.00 0.00 H new ATOM 0 HA MET A 7 -1.358 4.092 6.867 1.00 0.00 H new ATOM 0 HB2 MET A 7 -3.913 5.154 7.746 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.916 6.476 7.173 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.497 3.895 5.623 1.00 0.00 H new ATOM 0 HG3 MET A 7 -4.220 5.457 5.298 1.00 0.00 H new ATOM 0 HE1 MET A 7 -1.393 4.236 2.601 1.00 0.00 H new ATOM 0 HE2 MET A 7 -1.647 3.117 3.961 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.043 3.887 3.170 1.00 0.00 H new ATOM 129 N VAL A 8 -1.011 6.326 9.290 1.00 0.00 N ATOM 130 CA VAL A 8 -0.046 7.324 9.828 1.00 0.00 C ATOM 131 C VAL A 8 1.227 6.609 10.285 1.00 0.00 C ATOM 132 O VAL A 8 2.322 7.108 10.119 1.00 0.00 O ATOM 133 CB VAL A 8 -0.677 8.060 11.011 1.00 0.00 C ATOM 134 CG1 VAL A 8 0.231 9.213 11.442 1.00 0.00 C ATOM 135 CG2 VAL A 8 -2.041 8.616 10.594 1.00 0.00 C ATOM 0 H VAL A 8 -1.850 6.186 9.853 1.00 0.00 H new ATOM 0 HA VAL A 8 0.205 8.044 9.049 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.802 7.367 11.843 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.220 9.736 12.285 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.203 8.819 11.738 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.358 9.906 10.611 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.493 9.141 11.436 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.913 9.308 9.761 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.690 7.796 10.288 1.00 0.00 H new ATOM 145 N ALA A 9 1.097 5.438 10.850 1.00 0.00 N ATOM 146 CA ALA A 9 2.307 4.695 11.302 1.00 0.00 C ATOM 147 C ALA A 9 3.240 4.498 10.107 1.00 0.00 C ATOM 148 O ALA A 9 4.426 4.740 10.186 1.00 0.00 O ATOM 149 CB ALA A 9 1.890 3.329 11.852 1.00 0.00 C ATOM 0 H ALA A 9 0.208 4.966 11.017 1.00 0.00 H new ATOM 0 HA ALA A 9 2.818 5.258 12.083 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.774 2.785 12.183 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.213 3.467 12.695 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.385 2.761 11.071 1.00 0.00 H new ATOM 155 N LEU A 10 2.716 4.051 9.003 1.00 0.00 N ATOM 156 CA LEU A 10 3.582 3.834 7.809 1.00 0.00 C ATOM 157 C LEU A 10 4.458 5.066 7.597 1.00 0.00 C ATOM 158 O LEU A 10 5.657 4.972 7.429 1.00 0.00 O ATOM 159 CB LEU A 10 2.692 3.640 6.573 1.00 0.00 C ATOM 160 CG LEU A 10 2.053 2.240 6.590 1.00 0.00 C ATOM 161 CD1 LEU A 10 1.016 2.154 5.464 1.00 0.00 C ATOM 162 CD2 LEU A 10 3.127 1.146 6.390 1.00 0.00 C ATOM 0 H LEU A 10 1.729 3.826 8.873 1.00 0.00 H new ATOM 0 HA LEU A 10 4.207 2.954 7.961 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.913 4.402 6.554 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.284 3.766 5.667 1.00 0.00 H new ATOM 0 HG LEU A 10 1.574 2.079 7.556 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.557 1.165 5.467 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.248 2.911 5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.505 2.324 4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.654 0.164 6.405 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.623 1.294 5.431 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.862 1.207 7.192 1.00 0.00 H new ATOM 174 N ILE A 11 3.860 6.226 7.623 1.00 0.00 N ATOM 175 CA ILE A 11 4.653 7.472 7.445 1.00 0.00 C ATOM 176 C ILE A 11 5.690 7.546 8.568 1.00 0.00 C ATOM 177 O ILE A 11 6.842 7.868 8.354 1.00 0.00 O ATOM 178 CB ILE A 11 3.720 8.685 7.529 1.00 0.00 C ATOM 179 CG1 ILE A 11 2.508 8.474 6.609 1.00 0.00 C ATOM 180 CG2 ILE A 11 4.474 9.946 7.103 1.00 0.00 C ATOM 181 CD1 ILE A 11 2.972 8.085 5.201 1.00 0.00 C ATOM 0 H ILE A 11 2.859 6.363 7.760 1.00 0.00 H new ATOM 0 HA ILE A 11 5.149 7.470 6.474 1.00 0.00 H new ATOM 0 HB ILE A 11 3.375 8.800 8.557 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.865 7.694 7.016 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.913 9.386 6.564 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.808 10.806 7.164 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.327 10.100 7.764 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.825 9.831 6.078 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.103 7.938 4.559 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.596 8.879 4.791 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.547 7.160 5.250 1.00 0.00 H new ATOM 193 N ASP A 12 5.272 7.241 9.766 1.00 0.00 N ATOM 194 CA ASP A 12 6.197 7.275 10.932 1.00 0.00 C ATOM 195 C ASP A 12 7.474 6.496 10.615 1.00 0.00 C ATOM 196 O ASP A 12 8.574 6.968 10.819 1.00 0.00 O ATOM 197 CB ASP A 12 5.500 6.609 12.131 1.00 0.00 C ATOM 198 CG ASP A 12 6.187 7.038 13.433 1.00 0.00 C ATOM 199 OD1 ASP A 12 7.303 6.602 13.661 1.00 0.00 O ATOM 200 OD2 ASP A 12 5.584 7.795 14.176 1.00 0.00 O ATOM 0 H ASP A 12 4.315 6.966 9.988 1.00 0.00 H new ATOM 0 HA ASP A 12 6.454 8.310 11.158 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.447 6.891 12.154 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.538 5.524 12.029 1.00 0.00 H new ATOM 205 N VAL A 13 7.326 5.283 10.144 1.00 0.00 N ATOM 206 CA VAL A 13 8.522 4.446 9.845 1.00 0.00 C ATOM 207 C VAL A 13 9.207 4.896 8.551 1.00 0.00 C ATOM 208 O VAL A 13 10.415 5.018 8.510 1.00 0.00 O ATOM 209 CB VAL A 13 8.111 2.976 9.736 1.00 0.00 C ATOM 210 CG1 VAL A 13 9.348 2.117 9.464 1.00 0.00 C ATOM 211 CG2 VAL A 13 7.459 2.528 11.047 1.00 0.00 C ATOM 0 H VAL A 13 6.428 4.839 9.955 1.00 0.00 H new ATOM 0 HA VAL A 13 9.234 4.566 10.661 1.00 0.00 H new ATOM 0 HB VAL A 13 7.400 2.860 8.918 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.054 1.070 9.387 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.813 2.434 8.530 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.060 2.235 10.281 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.166 1.481 10.969 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.169 2.646 11.865 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.577 3.138 11.241 1.00 0.00 H new ATOM 221 N PHE A 14 8.488 5.130 7.492 1.00 0.00 N ATOM 222 CA PHE A 14 9.188 5.547 6.245 1.00 0.00 C ATOM 223 C PHE A 14 10.048 6.777 6.543 1.00 0.00 C ATOM 224 O PHE A 14 11.121 6.952 5.998 1.00 0.00 O ATOM 225 CB PHE A 14 8.179 5.886 5.147 1.00 0.00 C ATOM 226 CG PHE A 14 8.929 6.247 3.885 1.00 0.00 C ATOM 227 CD1 PHE A 14 9.457 7.535 3.727 1.00 0.00 C ATOM 228 CD2 PHE A 14 9.102 5.292 2.875 1.00 0.00 C ATOM 229 CE1 PHE A 14 10.157 7.867 2.559 1.00 0.00 C ATOM 230 CE2 PHE A 14 9.802 5.624 1.709 1.00 0.00 C ATOM 231 CZ PHE A 14 10.329 6.912 1.551 1.00 0.00 C ATOM 0 H PHE A 14 7.473 5.054 7.432 1.00 0.00 H new ATOM 0 HA PHE A 14 9.814 4.725 5.899 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.521 5.036 4.964 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.547 6.717 5.460 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.325 8.272 4.505 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.695 4.299 2.996 1.00 0.00 H new ATOM 0 HE1 PHE A 14 10.564 8.860 2.437 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.936 4.887 0.931 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.868 7.168 0.651 1.00 0.00 H new ATOM 241 N HIS A 15 9.575 7.635 7.408 1.00 0.00 N ATOM 242 CA HIS A 15 10.345 8.863 7.751 1.00 0.00 C ATOM 243 C HIS A 15 11.482 8.517 8.716 1.00 0.00 C ATOM 244 O HIS A 15 12.523 9.144 8.717 1.00 0.00 O ATOM 245 CB HIS A 15 9.407 9.878 8.409 1.00 0.00 C ATOM 246 CG HIS A 15 10.186 11.105 8.799 1.00 0.00 C ATOM 247 ND1 HIS A 15 11.127 11.091 9.817 1.00 0.00 N ATOM 248 CD2 HIS A 15 10.173 12.390 8.318 1.00 0.00 C ATOM 249 CE1 HIS A 15 11.636 12.333 9.914 1.00 0.00 C ATOM 250 NE2 HIS A 15 11.089 13.164 9.023 1.00 0.00 N ATOM 0 H HIS A 15 8.683 7.536 7.893 1.00 0.00 H new ATOM 0 HA HIS A 15 10.769 9.288 6.841 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.605 10.147 7.721 1.00 0.00 H new ATOM 0 HB3 HIS A 15 8.938 9.438 9.289 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.546 12.747 7.514 1.00 0.00 H new ATOM 0 HE1 HIS A 15 12.395 12.623 10.626 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.298 14.153 8.888 1.00 0.00 H new ATOM 258 N GLN A 16 11.280 7.533 9.551 1.00 0.00 N ATOM 259 CA GLN A 16 12.335 7.153 10.535 1.00 0.00 C ATOM 260 C GLN A 16 13.646 6.862 9.806 1.00 0.00 C ATOM 261 O GLN A 16 14.703 7.292 10.223 1.00 0.00 O ATOM 262 CB GLN A 16 11.890 5.912 11.312 1.00 0.00 C ATOM 263 CG GLN A 16 12.970 5.526 12.323 1.00 0.00 C ATOM 264 CD GLN A 16 12.444 4.414 13.231 1.00 0.00 C ATOM 265 OE1 GLN A 16 11.363 3.901 13.019 1.00 0.00 O ATOM 266 NE2 GLN A 16 13.168 4.015 14.241 1.00 0.00 N ATOM 0 H GLN A 16 10.428 6.975 9.594 1.00 0.00 H new ATOM 0 HA GLN A 16 12.490 7.978 11.230 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.950 6.110 11.827 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.709 5.086 10.625 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.867 5.191 11.803 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.252 6.394 12.919 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.075 4.445 14.419 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.826 3.273 14.852 1.00 0.00 H new ATOM 275 N TYR A 17 13.596 6.138 8.722 1.00 0.00 N ATOM 276 CA TYR A 17 14.850 5.830 7.982 1.00 0.00 C ATOM 277 C TYR A 17 15.351 7.102 7.295 1.00 0.00 C ATOM 278 O TYR A 17 16.522 7.421 7.340 1.00 0.00 O ATOM 279 CB TYR A 17 14.571 4.745 6.929 1.00 0.00 C ATOM 280 CG TYR A 17 14.578 3.379 7.583 1.00 0.00 C ATOM 281 CD1 TYR A 17 13.560 3.027 8.478 1.00 0.00 C ATOM 282 CD2 TYR A 17 15.603 2.466 7.297 1.00 0.00 C ATOM 283 CE1 TYR A 17 13.565 1.766 9.085 1.00 0.00 C ATOM 284 CE2 TYR A 17 15.608 1.205 7.904 1.00 0.00 C ATOM 285 CZ TYR A 17 14.589 0.855 8.798 1.00 0.00 C ATOM 286 OH TYR A 17 14.594 -0.388 9.398 1.00 0.00 O ATOM 0 H TYR A 17 12.744 5.748 8.319 1.00 0.00 H new ATOM 0 HA TYR A 17 15.609 5.468 8.676 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.607 4.926 6.454 1.00 0.00 H new ATOM 0 HB3 TYR A 17 15.325 4.786 6.143 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.770 3.729 8.700 1.00 0.00 H new ATOM 0 HD2 TYR A 17 16.389 2.736 6.608 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.779 1.496 9.775 1.00 0.00 H new ATOM 0 HE2 TYR A 17 16.398 0.502 7.683 1.00 0.00 H new ATOM 0 HH TYR A 17 15.372 -0.897 9.089 1.00 0.00 H new ATOM 296 N SER A 18 14.471 7.828 6.655 1.00 0.00 N ATOM 297 CA SER A 18 14.888 9.081 5.955 1.00 0.00 C ATOM 298 C SER A 18 14.554 10.303 6.815 1.00 0.00 C ATOM 299 O SER A 18 13.809 11.169 6.401 1.00 0.00 O ATOM 300 CB SER A 18 14.141 9.184 4.625 1.00 0.00 C ATOM 301 OG SER A 18 14.301 7.972 3.900 1.00 0.00 O ATOM 0 H SER A 18 13.478 7.606 6.587 1.00 0.00 H new ATOM 0 HA SER A 18 15.964 9.051 5.780 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.083 9.377 4.803 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.525 10.022 4.043 1.00 0.00 H new ATOM 0 HG SER A 18 13.822 8.035 3.048 1.00 0.00 H new ATOM 307 N GLY A 19 15.119 10.399 7.999 1.00 0.00 N ATOM 308 CA GLY A 19 14.863 11.585 8.884 1.00 0.00 C ATOM 309 C GLY A 19 16.202 12.284 9.131 1.00 0.00 C ATOM 310 O GLY A 19 16.256 13.415 9.571 1.00 0.00 O ATOM 0 H GLY A 19 15.751 9.702 8.392 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.157 12.268 8.412 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.418 11.268 9.827 1.00 0.00 H new ATOM 314 N ARG A 20 17.281 11.626 8.812 1.00 0.00 N ATOM 315 CA ARG A 20 18.627 12.245 8.979 1.00 0.00 C ATOM 316 C ARG A 20 18.730 13.460 8.057 1.00 0.00 C ATOM 317 O ARG A 20 19.380 14.428 8.397 1.00 0.00 O ATOM 318 CB ARG A 20 19.724 11.233 8.628 1.00 0.00 C ATOM 319 CG ARG A 20 19.414 9.876 9.271 1.00 0.00 C ATOM 320 CD ARG A 20 19.419 10.012 10.795 1.00 0.00 C ATOM 321 NE ARG A 20 20.678 10.680 11.229 1.00 0.00 N ATOM 322 CZ ARG A 20 21.799 10.012 11.241 1.00 0.00 C ATOM 323 NH1 ARG A 20 22.435 9.784 10.125 1.00 0.00 N ATOM 324 NH2 ARG A 20 22.284 9.571 12.369 1.00 0.00 N ATOM 0 H ARG A 20 17.289 10.677 8.439 1.00 0.00 H new ATOM 0 HA ARG A 20 18.759 12.553 10.016 1.00 0.00 H new ATOM 0 HB2 ARG A 20 19.796 11.124 7.546 1.00 0.00 H new ATOM 0 HB3 ARG A 20 20.691 11.597 8.976 1.00 0.00 H new ATOM 0 HG2 ARG A 20 18.443 9.516 8.932 1.00 0.00 H new ATOM 0 HG3 ARG A 20 20.154 9.138 8.960 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.556 10.591 11.122 1.00 0.00 H new ATOM 0 HD3 ARG A 20 19.337 9.029 11.259 1.00 0.00 H new ATOM 0 HE ARG A 20 20.664 11.659 11.516 1.00 0.00 H new ATOM 0 HH11 ARG A 20 22.056 10.128 9.243 1.00 0.00 H new ATOM 0 HH12 ARG A 20 23.311 9.262 10.135 1.00 0.00 H new ATOM 0 HH21 ARG A 20 21.787 9.748 13.242 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.160 9.049 12.378 1.00 0.00 H new ATOM 338 N GLU A 21 18.082 13.456 6.917 1.00 0.00 N ATOM 339 CA GLU A 21 18.154 14.663 6.031 1.00 0.00 C ATOM 340 C GLU A 21 16.814 14.860 5.315 1.00 0.00 C ATOM 341 O GLU A 21 16.303 15.960 5.242 1.00 0.00 O ATOM 342 CB GLU A 21 19.272 14.483 4.990 1.00 0.00 C ATOM 343 CG GLU A 21 20.634 14.807 5.613 1.00 0.00 C ATOM 344 CD GLU A 21 20.720 16.305 5.913 1.00 0.00 C ATOM 345 OE1 GLU A 21 20.270 17.082 5.087 1.00 0.00 O ATOM 346 OE2 GLU A 21 21.235 16.651 6.965 1.00 0.00 O ATOM 0 H GLU A 21 17.515 12.684 6.565 1.00 0.00 H new ATOM 0 HA GLU A 21 18.370 15.539 6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 21 19.269 13.459 4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 21 19.091 15.135 4.135 1.00 0.00 H new ATOM 0 HG2 GLU A 21 20.771 14.234 6.530 1.00 0.00 H new ATOM 0 HG3 GLU A 21 21.434 14.516 4.933 1.00 0.00 H new ATOM 353 N GLY A 22 16.237 13.814 4.787 1.00 0.00 N ATOM 354 CA GLY A 22 14.931 13.963 4.079 1.00 0.00 C ATOM 355 C GLY A 22 15.001 15.157 3.124 1.00 0.00 C ATOM 356 O GLY A 22 13.993 15.639 2.647 1.00 0.00 O ATOM 0 H GLY A 22 16.611 12.866 4.815 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.700 13.053 3.525 1.00 0.00 H new ATOM 0 HA3 GLY A 22 14.128 14.108 4.802 1.00 0.00 H new ATOM 360 N ASP A 23 16.183 15.640 2.840 1.00 0.00 N ATOM 361 CA ASP A 23 16.308 16.804 1.914 1.00 0.00 C ATOM 362 C ASP A 23 15.452 16.535 0.674 1.00 0.00 C ATOM 363 O ASP A 23 14.505 17.242 0.397 1.00 0.00 O ATOM 364 CB ASP A 23 17.772 16.974 1.502 1.00 0.00 C ATOM 365 CG ASP A 23 17.939 18.280 0.725 1.00 0.00 C ATOM 366 OD1 ASP A 23 17.451 18.349 -0.392 1.00 0.00 O ATOM 367 OD2 ASP A 23 18.552 19.190 1.259 1.00 0.00 O ATOM 0 H ASP A 23 17.064 15.280 3.208 1.00 0.00 H new ATOM 0 HA ASP A 23 15.970 17.714 2.409 1.00 0.00 H new ATOM 0 HB2 ASP A 23 18.410 16.981 2.386 1.00 0.00 H new ATOM 0 HB3 ASP A 23 18.087 16.131 0.887 1.00 0.00 H new ATOM 372 N LYS A 24 15.758 15.496 -0.053 1.00 0.00 N ATOM 373 CA LYS A 24 14.941 15.156 -1.253 1.00 0.00 C ATOM 374 C LYS A 24 13.810 14.219 -0.813 1.00 0.00 C ATOM 375 O LYS A 24 13.729 13.825 0.334 1.00 0.00 O ATOM 376 CB LYS A 24 15.818 14.451 -2.290 1.00 0.00 C ATOM 377 CG LYS A 24 17.146 15.197 -2.436 1.00 0.00 C ATOM 378 CD LYS A 24 18.006 14.501 -3.494 1.00 0.00 C ATOM 379 CE LYS A 24 19.281 15.312 -3.732 1.00 0.00 C ATOM 380 NZ LYS A 24 20.147 15.242 -2.521 1.00 0.00 N ATOM 0 H LYS A 24 16.539 14.867 0.132 1.00 0.00 H new ATOM 0 HA LYS A 24 14.529 16.062 -1.698 1.00 0.00 H new ATOM 0 HB2 LYS A 24 16.000 13.420 -1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.304 14.413 -3.250 1.00 0.00 H new ATOM 0 HG2 LYS A 24 16.964 16.233 -2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.671 15.218 -1.481 1.00 0.00 H new ATOM 0 HD2 LYS A 24 18.260 13.493 -3.166 1.00 0.00 H new ATOM 0 HD3 LYS A 24 17.447 14.402 -4.424 1.00 0.00 H new ATOM 0 HE2 LYS A 24 19.816 14.923 -4.598 1.00 0.00 H new ATOM 0 HE3 LYS A 24 19.029 16.349 -3.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 21.096 15.599 -2.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.733 15.823 -1.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.217 14.255 -2.201 1.00 0.00 H new ATOM 394 N HIS A 25 12.956 13.841 -1.730 1.00 0.00 N ATOM 395 CA HIS A 25 11.835 12.902 -1.410 1.00 0.00 C ATOM 396 C HIS A 25 11.936 11.715 -2.371 1.00 0.00 C ATOM 397 O HIS A 25 10.962 11.290 -2.959 1.00 0.00 O ATOM 398 CB HIS A 25 10.495 13.622 -1.604 1.00 0.00 C ATOM 399 CG HIS A 25 10.279 13.922 -3.064 1.00 0.00 C ATOM 400 ND1 HIS A 25 11.090 14.800 -3.766 1.00 0.00 N ATOM 401 CD2 HIS A 25 9.350 13.466 -3.966 1.00 0.00 C ATOM 402 CE1 HIS A 25 10.638 14.844 -5.033 1.00 0.00 C ATOM 403 NE2 HIS A 25 9.579 14.049 -5.209 1.00 0.00 N ATOM 0 H HIS A 25 12.988 14.148 -2.702 1.00 0.00 H new ATOM 0 HA HIS A 25 11.898 12.559 -0.377 1.00 0.00 H new ATOM 0 HB2 HIS A 25 9.682 13.002 -1.227 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.483 14.547 -1.028 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.561 12.762 -3.745 1.00 0.00 H new ATOM 0 HE1 HIS A 25 11.078 15.448 -5.812 1.00 0.00 H new ATOM 0 HE2 HIS A 25 9.052 13.901 -6.069 1.00 0.00 H new ATOM 411 N LYS A 26 13.124 11.184 -2.528 1.00 0.00 N ATOM 412 CA LYS A 26 13.338 10.028 -3.441 1.00 0.00 C ATOM 413 C LYS A 26 14.117 8.931 -2.709 1.00 0.00 C ATOM 414 O LYS A 26 14.930 9.210 -1.850 1.00 0.00 O ATOM 415 CB LYS A 26 14.140 10.505 -4.653 1.00 0.00 C ATOM 416 CG LYS A 26 15.418 11.215 -4.191 1.00 0.00 C ATOM 417 CD LYS A 26 16.346 11.445 -5.390 1.00 0.00 C ATOM 418 CE LYS A 26 15.682 12.381 -6.406 1.00 0.00 C ATOM 419 NZ LYS A 26 15.038 13.523 -5.697 1.00 0.00 N ATOM 0 H LYS A 26 13.965 11.511 -2.053 1.00 0.00 H new ATOM 0 HA LYS A 26 12.378 9.626 -3.764 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.395 9.656 -5.287 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.535 11.183 -5.255 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.167 12.168 -3.725 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.926 10.615 -3.436 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.289 11.875 -5.051 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.582 10.492 -5.864 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.425 12.752 -7.112 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.938 11.834 -6.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.861 14.295 -6.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.136 13.211 -5.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.667 13.861 -4.941 1.00 0.00 H new ATOM 433 N LEU A 27 13.878 7.687 -3.044 1.00 0.00 N ATOM 434 CA LEU A 27 14.604 6.556 -2.377 1.00 0.00 C ATOM 435 C LEU A 27 15.280 5.717 -3.463 1.00 0.00 C ATOM 436 O LEU A 27 14.727 5.513 -4.525 1.00 0.00 O ATOM 437 CB LEU A 27 13.594 5.700 -1.602 1.00 0.00 C ATOM 438 CG LEU A 27 14.318 4.764 -0.616 1.00 0.00 C ATOM 439 CD1 LEU A 27 15.040 5.579 0.480 1.00 0.00 C ATOM 440 CD2 LEU A 27 13.288 3.830 0.038 1.00 0.00 C ATOM 0 H LEU A 27 13.206 7.402 -3.756 1.00 0.00 H new ATOM 0 HA LEU A 27 15.354 6.934 -1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.904 6.345 -1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 27 12.998 5.111 -2.299 1.00 0.00 H new ATOM 0 HG LEU A 27 15.061 4.182 -1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 27 15.545 4.899 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.774 6.240 0.018 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.311 6.174 1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.793 3.164 0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.547 4.424 0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.792 3.239 -0.732 1.00 0.00 H new ATOM 452 N LYS A 28 16.478 5.241 -3.221 1.00 0.00 N ATOM 453 CA LYS A 28 17.185 4.429 -4.262 1.00 0.00 C ATOM 454 C LYS A 28 16.933 2.937 -4.023 1.00 0.00 C ATOM 455 O LYS A 28 16.734 2.500 -2.908 1.00 0.00 O ATOM 456 CB LYS A 28 18.686 4.724 -4.205 1.00 0.00 C ATOM 457 CG LYS A 28 18.944 6.128 -4.759 1.00 0.00 C ATOM 458 CD LYS A 28 20.412 6.508 -4.546 1.00 0.00 C ATOM 459 CE LYS A 28 20.609 7.993 -4.867 1.00 0.00 C ATOM 460 NZ LYS A 28 20.087 8.819 -3.742 1.00 0.00 N ATOM 0 H LYS A 28 16.995 5.379 -2.352 1.00 0.00 H new ATOM 0 HA LYS A 28 16.803 4.694 -5.248 1.00 0.00 H new ATOM 0 HB2 LYS A 28 19.044 4.654 -3.178 1.00 0.00 H new ATOM 0 HB3 LYS A 28 19.237 3.984 -4.786 1.00 0.00 H new ATOM 0 HG2 LYS A 28 18.701 6.160 -5.821 1.00 0.00 H new ATOM 0 HG3 LYS A 28 18.296 6.850 -4.262 1.00 0.00 H new ATOM 0 HD2 LYS A 28 20.705 6.306 -3.516 1.00 0.00 H new ATOM 0 HD3 LYS A 28 21.052 5.899 -5.184 1.00 0.00 H new ATOM 0 HE2 LYS A 28 21.666 8.204 -5.027 1.00 0.00 H new ATOM 0 HE3 LYS A 28 20.090 8.248 -5.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 20.427 9.797 -3.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 19.047 8.810 -3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 20.422 8.427 -2.839 1.00 0.00 H new ATOM 474 N LYS A 29 16.941 2.155 -5.068 1.00 0.00 N ATOM 475 CA LYS A 29 16.702 0.689 -4.925 1.00 0.00 C ATOM 476 C LYS A 29 17.741 0.063 -3.990 1.00 0.00 C ATOM 477 O LYS A 29 17.431 -0.802 -3.195 1.00 0.00 O ATOM 478 CB LYS A 29 16.809 0.030 -6.308 1.00 0.00 C ATOM 479 CG LYS A 29 18.180 0.348 -6.966 1.00 0.00 C ATOM 480 CD LYS A 29 19.116 -0.866 -6.875 1.00 0.00 C ATOM 481 CE LYS A 29 20.453 -0.531 -7.537 1.00 0.00 C ATOM 482 NZ LYS A 29 21.334 -1.733 -7.511 1.00 0.00 N ATOM 0 H LYS A 29 17.104 2.471 -6.024 1.00 0.00 H new ATOM 0 HA LYS A 29 15.709 0.531 -4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.688 -1.049 -6.212 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.002 0.385 -6.949 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.033 0.624 -8.010 1.00 0.00 H new ATOM 0 HG3 LYS A 29 18.637 1.205 -6.471 1.00 0.00 H new ATOM 0 HD2 LYS A 29 19.273 -1.140 -5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 29 18.661 -1.727 -7.365 1.00 0.00 H new ATOM 0 HE2 LYS A 29 20.291 -0.207 -8.565 1.00 0.00 H new ATOM 0 HE3 LYS A 29 20.933 0.296 -7.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 22.244 -1.506 -7.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 21.498 -2.022 -6.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.876 -2.510 -8.028 1.00 0.00 H new ATOM 496 N SER A 30 18.973 0.478 -4.089 1.00 0.00 N ATOM 497 CA SER A 30 20.029 -0.112 -3.217 1.00 0.00 C ATOM 498 C SER A 30 19.668 0.087 -1.743 1.00 0.00 C ATOM 499 O SER A 30 19.809 -0.811 -0.928 1.00 0.00 O ATOM 500 CB SER A 30 21.368 0.568 -3.508 1.00 0.00 C ATOM 501 OG SER A 30 22.400 -0.105 -2.798 1.00 0.00 O ATOM 0 H SER A 30 19.295 1.199 -4.735 1.00 0.00 H new ATOM 0 HA SER A 30 20.105 -1.180 -3.424 1.00 0.00 H new ATOM 0 HB2 SER A 30 21.574 0.548 -4.578 1.00 0.00 H new ATOM 0 HB3 SER A 30 21.329 1.616 -3.210 1.00 0.00 H new ATOM 0 HG SER A 30 23.260 0.327 -2.983 1.00 0.00 H new ATOM 507 N GLU A 31 19.184 1.249 -1.390 1.00 0.00 N ATOM 508 CA GLU A 31 18.811 1.480 0.036 1.00 0.00 C ATOM 509 C GLU A 31 17.428 0.877 0.278 1.00 0.00 C ATOM 510 O GLU A 31 17.136 0.366 1.340 1.00 0.00 O ATOM 511 CB GLU A 31 18.801 2.980 0.350 1.00 0.00 C ATOM 512 CG GLU A 31 20.236 3.475 0.552 1.00 0.00 C ATOM 513 CD GLU A 31 21.020 3.319 -0.752 1.00 0.00 C ATOM 514 OE1 GLU A 31 20.790 4.105 -1.656 1.00 0.00 O ATOM 515 OE2 GLU A 31 21.837 2.416 -0.824 1.00 0.00 O ATOM 0 H GLU A 31 19.032 2.038 -2.018 1.00 0.00 H new ATOM 0 HA GLU A 31 19.542 1.006 0.691 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.328 3.529 -0.465 1.00 0.00 H new ATOM 0 HB3 GLU A 31 18.211 3.170 1.247 1.00 0.00 H new ATOM 0 HG2 GLU A 31 20.231 4.520 0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 31 20.718 2.908 1.348 1.00 0.00 H new ATOM 522 N LEU A 32 16.581 0.917 -0.717 1.00 0.00 N ATOM 523 CA LEU A 32 15.223 0.328 -0.563 1.00 0.00 C ATOM 524 C LEU A 32 15.382 -1.172 -0.297 1.00 0.00 C ATOM 525 O LEU A 32 14.753 -1.721 0.583 1.00 0.00 O ATOM 526 CB LEU A 32 14.409 0.576 -1.850 1.00 0.00 C ATOM 527 CG LEU A 32 12.894 0.582 -1.559 1.00 0.00 C ATOM 528 CD1 LEU A 32 12.154 1.239 -2.729 1.00 0.00 C ATOM 529 CD2 LEU A 32 12.382 -0.852 -1.389 1.00 0.00 C ATOM 0 H LEU A 32 16.773 1.333 -1.628 1.00 0.00 H new ATOM 0 HA LEU A 32 14.691 0.789 0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.701 1.529 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.638 -0.197 -2.583 1.00 0.00 H new ATOM 0 HG LEU A 32 12.714 1.140 -0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.083 1.244 -2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.505 2.264 -2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.347 0.677 -3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.312 -0.834 -1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.567 -1.415 -2.304 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.903 -1.328 -0.558 1.00 0.00 H new ATOM 541 N LYS A 33 16.211 -1.855 -1.042 1.00 0.00 N ATOM 542 CA LYS A 33 16.367 -3.315 -0.799 1.00 0.00 C ATOM 543 C LYS A 33 16.669 -3.538 0.680 1.00 0.00 C ATOM 544 O LYS A 33 15.977 -4.268 1.362 1.00 0.00 O ATOM 545 CB LYS A 33 17.515 -3.867 -1.648 1.00 0.00 C ATOM 546 CG LYS A 33 17.506 -5.397 -1.586 1.00 0.00 C ATOM 547 CD LYS A 33 18.723 -5.948 -2.334 1.00 0.00 C ATOM 548 CE LYS A 33 18.837 -7.454 -2.089 1.00 0.00 C ATOM 549 NZ LYS A 33 17.730 -8.160 -2.795 1.00 0.00 N ATOM 0 H LYS A 33 16.778 -1.470 -1.797 1.00 0.00 H new ATOM 0 HA LYS A 33 15.448 -3.832 -1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 33 17.411 -3.534 -2.681 1.00 0.00 H new ATOM 0 HB3 LYS A 33 18.468 -3.483 -1.284 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.523 -5.729 -0.548 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.588 -5.784 -2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.627 -5.749 -3.401 1.00 0.00 H new ATOM 0 HD3 LYS A 33 19.629 -5.445 -1.996 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.800 -7.819 -2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.792 -7.663 -1.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.866 -9.188 -2.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.820 -7.895 -2.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 17.731 -7.890 -3.799 1.00 0.00 H new ATOM 563 N GLU A 34 17.706 -2.922 1.179 1.00 0.00 N ATOM 564 CA GLU A 34 18.053 -3.114 2.621 1.00 0.00 C ATOM 565 C GLU A 34 16.790 -2.949 3.477 1.00 0.00 C ATOM 566 O GLU A 34 16.620 -3.621 4.475 1.00 0.00 O ATOM 567 CB GLU A 34 19.098 -2.079 3.043 1.00 0.00 C ATOM 568 CG GLU A 34 19.595 -2.402 4.454 1.00 0.00 C ATOM 569 CD GLU A 34 20.652 -1.377 4.871 1.00 0.00 C ATOM 570 OE1 GLU A 34 20.268 -0.311 5.324 1.00 0.00 O ATOM 571 OE2 GLU A 34 21.826 -1.676 4.731 1.00 0.00 O ATOM 0 H GLU A 34 18.324 -2.299 0.659 1.00 0.00 H new ATOM 0 HA GLU A 34 18.461 -4.115 2.764 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.933 -2.083 2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 34 18.665 -1.079 3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.762 -2.387 5.157 1.00 0.00 H new ATOM 0 HG3 GLU A 34 20.017 -3.407 4.481 1.00 0.00 H new ATOM 578 N LEU A 35 15.899 -2.073 3.098 1.00 0.00 N ATOM 579 CA LEU A 35 14.653 -1.893 3.901 1.00 0.00 C ATOM 580 C LEU A 35 13.784 -3.149 3.776 1.00 0.00 C ATOM 581 O LEU A 35 13.223 -3.615 4.747 1.00 0.00 O ATOM 582 CB LEU A 35 13.883 -0.662 3.402 1.00 0.00 C ATOM 583 CG LEU A 35 12.622 -0.435 4.252 1.00 0.00 C ATOM 584 CD1 LEU A 35 13.004 -0.165 5.719 1.00 0.00 C ATOM 585 CD2 LEU A 35 11.855 0.767 3.688 1.00 0.00 C ATOM 0 H LEU A 35 15.978 -1.478 2.273 1.00 0.00 H new ATOM 0 HA LEU A 35 14.913 -1.740 4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.524 0.219 3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.605 -0.799 2.357 1.00 0.00 H new ATOM 0 HG LEU A 35 11.997 -1.328 4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.100 -0.006 6.307 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.550 -1.021 6.116 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.633 0.724 5.774 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.958 0.938 4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.489 1.653 3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.572 0.566 2.655 1.00 0.00 H new ATOM 597 N ILE A 36 13.680 -3.721 2.606 1.00 0.00 N ATOM 598 CA ILE A 36 12.863 -4.961 2.446 1.00 0.00 C ATOM 599 C ILE A 36 13.367 -6.041 3.405 1.00 0.00 C ATOM 600 O ILE A 36 12.596 -6.741 4.030 1.00 0.00 O ATOM 601 CB ILE A 36 13.003 -5.464 1.004 1.00 0.00 C ATOM 602 CG1 ILE A 36 12.357 -4.443 0.061 1.00 0.00 C ATOM 603 CG2 ILE A 36 12.297 -6.820 0.862 1.00 0.00 C ATOM 604 CD1 ILE A 36 12.600 -4.842 -1.397 1.00 0.00 C ATOM 0 H ILE A 36 14.126 -3.383 1.753 1.00 0.00 H new ATOM 0 HA ILE A 36 11.819 -4.741 2.669 1.00 0.00 H new ATOM 0 HB ILE A 36 14.057 -5.584 0.752 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.286 -4.384 0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.770 -3.452 0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 36 12.397 -7.177 -0.163 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.752 -7.540 1.543 1.00 0.00 H new ATOM 0 HG23 ILE A 36 11.241 -6.707 1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.136 -4.109 -2.057 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.672 -4.878 -1.591 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.165 -5.824 -1.583 1.00 0.00 H new ATOM 616 N ASN A 37 14.658 -6.206 3.496 1.00 0.00 N ATOM 617 CA ASN A 37 15.220 -7.267 4.379 1.00 0.00 C ATOM 618 C ASN A 37 14.777 -7.068 5.832 1.00 0.00 C ATOM 619 O ASN A 37 14.286 -7.977 6.472 1.00 0.00 O ATOM 620 CB ASN A 37 16.747 -7.214 4.311 1.00 0.00 C ATOM 621 CG ASN A 37 17.192 -7.184 2.848 1.00 0.00 C ATOM 622 OD1 ASN A 37 16.397 -6.931 1.964 1.00 0.00 O ATOM 623 ND2 ASN A 37 18.437 -7.434 2.553 1.00 0.00 N ATOM 0 H ASN A 37 15.350 -5.649 2.995 1.00 0.00 H new ATOM 0 HA ASN A 37 14.853 -8.234 4.035 1.00 0.00 H new ATOM 0 HB2 ASN A 37 17.114 -6.330 4.832 1.00 0.00 H new ATOM 0 HB3 ASN A 37 17.174 -8.081 4.814 1.00 0.00 H new ATOM 0 HD21 ASN A 37 18.744 -7.417 1.580 1.00 0.00 H new ATOM 0 HD22 ASN A 37 19.104 -7.646 3.295 1.00 0.00 H new ATOM 630 N ASN A 38 14.974 -5.894 6.366 1.00 0.00 N ATOM 631 CA ASN A 38 14.599 -5.638 7.791 1.00 0.00 C ATOM 632 C ASN A 38 13.141 -5.182 7.908 1.00 0.00 C ATOM 633 O ASN A 38 12.678 -4.880 8.990 1.00 0.00 O ATOM 634 CB ASN A 38 15.505 -4.541 8.352 1.00 0.00 C ATOM 635 CG ASN A 38 16.934 -5.074 8.475 1.00 0.00 C ATOM 636 OD1 ASN A 38 17.311 -5.602 9.501 1.00 0.00 O ATOM 637 ND2 ASN A 38 17.750 -4.958 7.463 1.00 0.00 N ATOM 0 H ASN A 38 15.380 -5.096 5.877 1.00 0.00 H new ATOM 0 HA ASN A 38 14.718 -6.565 8.351 1.00 0.00 H new ATOM 0 HB2 ASN A 38 15.486 -3.669 7.699 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.141 -4.217 9.327 1.00 0.00 H new ATOM 0 HD21 ASN A 38 18.704 -5.311 7.534 1.00 0.00 H new ATOM 0 HD22 ASN A 38 17.433 -4.514 6.601 1.00 0.00 H new ATOM 644 N GLU A 39 12.414 -5.110 6.819 1.00 0.00 N ATOM 645 CA GLU A 39 10.986 -4.649 6.899 1.00 0.00 C ATOM 646 C GLU A 39 10.024 -5.827 6.731 1.00 0.00 C ATOM 647 O GLU A 39 8.936 -5.821 7.271 1.00 0.00 O ATOM 648 CB GLU A 39 10.724 -3.632 5.786 1.00 0.00 C ATOM 649 CG GLU A 39 9.260 -3.187 5.836 1.00 0.00 C ATOM 650 CD GLU A 39 9.085 -1.911 5.010 1.00 0.00 C ATOM 651 OE1 GLU A 39 9.047 -2.015 3.795 1.00 0.00 O ATOM 652 OE2 GLU A 39 8.992 -0.851 5.607 1.00 0.00 O ATOM 0 H GLU A 39 12.742 -5.348 5.883 1.00 0.00 H new ATOM 0 HA GLU A 39 10.821 -4.196 7.877 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.381 -2.771 5.904 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.948 -4.074 4.815 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.616 -3.976 5.447 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.958 -3.009 6.868 1.00 0.00 H new ATOM 659 N LEU A 40 10.412 -6.838 5.990 1.00 0.00 N ATOM 660 CA LEU A 40 9.517 -8.027 5.785 1.00 0.00 C ATOM 661 C LEU A 40 10.234 -9.301 6.236 1.00 0.00 C ATOM 662 O LEU A 40 9.941 -10.387 5.777 1.00 0.00 O ATOM 663 CB LEU A 40 9.163 -8.148 4.300 1.00 0.00 C ATOM 664 CG LEU A 40 8.553 -6.832 3.799 1.00 0.00 C ATOM 665 CD1 LEU A 40 8.296 -6.931 2.291 1.00 0.00 C ATOM 666 CD2 LEU A 40 7.226 -6.557 4.529 1.00 0.00 C ATOM 0 H LEU A 40 11.313 -6.893 5.516 1.00 0.00 H new ATOM 0 HA LEU A 40 8.608 -7.896 6.372 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.056 -8.388 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.458 -8.966 4.151 1.00 0.00 H new ATOM 0 HG LEU A 40 9.247 -6.016 4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.863 -5.997 1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.237 -7.116 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.605 -7.751 2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.799 -5.621 4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.529 -7.372 4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.409 -6.483 5.601 1.00 0.00 H new ATOM 678 N SER A 41 11.171 -9.173 7.135 1.00 0.00 N ATOM 679 CA SER A 41 11.910 -10.371 7.625 1.00 0.00 C ATOM 680 C SER A 41 10.918 -11.405 8.162 1.00 0.00 C ATOM 681 O SER A 41 10.864 -12.525 7.693 1.00 0.00 O ATOM 682 CB SER A 41 12.864 -9.954 8.745 1.00 0.00 C ATOM 683 OG SER A 41 13.676 -11.063 9.107 1.00 0.00 O ATOM 0 H SER A 41 11.457 -8.288 7.553 1.00 0.00 H new ATOM 0 HA SER A 41 12.477 -10.808 6.803 1.00 0.00 H new ATOM 0 HB2 SER A 41 13.488 -9.123 8.416 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.299 -9.605 9.609 1.00 0.00 H new ATOM 0 HG SER A 41 14.290 -10.799 9.824 1.00 0.00 H new ATOM 689 N HIS A 42 10.135 -11.046 9.142 1.00 0.00 N ATOM 690 CA HIS A 42 9.155 -12.019 9.703 1.00 0.00 C ATOM 691 C HIS A 42 8.150 -12.422 8.622 1.00 0.00 C ATOM 692 O HIS A 42 7.811 -13.579 8.477 1.00 0.00 O ATOM 693 CB HIS A 42 8.408 -11.373 10.872 1.00 0.00 C ATOM 694 CG HIS A 42 9.395 -10.731 11.807 1.00 0.00 C ATOM 695 ND1 HIS A 42 10.251 -9.721 11.399 1.00 0.00 N ATOM 696 CD2 HIS A 42 9.672 -10.945 13.135 1.00 0.00 C ATOM 697 CE1 HIS A 42 10.996 -9.367 12.463 1.00 0.00 C ATOM 698 NE2 HIS A 42 10.684 -10.082 13.546 1.00 0.00 N ATOM 0 H HIS A 42 10.131 -10.124 9.578 1.00 0.00 H new ATOM 0 HA HIS A 42 9.687 -12.904 10.051 1.00 0.00 H new ATOM 0 HB2 HIS A 42 7.705 -10.627 10.500 1.00 0.00 H new ATOM 0 HB3 HIS A 42 7.824 -12.124 11.403 1.00 0.00 H new ATOM 0 HD2 HIS A 42 9.180 -11.672 13.764 1.00 0.00 H new ATOM 0 HE1 HIS A 42 11.754 -8.598 12.443 1.00 0.00 H new ATOM 0 HE2 HIS A 42 11.098 -10.011 14.475 1.00 0.00 H new ATOM 706 N PHE A 43 7.666 -11.475 7.865 1.00 0.00 N ATOM 707 CA PHE A 43 6.679 -11.804 6.798 1.00 0.00 C ATOM 708 C PHE A 43 7.311 -12.804 5.818 1.00 0.00 C ATOM 709 O PHE A 43 6.633 -13.598 5.197 1.00 0.00 O ATOM 710 CB PHE A 43 6.277 -10.500 6.065 1.00 0.00 C ATOM 711 CG PHE A 43 4.777 -10.451 5.850 1.00 0.00 C ATOM 712 CD1 PHE A 43 3.929 -10.144 6.922 1.00 0.00 C ATOM 713 CD2 PHE A 43 4.238 -10.709 4.584 1.00 0.00 C ATOM 714 CE1 PHE A 43 2.544 -10.096 6.728 1.00 0.00 C ATOM 715 CE2 PHE A 43 2.852 -10.660 4.390 1.00 0.00 C ATOM 716 CZ PHE A 43 2.005 -10.354 5.462 1.00 0.00 C ATOM 0 H PHE A 43 7.912 -10.488 7.940 1.00 0.00 H new ATOM 0 HA PHE A 43 5.786 -12.255 7.231 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.595 -9.636 6.648 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.790 -10.443 5.105 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.344 -9.944 7.899 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.891 -10.946 3.757 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.891 -9.860 7.555 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.436 -10.858 3.413 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.936 -10.317 5.312 1.00 0.00 H new ATOM 726 N LEU A 44 8.606 -12.751 5.669 1.00 0.00 N ATOM 727 CA LEU A 44 9.296 -13.673 4.722 1.00 0.00 C ATOM 728 C LEU A 44 8.801 -15.107 4.937 1.00 0.00 C ATOM 729 O LEU A 44 8.461 -15.802 4.001 1.00 0.00 O ATOM 730 CB LEU A 44 10.814 -13.596 4.974 1.00 0.00 C ATOM 731 CG LEU A 44 11.610 -14.102 3.749 1.00 0.00 C ATOM 732 CD1 LEU A 44 13.036 -13.545 3.803 1.00 0.00 C ATOM 733 CD2 LEU A 44 11.680 -15.637 3.747 1.00 0.00 C ATOM 0 H LEU A 44 9.220 -12.105 6.165 1.00 0.00 H new ATOM 0 HA LEU A 44 9.078 -13.380 3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.097 -12.567 5.195 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.071 -14.192 5.850 1.00 0.00 H new ATOM 0 HG LEU A 44 11.105 -13.765 2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 44 13.599 -13.901 2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 44 13.002 -12.456 3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 44 13.524 -13.882 4.718 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.244 -15.974 2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.175 -15.980 4.656 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.671 -16.047 3.706 1.00 0.00 H new ATOM 745 N GLU A 45 8.760 -15.560 6.156 1.00 0.00 N ATOM 746 CA GLU A 45 8.296 -16.952 6.412 1.00 0.00 C ATOM 747 C GLU A 45 6.928 -17.179 5.762 1.00 0.00 C ATOM 748 O GLU A 45 6.637 -18.251 5.268 1.00 0.00 O ATOM 749 CB GLU A 45 8.185 -17.177 7.922 1.00 0.00 C ATOM 750 CG GLU A 45 8.058 -18.674 8.209 1.00 0.00 C ATOM 751 CD GLU A 45 7.849 -18.889 9.709 1.00 0.00 C ATOM 752 OE1 GLU A 45 8.837 -18.980 10.418 1.00 0.00 O ATOM 753 OE2 GLU A 45 6.703 -18.959 10.123 1.00 0.00 O ATOM 0 H GLU A 45 9.027 -15.030 6.985 1.00 0.00 H new ATOM 0 HA GLU A 45 9.013 -17.653 5.984 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.063 -16.773 8.426 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.319 -16.646 8.316 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.221 -19.093 7.651 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.955 -19.196 7.877 1.00 0.00 H new ATOM 760 N GLU A 46 6.080 -16.189 5.775 1.00 0.00 N ATOM 761 CA GLU A 46 4.721 -16.358 5.176 1.00 0.00 C ATOM 762 C GLU A 46 4.765 -16.157 3.654 1.00 0.00 C ATOM 763 O GLU A 46 4.066 -15.321 3.117 1.00 0.00 O ATOM 764 CB GLU A 46 3.769 -15.330 5.796 1.00 0.00 C ATOM 765 CG GLU A 46 2.319 -15.742 5.530 1.00 0.00 C ATOM 766 CD GLU A 46 1.375 -14.778 6.250 1.00 0.00 C ATOM 767 OE1 GLU A 46 1.063 -13.747 5.678 1.00 0.00 O ATOM 768 OE2 GLU A 46 0.981 -15.088 7.363 1.00 0.00 O ATOM 0 H GLU A 46 6.267 -15.269 6.174 1.00 0.00 H new ATOM 0 HA GLU A 46 4.371 -17.370 5.381 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.945 -15.258 6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.960 -14.343 5.375 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.118 -15.733 4.459 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.150 -16.761 5.877 1.00 0.00 H new ATOM 775 N ILE A 47 5.560 -16.933 2.954 1.00 0.00 N ATOM 776 CA ILE A 47 5.633 -16.811 1.457 1.00 0.00 C ATOM 777 C ILE A 47 5.380 -18.187 0.835 1.00 0.00 C ATOM 778 O ILE A 47 5.558 -19.207 1.471 1.00 0.00 O ATOM 779 CB ILE A 47 7.023 -16.315 1.036 1.00 0.00 C ATOM 780 CG1 ILE A 47 7.202 -14.860 1.482 1.00 0.00 C ATOM 781 CG2 ILE A 47 7.155 -16.397 -0.491 1.00 0.00 C ATOM 782 CD1 ILE A 47 8.657 -14.430 1.270 1.00 0.00 C ATOM 0 H ILE A 47 6.165 -17.650 3.355 1.00 0.00 H new ATOM 0 HA ILE A 47 4.882 -16.099 1.115 1.00 0.00 H new ATOM 0 HB ILE A 47 7.787 -16.937 1.503 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.535 -14.211 0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.931 -14.756 2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.142 -16.045 -0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.026 -17.430 -0.812 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.391 -15.774 -0.956 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.781 -13.395 1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.315 -15.071 1.857 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.912 -14.518 0.214 1.00 0.00 H new ATOM 794 N LYS A 48 4.980 -18.228 -0.413 1.00 0.00 N ATOM 795 CA LYS A 48 4.733 -19.541 -1.084 1.00 0.00 C ATOM 796 C LYS A 48 5.125 -19.419 -2.560 1.00 0.00 C ATOM 797 O LYS A 48 5.756 -20.292 -3.122 1.00 0.00 O ATOM 798 CB LYS A 48 3.250 -19.907 -0.970 1.00 0.00 C ATOM 799 CG LYS A 48 2.883 -20.105 0.503 1.00 0.00 C ATOM 800 CD LYS A 48 1.444 -20.616 0.608 1.00 0.00 C ATOM 801 CE LYS A 48 0.999 -20.600 2.072 1.00 0.00 C ATOM 802 NZ LYS A 48 0.731 -19.196 2.494 1.00 0.00 N ATOM 0 H LYS A 48 4.814 -17.407 -0.996 1.00 0.00 H new ATOM 0 HA LYS A 48 5.326 -20.321 -0.607 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.636 -19.119 -1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.045 -20.818 -1.532 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.567 -20.816 0.967 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.986 -19.164 1.044 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.781 -19.992 0.009 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.377 -21.628 0.208 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.102 -21.206 2.197 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.771 -21.040 2.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.152 -19.198 3.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.632 -18.712 2.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.222 -18.697 1.737 1.00 0.00 H new ATOM 816 N GLU A 49 4.765 -18.328 -3.183 1.00 0.00 N ATOM 817 CA GLU A 49 5.122 -18.122 -4.618 1.00 0.00 C ATOM 818 C GLU A 49 6.534 -17.533 -4.695 1.00 0.00 C ATOM 819 O GLU A 49 6.729 -16.412 -5.121 1.00 0.00 O ATOM 820 CB GLU A 49 4.128 -17.150 -5.257 1.00 0.00 C ATOM 821 CG GLU A 49 2.698 -17.618 -4.979 1.00 0.00 C ATOM 822 CD GLU A 49 2.460 -18.965 -5.663 1.00 0.00 C ATOM 823 OE1 GLU A 49 2.261 -18.969 -6.866 1.00 0.00 O ATOM 824 OE2 GLU A 49 2.482 -19.970 -4.972 1.00 0.00 O ATOM 0 H GLU A 49 4.236 -17.567 -2.757 1.00 0.00 H new ATOM 0 HA GLU A 49 5.086 -19.073 -5.150 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.277 -16.147 -4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.300 -17.093 -6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.536 -17.710 -3.905 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.985 -16.880 -5.347 1.00 0.00 H new ATOM 831 N GLN A 50 7.514 -18.275 -4.261 1.00 0.00 N ATOM 832 CA GLN A 50 8.915 -17.762 -4.273 1.00 0.00 C ATOM 833 C GLN A 50 9.242 -17.091 -5.613 1.00 0.00 C ATOM 834 O GLN A 50 10.054 -16.190 -5.680 1.00 0.00 O ATOM 835 CB GLN A 50 9.878 -18.930 -4.055 1.00 0.00 C ATOM 836 CG GLN A 50 11.302 -18.393 -3.890 1.00 0.00 C ATOM 837 CD GLN A 50 12.207 -19.502 -3.353 1.00 0.00 C ATOM 838 OE1 GLN A 50 12.115 -19.873 -2.200 1.00 0.00 O ATOM 839 NE2 GLN A 50 13.086 -20.051 -4.146 1.00 0.00 N ATOM 0 H GLN A 50 7.405 -19.221 -3.896 1.00 0.00 H new ATOM 0 HA GLN A 50 9.021 -17.025 -3.477 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.586 -19.496 -3.170 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.832 -19.616 -4.901 1.00 0.00 H new ATOM 0 HG2 GLN A 50 11.679 -18.033 -4.847 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.305 -17.544 -3.206 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.164 -19.740 -5.114 1.00 0.00 H new ATOM 0 HE22 GLN A 50 13.695 -20.791 -3.798 1.00 0.00 H new ATOM 848 N GLU A 51 8.633 -17.531 -6.681 1.00 0.00 N ATOM 849 CA GLU A 51 8.935 -16.921 -8.010 1.00 0.00 C ATOM 850 C GLU A 51 8.347 -15.510 -8.094 1.00 0.00 C ATOM 851 O GLU A 51 8.844 -14.674 -8.824 1.00 0.00 O ATOM 852 CB GLU A 51 8.382 -17.796 -9.137 1.00 0.00 C ATOM 853 CG GLU A 51 8.742 -17.177 -10.489 1.00 0.00 C ATOM 854 CD GLU A 51 8.484 -18.194 -11.602 1.00 0.00 C ATOM 855 OE1 GLU A 51 7.382 -18.715 -11.659 1.00 0.00 O ATOM 856 OE2 GLU A 51 9.393 -18.435 -12.380 1.00 0.00 O ATOM 0 H GLU A 51 7.943 -18.282 -6.692 1.00 0.00 H new ATOM 0 HA GLU A 51 10.017 -16.854 -8.123 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.794 -18.803 -9.065 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.300 -17.887 -9.043 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.149 -16.278 -10.659 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.789 -16.874 -10.495 1.00 0.00 H new ATOM 863 N VAL A 52 7.335 -15.209 -7.333 1.00 0.00 N ATOM 864 CA VAL A 52 6.790 -13.823 -7.366 1.00 0.00 C ATOM 865 C VAL A 52 7.784 -12.924 -6.634 1.00 0.00 C ATOM 866 O VAL A 52 8.175 -11.887 -7.131 1.00 0.00 O ATOM 867 CB VAL A 52 5.434 -13.777 -6.653 1.00 0.00 C ATOM 868 CG1 VAL A 52 5.007 -12.322 -6.439 1.00 0.00 C ATOM 869 CG2 VAL A 52 4.384 -14.485 -7.507 1.00 0.00 C ATOM 0 H VAL A 52 6.865 -15.853 -6.696 1.00 0.00 H new ATOM 0 HA VAL A 52 6.649 -13.491 -8.395 1.00 0.00 H new ATOM 0 HB VAL A 52 5.523 -14.275 -5.688 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.043 -12.297 -5.932 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.751 -11.810 -5.829 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.923 -11.822 -7.404 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.420 -14.452 -7.000 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.303 -13.986 -8.472 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.679 -15.523 -7.659 1.00 0.00 H new ATOM 879 N VAL A 53 8.208 -13.311 -5.467 1.00 0.00 N ATOM 880 CA VAL A 53 9.188 -12.471 -4.732 1.00 0.00 C ATOM 881 C VAL A 53 10.490 -12.427 -5.531 1.00 0.00 C ATOM 882 O VAL A 53 11.218 -11.456 -5.507 1.00 0.00 O ATOM 883 CB VAL A 53 9.447 -13.078 -3.353 1.00 0.00 C ATOM 884 CG1 VAL A 53 10.551 -12.291 -2.644 1.00 0.00 C ATOM 885 CG2 VAL A 53 8.162 -13.012 -2.524 1.00 0.00 C ATOM 0 H VAL A 53 7.921 -14.167 -4.993 1.00 0.00 H new ATOM 0 HA VAL A 53 8.797 -11.461 -4.607 1.00 0.00 H new ATOM 0 HB VAL A 53 9.760 -14.116 -3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.734 -12.726 -1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 53 11.466 -12.334 -3.236 1.00 0.00 H new ATOM 0 HG13 VAL A 53 10.241 -11.252 -2.529 1.00 0.00 H new ATOM 0 HG21 VAL A 53 8.342 -13.444 -1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.853 -11.972 -2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 53 7.375 -13.573 -3.028 1.00 0.00 H new ATOM 895 N ASP A 54 10.788 -13.485 -6.236 1.00 0.00 N ATOM 896 CA ASP A 54 12.040 -13.524 -7.039 1.00 0.00 C ATOM 897 C ASP A 54 12.023 -12.410 -8.088 1.00 0.00 C ATOM 898 O ASP A 54 12.986 -11.687 -8.252 1.00 0.00 O ATOM 899 CB ASP A 54 12.156 -14.878 -7.741 1.00 0.00 C ATOM 900 CG ASP A 54 13.576 -15.050 -8.284 1.00 0.00 C ATOM 901 OD1 ASP A 54 14.409 -15.567 -7.558 1.00 0.00 O ATOM 902 OD2 ASP A 54 13.807 -14.660 -9.417 1.00 0.00 O ATOM 0 H ASP A 54 10.214 -14.327 -6.289 1.00 0.00 H new ATOM 0 HA ASP A 54 12.893 -13.380 -6.375 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.922 -15.683 -7.044 1.00 0.00 H new ATOM 0 HB3 ASP A 54 11.434 -14.941 -8.555 1.00 0.00 H new ATOM 907 N LYS A 55 10.942 -12.272 -8.815 1.00 0.00 N ATOM 908 CA LYS A 55 10.891 -11.211 -9.863 1.00 0.00 C ATOM 909 C LYS A 55 10.920 -9.835 -9.200 1.00 0.00 C ATOM 910 O LYS A 55 11.403 -8.880 -9.777 1.00 0.00 O ATOM 911 CB LYS A 55 9.626 -11.364 -10.710 1.00 0.00 C ATOM 912 CG LYS A 55 9.812 -12.509 -11.709 1.00 0.00 C ATOM 913 CD LYS A 55 8.456 -12.888 -12.309 1.00 0.00 C ATOM 914 CE LYS A 55 8.665 -13.829 -13.498 1.00 0.00 C ATOM 915 NZ LYS A 55 9.165 -15.145 -13.009 1.00 0.00 N ATOM 0 H LYS A 55 10.101 -12.843 -8.729 1.00 0.00 H new ATOM 0 HA LYS A 55 11.758 -11.312 -10.516 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.768 -11.564 -10.068 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.417 -10.435 -11.241 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.500 -12.208 -12.499 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.255 -13.372 -11.211 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.836 -13.372 -11.554 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.926 -11.991 -12.631 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.728 -13.962 -14.039 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.378 -13.394 -14.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.043 -15.390 -13.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.352 -15.087 -11.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.449 -15.877 -13.189 1.00 0.00 H new ATOM 929 N VAL A 56 10.456 -9.715 -7.988 1.00 0.00 N ATOM 930 CA VAL A 56 10.522 -8.392 -7.310 1.00 0.00 C ATOM 931 C VAL A 56 11.996 -8.030 -7.129 1.00 0.00 C ATOM 932 O VAL A 56 12.451 -6.990 -7.563 1.00 0.00 O ATOM 933 CB VAL A 56 9.842 -8.486 -5.940 1.00 0.00 C ATOM 934 CG1 VAL A 56 10.109 -7.206 -5.143 1.00 0.00 C ATOM 935 CG2 VAL A 56 8.334 -8.658 -6.135 1.00 0.00 C ATOM 0 H VAL A 56 10.038 -10.468 -7.442 1.00 0.00 H new ATOM 0 HA VAL A 56 10.014 -7.631 -7.903 1.00 0.00 H new ATOM 0 HB VAL A 56 10.242 -9.341 -5.394 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.624 -7.276 -4.169 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.183 -7.080 -5.005 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.710 -6.349 -5.686 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.847 -8.725 -5.162 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.938 -7.802 -6.681 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.142 -9.570 -6.701 1.00 0.00 H new ATOM 945 N MET A 57 12.743 -8.885 -6.486 1.00 0.00 N ATOM 946 CA MET A 57 14.188 -8.600 -6.268 1.00 0.00 C ATOM 947 C MET A 57 14.861 -8.277 -7.608 1.00 0.00 C ATOM 948 O MET A 57 15.802 -7.511 -7.666 1.00 0.00 O ATOM 949 CB MET A 57 14.859 -9.829 -5.629 1.00 0.00 C ATOM 950 CG MET A 57 14.664 -9.803 -4.108 1.00 0.00 C ATOM 951 SD MET A 57 12.904 -9.625 -3.720 1.00 0.00 S ATOM 952 CE MET A 57 13.100 -9.178 -1.976 1.00 0.00 C ATOM 0 H MET A 57 12.413 -9.770 -6.102 1.00 0.00 H new ATOM 0 HA MET A 57 14.293 -7.743 -5.603 1.00 0.00 H new ATOM 0 HB2 MET A 57 14.432 -10.743 -6.043 1.00 0.00 H new ATOM 0 HB3 MET A 57 15.923 -9.838 -5.867 1.00 0.00 H new ATOM 0 HG2 MET A 57 15.052 -10.721 -3.666 1.00 0.00 H new ATOM 0 HG3 MET A 57 15.227 -8.977 -3.674 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.118 -9.053 -1.520 1.00 0.00 H new ATOM 0 HE2 MET A 57 13.644 -9.967 -1.457 1.00 0.00 H new ATOM 0 HE3 MET A 57 13.657 -8.244 -1.900 1.00 0.00 H new ATOM 962 N GLU A 58 14.376 -8.834 -8.695 1.00 0.00 N ATOM 963 CA GLU A 58 14.978 -8.532 -10.029 1.00 0.00 C ATOM 964 C GLU A 58 14.321 -7.279 -10.605 1.00 0.00 C ATOM 965 O GLU A 58 14.971 -6.457 -11.220 1.00 0.00 O ATOM 966 CB GLU A 58 14.789 -9.715 -10.981 1.00 0.00 C ATOM 967 CG GLU A 58 15.604 -9.480 -12.255 1.00 0.00 C ATOM 968 CD GLU A 58 15.602 -10.752 -13.105 1.00 0.00 C ATOM 969 OE1 GLU A 58 14.581 -11.419 -13.135 1.00 0.00 O ATOM 970 OE2 GLU A 58 16.620 -11.036 -13.713 1.00 0.00 O ATOM 0 H GLU A 58 13.590 -9.484 -8.713 1.00 0.00 H new ATOM 0 HA GLU A 58 16.048 -8.359 -9.910 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.108 -10.639 -10.498 1.00 0.00 H new ATOM 0 HB3 GLU A 58 13.734 -9.832 -11.228 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.181 -8.651 -12.822 1.00 0.00 H new ATOM 0 HG3 GLU A 58 16.627 -9.203 -11.999 1.00 0.00 H new ATOM 977 N THR A 59 13.043 -7.110 -10.402 1.00 0.00 N ATOM 978 CA THR A 59 12.375 -5.890 -10.933 1.00 0.00 C ATOM 979 C THR A 59 12.906 -4.689 -10.157 1.00 0.00 C ATOM 980 O THR A 59 13.262 -3.682 -10.737 1.00 0.00 O ATOM 981 CB THR A 59 10.858 -6.006 -10.777 1.00 0.00 C ATOM 982 OG1 THR A 59 10.432 -7.276 -11.251 1.00 0.00 O ATOM 983 CG2 THR A 59 10.176 -4.902 -11.586 1.00 0.00 C ATOM 0 H THR A 59 12.438 -7.757 -9.896 1.00 0.00 H new ATOM 0 HA THR A 59 12.589 -5.772 -11.995 1.00 0.00 H new ATOM 0 HB THR A 59 10.590 -5.901 -9.726 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.507 -7.936 -10.530 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.095 -4.985 -11.475 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.505 -3.928 -11.222 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.442 -5.005 -12.638 1.00 0.00 H new ATOM 991 N LEU A 60 13.021 -4.790 -8.864 1.00 0.00 N ATOM 992 CA LEU A 60 13.594 -3.661 -8.087 1.00 0.00 C ATOM 993 C LEU A 60 15.050 -3.483 -8.515 1.00 0.00 C ATOM 994 O LEU A 60 15.450 -2.426 -8.962 1.00 0.00 O ATOM 995 CB LEU A 60 13.540 -4.000 -6.591 1.00 0.00 C ATOM 996 CG LEU A 60 13.794 -2.731 -5.750 1.00 0.00 C ATOM 997 CD1 LEU A 60 12.484 -1.960 -5.544 1.00 0.00 C ATOM 998 CD2 LEU A 60 14.358 -3.126 -4.380 1.00 0.00 C ATOM 0 H LEU A 60 12.744 -5.603 -8.314 1.00 0.00 H new ATOM 0 HA LEU A 60 13.031 -2.746 -8.269 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.567 -4.423 -6.341 1.00 0.00 H new ATOM 0 HB3 LEU A 60 14.287 -4.758 -6.355 1.00 0.00 H new ATOM 0 HG LEU A 60 14.507 -2.099 -6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.677 -1.067 -4.949 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.076 -1.670 -6.512 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.766 -2.594 -5.024 1.00 0.00 H new ATOM 0 HD21 LEU A 60 14.537 -2.229 -3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 60 13.643 -3.766 -3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 60 15.296 -3.665 -4.514 1.00 0.00 H new ATOM 1010 N ASP A 61 15.847 -4.510 -8.393 1.00 0.00 N ATOM 1011 CA ASP A 61 17.272 -4.394 -8.805 1.00 0.00 C ATOM 1012 C ASP A 61 17.337 -3.804 -10.216 1.00 0.00 C ATOM 1013 O ASP A 61 18.355 -3.296 -10.641 1.00 0.00 O ATOM 1014 CB ASP A 61 17.922 -5.779 -8.799 1.00 0.00 C ATOM 1015 CG ASP A 61 19.402 -5.651 -9.161 1.00 0.00 C ATOM 1016 OD1 ASP A 61 19.686 -5.320 -10.301 1.00 0.00 O ATOM 1017 OD2 ASP A 61 20.226 -5.884 -8.293 1.00 0.00 O ATOM 0 H ASP A 61 15.572 -5.421 -8.027 1.00 0.00 H new ATOM 0 HA ASP A 61 17.804 -3.745 -8.109 1.00 0.00 H new ATOM 0 HB2 ASP A 61 17.816 -6.238 -7.816 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.418 -6.432 -9.512 1.00 0.00 H new ATOM 1022 N GLU A 62 16.247 -3.869 -10.944 1.00 0.00 N ATOM 1023 CA GLU A 62 16.220 -3.315 -12.336 1.00 0.00 C ATOM 1024 C GLU A 62 15.504 -1.971 -12.321 1.00 0.00 C ATOM 1025 O GLU A 62 14.709 -1.650 -13.181 1.00 0.00 O ATOM 1026 CB GLU A 62 15.473 -4.255 -13.237 1.00 0.00 C ATOM 1027 CG GLU A 62 16.334 -5.483 -13.547 1.00 0.00 C ATOM 1028 CD GLU A 62 17.396 -5.113 -14.585 1.00 0.00 C ATOM 1029 OE1 GLU A 62 18.434 -4.610 -14.189 1.00 0.00 O ATOM 1030 OE2 GLU A 62 17.152 -5.339 -15.759 1.00 0.00 O ATOM 0 H GLU A 62 15.369 -4.285 -10.632 1.00 0.00 H new ATOM 0 HA GLU A 62 17.240 -3.193 -12.700 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.542 -4.564 -12.761 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.204 -3.747 -14.163 1.00 0.00 H new ATOM 0 HG2 GLU A 62 16.811 -5.845 -12.636 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.709 -6.293 -13.923 1.00 0.00 H new ATOM 1037 N ASP A 63 15.802 -1.205 -11.347 1.00 0.00 N ATOM 1038 CA ASP A 63 15.186 0.146 -11.202 1.00 0.00 C ATOM 1039 C ASP A 63 15.175 0.854 -12.556 1.00 0.00 C ATOM 1040 O ASP A 63 14.248 1.562 -12.896 1.00 0.00 O ATOM 1041 CB ASP A 63 16.058 0.966 -10.245 1.00 0.00 C ATOM 1042 CG ASP A 63 17.493 1.005 -10.770 1.00 0.00 C ATOM 1043 OD1 ASP A 63 17.861 0.097 -11.497 1.00 0.00 O ATOM 1044 OD2 ASP A 63 18.200 1.942 -10.438 1.00 0.00 O ATOM 0 H ASP A 63 16.466 -1.448 -10.612 1.00 0.00 H new ATOM 0 HA ASP A 63 14.167 0.049 -10.827 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.665 1.979 -10.155 1.00 0.00 H new ATOM 0 HB3 ASP A 63 16.036 0.526 -9.248 1.00 0.00 H new ATOM 1049 N GLY A 64 16.188 0.618 -13.340 1.00 0.00 N ATOM 1050 CA GLY A 64 16.273 1.218 -14.710 1.00 0.00 C ATOM 1051 C GLY A 64 16.053 2.742 -14.696 1.00 0.00 C ATOM 1052 O GLY A 64 16.251 3.393 -15.702 1.00 0.00 O ATOM 0 H GLY A 64 16.978 0.024 -13.089 1.00 0.00 H new ATOM 0 HA2 GLY A 64 17.250 0.998 -15.140 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.528 0.752 -15.355 1.00 0.00 H new ATOM 1056 N ASP A 65 15.652 3.327 -13.586 1.00 0.00 N ATOM 1057 CA ASP A 65 15.432 4.823 -13.551 1.00 0.00 C ATOM 1058 C ASP A 65 16.576 5.561 -12.805 1.00 0.00 C ATOM 1059 O ASP A 65 16.880 6.687 -13.146 1.00 0.00 O ATOM 1060 CB ASP A 65 14.110 5.107 -12.835 1.00 0.00 C ATOM 1061 CG ASP A 65 14.034 4.274 -11.554 1.00 0.00 C ATOM 1062 OD1 ASP A 65 15.022 4.229 -10.840 1.00 0.00 O ATOM 1063 OD2 ASP A 65 12.988 3.696 -11.308 1.00 0.00 O ATOM 0 H ASP A 65 15.468 2.842 -12.708 1.00 0.00 H new ATOM 0 HA ASP A 65 15.412 5.187 -14.578 1.00 0.00 H new ATOM 0 HB2 ASP A 65 14.034 6.168 -12.597 1.00 0.00 H new ATOM 0 HB3 ASP A 65 13.271 4.866 -13.488 1.00 0.00 H new ATOM 1068 N GLY A 66 17.216 4.979 -11.808 1.00 0.00 N ATOM 1069 CA GLY A 66 18.317 5.698 -11.088 1.00 0.00 C ATOM 1070 C GLY A 66 17.796 6.205 -9.740 1.00 0.00 C ATOM 1071 O GLY A 66 18.544 6.350 -8.794 1.00 0.00 O ATOM 0 H GLY A 66 17.020 4.038 -11.466 1.00 0.00 H new ATOM 0 HA2 GLY A 66 19.164 5.029 -10.935 1.00 0.00 H new ATOM 0 HA3 GLY A 66 18.675 6.533 -11.690 1.00 0.00 H new ATOM 1075 N GLU A 67 16.514 6.460 -9.637 1.00 0.00 N ATOM 1076 CA GLU A 67 15.944 6.943 -8.336 1.00 0.00 C ATOM 1077 C GLU A 67 14.512 6.420 -8.178 1.00 0.00 C ATOM 1078 O GLU A 67 13.704 6.542 -9.078 1.00 0.00 O ATOM 1079 CB GLU A 67 15.937 8.474 -8.318 1.00 0.00 C ATOM 1080 CG GLU A 67 17.342 8.999 -8.622 1.00 0.00 C ATOM 1081 CD GLU A 67 17.396 10.504 -8.359 1.00 0.00 C ATOM 1082 OE1 GLU A 67 16.603 11.218 -8.951 1.00 0.00 O ATOM 1083 OE2 GLU A 67 18.229 10.917 -7.569 1.00 0.00 O ATOM 0 H GLU A 67 15.838 6.356 -10.394 1.00 0.00 H new ATOM 0 HA GLU A 67 16.556 6.574 -7.513 1.00 0.00 H new ATOM 0 HB2 GLU A 67 15.229 8.853 -9.055 1.00 0.00 H new ATOM 0 HB3 GLU A 67 15.606 8.835 -7.344 1.00 0.00 H new ATOM 0 HG2 GLU A 67 18.075 8.485 -8.001 1.00 0.00 H new ATOM 0 HG3 GLU A 67 17.602 8.792 -9.660 1.00 0.00 H new ATOM 1090 N CYS A 68 14.183 5.843 -7.042 1.00 0.00 N ATOM 1091 CA CYS A 68 12.793 5.315 -6.826 1.00 0.00 C ATOM 1092 C CYS A 68 12.051 6.222 -5.836 1.00 0.00 C ATOM 1093 O CYS A 68 12.535 6.510 -4.760 1.00 0.00 O ATOM 1094 CB CYS A 68 12.871 3.895 -6.258 1.00 0.00 C ATOM 1095 SG CYS A 68 14.138 2.958 -7.149 1.00 0.00 S ATOM 0 H CYS A 68 14.818 5.715 -6.254 1.00 0.00 H new ATOM 0 HA CYS A 68 12.257 5.298 -7.775 1.00 0.00 H new ATOM 0 HB2 CYS A 68 13.109 3.930 -5.195 1.00 0.00 H new ATOM 0 HB3 CYS A 68 11.904 3.400 -6.352 1.00 0.00 H new ATOM 0 HG CYS A 68 14.207 1.753 -6.666 1.00 0.00 H new ATOM 1101 N ASP A 69 10.880 6.678 -6.197 1.00 0.00 N ATOM 1102 CA ASP A 69 10.106 7.573 -5.284 1.00 0.00 C ATOM 1103 C ASP A 69 9.322 6.731 -4.269 1.00 0.00 C ATOM 1104 O ASP A 69 9.477 5.529 -4.192 1.00 0.00 O ATOM 1105 CB ASP A 69 9.129 8.418 -6.108 1.00 0.00 C ATOM 1106 CG ASP A 69 8.625 9.590 -5.263 1.00 0.00 C ATOM 1107 OD1 ASP A 69 9.401 10.500 -5.026 1.00 0.00 O ATOM 1108 OD2 ASP A 69 7.471 9.557 -4.869 1.00 0.00 O ATOM 0 H ASP A 69 10.425 6.469 -7.086 1.00 0.00 H new ATOM 0 HA ASP A 69 10.797 8.226 -4.751 1.00 0.00 H new ATOM 0 HB2 ASP A 69 9.622 8.790 -7.006 1.00 0.00 H new ATOM 0 HB3 ASP A 69 8.289 7.805 -6.436 1.00 0.00 H new ATOM 1113 N PHE A 70 8.473 7.358 -3.499 1.00 0.00 N ATOM 1114 CA PHE A 70 7.667 6.599 -2.496 1.00 0.00 C ATOM 1115 C PHE A 70 6.586 5.803 -3.231 1.00 0.00 C ATOM 1116 O PHE A 70 6.277 4.686 -2.867 1.00 0.00 O ATOM 1117 CB PHE A 70 7.024 7.583 -1.511 1.00 0.00 C ATOM 1118 CG PHE A 70 6.272 6.838 -0.429 1.00 0.00 C ATOM 1119 CD1 PHE A 70 5.018 6.272 -0.701 1.00 0.00 C ATOM 1120 CD2 PHE A 70 6.825 6.725 0.852 1.00 0.00 C ATOM 1121 CE1 PHE A 70 4.322 5.593 0.309 1.00 0.00 C ATOM 1122 CE2 PHE A 70 6.130 6.047 1.859 1.00 0.00 C ATOM 1123 CZ PHE A 70 4.879 5.481 1.588 1.00 0.00 C ATOM 0 H PHE A 70 8.302 8.363 -3.521 1.00 0.00 H new ATOM 0 HA PHE A 70 8.306 5.912 -1.941 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.793 8.210 -1.061 1.00 0.00 H new ATOM 0 HB3 PHE A 70 6.343 8.247 -2.044 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.589 6.359 -1.688 1.00 0.00 H new ATOM 0 HD2 PHE A 70 7.790 7.162 1.063 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.356 5.157 0.100 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.559 5.960 2.846 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.343 4.958 2.366 1.00 0.00 H new ATOM 1133 N GLN A 71 6.015 6.352 -4.265 1.00 0.00 N ATOM 1134 CA GLN A 71 4.967 5.600 -5.011 1.00 0.00 C ATOM 1135 C GLN A 71 5.523 4.228 -5.405 1.00 0.00 C ATOM 1136 O GLN A 71 4.817 3.239 -5.399 1.00 0.00 O ATOM 1137 CB GLN A 71 4.586 6.378 -6.272 1.00 0.00 C ATOM 1138 CG GLN A 71 3.426 5.672 -6.978 1.00 0.00 C ATOM 1139 CD GLN A 71 2.945 6.529 -8.150 1.00 0.00 C ATOM 1140 OE1 GLN A 71 3.341 6.313 -9.278 1.00 0.00 O ATOM 1141 NE2 GLN A 71 2.100 7.499 -7.930 1.00 0.00 N ATOM 0 H GLN A 71 6.226 7.283 -4.625 1.00 0.00 H new ATOM 0 HA GLN A 71 4.085 5.473 -4.384 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.300 7.397 -6.011 1.00 0.00 H new ATOM 0 HB3 GLN A 71 5.444 6.449 -6.941 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.746 4.693 -7.336 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.608 5.503 -6.277 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.767 7.681 -6.983 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.772 8.075 -8.705 1.00 0.00 H new ATOM 1150 N GLU A 72 6.780 4.157 -5.740 1.00 0.00 N ATOM 1151 CA GLU A 72 7.377 2.845 -6.125 1.00 0.00 C ATOM 1152 C GLU A 72 7.550 1.963 -4.882 1.00 0.00 C ATOM 1153 O GLU A 72 7.551 0.753 -4.961 1.00 0.00 O ATOM 1154 CB GLU A 72 8.734 3.071 -6.795 1.00 0.00 C ATOM 1155 CG GLU A 72 8.545 3.916 -8.056 1.00 0.00 C ATOM 1156 CD GLU A 72 7.743 3.121 -9.088 1.00 0.00 C ATOM 1157 OE1 GLU A 72 8.121 1.995 -9.363 1.00 0.00 O ATOM 1158 OE2 GLU A 72 6.763 3.653 -9.585 1.00 0.00 O ATOM 0 H GLU A 72 7.421 4.950 -5.764 1.00 0.00 H new ATOM 0 HA GLU A 72 6.711 2.342 -6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.413 3.573 -6.106 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.190 2.114 -7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.025 4.842 -7.811 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.515 4.194 -8.469 1.00 0.00 H new ATOM 1165 N PHE A 73 7.658 2.565 -3.730 1.00 0.00 N ATOM 1166 CA PHE A 73 7.795 1.773 -2.471 1.00 0.00 C ATOM 1167 C PHE A 73 6.431 1.192 -2.085 1.00 0.00 C ATOM 1168 O PHE A 73 6.342 0.063 -1.650 1.00 0.00 O ATOM 1169 CB PHE A 73 8.349 2.669 -1.355 1.00 0.00 C ATOM 1170 CG PHE A 73 8.238 1.975 -0.016 1.00 0.00 C ATOM 1171 CD1 PHE A 73 9.185 1.015 0.357 1.00 0.00 C ATOM 1172 CD2 PHE A 73 7.191 2.301 0.856 1.00 0.00 C ATOM 1173 CE1 PHE A 73 9.085 0.379 1.601 1.00 0.00 C ATOM 1174 CE2 PHE A 73 7.092 1.667 2.100 1.00 0.00 C ATOM 1175 CZ PHE A 73 8.039 0.706 2.473 1.00 0.00 C ATOM 0 H PHE A 73 7.657 3.577 -3.604 1.00 0.00 H new ATOM 0 HA PHE A 73 8.492 0.949 -2.624 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.391 2.913 -1.560 1.00 0.00 H new ATOM 0 HB3 PHE A 73 7.800 3.611 -1.330 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.993 0.764 -0.314 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.460 3.042 0.568 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.815 -0.364 1.888 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.285 1.919 2.772 1.00 0.00 H new ATOM 0 HZ PHE A 73 7.963 0.217 3.433 1.00 0.00 H new ATOM 1185 N MET A 74 5.370 1.924 -2.236 1.00 0.00 N ATOM 1186 CA MET A 74 4.048 1.348 -1.863 1.00 0.00 C ATOM 1187 C MET A 74 3.668 0.254 -2.871 1.00 0.00 C ATOM 1188 O MET A 74 2.977 -0.684 -2.525 1.00 0.00 O ATOM 1189 CB MET A 74 2.980 2.449 -1.843 1.00 0.00 C ATOM 1190 CG MET A 74 1.813 2.024 -0.943 1.00 0.00 C ATOM 1191 SD MET A 74 2.330 2.122 0.795 1.00 0.00 S ATOM 1192 CE MET A 74 2.114 0.376 1.235 1.00 0.00 C ATOM 0 H MET A 74 5.355 2.879 -2.594 1.00 0.00 H new ATOM 0 HA MET A 74 4.111 0.911 -0.866 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.412 3.381 -1.478 1.00 0.00 H new ATOM 0 HB3 MET A 74 2.621 2.639 -2.855 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.952 2.670 -1.115 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.503 1.008 -1.186 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.595 0.180 2.193 1.00 0.00 H new ATOM 0 HE2 MET A 74 1.051 0.148 1.309 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.567 -0.251 0.467 1.00 0.00 H new ATOM 1202 N ALA A 75 4.107 0.330 -4.097 1.00 0.00 N ATOM 1203 CA ALA A 75 3.759 -0.742 -5.080 1.00 0.00 C ATOM 1204 C ALA A 75 4.649 -1.977 -4.877 1.00 0.00 C ATOM 1205 O ALA A 75 4.153 -3.069 -4.682 1.00 0.00 O ATOM 1206 CB ALA A 75 3.964 -0.204 -6.498 1.00 0.00 C ATOM 0 H ALA A 75 4.689 1.083 -4.462 1.00 0.00 H new ATOM 0 HA ALA A 75 2.719 -1.032 -4.929 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.712 -0.980 -7.221 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.320 0.661 -6.655 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.005 0.090 -6.629 1.00 0.00 H new ATOM 1212 N PHE A 76 5.946 -1.838 -4.934 1.00 0.00 N ATOM 1213 CA PHE A 76 6.818 -3.041 -4.756 1.00 0.00 C ATOM 1214 C PHE A 76 6.505 -3.708 -3.411 1.00 0.00 C ATOM 1215 O PHE A 76 6.594 -4.911 -3.268 1.00 0.00 O ATOM 1216 CB PHE A 76 8.303 -2.634 -4.803 1.00 0.00 C ATOM 1217 CG PHE A 76 8.755 -2.464 -6.243 1.00 0.00 C ATOM 1218 CD1 PHE A 76 8.710 -3.551 -7.130 1.00 0.00 C ATOM 1219 CD2 PHE A 76 9.216 -1.219 -6.695 1.00 0.00 C ATOM 1220 CE1 PHE A 76 9.121 -3.389 -8.458 1.00 0.00 C ATOM 1221 CE2 PHE A 76 9.628 -1.061 -8.022 1.00 0.00 C ATOM 1222 CZ PHE A 76 9.579 -2.144 -8.904 1.00 0.00 C ATOM 0 H PHE A 76 6.437 -0.958 -5.094 1.00 0.00 H new ATOM 0 HA PHE A 76 6.621 -3.745 -5.565 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.450 -1.703 -4.256 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.911 -3.393 -4.310 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.358 -4.513 -6.787 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.253 -0.380 -6.016 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.085 -4.226 -9.140 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.984 -0.101 -8.366 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.894 -2.020 -9.929 1.00 0.00 H new ATOM 1232 N VAL A 77 6.142 -2.937 -2.429 1.00 0.00 N ATOM 1233 CA VAL A 77 5.825 -3.531 -1.098 1.00 0.00 C ATOM 1234 C VAL A 77 4.516 -4.327 -1.187 1.00 0.00 C ATOM 1235 O VAL A 77 4.338 -5.319 -0.509 1.00 0.00 O ATOM 1236 CB VAL A 77 5.687 -2.409 -0.061 1.00 0.00 C ATOM 1237 CG1 VAL A 77 5.117 -2.973 1.246 1.00 0.00 C ATOM 1238 CG2 VAL A 77 7.066 -1.795 0.211 1.00 0.00 C ATOM 0 H VAL A 77 6.050 -1.923 -2.487 1.00 0.00 H new ATOM 0 HA VAL A 77 6.628 -4.203 -0.796 1.00 0.00 H new ATOM 0 HB VAL A 77 5.012 -1.645 -0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.022 -2.171 1.978 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.136 -3.410 1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.787 -3.740 1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.970 -0.997 0.948 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.737 -2.564 0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.472 -1.387 -0.715 1.00 0.00 H new ATOM 1248 N SER A 78 3.598 -3.898 -2.008 1.00 0.00 N ATOM 1249 CA SER A 78 2.302 -4.630 -2.129 1.00 0.00 C ATOM 1250 C SER A 78 2.521 -5.989 -2.802 1.00 0.00 C ATOM 1251 O SER A 78 2.033 -7.001 -2.339 1.00 0.00 O ATOM 1252 CB SER A 78 1.330 -3.801 -2.970 1.00 0.00 C ATOM 1253 OG SER A 78 0.049 -4.417 -2.950 1.00 0.00 O ATOM 0 H SER A 78 3.687 -3.073 -2.601 1.00 0.00 H new ATOM 0 HA SER A 78 1.890 -4.789 -1.132 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.265 -2.786 -2.577 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.693 -3.723 -3.995 1.00 0.00 H new ATOM 0 HG SER A 78 -0.420 -4.224 -3.789 1.00 0.00 H new ATOM 1259 N MET A 79 3.227 -6.028 -3.897 1.00 0.00 N ATOM 1260 CA MET A 79 3.440 -7.329 -4.593 1.00 0.00 C ATOM 1261 C MET A 79 4.024 -8.354 -3.622 1.00 0.00 C ATOM 1262 O MET A 79 3.513 -9.446 -3.480 1.00 0.00 O ATOM 1263 CB MET A 79 4.406 -7.126 -5.762 1.00 0.00 C ATOM 1264 CG MET A 79 3.920 -5.960 -6.624 1.00 0.00 C ATOM 1265 SD MET A 79 4.843 -5.933 -8.181 1.00 0.00 S ATOM 1266 CE MET A 79 4.637 -4.171 -8.537 1.00 0.00 C ATOM 0 H MET A 79 3.664 -5.220 -4.339 1.00 0.00 H new ATOM 0 HA MET A 79 2.483 -7.696 -4.965 1.00 0.00 H new ATOM 0 HB2 MET A 79 5.410 -6.923 -5.388 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.467 -8.035 -6.361 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.853 -6.061 -6.823 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.057 -5.019 -6.092 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.138 -3.928 -9.474 1.00 0.00 H new ATOM 0 HE2 MET A 79 3.575 -3.939 -8.623 1.00 0.00 H new ATOM 0 HE3 MET A 79 5.073 -3.583 -7.729 1.00 0.00 H new ATOM 1276 N VAL A 80 5.096 -8.020 -2.967 1.00 0.00 N ATOM 1277 CA VAL A 80 5.713 -8.994 -2.019 1.00 0.00 C ATOM 1278 C VAL A 80 4.664 -9.458 -1.006 1.00 0.00 C ATOM 1279 O VAL A 80 4.498 -10.638 -0.769 1.00 0.00 O ATOM 1280 CB VAL A 80 6.875 -8.328 -1.277 1.00 0.00 C ATOM 1281 CG1 VAL A 80 7.534 -9.346 -0.344 1.00 0.00 C ATOM 1282 CG2 VAL A 80 7.908 -7.822 -2.288 1.00 0.00 C ATOM 0 H VAL A 80 5.573 -7.121 -3.043 1.00 0.00 H new ATOM 0 HA VAL A 80 6.085 -9.852 -2.579 1.00 0.00 H new ATOM 0 HB VAL A 80 6.497 -7.488 -0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.361 -8.873 0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.801 -9.706 0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 80 7.910 -10.185 -0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.734 -7.348 -1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.286 -8.661 -2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.441 -7.096 -2.954 1.00 0.00 H new ATOM 1292 N THR A 81 3.942 -8.544 -0.416 1.00 0.00 N ATOM 1293 CA THR A 81 2.898 -8.945 0.564 1.00 0.00 C ATOM 1294 C THR A 81 1.778 -9.670 -0.186 1.00 0.00 C ATOM 1295 O THR A 81 1.240 -10.657 0.276 1.00 0.00 O ATOM 1296 CB THR A 81 2.338 -7.693 1.250 1.00 0.00 C ATOM 1297 OG1 THR A 81 2.200 -6.654 0.291 1.00 0.00 O ATOM 1298 CG2 THR A 81 3.290 -7.240 2.359 1.00 0.00 C ATOM 0 H THR A 81 4.031 -7.540 -0.571 1.00 0.00 H new ATOM 0 HA THR A 81 3.323 -9.605 1.320 1.00 0.00 H new ATOM 0 HB THR A 81 1.365 -7.924 1.684 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.008 -6.100 0.291 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.887 -6.350 2.843 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.397 -8.037 3.095 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.265 -7.010 1.930 1.00 0.00 H new ATOM 1306 N THR A 82 1.432 -9.187 -1.348 1.00 0.00 N ATOM 1307 CA THR A 82 0.357 -9.842 -2.145 1.00 0.00 C ATOM 1308 C THR A 82 0.880 -11.164 -2.708 1.00 0.00 C ATOM 1309 O THR A 82 0.120 -12.036 -3.080 1.00 0.00 O ATOM 1310 CB THR A 82 -0.060 -8.923 -3.296 1.00 0.00 C ATOM 1311 OG1 THR A 82 -0.214 -7.597 -2.808 1.00 0.00 O ATOM 1312 CG2 THR A 82 -1.386 -9.410 -3.885 1.00 0.00 C ATOM 0 H THR A 82 1.850 -8.363 -1.781 1.00 0.00 H new ATOM 0 HA THR A 82 -0.506 -10.033 -1.507 1.00 0.00 H new ATOM 0 HB THR A 82 0.706 -8.939 -4.071 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.646 -7.271 -2.469 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.682 -8.755 -4.704 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.267 -10.427 -4.258 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.155 -9.395 -3.112 1.00 0.00 H new ATOM 1320 N ALA A 83 2.175 -11.322 -2.771 1.00 0.00 N ATOM 1321 CA ALA A 83 2.745 -12.588 -3.308 1.00 0.00 C ATOM 1322 C ALA A 83 2.153 -13.766 -2.537 1.00 0.00 C ATOM 1323 O ALA A 83 1.727 -14.747 -3.113 1.00 0.00 O ATOM 1324 CB ALA A 83 4.265 -12.575 -3.135 1.00 0.00 C ATOM 0 H ALA A 83 2.861 -10.628 -2.474 1.00 0.00 H new ATOM 0 HA ALA A 83 2.504 -12.683 -4.367 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.684 -13.502 -3.528 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.686 -11.728 -3.677 1.00 0.00 H new ATOM 0 HB3 ALA A 83 4.510 -12.486 -2.077 1.00 0.00 H new ATOM 1330 N CYS A 84 2.113 -13.671 -1.237 1.00 0.00 N ATOM 1331 CA CYS A 84 1.535 -14.782 -0.431 1.00 0.00 C ATOM 1332 C CYS A 84 0.012 -14.752 -0.572 1.00 0.00 C ATOM 1333 O CYS A 84 -0.714 -14.687 0.400 1.00 0.00 O ATOM 1334 CB CYS A 84 1.918 -14.602 1.040 1.00 0.00 C ATOM 1335 SG CYS A 84 1.191 -13.069 1.670 1.00 0.00 S ATOM 0 H CYS A 84 2.455 -12.874 -0.699 1.00 0.00 H new ATOM 0 HA CYS A 84 1.921 -15.738 -0.786 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.566 -15.451 1.625 1.00 0.00 H new ATOM 0 HB3 CYS A 84 3.003 -14.572 1.143 1.00 0.00 H new ATOM 0 HG CYS A 84 1.532 -12.079 0.900 1.00 0.00 H new ATOM 1341 N HIS A 85 -0.475 -14.791 -1.784 1.00 0.00 N ATOM 1342 CA HIS A 85 -1.948 -14.756 -2.006 1.00 0.00 C ATOM 1343 C HIS A 85 -2.638 -15.773 -1.095 1.00 0.00 C ATOM 1344 O HIS A 85 -1.998 -16.519 -0.380 1.00 0.00 O ATOM 1345 CB HIS A 85 -2.246 -15.098 -3.467 1.00 0.00 C ATOM 1346 CG HIS A 85 -3.714 -14.915 -3.738 1.00 0.00 C ATOM 1347 ND1 HIS A 85 -4.571 -15.990 -3.915 1.00 0.00 N ATOM 1348 CD2 HIS A 85 -4.490 -13.790 -3.865 1.00 0.00 C ATOM 1349 CE1 HIS A 85 -5.802 -15.493 -4.138 1.00 0.00 C ATOM 1350 NE2 HIS A 85 -5.808 -14.158 -4.118 1.00 0.00 N ATOM 0 H HIS A 85 0.088 -14.846 -2.633 1.00 0.00 H new ATOM 0 HA HIS A 85 -2.323 -13.759 -1.776 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -1.661 -14.458 -4.128 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -1.952 -16.126 -3.678 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -4.316 -16.977 -3.882 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -4.132 -12.774 -3.781 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -6.678 -16.100 -4.312 1.00 0.00 H new ATOM 1358 N GLU A 86 -3.943 -15.807 -1.119 1.00 0.00 N ATOM 1359 CA GLU A 86 -4.684 -16.773 -0.260 1.00 0.00 C ATOM 1360 C GLU A 86 -4.316 -16.537 1.208 1.00 0.00 C ATOM 1361 O GLU A 86 -4.433 -17.417 2.037 1.00 0.00 O ATOM 1362 CB GLU A 86 -4.315 -18.206 -0.670 1.00 0.00 C ATOM 1363 CG GLU A 86 -5.395 -19.184 -0.189 1.00 0.00 C ATOM 1364 CD GLU A 86 -5.075 -20.590 -0.701 1.00 0.00 C ATOM 1365 OE1 GLU A 86 -4.527 -20.694 -1.785 1.00 0.00 O ATOM 1366 OE2 GLU A 86 -5.385 -21.538 0.002 1.00 0.00 O ATOM 0 H GLU A 86 -4.529 -15.206 -1.698 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.757 -16.629 -0.386 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -4.213 -18.268 -1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.350 -18.478 -0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.442 -19.184 0.900 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.374 -18.868 -0.550 1.00 0.00 H new ATOM 1373 N PHE A 87 -3.872 -15.356 1.540 1.00 0.00 N ATOM 1374 CA PHE A 87 -3.503 -15.080 2.956 1.00 0.00 C ATOM 1375 C PHE A 87 -4.757 -15.149 3.830 1.00 0.00 C ATOM 1376 O PHE A 87 -4.684 -15.410 5.014 1.00 0.00 O ATOM 1377 CB PHE A 87 -2.865 -13.694 3.071 1.00 0.00 C ATOM 1378 CG PHE A 87 -3.687 -12.683 2.311 1.00 0.00 C ATOM 1379 CD1 PHE A 87 -3.478 -12.499 0.939 1.00 0.00 C ATOM 1380 CD2 PHE A 87 -4.652 -11.921 2.980 1.00 0.00 C ATOM 1381 CE1 PHE A 87 -4.234 -11.554 0.236 1.00 0.00 C ATOM 1382 CE2 PHE A 87 -5.407 -10.975 2.278 1.00 0.00 C ATOM 1383 CZ PHE A 87 -5.198 -10.791 0.906 1.00 0.00 C ATOM 0 H PHE A 87 -3.749 -14.575 0.896 1.00 0.00 H new ATOM 0 HA PHE A 87 -2.784 -15.827 3.293 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.794 -13.403 4.119 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -1.849 -13.719 2.677 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -2.733 -13.086 0.423 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.814 -12.063 4.038 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.074 -11.413 -0.823 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.151 -10.387 2.795 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.780 -10.060 0.364 1.00 0.00 H new ATOM 1393 N PHE A 88 -5.910 -14.927 3.256 1.00 0.00 N ATOM 1394 CA PHE A 88 -7.162 -14.991 4.062 1.00 0.00 C ATOM 1395 C PHE A 88 -7.187 -16.310 4.838 1.00 0.00 C ATOM 1396 O PHE A 88 -7.599 -16.365 5.980 1.00 0.00 O ATOM 1397 CB PHE A 88 -8.383 -14.923 3.138 1.00 0.00 C ATOM 1398 CG PHE A 88 -8.203 -13.811 2.128 1.00 0.00 C ATOM 1399 CD1 PHE A 88 -8.354 -12.474 2.522 1.00 0.00 C ATOM 1400 CD2 PHE A 88 -7.895 -14.116 0.796 1.00 0.00 C ATOM 1401 CE1 PHE A 88 -8.197 -11.445 1.583 1.00 0.00 C ATOM 1402 CE2 PHE A 88 -7.736 -13.088 -0.140 1.00 0.00 C ATOM 1403 CZ PHE A 88 -7.888 -11.753 0.253 1.00 0.00 C ATOM 0 H PHE A 88 -6.038 -14.705 2.269 1.00 0.00 H new ATOM 0 HA PHE A 88 -7.191 -14.149 4.754 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -8.514 -15.875 2.624 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -9.285 -14.750 3.725 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.591 -12.237 3.549 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.780 -15.146 0.491 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.314 -10.415 1.886 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.496 -13.325 -1.166 1.00 0.00 H new ATOM 0 HZ PHE A 88 -7.767 -10.960 -0.470 1.00 0.00 H new ATOM 1413 N GLU A 89 -6.745 -17.371 4.223 1.00 0.00 N ATOM 1414 CA GLU A 89 -6.735 -18.691 4.915 1.00 0.00 C ATOM 1415 C GLU A 89 -5.451 -18.825 5.736 1.00 0.00 C ATOM 1416 O GLU A 89 -4.654 -19.717 5.519 1.00 0.00 O ATOM 1417 CB GLU A 89 -6.791 -19.812 3.874 1.00 0.00 C ATOM 1418 CG GLU A 89 -8.165 -19.815 3.200 1.00 0.00 C ATOM 1419 CD GLU A 89 -8.315 -18.556 2.344 1.00 0.00 C ATOM 1420 OE1 GLU A 89 -7.308 -18.074 1.852 1.00 0.00 O ATOM 1421 OE2 GLU A 89 -9.435 -18.095 2.194 1.00 0.00 O ATOM 0 H GLU A 89 -6.389 -17.381 3.267 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.600 -18.762 5.575 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.009 -19.670 3.128 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.606 -20.775 4.350 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.276 -20.705 2.580 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.952 -19.851 3.954 1.00 0.00 H new ATOM 1428 N HIS A 90 -5.245 -17.950 6.683 1.00 0.00 N ATOM 1429 CA HIS A 90 -4.015 -18.034 7.519 1.00 0.00 C ATOM 1430 C HIS A 90 -4.116 -19.247 8.446 1.00 0.00 C ATOM 1431 O HIS A 90 -4.865 -19.247 9.402 1.00 0.00 O ATOM 1432 CB HIS A 90 -3.876 -16.763 8.359 1.00 0.00 C ATOM 1433 CG HIS A 90 -2.574 -16.800 9.111 1.00 0.00 C ATOM 1434 ND1 HIS A 90 -2.372 -17.635 10.199 1.00 0.00 N ATOM 1435 CD2 HIS A 90 -1.398 -16.112 8.944 1.00 0.00 C ATOM 1436 CE1 HIS A 90 -1.117 -17.431 10.640 1.00 0.00 C ATOM 1437 NE2 HIS A 90 -0.479 -16.512 9.910 1.00 0.00 N ATOM 0 H HIS A 90 -5.875 -17.182 6.913 1.00 0.00 H new ATOM 0 HA HIS A 90 -3.143 -18.137 6.873 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -3.912 -15.883 7.716 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -4.709 -16.682 9.057 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -3.051 -18.286 10.594 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -1.214 -15.372 8.179 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -0.679 -17.947 11.481 1.00 0.00 H new ATOM 1445 N GLU A 91 -3.369 -20.280 8.172 1.00 0.00 N ATOM 1446 CA GLU A 91 -3.427 -21.489 9.039 1.00 0.00 C ATOM 1447 C GLU A 91 -3.162 -21.086 10.492 1.00 0.00 C ATOM 1448 O GLU A 91 -2.591 -20.027 10.697 1.00 0.00 O ATOM 1449 CB GLU A 91 -2.365 -22.493 8.586 1.00 0.00 C ATOM 1450 CG GLU A 91 -0.972 -21.903 8.813 1.00 0.00 C ATOM 1451 CD GLU A 91 0.065 -22.739 8.060 1.00 0.00 C ATOM 1452 OE1 GLU A 91 0.324 -23.852 8.488 1.00 0.00 O ATOM 1453 OE2 GLU A 91 0.583 -22.251 7.069 1.00 0.00 O ATOM 1454 OXT GLU A 91 -3.535 -21.842 11.373 1.00 0.00 O ATOM 0 H GLU A 91 -2.722 -20.339 7.386 1.00 0.00 H new ATOM 0 HA GLU A 91 -4.414 -21.945 8.962 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.471 -23.425 9.141 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.502 -22.732 7.531 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.942 -20.870 8.467 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.740 -21.890 9.878 1.00 0.00 H new TER 1461 GLU A 91 ATOM 1462 N MET B 0 8.916 -8.628 15.957 1.00 0.00 N ATOM 1463 CA MET B 0 8.064 -7.913 14.965 1.00 0.00 C ATOM 1464 C MET B 0 8.166 -6.405 15.195 1.00 0.00 C ATOM 1465 O MET B 0 8.128 -5.935 16.315 1.00 0.00 O ATOM 1466 CB MET B 0 6.608 -8.355 15.130 1.00 0.00 C ATOM 1467 CG MET B 0 6.491 -9.850 14.827 1.00 0.00 C ATOM 1468 SD MET B 0 7.186 -10.800 16.202 1.00 0.00 S ATOM 1469 CE MET B 0 6.650 -12.435 15.642 1.00 0.00 C ATOM 0 H1 MET B 0 9.726 -9.062 15.470 1.00 0.00 H new ATOM 0 H2 MET B 0 9.261 -7.953 16.669 1.00 0.00 H new ATOM 0 H3 MET B 0 8.356 -9.369 16.425 1.00 0.00 H new ATOM 0 HA MET B 0 8.405 -8.151 13.957 1.00 0.00 H new ATOM 0 HB2 MET B 0 6.268 -8.151 16.145 1.00 0.00 H new ATOM 0 HB3 MET B 0 5.966 -7.786 14.458 1.00 0.00 H new ATOM 0 HG2 MET B 0 5.446 -10.121 14.675 1.00 0.00 H new ATOM 0 HG3 MET B 0 7.019 -10.087 13.903 1.00 0.00 H new ATOM 0 HE1 MET B 0 6.978 -13.190 16.356 1.00 0.00 H new ATOM 0 HE2 MET B 0 5.563 -12.455 15.566 1.00 0.00 H new ATOM 0 HE3 MET B 0 7.086 -12.646 14.665 1.00 0.00 H new ATOM 1481 N SER B 1 8.293 -5.639 14.144 1.00 0.00 N ATOM 1482 CA SER B 1 8.394 -4.159 14.304 1.00 0.00 C ATOM 1483 C SER B 1 6.986 -3.560 14.337 1.00 0.00 C ATOM 1484 O SER B 1 6.009 -4.233 14.071 1.00 0.00 O ATOM 1485 CB SER B 1 9.172 -3.571 13.127 1.00 0.00 C ATOM 1486 OG SER B 1 8.345 -3.576 11.969 1.00 0.00 O ATOM 0 H SER B 1 8.331 -5.974 13.181 1.00 0.00 H new ATOM 0 HA SER B 1 8.914 -3.925 15.233 1.00 0.00 H new ATOM 0 HB2 SER B 1 9.489 -2.554 13.357 1.00 0.00 H new ATOM 0 HB3 SER B 1 10.075 -4.153 12.946 1.00 0.00 H new ATOM 0 HG SER B 1 8.840 -3.198 11.212 1.00 0.00 H new ATOM 1492 N GLU B 2 6.871 -2.303 14.665 1.00 0.00 N ATOM 1493 CA GLU B 2 5.522 -1.675 14.716 1.00 0.00 C ATOM 1494 C GLU B 2 4.871 -1.757 13.334 1.00 0.00 C ATOM 1495 O GLU B 2 3.672 -1.899 13.209 1.00 0.00 O ATOM 1496 CB GLU B 2 5.655 -0.208 15.135 1.00 0.00 C ATOM 1497 CG GLU B 2 4.270 0.447 15.164 1.00 0.00 C ATOM 1498 CD GLU B 2 4.337 1.754 15.957 1.00 0.00 C ATOM 1499 OE1 GLU B 2 4.485 1.683 17.166 1.00 0.00 O ATOM 1500 OE2 GLU B 2 4.238 2.803 15.342 1.00 0.00 O ATOM 0 H GLU B 2 7.649 -1.686 14.899 1.00 0.00 H new ATOM 0 HA GLU B 2 4.902 -2.202 15.441 1.00 0.00 H new ATOM 0 HB2 GLU B 2 6.120 -0.141 16.118 1.00 0.00 H new ATOM 0 HB3 GLU B 2 6.304 0.322 14.438 1.00 0.00 H new ATOM 0 HG2 GLU B 2 3.928 0.644 14.148 1.00 0.00 H new ATOM 0 HG3 GLU B 2 3.546 -0.229 15.619 1.00 0.00 H new ATOM 1507 N LEU B 3 5.653 -1.663 12.295 1.00 0.00 N ATOM 1508 CA LEU B 3 5.080 -1.729 10.922 1.00 0.00 C ATOM 1509 C LEU B 3 4.362 -3.073 10.733 1.00 0.00 C ATOM 1510 O LEU B 3 3.241 -3.128 10.270 1.00 0.00 O ATOM 1511 CB LEU B 3 6.218 -1.576 9.891 1.00 0.00 C ATOM 1512 CG LEU B 3 5.703 -0.883 8.622 1.00 0.00 C ATOM 1513 CD1 LEU B 3 6.867 -0.661 7.653 1.00 0.00 C ATOM 1514 CD2 LEU B 3 4.639 -1.759 7.952 1.00 0.00 C ATOM 0 H LEU B 3 6.665 -1.543 12.337 1.00 0.00 H new ATOM 0 HA LEU B 3 4.360 -0.924 10.778 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.033 -0.996 10.324 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.623 -2.556 9.639 1.00 0.00 H new ATOM 0 HG LEU B 3 5.263 0.078 8.888 1.00 0.00 H new ATOM 0 HD11 LEU B 3 6.501 -0.169 6.752 1.00 0.00 H new ATOM 0 HD12 LEU B 3 7.621 -0.034 8.128 1.00 0.00 H new ATOM 0 HD13 LEU B 3 7.308 -1.622 7.388 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.275 -1.265 7.051 1.00 0.00 H new ATOM 0 HD22 LEU B 3 5.075 -2.722 7.686 1.00 0.00 H new ATOM 0 HD23 LEU B 3 3.809 -1.914 8.641 1.00 0.00 H new ATOM 1526 N GLU B 4 4.997 -4.157 11.092 1.00 0.00 N ATOM 1527 CA GLU B 4 4.343 -5.488 10.933 1.00 0.00 C ATOM 1528 C GLU B 4 2.941 -5.439 11.543 1.00 0.00 C ATOM 1529 O GLU B 4 1.981 -5.917 10.971 1.00 0.00 O ATOM 1530 CB GLU B 4 5.172 -6.556 11.651 1.00 0.00 C ATOM 1531 CG GLU B 4 6.555 -6.649 11.004 1.00 0.00 C ATOM 1532 CD GLU B 4 7.273 -7.899 11.516 1.00 0.00 C ATOM 1533 OE1 GLU B 4 6.594 -8.865 11.822 1.00 0.00 O ATOM 1534 OE2 GLU B 4 8.490 -7.868 11.595 1.00 0.00 O ATOM 0 H GLU B 4 5.937 -4.178 11.487 1.00 0.00 H new ATOM 0 HA GLU B 4 4.274 -5.735 9.874 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.269 -6.307 12.708 1.00 0.00 H new ATOM 0 HB3 GLU B 4 4.668 -7.521 11.596 1.00 0.00 H new ATOM 0 HG2 GLU B 4 6.459 -6.690 9.919 1.00 0.00 H new ATOM 0 HG3 GLU B 4 7.139 -5.759 11.239 1.00 0.00 H new ATOM 1541 N LYS B 5 2.823 -4.851 12.701 1.00 0.00 N ATOM 1542 CA LYS B 5 1.495 -4.746 13.367 1.00 0.00 C ATOM 1543 C LYS B 5 0.467 -4.179 12.385 1.00 0.00 C ATOM 1544 O LYS B 5 -0.663 -4.619 12.315 1.00 0.00 O ATOM 1545 CB LYS B 5 1.618 -3.786 14.553 1.00 0.00 C ATOM 1546 CG LYS B 5 0.360 -3.874 15.422 1.00 0.00 C ATOM 1547 CD LYS B 5 0.299 -2.664 16.357 1.00 0.00 C ATOM 1548 CE LYS B 5 -0.894 -2.805 17.303 1.00 0.00 C ATOM 1549 NZ LYS B 5 -0.913 -1.655 18.251 1.00 0.00 N ATOM 0 H LYS B 5 3.597 -4.435 13.219 1.00 0.00 H new ATOM 0 HA LYS B 5 1.175 -5.733 13.701 1.00 0.00 H new ATOM 0 HB2 LYS B 5 2.499 -4.035 15.145 1.00 0.00 H new ATOM 0 HB3 LYS B 5 1.753 -2.766 14.195 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -0.529 -3.905 14.792 1.00 0.00 H new ATOM 0 HG3 LYS B 5 0.371 -4.796 16.003 1.00 0.00 H new ATOM 0 HD2 LYS B 5 1.223 -2.588 16.930 1.00 0.00 H new ATOM 0 HD3 LYS B 5 0.208 -1.747 15.775 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -1.823 -2.836 16.733 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -0.827 -3.743 17.854 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -1.894 -1.447 18.525 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -0.360 -1.895 19.099 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -0.498 -0.820 17.792 1.00 0.00 H new ATOM 1563 N ALA B 6 0.865 -3.185 11.639 1.00 0.00 N ATOM 1564 CA ALA B 6 -0.053 -2.535 10.661 1.00 0.00 C ATOM 1565 C ALA B 6 -0.234 -3.403 9.408 1.00 0.00 C ATOM 1566 O ALA B 6 -1.273 -3.371 8.780 1.00 0.00 O ATOM 1567 CB ALA B 6 0.541 -1.175 10.267 1.00 0.00 C ATOM 0 H ALA B 6 1.805 -2.789 11.667 1.00 0.00 H new ATOM 0 HA ALA B 6 -1.032 -2.407 11.122 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -0.118 -0.684 9.551 1.00 0.00 H new ATOM 0 HB2 ALA B 6 0.641 -0.551 11.155 1.00 0.00 H new ATOM 0 HB3 ALA B 6 1.522 -1.323 9.815 1.00 0.00 H new ATOM 1573 N MET B 7 0.739 -4.185 9.037 1.00 0.00 N ATOM 1574 CA MET B 7 0.554 -5.039 7.830 1.00 0.00 C ATOM 1575 C MET B 7 -0.549 -6.066 8.135 1.00 0.00 C ATOM 1576 O MET B 7 -1.460 -6.274 7.352 1.00 0.00 O ATOM 1577 CB MET B 7 1.891 -5.746 7.484 1.00 0.00 C ATOM 1578 CG MET B 7 2.395 -5.300 6.102 1.00 0.00 C ATOM 1579 SD MET B 7 1.164 -5.728 4.843 1.00 0.00 S ATOM 1580 CE MET B 7 1.459 -4.327 3.733 1.00 0.00 C ATOM 0 H MET B 7 1.640 -4.271 9.507 1.00 0.00 H new ATOM 0 HA MET B 7 0.260 -4.437 6.970 1.00 0.00 H new ATOM 0 HB2 MET B 7 2.639 -5.514 8.242 1.00 0.00 H new ATOM 0 HB3 MET B 7 1.751 -6.827 7.495 1.00 0.00 H new ATOM 0 HG2 MET B 7 2.576 -4.225 6.099 1.00 0.00 H new ATOM 0 HG3 MET B 7 3.345 -5.784 5.876 1.00 0.00 H new ATOM 0 HE1 MET B 7 0.999 -4.527 2.765 1.00 0.00 H new ATOM 0 HE2 MET B 7 1.023 -3.425 4.162 1.00 0.00 H new ATOM 0 HE3 MET B 7 2.532 -4.185 3.603 1.00 0.00 H new ATOM 1590 N VAL B 8 -0.476 -6.702 9.273 1.00 0.00 N ATOM 1591 CA VAL B 8 -1.515 -7.707 9.632 1.00 0.00 C ATOM 1592 C VAL B 8 -2.847 -6.997 9.883 1.00 0.00 C ATOM 1593 O VAL B 8 -3.899 -7.493 9.532 1.00 0.00 O ATOM 1594 CB VAL B 8 -1.086 -8.458 10.893 1.00 0.00 C ATOM 1595 CG1 VAL B 8 -2.051 -9.616 11.154 1.00 0.00 C ATOM 1596 CG2 VAL B 8 0.329 -9.009 10.699 1.00 0.00 C ATOM 0 H VAL B 8 0.258 -6.569 9.969 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.633 -8.416 8.813 1.00 0.00 H new ATOM 0 HB VAL B 8 -1.100 -7.776 11.743 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -1.744 -10.150 12.053 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -3.059 -9.225 11.291 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.038 -10.299 10.304 1.00 0.00 H new ATOM 0 HG21 VAL B 8 0.637 -9.545 11.597 1.00 0.00 H new ATOM 0 HG22 VAL B 8 0.341 -9.690 9.848 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.018 -8.185 10.514 1.00 0.00 H new ATOM 1606 N ALA B 9 -2.814 -5.833 10.476 1.00 0.00 N ATOM 1607 CA ALA B 9 -4.083 -5.095 10.732 1.00 0.00 C ATOM 1608 C ALA B 9 -4.807 -4.882 9.403 1.00 0.00 C ATOM 1609 O ALA B 9 -5.989 -5.125 9.282 1.00 0.00 O ATOM 1610 CB ALA B 9 -3.764 -3.737 11.361 1.00 0.00 C ATOM 0 H ALA B 9 -1.966 -5.364 10.793 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.715 -5.668 11.411 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -4.692 -3.196 11.549 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -3.235 -3.887 12.302 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -3.138 -3.159 10.681 1.00 0.00 H new ATOM 1616 N LEU B 10 -4.109 -4.422 8.406 1.00 0.00 N ATOM 1617 CA LEU B 10 -4.766 -4.188 7.088 1.00 0.00 C ATOM 1618 C LEU B 10 -5.593 -5.417 6.719 1.00 0.00 C ATOM 1619 O LEU B 10 -6.749 -5.321 6.357 1.00 0.00 O ATOM 1620 CB LEU B 10 -3.686 -3.979 6.019 1.00 0.00 C ATOM 1621 CG LEU B 10 -3.060 -2.580 6.158 1.00 0.00 C ATOM 1622 CD1 LEU B 10 -1.852 -2.480 5.219 1.00 0.00 C ATOM 1623 CD2 LEU B 10 -4.089 -1.483 5.798 1.00 0.00 C ATOM 0 H LEU B 10 -3.115 -4.198 8.444 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.408 -3.309 7.146 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.914 -4.742 6.119 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -4.121 -4.093 5.026 1.00 0.00 H new ATOM 0 HG LEU B 10 -2.746 -2.431 7.191 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -1.401 -1.492 5.310 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -1.118 -3.240 5.488 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -2.177 -2.637 4.190 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.626 -0.502 5.903 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -4.421 -1.619 4.769 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -4.946 -1.554 6.468 1.00 0.00 H new ATOM 1635 N ILE B 11 -5.006 -6.578 6.829 1.00 0.00 N ATOM 1636 CA ILE B 11 -5.758 -7.821 6.506 1.00 0.00 C ATOM 1637 C ILE B 11 -6.964 -7.909 7.442 1.00 0.00 C ATOM 1638 O ILE B 11 -8.065 -8.228 7.037 1.00 0.00 O ATOM 1639 CB ILE B 11 -4.849 -9.035 6.727 1.00 0.00 C ATOM 1640 CG1 ILE B 11 -3.503 -8.814 6.022 1.00 0.00 C ATOM 1641 CG2 ILE B 11 -5.520 -10.290 6.166 1.00 0.00 C ATOM 1642 CD1 ILE B 11 -3.729 -8.406 4.562 1.00 0.00 C ATOM 0 H ILE B 11 -4.041 -6.718 7.128 1.00 0.00 H new ATOM 0 HA ILE B 11 -6.088 -7.806 5.467 1.00 0.00 H new ATOM 0 HB ILE B 11 -4.678 -9.162 7.796 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -2.936 -8.040 6.540 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.908 -9.727 6.064 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.871 -11.151 6.325 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -6.470 -10.453 6.675 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.697 -10.161 5.098 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -2.767 -8.252 4.074 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -4.277 -9.194 4.045 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -4.305 -7.481 4.528 1.00 0.00 H new ATOM 1654 N ASP B 12 -6.751 -7.620 8.697 1.00 0.00 N ATOM 1655 CA ASP B 12 -7.854 -7.668 9.694 1.00 0.00 C ATOM 1656 C ASP B 12 -9.063 -6.884 9.181 1.00 0.00 C ATOM 1657 O ASP B 12 -10.181 -7.359 9.195 1.00 0.00 O ATOM 1658 CB ASP B 12 -7.366 -7.018 11.000 1.00 0.00 C ATOM 1659 CG ASP B 12 -8.257 -7.463 12.165 1.00 0.00 C ATOM 1660 OD1 ASP B 12 -9.396 -7.030 12.212 1.00 0.00 O ATOM 1661 OD2 ASP B 12 -7.783 -8.230 12.987 1.00 0.00 O ATOM 0 H ASP B 12 -5.844 -7.349 9.078 1.00 0.00 H new ATOM 0 HA ASP B 12 -8.142 -8.706 9.862 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -6.331 -7.300 11.193 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -7.388 -5.932 10.907 1.00 0.00 H new ATOM 1666 N VAL B 13 -8.842 -5.666 8.756 1.00 0.00 N ATOM 1667 CA VAL B 13 -9.974 -4.824 8.275 1.00 0.00 C ATOM 1668 C VAL B 13 -10.435 -5.257 6.881 1.00 0.00 C ATOM 1669 O VAL B 13 -11.620 -5.378 6.639 1.00 0.00 O ATOM 1670 CB VAL B 13 -9.552 -3.353 8.254 1.00 0.00 C ATOM 1671 CG1 VAL B 13 -10.729 -2.490 7.794 1.00 0.00 C ATOM 1672 CG2 VAL B 13 -9.125 -2.922 9.660 1.00 0.00 C ATOM 0 H VAL B 13 -7.925 -5.220 8.722 1.00 0.00 H new ATOM 0 HA VAL B 13 -10.811 -4.953 8.961 1.00 0.00 H new ATOM 0 HB VAL B 13 -8.716 -3.227 7.565 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -10.428 -1.442 7.779 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -11.034 -2.794 6.793 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -11.565 -2.618 8.482 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -8.825 -1.874 9.644 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -9.960 -3.050 10.349 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -8.286 -3.535 9.989 1.00 0.00 H new ATOM 1682 N PHE B 14 -9.551 -5.478 5.952 1.00 0.00 N ATOM 1683 CA PHE B 14 -10.036 -5.879 4.600 1.00 0.00 C ATOM 1684 C PHE B 14 -10.932 -7.112 4.738 1.00 0.00 C ATOM 1685 O PHE B 14 -11.900 -7.279 4.021 1.00 0.00 O ATOM 1686 CB PHE B 14 -8.860 -6.203 3.680 1.00 0.00 C ATOM 1687 CG PHE B 14 -9.391 -6.548 2.307 1.00 0.00 C ATOM 1688 CD1 PHE B 14 -9.884 -7.834 2.047 1.00 0.00 C ATOM 1689 CD2 PHE B 14 -9.397 -5.580 1.295 1.00 0.00 C ATOM 1690 CE1 PHE B 14 -10.381 -8.150 0.776 1.00 0.00 C ATOM 1691 CE2 PHE B 14 -9.894 -5.897 0.025 1.00 0.00 C ATOM 1692 CZ PHE B 14 -10.387 -7.181 -0.234 1.00 0.00 C ATOM 0 H PHE B 14 -8.540 -5.402 6.061 1.00 0.00 H new ATOM 0 HA PHE B 14 -10.598 -5.053 4.165 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -8.184 -5.351 3.619 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -8.286 -7.037 4.082 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -9.881 -8.581 2.827 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -9.018 -4.588 1.494 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -10.760 -9.141 0.575 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -9.897 -5.150 -0.755 1.00 0.00 H new ATOM 0 HZ PHE B 14 -10.772 -7.424 -1.213 1.00 0.00 H new ATOM 1702 N HIS B 15 -10.606 -7.980 5.657 1.00 0.00 N ATOM 1703 CA HIS B 15 -11.419 -9.213 5.853 1.00 0.00 C ATOM 1704 C HIS B 15 -12.701 -8.879 6.622 1.00 0.00 C ATOM 1705 O HIS B 15 -13.727 -9.505 6.444 1.00 0.00 O ATOM 1706 CB HIS B 15 -10.602 -10.237 6.644 1.00 0.00 C ATOM 1707 CG HIS B 15 -11.432 -11.468 6.884 1.00 0.00 C ATOM 1708 ND1 HIS B 15 -12.527 -11.467 7.733 1.00 0.00 N ATOM 1709 CD2 HIS B 15 -11.338 -12.747 6.395 1.00 0.00 C ATOM 1710 CE1 HIS B 15 -13.044 -12.709 7.730 1.00 0.00 C ATOM 1711 NE2 HIS B 15 -12.357 -13.529 6.930 1.00 0.00 N ATOM 0 H HIS B 15 -9.807 -7.887 6.284 1.00 0.00 H new ATOM 0 HA HIS B 15 -11.685 -9.626 4.880 1.00 0.00 H new ATOM 0 HB2 HIS B 15 -9.697 -10.498 6.095 1.00 0.00 H new ATOM 0 HB3 HIS B 15 -10.286 -9.808 7.595 1.00 0.00 H new ATOM 0 HD2 HIS B 15 -10.587 -13.094 5.700 1.00 0.00 H new ATOM 0 HE1 HIS B 15 -13.909 -13.007 8.304 1.00 0.00 H new ATOM 0 HE2 HIS B 15 -12.540 -14.516 6.750 1.00 0.00 H new ATOM 1719 N GLN B 16 -12.640 -7.905 7.492 1.00 0.00 N ATOM 1720 CA GLN B 16 -13.843 -7.538 8.293 1.00 0.00 C ATOM 1721 C GLN B 16 -15.017 -7.237 7.362 1.00 0.00 C ATOM 1722 O GLN B 16 -16.128 -7.672 7.594 1.00 0.00 O ATOM 1723 CB GLN B 16 -13.534 -6.307 9.148 1.00 0.00 C ATOM 1724 CG GLN B 16 -14.767 -5.934 9.973 1.00 0.00 C ATOM 1725 CD GLN B 16 -14.400 -4.833 10.969 1.00 0.00 C ATOM 1726 OE1 GLN B 16 -13.299 -4.318 10.945 1.00 0.00 O ATOM 1727 NE2 GLN B 16 -15.281 -4.448 11.851 1.00 0.00 N ATOM 0 H GLN B 16 -11.807 -7.348 7.682 1.00 0.00 H new ATOM 0 HA GLN B 16 -14.109 -8.372 8.942 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.691 -6.512 9.808 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -13.244 -5.472 8.510 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -15.568 -5.593 9.316 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -15.141 -6.809 10.504 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -16.205 -4.880 11.871 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -15.046 -3.715 12.520 1.00 0.00 H new ATOM 1736 N TYR B 17 -14.791 -6.498 6.311 1.00 0.00 N ATOM 1737 CA TYR B 17 -15.906 -6.180 5.378 1.00 0.00 C ATOM 1738 C TYR B 17 -16.285 -7.443 4.602 1.00 0.00 C ATOM 1739 O TYR B 17 -17.447 -7.763 4.449 1.00 0.00 O ATOM 1740 CB TYR B 17 -15.460 -5.082 4.399 1.00 0.00 C ATOM 1741 CG TYR B 17 -15.576 -3.725 5.061 1.00 0.00 C ATOM 1742 CD1 TYR B 17 -14.719 -3.385 6.115 1.00 0.00 C ATOM 1743 CD2 TYR B 17 -16.541 -2.808 4.622 1.00 0.00 C ATOM 1744 CE1 TYR B 17 -14.827 -2.131 6.730 1.00 0.00 C ATOM 1745 CE2 TYR B 17 -16.648 -1.554 5.236 1.00 0.00 C ATOM 1746 CZ TYR B 17 -15.791 -1.216 6.290 1.00 0.00 C ATOM 1747 OH TYR B 17 -15.897 0.019 6.897 1.00 0.00 O ATOM 0 H TYR B 17 -13.885 -6.102 6.059 1.00 0.00 H new ATOM 0 HA TYR B 17 -16.769 -5.826 5.942 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -14.431 -5.257 4.086 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -16.076 -5.112 3.500 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -13.974 -4.090 6.454 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -17.203 -3.069 3.809 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -14.167 -1.870 7.544 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -17.391 -0.848 4.897 1.00 0.00 H new ATOM 0 HH TYR B 17 -16.615 0.532 6.471 1.00 0.00 H new ATOM 1757 N SER B 18 -15.310 -8.161 4.106 1.00 0.00 N ATOM 1758 CA SER B 18 -15.605 -9.404 3.330 1.00 0.00 C ATOM 1759 C SER B 18 -15.415 -10.639 4.218 1.00 0.00 C ATOM 1760 O SER B 18 -14.611 -11.499 3.921 1.00 0.00 O ATOM 1761 CB SER B 18 -14.648 -9.491 2.141 1.00 0.00 C ATOM 1762 OG SER B 18 -14.689 -8.270 1.415 1.00 0.00 O ATOM 0 H SER B 18 -14.319 -7.940 4.205 1.00 0.00 H new ATOM 0 HA SER B 18 -16.637 -9.370 2.981 1.00 0.00 H new ATOM 0 HB2 SER B 18 -13.634 -9.686 2.489 1.00 0.00 H new ATOM 0 HB3 SER B 18 -14.928 -10.322 1.494 1.00 0.00 H new ATOM 0 HG SER B 18 -14.075 -8.322 0.653 1.00 0.00 H new ATOM 1768 N GLY B 19 -16.167 -10.749 5.292 1.00 0.00 N ATOM 1769 CA GLY B 19 -16.059 -11.947 6.192 1.00 0.00 C ATOM 1770 C GLY B 19 -17.419 -12.648 6.206 1.00 0.00 C ATOM 1771 O GLY B 19 -17.542 -13.785 6.617 1.00 0.00 O ATOM 0 H GLY B 19 -16.855 -10.056 5.585 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -15.284 -12.625 5.834 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -15.776 -11.643 7.200 1.00 0.00 H new ATOM 1775 N ARG B 20 -18.432 -11.985 5.722 1.00 0.00 N ATOM 1776 CA ARG B 20 -19.785 -12.606 5.657 1.00 0.00 C ATOM 1777 C ARG B 20 -19.734 -13.808 4.715 1.00 0.00 C ATOM 1778 O ARG B 20 -20.429 -14.781 4.931 1.00 0.00 O ATOM 1779 CB ARG B 20 -20.811 -11.588 5.143 1.00 0.00 C ATOM 1780 CG ARG B 20 -20.613 -10.241 5.846 1.00 0.00 C ATOM 1781 CD ARG B 20 -20.869 -10.396 7.347 1.00 0.00 C ATOM 1782 NE ARG B 20 -22.182 -11.069 7.559 1.00 0.00 N ATOM 1783 CZ ARG B 20 -23.291 -10.400 7.395 1.00 0.00 C ATOM 1784 NH1 ARG B 20 -23.734 -10.157 6.192 1.00 0.00 N ATOM 1785 NH2 ARG B 20 -23.955 -9.973 8.433 1.00 0.00 N ATOM 0 H ARG B 20 -18.380 -11.031 5.365 1.00 0.00 H new ATOM 0 HA ARG B 20 -20.084 -12.929 6.654 1.00 0.00 H new ATOM 0 HB2 ARG B 20 -20.704 -11.464 4.065 1.00 0.00 H new ATOM 0 HB3 ARG B 20 -21.821 -11.956 5.322 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -19.599 -9.878 5.676 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -21.292 -9.499 5.427 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -20.071 -10.980 7.805 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -20.867 -9.419 7.830 1.00 0.00 H new ATOM 0 HE ARG B 20 -22.214 -12.051 7.832 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -23.214 -10.490 5.380 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -24.600 -9.634 6.063 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -23.608 -10.162 9.373 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -24.821 -9.450 8.304 1.00 0.00 H new ATOM 1799 N GLU B 21 -18.907 -13.790 3.698 1.00 0.00 N ATOM 1800 CA GLU B 21 -18.829 -14.986 2.796 1.00 0.00 C ATOM 1801 C GLU B 21 -17.390 -15.174 2.309 1.00 0.00 C ATOM 1802 O GLU B 21 -16.872 -16.273 2.306 1.00 0.00 O ATOM 1803 CB GLU B 21 -19.761 -14.792 1.588 1.00 0.00 C ATOM 1804 CG GLU B 21 -21.207 -15.123 1.975 1.00 0.00 C ATOM 1805 CD GLU B 21 -21.339 -16.625 2.237 1.00 0.00 C ATOM 1806 OE1 GLU B 21 -20.758 -17.391 1.486 1.00 0.00 O ATOM 1807 OE2 GLU B 21 -22.019 -16.983 3.185 1.00 0.00 O ATOM 0 H GLU B 21 -18.291 -13.014 3.454 1.00 0.00 H new ATOM 0 HA GLU B 21 -19.141 -15.871 3.351 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -19.698 -13.763 1.233 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -19.441 -15.433 0.766 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -21.493 -14.562 2.865 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -21.885 -14.822 1.177 1.00 0.00 H new ATOM 1814 N GLY B 22 -16.736 -14.122 1.896 1.00 0.00 N ATOM 1815 CA GLY B 22 -15.331 -14.263 1.411 1.00 0.00 C ATOM 1816 C GLY B 22 -15.241 -15.444 0.442 1.00 0.00 C ATOM 1817 O GLY B 22 -14.167 -15.920 0.132 1.00 0.00 O ATOM 0 H GLY B 22 -17.111 -13.174 1.873 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -15.013 -13.346 0.914 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -14.658 -14.419 2.254 1.00 0.00 H new ATOM 1821 N ASP B 23 -16.359 -15.923 -0.038 1.00 0.00 N ATOM 1822 CA ASP B 23 -16.328 -17.074 -0.988 1.00 0.00 C ATOM 1823 C ASP B 23 -15.280 -16.789 -2.066 1.00 0.00 C ATOM 1824 O ASP B 23 -14.299 -17.494 -2.193 1.00 0.00 O ATOM 1825 CB ASP B 23 -17.704 -17.238 -1.637 1.00 0.00 C ATOM 1826 CG ASP B 23 -17.738 -18.534 -2.448 1.00 0.00 C ATOM 1827 OD1 ASP B 23 -17.073 -18.589 -3.470 1.00 0.00 O ATOM 1828 OD2 ASP B 23 -18.430 -19.450 -2.034 1.00 0.00 O ATOM 0 H ASP B 23 -17.289 -15.568 0.186 1.00 0.00 H new ATOM 0 HA ASP B 23 -16.074 -17.991 -0.457 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -18.479 -17.256 -0.871 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -17.916 -16.387 -2.284 1.00 0.00 H new ATOM 1833 N LYS B 24 -15.464 -15.741 -2.821 1.00 0.00 N ATOM 1834 CA LYS B 24 -14.460 -15.386 -3.864 1.00 0.00 C ATOM 1835 C LYS B 24 -13.420 -14.456 -3.232 1.00 0.00 C ATOM 1836 O LYS B 24 -13.528 -14.076 -2.083 1.00 0.00 O ATOM 1837 CB LYS B 24 -15.156 -14.667 -5.023 1.00 0.00 C ATOM 1838 CG LYS B 24 -16.441 -15.410 -5.395 1.00 0.00 C ATOM 1839 CD LYS B 24 -17.116 -14.701 -6.571 1.00 0.00 C ATOM 1840 CE LYS B 24 -18.333 -15.508 -7.026 1.00 0.00 C ATOM 1841 NZ LYS B 24 -19.387 -15.453 -5.974 1.00 0.00 N ATOM 0 H LYS B 24 -16.267 -15.115 -2.761 1.00 0.00 H new ATOM 0 HA LYS B 24 -13.978 -16.286 -4.246 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -15.387 -13.640 -4.740 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -14.491 -14.618 -5.885 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -16.213 -16.442 -5.661 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -17.116 -15.442 -4.540 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -17.422 -13.697 -6.276 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -16.411 -14.590 -7.395 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -18.719 -15.107 -7.963 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -18.047 -16.543 -7.215 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -20.284 -15.807 -6.363 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -19.103 -16.044 -5.167 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -19.510 -14.470 -5.657 1.00 0.00 H new ATOM 1855 N HIS B 25 -12.427 -14.066 -3.992 1.00 0.00 N ATOM 1856 CA HIS B 25 -11.375 -13.132 -3.479 1.00 0.00 C ATOM 1857 C HIS B 25 -11.319 -11.933 -4.428 1.00 0.00 C ATOM 1858 O HIS B 25 -10.261 -11.501 -4.843 1.00 0.00 O ATOM 1859 CB HIS B 25 -10.020 -13.851 -3.459 1.00 0.00 C ATOM 1860 CG HIS B 25 -9.567 -14.132 -4.867 1.00 0.00 C ATOM 1861 ND1 HIS B 25 -10.249 -15.000 -5.705 1.00 0.00 N ATOM 1862 CD2 HIS B 25 -8.502 -13.665 -5.598 1.00 0.00 C ATOM 1863 CE1 HIS B 25 -9.595 -15.028 -6.880 1.00 0.00 C ATOM 1864 NE2 HIS B 25 -8.522 -14.232 -6.869 1.00 0.00 N ATOM 0 H HIS B 25 -12.298 -14.359 -4.960 1.00 0.00 H new ATOM 0 HA HIS B 25 -11.607 -12.803 -2.466 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -9.280 -13.237 -2.946 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -10.102 -14.784 -2.901 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -7.762 -12.964 -5.241 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.900 -15.622 -7.729 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -7.860 -14.074 -7.629 1.00 0.00 H new ATOM 1872 N LYS B 26 -12.465 -11.400 -4.772 1.00 0.00 N ATOM 1873 CA LYS B 26 -12.528 -10.231 -5.694 1.00 0.00 C ATOM 1874 C LYS B 26 -13.418 -9.143 -5.085 1.00 0.00 C ATOM 1875 O LYS B 26 -14.361 -9.433 -4.376 1.00 0.00 O ATOM 1876 CB LYS B 26 -13.118 -10.693 -7.027 1.00 0.00 C ATOM 1877 CG LYS B 26 -14.454 -11.407 -6.790 1.00 0.00 C ATOM 1878 CD LYS B 26 -15.172 -11.621 -8.129 1.00 0.00 C ATOM 1879 CE LYS B 26 -14.348 -12.545 -9.034 1.00 0.00 C ATOM 1880 NZ LYS B 26 -13.828 -13.696 -8.243 1.00 0.00 N ATOM 0 H LYS B 26 -13.372 -11.733 -4.446 1.00 0.00 H new ATOM 0 HA LYS B 26 -11.529 -9.824 -5.850 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -13.266 -9.837 -7.685 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -12.421 -11.364 -7.529 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -14.283 -12.366 -6.301 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -15.080 -10.816 -6.122 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -16.157 -12.054 -7.956 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -15.328 -10.662 -8.623 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -14.964 -12.907 -9.857 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -13.519 -11.992 -9.476 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -13.417 -14.402 -8.887 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -13.097 -13.362 -7.584 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -14.607 -14.128 -7.706 1.00 0.00 H new ATOM 1894 N LEU B 27 -13.130 -7.895 -5.360 1.00 0.00 N ATOM 1895 CA LEU B 27 -13.957 -6.773 -4.808 1.00 0.00 C ATOM 1896 C LEU B 27 -14.446 -5.920 -5.979 1.00 0.00 C ATOM 1897 O LEU B 27 -13.727 -5.702 -6.933 1.00 0.00 O ATOM 1898 CB LEU B 27 -13.090 -5.927 -3.866 1.00 0.00 C ATOM 1899 CG LEU B 27 -13.968 -5.004 -3.000 1.00 0.00 C ATOM 1900 CD1 LEU B 27 -14.859 -5.833 -2.049 1.00 0.00 C ATOM 1901 CD2 LEU B 27 -13.060 -4.079 -2.174 1.00 0.00 C ATOM 0 H LEU B 27 -12.350 -7.601 -5.949 1.00 0.00 H new ATOM 0 HA LEU B 27 -14.810 -7.159 -4.251 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -12.497 -6.580 -3.225 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -12.389 -5.329 -4.448 1.00 0.00 H new ATOM 0 HG LEU B 27 -14.612 -4.415 -3.652 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -15.471 -5.162 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -15.506 -6.487 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -14.230 -6.436 -1.394 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -13.674 -3.422 -1.558 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -12.415 -4.680 -1.533 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -12.446 -3.478 -2.845 1.00 0.00 H new ATOM 1913 N LYS B 28 -15.668 -5.446 -5.932 1.00 0.00 N ATOM 1914 CA LYS B 28 -16.196 -4.620 -7.064 1.00 0.00 C ATOM 1915 C LYS B 28 -15.989 -3.131 -6.768 1.00 0.00 C ATOM 1916 O LYS B 28 -15.977 -2.709 -5.630 1.00 0.00 O ATOM 1917 CB LYS B 28 -17.685 -4.915 -7.259 1.00 0.00 C ATOM 1918 CG LYS B 28 -17.846 -6.311 -7.866 1.00 0.00 C ATOM 1919 CD LYS B 28 -19.328 -6.694 -7.902 1.00 0.00 C ATOM 1920 CE LYS B 28 -19.468 -8.174 -8.270 1.00 0.00 C ATOM 1921 NZ LYS B 28 -19.137 -9.015 -7.085 1.00 0.00 N ATOM 0 H LYS B 28 -16.320 -5.594 -5.162 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.657 -4.873 -7.977 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -18.207 -4.858 -6.304 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -18.134 -4.167 -7.913 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -17.432 -6.329 -8.874 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -17.287 -7.039 -7.279 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -19.786 -6.505 -6.931 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -19.856 -6.077 -8.629 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -20.484 -8.382 -8.604 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -18.804 -8.418 -9.099 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -19.454 -9.991 -7.252 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -18.109 -9.007 -6.930 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -19.617 -8.634 -6.244 1.00 0.00 H new ATOM 1935 N LYS B 29 -15.826 -2.336 -7.790 1.00 0.00 N ATOM 1936 CA LYS B 29 -15.616 -0.872 -7.591 1.00 0.00 C ATOM 1937 C LYS B 29 -16.796 -0.258 -6.832 1.00 0.00 C ATOM 1938 O LYS B 29 -16.623 0.597 -5.986 1.00 0.00 O ATOM 1939 CB LYS B 29 -15.495 -0.195 -8.964 1.00 0.00 C ATOM 1940 CG LYS B 29 -16.739 -0.504 -9.843 1.00 0.00 C ATOM 1941 CD LYS B 29 -17.678 0.710 -9.891 1.00 0.00 C ATOM 1942 CE LYS B 29 -18.888 0.384 -10.768 1.00 0.00 C ATOM 1943 NZ LYS B 29 -19.763 1.585 -10.872 1.00 0.00 N ATOM 0 H LYS B 29 -15.829 -2.640 -8.764 1.00 0.00 H new ATOM 0 HA LYS B 29 -14.706 -0.720 -7.010 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -15.393 0.883 -8.835 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -14.593 -0.542 -9.468 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -16.422 -0.766 -10.852 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -17.270 -1.367 -9.441 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -18.005 0.971 -8.884 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.150 1.576 -10.289 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -18.559 0.074 -11.760 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -19.446 -0.450 -10.342 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -20.586 1.364 -11.468 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -20.087 1.862 -9.923 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -19.228 2.369 -11.297 1.00 0.00 H new ATOM 1957 N SER B 30 -17.994 -0.670 -7.138 1.00 0.00 N ATOM 1958 CA SER B 30 -19.180 -0.091 -6.444 1.00 0.00 C ATOM 1959 C SER B 30 -19.066 -0.310 -4.933 1.00 0.00 C ATOM 1960 O SER B 30 -19.341 0.577 -4.141 1.00 0.00 O ATOM 1961 CB SER B 30 -20.451 -0.766 -6.960 1.00 0.00 C ATOM 1962 OG SER B 30 -21.587 -0.102 -6.421 1.00 0.00 O ATOM 0 H SER B 30 -18.204 -1.382 -7.838 1.00 0.00 H new ATOM 0 HA SER B 30 -19.222 0.979 -6.646 1.00 0.00 H new ATOM 0 HB2 SER B 30 -20.478 -0.732 -8.049 1.00 0.00 H new ATOM 0 HB3 SER B 30 -20.460 -1.818 -6.674 1.00 0.00 H new ATOM 0 HG SER B 30 -22.404 -0.531 -6.751 1.00 0.00 H new ATOM 1968 N GLU B 31 -18.645 -1.476 -4.520 1.00 0.00 N ATOM 1969 CA GLU B 31 -18.511 -1.726 -3.055 1.00 0.00 C ATOM 1970 C GLU B 31 -17.188 -1.127 -2.581 1.00 0.00 C ATOM 1971 O GLU B 31 -17.076 -0.629 -1.478 1.00 0.00 O ATOM 1972 CB GLU B 31 -18.551 -3.230 -2.763 1.00 0.00 C ATOM 1973 CG GLU B 31 -19.999 -3.727 -2.807 1.00 0.00 C ATOM 1974 CD GLU B 31 -20.558 -3.553 -4.220 1.00 0.00 C ATOM 1975 OE1 GLU B 31 -20.181 -4.327 -5.084 1.00 0.00 O ATOM 1976 OE2 GLU B 31 -21.353 -2.649 -4.414 1.00 0.00 O ATOM 0 H GLU B 31 -18.391 -2.257 -5.125 1.00 0.00 H new ATOM 0 HA GLU B 31 -19.340 -1.260 -2.523 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -17.949 -3.768 -3.495 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -18.117 -3.432 -1.784 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -20.043 -4.776 -2.514 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -20.607 -3.171 -2.093 1.00 0.00 H new ATOM 1983 N LEU B 32 -16.189 -1.154 -3.423 1.00 0.00 N ATOM 1984 CA LEU B 32 -14.876 -0.568 -3.041 1.00 0.00 C ATOM 1985 C LEU B 32 -15.079 0.929 -2.785 1.00 0.00 C ATOM 1986 O LEU B 32 -14.604 1.465 -1.807 1.00 0.00 O ATOM 1987 CB LEU B 32 -13.861 -0.800 -4.179 1.00 0.00 C ATOM 1988 CG LEU B 32 -12.415 -0.811 -3.643 1.00 0.00 C ATOM 1989 CD1 LEU B 32 -11.491 -1.453 -4.683 1.00 0.00 C ATOM 1990 CD2 LEU B 32 -11.940 0.621 -3.373 1.00 0.00 C ATOM 0 H LEU B 32 -16.228 -1.557 -4.359 1.00 0.00 H new ATOM 0 HA LEU B 32 -14.487 -1.040 -2.139 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -14.075 -1.747 -4.674 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -13.967 -0.017 -4.930 1.00 0.00 H new ATOM 0 HG LEU B 32 -12.388 -1.381 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -10.469 -1.461 -4.305 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -11.815 -2.476 -4.876 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -11.531 -0.879 -5.609 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -10.918 0.600 -2.995 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -11.973 1.196 -4.299 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -12.591 1.087 -2.633 1.00 0.00 H new ATOM 2002 N LYS B 33 -15.775 1.621 -3.648 1.00 0.00 N ATOM 2003 CA LYS B 33 -15.971 3.078 -3.415 1.00 0.00 C ATOM 2004 C LYS B 33 -16.513 3.283 -2.003 1.00 0.00 C ATOM 2005 O LYS B 33 -15.943 4.002 -1.207 1.00 0.00 O ATOM 2006 CB LYS B 33 -16.965 3.641 -4.435 1.00 0.00 C ATOM 2007 CG LYS B 33 -16.969 5.170 -4.352 1.00 0.00 C ATOM 2008 CD LYS B 33 -18.047 5.732 -5.283 1.00 0.00 C ATOM 2009 CE LYS B 33 -18.202 7.235 -5.040 1.00 0.00 C ATOM 2010 NZ LYS B 33 -16.995 7.949 -5.546 1.00 0.00 N ATOM 0 H LYS B 33 -16.210 1.246 -4.491 1.00 0.00 H new ATOM 0 HA LYS B 33 -15.020 3.598 -3.527 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -16.691 3.321 -5.440 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -17.964 3.253 -4.238 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -17.158 5.488 -3.327 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -15.991 5.562 -4.633 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -17.776 5.547 -6.323 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -18.995 5.225 -5.106 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -19.094 7.605 -5.544 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -18.333 7.430 -3.976 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -17.150 8.976 -5.490 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -16.171 7.691 -4.967 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -16.821 7.679 -6.535 1.00 0.00 H new ATOM 2024 N GLU B 34 -17.617 2.661 -1.689 1.00 0.00 N ATOM 2025 CA GLU B 34 -18.197 2.834 -0.322 1.00 0.00 C ATOM 2026 C GLU B 34 -17.092 2.657 0.728 1.00 0.00 C ATOM 2027 O GLU B 34 -17.090 3.316 1.749 1.00 0.00 O ATOM 2028 CB GLU B 34 -19.295 1.794 -0.091 1.00 0.00 C ATOM 2029 CG GLU B 34 -20.019 2.099 1.223 1.00 0.00 C ATOM 2030 CD GLU B 34 -21.128 1.069 1.447 1.00 0.00 C ATOM 2031 OE1 GLU B 34 -20.823 -0.003 1.943 1.00 0.00 O ATOM 2032 OE2 GLU B 34 -22.264 1.371 1.119 1.00 0.00 O ATOM 0 H GLU B 34 -18.140 2.045 -2.312 1.00 0.00 H new ATOM 0 HA GLU B 34 -18.625 3.833 -0.235 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -20.003 1.807 -0.920 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -18.862 0.794 -0.057 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -19.313 2.075 2.053 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -20.442 3.103 1.193 1.00 0.00 H new ATOM 2039 N LEU B 35 -16.149 1.786 0.490 1.00 0.00 N ATOM 2040 CA LEU B 35 -15.052 1.594 1.484 1.00 0.00 C ATOM 2041 C LEU B 35 -14.176 2.852 1.521 1.00 0.00 C ATOM 2042 O LEU B 35 -13.784 3.304 2.576 1.00 0.00 O ATOM 2043 CB LEU B 35 -14.208 0.369 1.104 1.00 0.00 C ATOM 2044 CG LEU B 35 -13.105 0.131 2.147 1.00 0.00 C ATOM 2045 CD1 LEU B 35 -13.722 -0.157 3.527 1.00 0.00 C ATOM 2046 CD2 LEU B 35 -12.253 -1.064 1.701 1.00 0.00 C ATOM 0 H LEU B 35 -16.090 1.202 -0.344 1.00 0.00 H new ATOM 0 HA LEU B 35 -15.481 1.426 2.472 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -14.846 -0.512 1.033 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -13.761 0.519 0.121 1.00 0.00 H new ATOM 0 HG LEU B 35 -12.485 1.024 2.227 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -12.927 -0.323 4.254 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -14.327 0.694 3.840 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -14.350 -1.046 3.467 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -11.466 -1.243 2.433 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -12.883 -1.950 1.621 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -11.804 -0.849 0.731 1.00 0.00 H new ATOM 2058 N ILE B 36 -13.882 3.439 0.391 1.00 0.00 N ATOM 2059 CA ILE B 36 -13.051 4.680 0.384 1.00 0.00 C ATOM 2060 C ILE B 36 -13.709 5.748 1.261 1.00 0.00 C ATOM 2061 O ILE B 36 -13.052 6.439 2.013 1.00 0.00 O ATOM 2062 CB ILE B 36 -12.953 5.202 -1.055 1.00 0.00 C ATOM 2063 CG1 ILE B 36 -12.159 4.193 -1.892 1.00 0.00 C ATOM 2064 CG2 ILE B 36 -12.236 6.559 -1.061 1.00 0.00 C ATOM 2065 CD1 ILE B 36 -12.159 4.611 -3.365 1.00 0.00 C ATOM 0 H ILE B 36 -14.181 3.113 -0.528 1.00 0.00 H new ATOM 0 HA ILE B 36 -12.057 4.457 0.772 1.00 0.00 H new ATOM 0 HB ILE B 36 -13.951 5.326 -1.475 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -11.135 4.131 -1.524 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -12.596 3.200 -1.788 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -12.167 6.929 -2.084 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -12.798 7.270 -0.455 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -11.234 6.443 -0.649 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -11.592 3.886 -3.949 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -13.185 4.650 -3.732 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -11.701 5.595 -3.464 1.00 0.00 H new ATOM 2077 N ASN B 37 -14.997 5.912 1.140 1.00 0.00 N ATOM 2078 CA ASN B 37 -15.699 6.963 1.931 1.00 0.00 C ATOM 2079 C ASN B 37 -15.500 6.744 3.435 1.00 0.00 C ATOM 2080 O ASN B 37 -15.123 7.645 4.158 1.00 0.00 O ATOM 2081 CB ASN B 37 -17.194 6.911 1.612 1.00 0.00 C ATOM 2082 CG ASN B 37 -17.391 6.900 0.096 1.00 0.00 C ATOM 2083 OD1 ASN B 37 -16.461 6.658 -0.648 1.00 0.00 O ATOM 2084 ND2 ASN B 37 -18.572 7.155 -0.397 1.00 0.00 N ATOM 0 H ASN B 37 -15.596 5.362 0.525 1.00 0.00 H new ATOM 0 HA ASN B 37 -15.284 7.935 1.664 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -17.640 6.020 2.054 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -17.700 7.772 2.049 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -18.715 7.151 -1.407 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -19.352 7.358 0.228 1.00 0.00 H new ATOM 2091 N ASN B 38 -15.781 5.564 3.915 1.00 0.00 N ATOM 2092 CA ASN B 38 -15.645 5.289 5.378 1.00 0.00 C ATOM 2093 C ASN B 38 -14.226 4.831 5.728 1.00 0.00 C ATOM 2094 O ASN B 38 -13.947 4.515 6.868 1.00 0.00 O ATOM 2095 CB ASN B 38 -16.630 4.186 5.768 1.00 0.00 C ATOM 2096 CG ASN B 38 -18.060 4.717 5.661 1.00 0.00 C ATOM 2097 OD1 ASN B 38 -18.601 5.232 6.618 1.00 0.00 O ATOM 2098 ND2 ASN B 38 -18.698 4.615 4.527 1.00 0.00 N ATOM 0 H ASN B 38 -16.101 4.773 3.356 1.00 0.00 H new ATOM 0 HA ASN B 38 -15.856 6.209 5.923 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -16.502 3.322 5.116 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -16.431 3.849 6.785 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -19.651 4.968 4.445 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -18.243 4.182 3.723 1.00 0.00 H new ATOM 2105 N GLU B 39 -13.329 4.773 4.773 1.00 0.00 N ATOM 2106 CA GLU B 39 -11.933 4.310 5.080 1.00 0.00 C ATOM 2107 C GLU B 39 -10.958 5.489 5.088 1.00 0.00 C ATOM 2108 O GLU B 39 -9.974 5.475 5.800 1.00 0.00 O ATOM 2109 CB GLU B 39 -11.490 3.307 4.013 1.00 0.00 C ATOM 2110 CG GLU B 39 -10.053 2.861 4.297 1.00 0.00 C ATOM 2111 CD GLU B 39 -9.742 1.595 3.496 1.00 0.00 C ATOM 2112 OE1 GLU B 39 -9.505 1.715 2.305 1.00 0.00 O ATOM 2113 OE2 GLU B 39 -9.748 0.527 4.086 1.00 0.00 O ATOM 0 H GLU B 39 -13.499 5.024 3.799 1.00 0.00 H new ATOM 0 HA GLU B 39 -11.930 3.845 6.066 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -12.156 2.444 4.011 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -11.553 3.761 3.024 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -9.355 3.654 4.028 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -9.924 2.670 5.362 1.00 0.00 H new ATOM 2120 N LEU B 40 -11.221 6.510 4.307 1.00 0.00 N ATOM 2121 CA LEU B 40 -10.306 7.701 4.267 1.00 0.00 C ATOM 2122 C LEU B 40 -11.089 8.969 4.610 1.00 0.00 C ATOM 2123 O LEU B 40 -10.727 10.061 4.220 1.00 0.00 O ATOM 2124 CB LEU B 40 -9.712 7.840 2.863 1.00 0.00 C ATOM 2125 CG LEU B 40 -9.026 6.531 2.452 1.00 0.00 C ATOM 2126 CD1 LEU B 40 -8.524 6.649 1.008 1.00 0.00 C ATOM 2127 CD2 LEU B 40 -7.837 6.246 3.386 1.00 0.00 C ATOM 0 H LEU B 40 -12.033 6.572 3.692 1.00 0.00 H new ATOM 0 HA LEU B 40 -9.506 7.562 4.994 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -10.498 8.088 2.150 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -8.993 8.659 2.843 1.00 0.00 H new ATOM 0 HG LEU B 40 -9.743 5.713 2.525 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -8.036 5.719 0.715 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -9.367 6.841 0.344 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -7.811 7.471 0.937 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -7.355 5.315 3.088 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -7.119 7.063 3.321 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -8.194 6.157 4.412 1.00 0.00 H new ATOM 2139 N SER B 41 -12.161 8.830 5.341 1.00 0.00 N ATOM 2140 CA SER B 41 -12.973 10.022 5.718 1.00 0.00 C ATOM 2141 C SER B 41 -12.084 11.048 6.424 1.00 0.00 C ATOM 2142 O SER B 41 -11.956 12.174 5.985 1.00 0.00 O ATOM 2143 CB SER B 41 -14.098 9.591 6.660 1.00 0.00 C ATOM 2144 OG SER B 41 -14.960 10.696 6.898 1.00 0.00 O ATOM 0 H SER B 41 -12.511 7.939 5.695 1.00 0.00 H new ATOM 0 HA SER B 41 -13.398 10.470 4.820 1.00 0.00 H new ATOM 0 HB2 SER B 41 -14.659 8.765 6.222 1.00 0.00 H new ATOM 0 HB3 SER B 41 -13.682 9.230 7.601 1.00 0.00 H new ATOM 0 HG SER B 41 -15.683 10.423 7.500 1.00 0.00 H new ATOM 2150 N HIS B 42 -11.473 10.677 7.515 1.00 0.00 N ATOM 2151 CA HIS B 42 -10.600 11.642 8.242 1.00 0.00 C ATOM 2152 C HIS B 42 -9.431 12.058 7.346 1.00 0.00 C ATOM 2153 O HIS B 42 -9.075 13.217 7.274 1.00 0.00 O ATOM 2154 CB HIS B 42 -10.055 10.980 9.509 1.00 0.00 C ATOM 2155 CG HIS B 42 -11.181 10.327 10.261 1.00 0.00 C ATOM 2156 ND1 HIS B 42 -11.957 9.322 9.705 1.00 0.00 N ATOM 2157 CD2 HIS B 42 -11.674 10.524 11.528 1.00 0.00 C ATOM 2158 CE1 HIS B 42 -12.866 8.955 10.627 1.00 0.00 C ATOM 2159 NE2 HIS B 42 -12.738 9.656 11.756 1.00 0.00 N ATOM 0 H HIS B 42 -11.540 9.750 7.934 1.00 0.00 H new ATOM 0 HA HIS B 42 -11.183 12.524 8.509 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -9.300 10.238 9.248 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -9.567 11.724 10.139 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -11.294 11.243 12.239 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -13.609 8.187 10.472 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -13.299 9.573 12.604 1.00 0.00 H new ATOM 2167 N PHE B 43 -8.829 11.121 6.667 1.00 0.00 N ATOM 2168 CA PHE B 43 -7.679 11.463 5.782 1.00 0.00 C ATOM 2169 C PHE B 43 -8.143 12.476 4.724 1.00 0.00 C ATOM 2170 O PHE B 43 -7.373 13.278 4.234 1.00 0.00 O ATOM 2171 CB PHE B 43 -7.160 10.168 5.109 1.00 0.00 C ATOM 2172 CG PHE B 43 -5.645 10.121 5.143 1.00 0.00 C ATOM 2173 CD1 PHE B 43 -4.985 9.800 6.336 1.00 0.00 C ATOM 2174 CD2 PHE B 43 -4.905 10.395 3.986 1.00 0.00 C ATOM 2175 CE1 PHE B 43 -3.587 9.753 6.372 1.00 0.00 C ATOM 2176 CE2 PHE B 43 -3.506 10.348 4.022 1.00 0.00 C ATOM 2177 CZ PHE B 43 -2.847 10.027 5.215 1.00 0.00 C ATOM 0 H PHE B 43 -9.083 10.133 6.686 1.00 0.00 H new ATOM 0 HA PHE B 43 -6.870 11.908 6.362 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -7.568 9.297 5.621 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -7.508 10.123 4.077 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -5.555 9.589 7.228 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -5.413 10.643 3.066 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -3.079 9.505 7.292 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -2.935 10.559 3.130 1.00 0.00 H new ATOM 0 HZ PHE B 43 -1.768 9.991 5.243 1.00 0.00 H new ATOM 2187 N LEU B 44 -9.396 12.425 4.363 1.00 0.00 N ATOM 2188 CA LEU B 44 -9.922 13.360 3.327 1.00 0.00 C ATOM 2189 C LEU B 44 -9.471 14.791 3.639 1.00 0.00 C ATOM 2190 O LEU B 44 -8.983 15.498 2.781 1.00 0.00 O ATOM 2191 CB LEU B 44 -11.460 13.280 3.325 1.00 0.00 C ATOM 2192 CG LEU B 44 -12.045 13.802 1.993 1.00 0.00 C ATOM 2193 CD1 LEU B 44 -13.459 13.246 1.804 1.00 0.00 C ATOM 2194 CD2 LEU B 44 -12.116 15.337 1.999 1.00 0.00 C ATOM 0 H LEU B 44 -10.082 11.773 4.743 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.537 13.081 2.346 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -11.773 12.248 3.483 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.858 13.865 4.154 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.397 13.475 1.180 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -13.872 13.614 0.865 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -13.422 12.157 1.782 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -14.091 13.571 2.630 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -12.530 15.686 1.053 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -12.753 15.669 2.819 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -11.115 15.747 2.130 1.00 0.00 H new ATOM 2206 N GLU B 45 -9.633 15.228 4.854 1.00 0.00 N ATOM 2207 CA GLU B 45 -9.219 16.616 5.201 1.00 0.00 C ATOM 2208 C GLU B 45 -7.763 16.851 4.788 1.00 0.00 C ATOM 2209 O GLU B 45 -7.396 17.929 4.362 1.00 0.00 O ATOM 2210 CB GLU B 45 -9.358 16.822 6.711 1.00 0.00 C ATOM 2211 CG GLU B 45 -9.282 18.315 7.035 1.00 0.00 C ATOM 2212 CD GLU B 45 -9.323 18.511 8.551 1.00 0.00 C ATOM 2213 OE1 GLU B 45 -10.416 18.593 9.089 1.00 0.00 O ATOM 2214 OE2 GLU B 45 -8.262 18.574 9.150 1.00 0.00 O ATOM 0 H GLU B 45 -10.033 14.687 5.621 1.00 0.00 H new ATOM 0 HA GLU B 45 -9.857 17.322 4.670 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -10.306 16.412 7.058 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -8.568 16.285 7.236 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -8.365 18.740 6.627 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -10.113 18.842 6.567 1.00 0.00 H new ATOM 2221 N GLU B 46 -6.927 15.861 4.928 1.00 0.00 N ATOM 2222 CA GLU B 46 -5.489 16.037 4.563 1.00 0.00 C ATOM 2223 C GLU B 46 -5.281 15.855 3.052 1.00 0.00 C ATOM 2224 O GLU B 46 -4.502 15.025 2.627 1.00 0.00 O ATOM 2225 CB GLU B 46 -4.650 15.000 5.318 1.00 0.00 C ATOM 2226 CG GLU B 46 -3.177 15.415 5.300 1.00 0.00 C ATOM 2227 CD GLU B 46 -2.363 14.441 6.153 1.00 0.00 C ATOM 2228 OE1 GLU B 46 -1.959 13.417 5.627 1.00 0.00 O ATOM 2229 OE2 GLU B 46 -2.157 14.736 7.319 1.00 0.00 O ATOM 0 H GLU B 46 -7.175 14.936 5.279 1.00 0.00 H new ATOM 0 HA GLU B 46 -5.180 17.046 4.836 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -5.001 14.914 6.346 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -4.767 14.019 4.858 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -2.802 15.420 4.277 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -3.069 16.429 5.684 1.00 0.00 H new ATOM 2236 N ILE B 47 -5.951 16.640 2.241 1.00 0.00 N ATOM 2237 CA ILE B 47 -5.777 16.538 0.751 1.00 0.00 C ATOM 2238 C ILE B 47 -5.426 17.922 0.196 1.00 0.00 C ATOM 2239 O ILE B 47 -5.709 18.933 0.807 1.00 0.00 O ATOM 2240 CB ILE B 47 -7.077 16.048 0.100 1.00 0.00 C ATOM 2241 CG1 ILE B 47 -7.325 14.588 0.492 1.00 0.00 C ATOM 2242 CG2 ILE B 47 -6.956 16.150 -1.427 1.00 0.00 C ATOM 2243 CD1 ILE B 47 -8.724 14.161 0.038 1.00 0.00 C ATOM 0 H ILE B 47 -6.615 17.352 2.546 1.00 0.00 H new ATOM 0 HA ILE B 47 -4.979 15.829 0.529 1.00 0.00 H new ATOM 0 HB ILE B 47 -7.908 16.665 0.442 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -6.572 13.946 0.035 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -7.231 14.470 1.572 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -7.880 15.802 -1.889 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -6.778 17.188 -1.709 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -6.125 15.533 -1.768 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -8.896 13.122 0.319 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -9.471 14.795 0.516 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -8.802 14.262 -1.045 1.00 0.00 H new ATOM 2255 N LYS B 48 -4.827 17.978 -0.968 1.00 0.00 N ATOM 2256 CA LYS B 48 -4.474 19.300 -1.572 1.00 0.00 C ATOM 2257 C LYS B 48 -4.618 19.197 -3.094 1.00 0.00 C ATOM 2258 O LYS B 48 -5.149 20.077 -3.741 1.00 0.00 O ATOM 2259 CB LYS B 48 -3.031 19.663 -1.210 1.00 0.00 C ATOM 2260 CG LYS B 48 -2.912 19.843 0.305 1.00 0.00 C ATOM 2261 CD LYS B 48 -1.511 20.351 0.652 1.00 0.00 C ATOM 2262 CE LYS B 48 -1.313 20.315 2.168 1.00 0.00 C ATOM 2263 NZ LYS B 48 -1.116 18.906 2.611 1.00 0.00 N ATOM 0 H LYS B 48 -4.567 17.165 -1.526 1.00 0.00 H new ATOM 0 HA LYS B 48 -5.138 20.075 -1.189 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -2.353 18.880 -1.548 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -2.737 20.581 -1.720 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -3.664 20.549 0.658 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -3.102 18.896 0.810 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -0.758 19.734 0.162 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -1.380 21.368 0.282 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -0.450 20.919 2.447 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -2.179 20.747 2.669 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -0.687 18.897 3.558 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -2.035 18.420 2.643 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -0.488 18.416 1.942 1.00 0.00 H new ATOM 2277 N GLU B 49 -4.158 18.114 -3.664 1.00 0.00 N ATOM 2278 CA GLU B 49 -4.274 17.927 -5.140 1.00 0.00 C ATOM 2279 C GLU B 49 -5.653 17.340 -5.456 1.00 0.00 C ATOM 2280 O GLU B 49 -5.773 16.225 -5.922 1.00 0.00 O ATOM 2281 CB GLU B 49 -3.187 16.962 -5.619 1.00 0.00 C ATOM 2282 CG GLU B 49 -1.823 17.426 -5.103 1.00 0.00 C ATOM 2283 CD GLU B 49 -1.478 18.782 -5.721 1.00 0.00 C ATOM 2284 OE1 GLU B 49 -1.084 18.801 -6.876 1.00 0.00 O ATOM 2285 OE2 GLU B 49 -1.614 19.778 -5.030 1.00 0.00 O ATOM 0 H GLU B 49 -3.705 17.347 -3.167 1.00 0.00 H new ATOM 0 HA GLU B 49 -4.153 18.885 -5.646 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -3.398 15.954 -5.262 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -3.179 16.919 -6.708 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -1.841 17.504 -4.016 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -1.057 16.693 -5.358 1.00 0.00 H new ATOM 2292 N GLN B 50 -6.693 18.076 -5.179 1.00 0.00 N ATOM 2293 CA GLN B 50 -8.071 17.564 -5.429 1.00 0.00 C ATOM 2294 C GLN B 50 -8.172 16.911 -6.812 1.00 0.00 C ATOM 2295 O GLN B 50 -8.961 16.011 -7.025 1.00 0.00 O ATOM 2296 CB GLN B 50 -9.059 18.730 -5.357 1.00 0.00 C ATOM 2297 CG GLN B 50 -10.490 18.192 -5.436 1.00 0.00 C ATOM 2298 CD GLN B 50 -11.473 19.295 -5.041 1.00 0.00 C ATOM 2299 OE1 GLN B 50 -11.572 19.651 -3.884 1.00 0.00 O ATOM 2300 NE2 GLN B 50 -12.210 19.854 -5.961 1.00 0.00 N ATOM 0 H GLN B 50 -6.648 19.017 -4.787 1.00 0.00 H new ATOM 0 HA GLN B 50 -8.305 16.816 -4.672 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -8.918 19.283 -4.429 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -8.876 19.427 -6.175 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -10.704 17.845 -6.447 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -10.604 17.334 -4.773 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -12.127 19.555 -6.933 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -12.869 20.590 -5.709 1.00 0.00 H new ATOM 2309 N GLU B 51 -7.397 17.364 -7.760 1.00 0.00 N ATOM 2310 CA GLU B 51 -7.475 16.772 -9.129 1.00 0.00 C ATOM 2311 C GLU B 51 -6.879 15.362 -9.133 1.00 0.00 C ATOM 2312 O GLU B 51 -7.247 14.536 -9.945 1.00 0.00 O ATOM 2313 CB GLU B 51 -6.745 17.661 -10.137 1.00 0.00 C ATOM 2314 CG GLU B 51 -6.876 17.060 -11.539 1.00 0.00 C ATOM 2315 CD GLU B 51 -6.440 18.091 -12.581 1.00 0.00 C ATOM 2316 OE1 GLU B 51 -5.345 18.612 -12.449 1.00 0.00 O ATOM 2317 OE2 GLU B 51 -7.210 18.343 -13.494 1.00 0.00 O ATOM 0 H GLU B 51 -6.716 18.115 -7.648 1.00 0.00 H new ATOM 0 HA GLU B 51 -8.523 16.708 -9.420 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -7.164 18.667 -10.121 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -5.693 17.749 -9.865 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -6.262 16.163 -11.620 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -7.907 16.757 -11.721 1.00 0.00 H new ATOM 2324 N VAL B 52 -6.006 15.051 -8.219 1.00 0.00 N ATOM 2325 CA VAL B 52 -5.461 13.665 -8.180 1.00 0.00 C ATOM 2326 C VAL B 52 -6.559 12.757 -7.633 1.00 0.00 C ATOM 2327 O VAL B 52 -6.862 11.727 -8.202 1.00 0.00 O ATOM 2328 CB VAL B 52 -4.240 13.609 -7.254 1.00 0.00 C ATOM 2329 CG1 VAL B 52 -3.852 12.151 -6.992 1.00 0.00 C ATOM 2330 CG2 VAL B 52 -3.065 14.327 -7.914 1.00 0.00 C ATOM 0 H VAL B 52 -5.649 15.686 -7.505 1.00 0.00 H new ATOM 0 HA VAL B 52 -5.153 13.347 -9.176 1.00 0.00 H new ATOM 0 HB VAL B 52 -4.487 14.095 -6.310 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -2.984 12.118 -6.334 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -4.686 11.632 -6.519 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -3.610 11.664 -7.936 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -2.198 14.287 -7.255 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -2.826 13.840 -8.859 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -3.332 15.367 -8.099 1.00 0.00 H new ATOM 2340 N VAL B 53 -7.171 13.129 -6.547 1.00 0.00 N ATOM 2341 CA VAL B 53 -8.257 12.280 -5.994 1.00 0.00 C ATOM 2342 C VAL B 53 -9.410 12.247 -6.997 1.00 0.00 C ATOM 2343 O VAL B 53 -10.131 11.276 -7.106 1.00 0.00 O ATOM 2344 CB VAL B 53 -8.740 12.869 -4.669 1.00 0.00 C ATOM 2345 CG1 VAL B 53 -9.945 12.074 -4.161 1.00 0.00 C ATOM 2346 CG2 VAL B 53 -7.610 12.792 -3.640 1.00 0.00 C ATOM 0 H VAL B 53 -6.968 13.979 -6.021 1.00 0.00 H new ATOM 0 HA VAL B 53 -7.890 11.269 -5.819 1.00 0.00 H new ATOM 0 HB VAL B 53 -9.031 13.909 -4.819 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -10.287 12.496 -3.216 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -10.750 12.125 -4.894 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -9.657 11.034 -4.010 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -7.951 13.211 -2.693 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -7.322 11.751 -3.493 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -6.751 13.359 -4.000 1.00 0.00 H new ATOM 2356 N ASP B 54 -9.589 13.314 -7.728 1.00 0.00 N ATOM 2357 CA ASP B 54 -10.692 13.364 -8.725 1.00 0.00 C ATOM 2358 C ASP B 54 -10.501 12.264 -9.772 1.00 0.00 C ATOM 2359 O ASP B 54 -11.422 11.544 -10.102 1.00 0.00 O ATOM 2360 CB ASP B 54 -10.693 14.727 -9.420 1.00 0.00 C ATOM 2361 CG ASP B 54 -12.004 14.907 -10.187 1.00 0.00 C ATOM 2362 OD1 ASP B 54 -12.946 15.415 -9.601 1.00 0.00 O ATOM 2363 OD2 ASP B 54 -12.045 14.532 -11.348 1.00 0.00 O ATOM 0 H ASP B 54 -9.015 14.156 -7.676 1.00 0.00 H new ATOM 0 HA ASP B 54 -11.641 13.212 -8.212 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -10.578 15.523 -8.684 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -9.847 14.800 -10.103 1.00 0.00 H new ATOM 2368 N LYS B 55 -9.315 12.135 -10.313 1.00 0.00 N ATOM 2369 CA LYS B 55 -9.090 11.088 -11.351 1.00 0.00 C ATOM 2370 C LYS B 55 -9.226 9.703 -10.720 1.00 0.00 C ATOM 2371 O LYS B 55 -9.606 8.756 -11.381 1.00 0.00 O ATOM 2372 CB LYS B 55 -7.703 11.251 -11.977 1.00 0.00 C ATOM 2373 CG LYS B 55 -7.724 12.408 -12.978 1.00 0.00 C ATOM 2374 CD LYS B 55 -6.288 12.794 -13.342 1.00 0.00 C ATOM 2375 CE LYS B 55 -6.300 13.751 -14.537 1.00 0.00 C ATOM 2376 NZ LYS B 55 -6.876 15.060 -14.120 1.00 0.00 N ATOM 0 H LYS B 55 -8.501 12.705 -10.082 1.00 0.00 H new ATOM 0 HA LYS B 55 -9.838 11.198 -12.136 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -6.963 11.442 -11.200 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -7.408 10.329 -12.478 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -8.272 12.118 -13.874 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -8.245 13.264 -12.549 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -5.801 13.267 -12.489 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -5.711 11.901 -13.584 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -5.287 13.891 -14.914 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -6.887 13.326 -15.351 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -7.660 15.312 -14.755 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -7.229 14.989 -13.144 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -6.141 15.794 -14.170 1.00 0.00 H new ATOM 2390 N VAL B 56 -8.968 9.567 -9.450 1.00 0.00 N ATOM 2391 CA VAL B 56 -9.142 8.236 -8.809 1.00 0.00 C ATOM 2392 C VAL B 56 -10.625 7.872 -8.878 1.00 0.00 C ATOM 2393 O VAL B 56 -11.001 6.838 -9.394 1.00 0.00 O ATOM 2394 CB VAL B 56 -8.697 8.312 -7.345 1.00 0.00 C ATOM 2395 CG1 VAL B 56 -9.089 7.022 -6.619 1.00 0.00 C ATOM 2396 CG2 VAL B 56 -7.177 8.485 -7.287 1.00 0.00 C ATOM 0 H VAL B 56 -8.647 10.313 -8.833 1.00 0.00 H new ATOM 0 HA VAL B 56 -8.542 7.483 -9.320 1.00 0.00 H new ATOM 0 HB VAL B 56 -9.183 9.160 -6.862 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -8.771 7.079 -5.578 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -10.171 6.895 -6.662 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -8.605 6.172 -7.100 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -6.856 8.540 -6.247 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -6.695 7.635 -7.771 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -6.895 9.403 -7.802 1.00 0.00 H new ATOM 2406 N MET B 57 -11.469 8.719 -8.356 1.00 0.00 N ATOM 2407 CA MET B 57 -12.930 8.432 -8.382 1.00 0.00 C ATOM 2408 C MET B 57 -13.373 8.127 -9.819 1.00 0.00 C ATOM 2409 O MET B 57 -14.290 7.362 -10.041 1.00 0.00 O ATOM 2410 CB MET B 57 -13.699 9.653 -7.847 1.00 0.00 C ATOM 2411 CG MET B 57 -13.757 9.607 -6.314 1.00 0.00 C ATOM 2412 SD MET B 57 -12.085 9.424 -5.644 1.00 0.00 S ATOM 2413 CE MET B 57 -12.565 8.954 -3.962 1.00 0.00 C ATOM 0 H MET B 57 -11.209 9.599 -7.912 1.00 0.00 H new ATOM 0 HA MET B 57 -13.142 7.567 -7.754 1.00 0.00 H new ATOM 0 HB2 MET B 57 -13.211 10.572 -8.173 1.00 0.00 H new ATOM 0 HB3 MET B 57 -14.709 9.665 -8.257 1.00 0.00 H new ATOM 0 HG2 MET B 57 -14.215 10.519 -5.930 1.00 0.00 H new ATOM 0 HG3 MET B 57 -14.382 8.775 -5.989 1.00 0.00 H new ATOM 0 HE1 MET B 57 -11.671 8.823 -3.352 1.00 0.00 H new ATOM 0 HE2 MET B 57 -13.188 9.736 -3.529 1.00 0.00 H new ATOM 0 HE3 MET B 57 -13.124 8.019 -3.991 1.00 0.00 H new ATOM 2423 N GLU B 58 -12.716 8.698 -10.804 1.00 0.00 N ATOM 2424 CA GLU B 58 -13.089 8.413 -12.223 1.00 0.00 C ATOM 2425 C GLU B 58 -12.345 7.167 -12.698 1.00 0.00 C ATOM 2426 O GLU B 58 -12.884 6.354 -13.422 1.00 0.00 O ATOM 2427 CB GLU B 58 -12.748 9.609 -13.115 1.00 0.00 C ATOM 2428 CG GLU B 58 -13.342 9.390 -14.508 1.00 0.00 C ATOM 2429 CD GLU B 58 -13.202 10.673 -15.331 1.00 0.00 C ATOM 2430 OE1 GLU B 58 -12.191 11.340 -15.183 1.00 0.00 O ATOM 2431 OE2 GLU B 58 -14.107 10.965 -16.094 1.00 0.00 O ATOM 0 H GLU B 58 -11.939 9.348 -10.683 1.00 0.00 H new ATOM 0 HA GLU B 58 -14.163 8.238 -12.285 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -13.144 10.526 -12.679 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -11.667 9.729 -13.183 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -12.831 8.567 -15.008 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -14.392 9.110 -14.427 1.00 0.00 H new ATOM 2438 N THR B 59 -11.117 6.995 -12.289 1.00 0.00 N ATOM 2439 CA THR B 59 -10.369 5.782 -12.719 1.00 0.00 C ATOM 2440 C THR B 59 -11.019 4.571 -12.057 1.00 0.00 C ATOM 2441 O THR B 59 -11.273 3.572 -12.700 1.00 0.00 O ATOM 2442 CB THR B 59 -8.899 5.894 -12.315 1.00 0.00 C ATOM 2443 OG1 THR B 59 -8.403 7.170 -12.696 1.00 0.00 O ATOM 2444 CG2 THR B 59 -8.091 4.801 -13.014 1.00 0.00 C ATOM 0 H THR B 59 -10.605 7.635 -11.682 1.00 0.00 H new ATOM 0 HA THR B 59 -10.405 5.678 -13.803 1.00 0.00 H new ATOM 0 HB THR B 59 -8.807 5.775 -11.235 1.00 0.00 H new ATOM 0 HG1 THR B 59 -8.596 7.821 -11.989 1.00 0.00 H new ATOM 0 HG21 THR B 59 -7.043 4.882 -12.725 1.00 0.00 H new ATOM 0 HG22 THR B 59 -8.473 3.823 -12.722 1.00 0.00 H new ATOM 0 HG23 THR B 59 -8.180 4.918 -14.094 1.00 0.00 H new ATOM 2452 N LEU B 60 -11.345 4.655 -10.800 1.00 0.00 N ATOM 2453 CA LEU B 60 -12.036 3.516 -10.142 1.00 0.00 C ATOM 2454 C LEU B 60 -13.402 3.345 -10.806 1.00 0.00 C ATOM 2455 O LEU B 60 -13.722 2.294 -11.326 1.00 0.00 O ATOM 2456 CB LEU B 60 -12.231 3.836 -8.653 1.00 0.00 C ATOM 2457 CG LEU B 60 -12.617 2.557 -7.881 1.00 0.00 C ATOM 2458 CD1 LEU B 60 -11.358 1.782 -7.473 1.00 0.00 C ATOM 2459 CD2 LEU B 60 -13.400 2.934 -6.619 1.00 0.00 C ATOM 0 H LEU B 60 -11.163 5.461 -10.201 1.00 0.00 H new ATOM 0 HA LEU B 60 -11.448 2.603 -10.240 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -11.314 4.256 -8.240 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -13.009 4.590 -8.534 1.00 0.00 H new ATOM 0 HG LEU B 60 -13.232 1.932 -8.528 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -11.645 0.882 -6.929 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -10.797 1.503 -8.365 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -10.736 2.409 -6.834 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -13.672 2.029 -6.075 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -12.782 3.568 -5.983 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -14.304 3.474 -6.900 1.00 0.00 H new ATOM 2471 N ASP B 61 -14.210 4.371 -10.803 1.00 0.00 N ATOM 2472 CA ASP B 61 -15.547 4.261 -11.447 1.00 0.00 C ATOM 2473 C ASP B 61 -15.378 3.689 -12.856 1.00 0.00 C ATOM 2474 O ASP B 61 -16.312 3.187 -13.449 1.00 0.00 O ATOM 2475 CB ASP B 61 -16.191 5.646 -11.529 1.00 0.00 C ATOM 2476 CG ASP B 61 -17.592 5.523 -12.132 1.00 0.00 C ATOM 2477 OD1 ASP B 61 -17.684 5.208 -13.307 1.00 0.00 O ATOM 2478 OD2 ASP B 61 -18.548 5.746 -11.408 1.00 0.00 O ATOM 0 H ASP B 61 -14.001 5.277 -10.383 1.00 0.00 H new ATOM 0 HA ASP B 61 -16.186 3.603 -10.858 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -16.249 6.091 -10.536 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -15.578 6.308 -12.140 1.00 0.00 H new ATOM 2483 N GLU B 62 -14.184 3.761 -13.393 1.00 0.00 N ATOM 2484 CA GLU B 62 -13.929 3.222 -14.766 1.00 0.00 C ATOM 2485 C GLU B 62 -13.223 1.881 -14.653 1.00 0.00 C ATOM 2486 O GLU B 62 -12.295 1.572 -15.375 1.00 0.00 O ATOM 2487 CB GLU B 62 -13.043 4.177 -15.521 1.00 0.00 C ATOM 2488 CG GLU B 62 -13.843 5.410 -15.955 1.00 0.00 C ATOM 2489 CD GLU B 62 -14.719 5.055 -17.158 1.00 0.00 C ATOM 2490 OE1 GLU B 62 -15.808 4.547 -16.944 1.00 0.00 O ATOM 2491 OE2 GLU B 62 -14.286 5.296 -18.273 1.00 0.00 O ATOM 0 H GLU B 62 -13.370 4.173 -12.936 1.00 0.00 H new ATOM 0 HA GLU B 62 -14.876 3.102 -15.292 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -12.205 4.480 -14.894 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -12.623 3.681 -16.396 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -14.464 5.762 -15.131 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -13.165 6.224 -16.213 1.00 0.00 H new ATOM 2498 N ASP B 63 -13.676 1.103 -13.751 1.00 0.00 N ATOM 2499 CA ASP B 63 -13.090 -0.254 -13.520 1.00 0.00 C ATOM 2500 C ASP B 63 -12.854 -0.940 -14.867 1.00 0.00 C ATOM 2501 O ASP B 63 -11.883 -1.644 -15.059 1.00 0.00 O ATOM 2502 CB ASP B 63 -14.104 -1.082 -12.733 1.00 0.00 C ATOM 2503 CG ASP B 63 -15.433 -1.112 -13.490 1.00 0.00 C ATOM 2504 OD1 ASP B 63 -15.678 -0.195 -14.256 1.00 0.00 O ATOM 2505 OD2 ASP B 63 -16.184 -2.053 -13.290 1.00 0.00 O ATOM 0 H ASP B 63 -14.452 1.338 -13.133 1.00 0.00 H new ATOM 0 HA ASP B 63 -12.149 -0.167 -12.977 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -13.730 -2.096 -12.592 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -14.248 -0.654 -11.741 1.00 0.00 H new ATOM 2510 N GLY B 64 -13.724 -0.692 -15.803 1.00 0.00 N ATOM 2511 CA GLY B 64 -13.583 -1.273 -17.171 1.00 0.00 C ATOM 2512 C GLY B 64 -13.365 -2.799 -17.145 1.00 0.00 C ATOM 2513 O GLY B 64 -13.393 -3.437 -18.180 1.00 0.00 O ATOM 0 H GLY B 64 -14.545 -0.099 -15.678 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -14.477 -1.047 -17.752 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -12.744 -0.798 -17.679 1.00 0.00 H new ATOM 2517 N ASP B 65 -13.151 -3.399 -15.994 1.00 0.00 N ATOM 2518 CA ASP B 65 -12.937 -4.893 -15.943 1.00 0.00 C ATOM 2519 C ASP B 65 -14.187 -5.641 -15.405 1.00 0.00 C ATOM 2520 O ASP B 65 -14.428 -6.763 -15.805 1.00 0.00 O ATOM 2521 CB ASP B 65 -11.750 -5.189 -15.022 1.00 0.00 C ATOM 2522 CG ASP B 65 -11.887 -4.373 -13.735 1.00 0.00 C ATOM 2523 OD1 ASP B 65 -12.980 -4.336 -13.194 1.00 0.00 O ATOM 2524 OD2 ASP B 65 -10.897 -3.798 -13.313 1.00 0.00 O ATOM 0 H ASP B 65 -13.115 -2.926 -15.091 1.00 0.00 H new ATOM 0 HA ASP B 65 -12.747 -5.242 -16.958 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -11.714 -6.253 -14.788 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -10.815 -4.941 -15.525 1.00 0.00 H new ATOM 2529 N GLY B 66 -14.983 -5.073 -14.519 1.00 0.00 N ATOM 2530 CA GLY B 66 -16.186 -5.800 -14.000 1.00 0.00 C ATOM 2531 C GLY B 66 -15.893 -6.324 -12.591 1.00 0.00 C ATOM 2532 O GLY B 66 -16.787 -6.482 -11.783 1.00 0.00 O ATOM 0 H GLY B 66 -14.847 -4.137 -14.136 1.00 0.00 H new ATOM 0 HA2 GLY B 66 -17.048 -5.133 -13.980 1.00 0.00 H new ATOM 0 HA3 GLY B 66 -16.439 -6.628 -14.663 1.00 0.00 H new ATOM 2536 N GLU B 67 -14.645 -6.582 -12.281 1.00 0.00 N ATOM 2537 CA GLU B 67 -14.297 -7.082 -10.911 1.00 0.00 C ATOM 2538 C GLU B 67 -12.911 -6.562 -10.512 1.00 0.00 C ATOM 2539 O GLU B 67 -11.966 -6.673 -11.268 1.00 0.00 O ATOM 2540 CB GLU B 67 -14.290 -8.613 -10.911 1.00 0.00 C ATOM 2541 CG GLU B 67 -15.626 -9.133 -11.449 1.00 0.00 C ATOM 2542 CD GLU B 67 -15.720 -10.641 -11.217 1.00 0.00 C ATOM 2543 OE1 GLU B 67 -14.840 -11.348 -11.680 1.00 0.00 O ATOM 2544 OE2 GLU B 67 -16.671 -11.064 -10.581 1.00 0.00 O ATOM 0 H GLU B 67 -13.854 -6.469 -12.915 1.00 0.00 H new ATOM 0 HA GLU B 67 -15.037 -6.724 -10.196 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -13.470 -8.983 -11.526 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -14.124 -8.986 -9.900 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -16.452 -8.626 -10.951 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -15.712 -8.912 -12.513 1.00 0.00 H new ATOM 2551 N CYS B 68 -12.775 -6.000 -9.330 1.00 0.00 N ATOM 2552 CA CYS B 68 -11.440 -5.476 -8.881 1.00 0.00 C ATOM 2553 C CYS B 68 -10.869 -6.395 -7.795 1.00 0.00 C ATOM 2554 O CYS B 68 -11.524 -6.697 -6.817 1.00 0.00 O ATOM 2555 CB CYS B 68 -11.613 -4.062 -8.316 1.00 0.00 C ATOM 2556 SG CYS B 68 -12.718 -3.113 -9.391 1.00 0.00 S ATOM 0 H CYS B 68 -13.532 -5.882 -8.656 1.00 0.00 H new ATOM 0 HA CYS B 68 -10.755 -5.448 -9.729 1.00 0.00 H new ATOM 0 HB2 CYS B 68 -12.023 -4.110 -7.307 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -10.645 -3.567 -8.244 1.00 0.00 H new ATOM 0 HG CYS B 68 -12.867 -1.914 -8.911 1.00 0.00 H new ATOM 2562 N ASP B 69 -9.655 -6.848 -7.963 1.00 0.00 N ATOM 2563 CA ASP B 69 -9.040 -7.754 -6.947 1.00 0.00 C ATOM 2564 C ASP B 69 -8.435 -6.926 -5.807 1.00 0.00 C ATOM 2565 O ASP B 69 -8.603 -5.725 -5.741 1.00 0.00 O ATOM 2566 CB ASP B 69 -7.940 -8.589 -7.610 1.00 0.00 C ATOM 2567 CG ASP B 69 -7.579 -9.772 -6.709 1.00 0.00 C ATOM 2568 OD1 ASP B 69 -8.383 -10.686 -6.614 1.00 0.00 O ATOM 2569 OD2 ASP B 69 -6.506 -9.746 -6.129 1.00 0.00 O ATOM 0 H ASP B 69 -9.060 -6.629 -8.762 1.00 0.00 H new ATOM 0 HA ASP B 69 -9.808 -8.413 -6.542 1.00 0.00 H new ATOM 0 HB2 ASP B 69 -8.279 -8.949 -8.582 1.00 0.00 H new ATOM 0 HB3 ASP B 69 -7.059 -7.972 -7.788 1.00 0.00 H new ATOM 2574 N PHE B 70 -7.723 -7.564 -4.915 1.00 0.00 N ATOM 2575 CA PHE B 70 -7.095 -6.818 -3.783 1.00 0.00 C ATOM 2576 C PHE B 70 -5.909 -6.013 -4.320 1.00 0.00 C ATOM 2577 O PHE B 70 -5.665 -4.901 -3.896 1.00 0.00 O ATOM 2578 CB PHE B 70 -6.621 -7.815 -2.719 1.00 0.00 C ATOM 2579 CG PHE B 70 -6.059 -7.085 -1.518 1.00 0.00 C ATOM 2580 CD1 PHE B 70 -4.778 -6.516 -1.572 1.00 0.00 C ATOM 2581 CD2 PHE B 70 -6.815 -6.987 -0.344 1.00 0.00 C ATOM 2582 CE1 PHE B 70 -4.259 -5.851 -0.454 1.00 0.00 C ATOM 2583 CE2 PHE B 70 -6.297 -6.323 0.772 1.00 0.00 C ATOM 2584 CZ PHE B 70 -5.019 -5.754 0.718 1.00 0.00 C ATOM 0 H PHE B 70 -7.549 -8.569 -4.921 1.00 0.00 H new ATOM 0 HA PHE B 70 -7.818 -6.139 -3.331 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -7.453 -8.448 -2.410 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -5.860 -8.471 -3.141 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -4.192 -6.591 -2.476 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -7.801 -7.425 -0.300 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -3.273 -5.413 -0.496 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -6.883 -6.249 1.676 1.00 0.00 H new ATOM 0 HZ PHE B 70 -4.619 -5.240 1.580 1.00 0.00 H new ATOM 2594 N GLN B 71 -5.175 -6.549 -5.253 1.00 0.00 N ATOM 2595 CA GLN B 71 -4.019 -5.788 -5.807 1.00 0.00 C ATOM 2596 C GLN B 71 -4.505 -4.411 -6.269 1.00 0.00 C ATOM 2597 O GLN B 71 -3.812 -3.423 -6.134 1.00 0.00 O ATOM 2598 CB GLN B 71 -3.434 -6.550 -6.998 1.00 0.00 C ATOM 2599 CG GLN B 71 -2.176 -5.836 -7.493 1.00 0.00 C ATOM 2600 CD GLN B 71 -1.506 -6.678 -8.582 1.00 0.00 C ATOM 2601 OE1 GLN B 71 -1.711 -6.447 -9.757 1.00 0.00 O ATOM 2602 NE2 GLN B 71 -0.708 -7.651 -8.238 1.00 0.00 N ATOM 0 H GLN B 71 -5.323 -7.475 -5.655 1.00 0.00 H new ATOM 0 HA GLN B 71 -3.252 -5.670 -5.042 1.00 0.00 H new ATOM 0 HB2 GLN B 71 -3.194 -7.572 -6.706 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -4.169 -6.612 -7.800 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -2.434 -4.853 -7.886 1.00 0.00 H new ATOM 0 HG3 GLN B 71 -1.485 -5.677 -6.665 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -0.536 -7.845 -7.251 1.00 0.00 H new ATOM 0 HE22 GLN B 71 -0.256 -8.218 -8.956 1.00 0.00 H new ATOM 2611 N GLU B 72 -5.690 -4.335 -6.805 1.00 0.00 N ATOM 2612 CA GLU B 72 -6.218 -3.018 -7.267 1.00 0.00 C ATOM 2613 C GLU B 72 -6.594 -2.152 -6.058 1.00 0.00 C ATOM 2614 O GLU B 72 -6.584 -0.941 -6.121 1.00 0.00 O ATOM 2615 CB GLU B 72 -7.445 -3.234 -8.154 1.00 0.00 C ATOM 2616 CG GLU B 72 -7.050 -4.063 -9.377 1.00 0.00 C ATOM 2617 CD GLU B 72 -6.090 -3.255 -10.252 1.00 0.00 C ATOM 2618 OE1 GLU B 72 -6.419 -2.125 -10.572 1.00 0.00 O ATOM 2619 OE2 GLU B 72 -5.041 -3.781 -10.588 1.00 0.00 O ATOM 0 H GLU B 72 -6.318 -5.127 -6.944 1.00 0.00 H new ATOM 0 HA GLU B 72 -5.446 -2.507 -7.843 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -8.228 -3.744 -7.593 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -7.853 -2.274 -8.469 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -6.577 -4.993 -9.062 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -7.938 -4.335 -9.948 1.00 0.00 H new ATOM 2626 N PHE B 73 -6.889 -2.768 -4.947 1.00 0.00 N ATOM 2627 CA PHE B 73 -7.233 -1.993 -3.718 1.00 0.00 C ATOM 2628 C PHE B 73 -5.952 -1.418 -3.105 1.00 0.00 C ATOM 2629 O PHE B 73 -5.937 -0.294 -2.647 1.00 0.00 O ATOM 2630 CB PHE B 73 -7.962 -2.903 -2.720 1.00 0.00 C ATOM 2631 CG PHE B 73 -8.073 -2.226 -1.372 1.00 0.00 C ATOM 2632 CD1 PHE B 73 -9.071 -1.270 -1.147 1.00 0.00 C ATOM 2633 CD2 PHE B 73 -7.184 -2.564 -0.344 1.00 0.00 C ATOM 2634 CE1 PHE B 73 -9.178 -0.651 0.104 1.00 0.00 C ATOM 2635 CE2 PHE B 73 -7.292 -1.946 0.907 1.00 0.00 C ATOM 2636 CZ PHE B 73 -8.289 -0.989 1.131 1.00 0.00 C ATOM 0 H PHE B 73 -6.907 -3.782 -4.835 1.00 0.00 H new ATOM 0 HA PHE B 73 -7.897 -1.167 -3.973 1.00 0.00 H new ATOM 0 HB2 PHE B 73 -8.956 -3.143 -3.096 1.00 0.00 H new ATOM 0 HB3 PHE B 73 -7.424 -3.845 -2.617 1.00 0.00 H new ATOM 0 HD1 PHE B 73 -9.758 -1.010 -1.939 1.00 0.00 H new ATOM 0 HD2 PHE B 73 -6.415 -3.302 -0.517 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -9.947 0.088 0.277 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -6.606 -2.207 1.699 1.00 0.00 H new ATOM 0 HZ PHE B 73 -8.372 -0.512 2.096 1.00 0.00 H new ATOM 2646 N MET B 74 -4.880 -2.149 -3.088 1.00 0.00 N ATOM 2647 CA MET B 74 -3.637 -1.578 -2.495 1.00 0.00 C ATOM 2648 C MET B 74 -3.098 -0.471 -3.413 1.00 0.00 C ATOM 2649 O MET B 74 -2.475 0.462 -2.947 1.00 0.00 O ATOM 2650 CB MET B 74 -2.586 -2.680 -2.314 1.00 0.00 C ATOM 2651 CG MET B 74 -1.584 -2.267 -1.229 1.00 0.00 C ATOM 2652 SD MET B 74 -2.380 -2.387 0.399 1.00 0.00 S ATOM 2653 CE MET B 74 -2.242 -0.647 0.891 1.00 0.00 C ATOM 0 H MET B 74 -4.805 -3.100 -3.450 1.00 0.00 H new ATOM 0 HA MET B 74 -3.863 -1.153 -1.517 1.00 0.00 H new ATOM 0 HB2 MET B 74 -3.071 -3.616 -2.037 1.00 0.00 H new ATOM 0 HB3 MET B 74 -2.065 -2.857 -3.255 1.00 0.00 H new ATOM 0 HG2 MET B 74 -0.705 -2.911 -1.265 1.00 0.00 H new ATOM 0 HG3 MET B 74 -1.240 -1.248 -1.404 1.00 0.00 H new ATOM 0 HE1 MET B 74 -2.888 -0.459 1.749 1.00 0.00 H new ATOM 0 HE2 MET B 74 -1.209 -0.426 1.159 1.00 0.00 H new ATOM 0 HE3 MET B 74 -2.546 -0.009 0.061 1.00 0.00 H new ATOM 2663 N ALA B 75 -3.329 -0.531 -4.696 1.00 0.00 N ATOM 2664 CA ALA B 75 -2.827 0.553 -5.595 1.00 0.00 C ATOM 2665 C ALA B 75 -3.740 1.787 -5.525 1.00 0.00 C ATOM 2666 O ALA B 75 -3.285 2.876 -5.237 1.00 0.00 O ATOM 2667 CB ALA B 75 -2.795 0.034 -7.033 1.00 0.00 C ATOM 0 H ALA B 75 -3.842 -1.280 -5.162 1.00 0.00 H new ATOM 0 HA ALA B 75 -1.827 0.841 -5.272 1.00 0.00 H new ATOM 0 HB1 ALA B 75 -2.430 0.819 -7.695 1.00 0.00 H new ATOM 0 HB2 ALA B 75 -2.132 -0.829 -7.094 1.00 0.00 H new ATOM 0 HB3 ALA B 75 -3.800 -0.258 -7.337 1.00 0.00 H new ATOM 2673 N PHE B 76 -5.010 1.649 -5.797 1.00 0.00 N ATOM 2674 CA PHE B 76 -5.900 2.850 -5.749 1.00 0.00 C ATOM 2675 C PHE B 76 -5.815 3.499 -4.362 1.00 0.00 C ATOM 2676 O PHE B 76 -5.927 4.701 -4.221 1.00 0.00 O ATOM 2677 CB PHE B 76 -7.357 2.444 -6.045 1.00 0.00 C ATOM 2678 CG PHE B 76 -7.565 2.293 -7.542 1.00 0.00 C ATOM 2679 CD1 PHE B 76 -7.376 3.392 -8.395 1.00 0.00 C ATOM 2680 CD2 PHE B 76 -7.943 1.054 -8.079 1.00 0.00 C ATOM 2681 CE1 PHE B 76 -7.563 3.247 -9.775 1.00 0.00 C ATOM 2682 CE2 PHE B 76 -8.131 0.914 -9.458 1.00 0.00 C ATOM 2683 CZ PHE B 76 -7.940 2.009 -10.306 1.00 0.00 C ATOM 0 H PHE B 76 -5.466 0.772 -6.047 1.00 0.00 H new ATOM 0 HA PHE B 76 -5.573 3.564 -6.504 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -7.590 1.506 -5.541 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -8.039 3.196 -5.650 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -7.086 4.349 -7.987 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -8.089 0.206 -7.426 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -7.416 4.092 -10.431 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -8.424 -0.041 -9.868 1.00 0.00 H new ATOM 0 HZ PHE B 76 -8.083 1.899 -11.371 1.00 0.00 H new ATOM 2693 N VAL B 77 -5.617 2.716 -3.344 1.00 0.00 N ATOM 2694 CA VAL B 77 -5.524 3.292 -1.971 1.00 0.00 C ATOM 2695 C VAL B 77 -4.220 4.088 -1.833 1.00 0.00 C ATOM 2696 O VAL B 77 -4.157 5.071 -1.122 1.00 0.00 O ATOM 2697 CB VAL B 77 -5.557 2.157 -0.940 1.00 0.00 C ATOM 2698 CG1 VAL B 77 -5.210 2.703 0.450 1.00 0.00 C ATOM 2699 CG2 VAL B 77 -6.961 1.540 -0.907 1.00 0.00 C ATOM 0 H VAL B 77 -5.515 1.703 -3.399 1.00 0.00 H new ATOM 0 HA VAL B 77 -6.367 3.960 -1.797 1.00 0.00 H new ATOM 0 HB VAL B 77 -4.827 1.398 -1.220 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -5.236 1.891 1.177 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -4.212 3.141 0.430 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -5.935 3.466 0.733 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -6.987 0.733 -0.175 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -7.688 2.304 -0.631 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -7.208 1.144 -1.892 1.00 0.00 H new ATOM 2709 N SER B 78 -3.178 3.670 -2.498 1.00 0.00 N ATOM 2710 CA SER B 78 -1.881 4.402 -2.394 1.00 0.00 C ATOM 2711 C SER B 78 -1.988 5.770 -3.077 1.00 0.00 C ATOM 2712 O SER B 78 -1.585 6.775 -2.526 1.00 0.00 O ATOM 2713 CB SER B 78 -0.783 3.584 -3.074 1.00 0.00 C ATOM 2714 OG SER B 78 0.477 4.198 -2.836 1.00 0.00 O ATOM 0 H SER B 78 -3.167 2.853 -3.109 1.00 0.00 H new ATOM 0 HA SER B 78 -1.639 4.548 -1.341 1.00 0.00 H new ATOM 0 HB2 SER B 78 -0.782 2.564 -2.689 1.00 0.00 H new ATOM 0 HB3 SER B 78 -0.972 3.520 -4.145 1.00 0.00 H new ATOM 0 HG SER B 78 1.077 4.015 -3.589 1.00 0.00 H new ATOM 2720 N MET B 79 -2.504 5.824 -4.272 1.00 0.00 N ATOM 2721 CA MET B 79 -2.603 7.133 -4.977 1.00 0.00 C ATOM 2722 C MET B 79 -3.339 8.146 -4.103 1.00 0.00 C ATOM 2723 O MET B 79 -2.861 9.236 -3.864 1.00 0.00 O ATOM 2724 CB MET B 79 -3.362 6.946 -6.291 1.00 0.00 C ATOM 2725 CG MET B 79 -2.739 5.791 -7.077 1.00 0.00 C ATOM 2726 SD MET B 79 -3.393 5.785 -8.764 1.00 0.00 S ATOM 2727 CE MET B 79 -3.128 4.028 -9.105 1.00 0.00 C ATOM 0 H MET B 79 -2.861 5.021 -4.791 1.00 0.00 H new ATOM 0 HA MET B 79 -1.599 7.504 -5.182 1.00 0.00 H new ATOM 0 HB2 MET B 79 -4.413 6.739 -6.090 1.00 0.00 H new ATOM 0 HB3 MET B 79 -3.324 7.863 -6.879 1.00 0.00 H new ATOM 0 HG2 MET B 79 -1.654 5.894 -7.097 1.00 0.00 H new ATOM 0 HG3 MET B 79 -2.960 4.843 -6.587 1.00 0.00 H new ATOM 0 HE1 MET B 79 -3.468 3.798 -10.115 1.00 0.00 H new ATOM 0 HE2 MET B 79 -2.066 3.797 -9.018 1.00 0.00 H new ATOM 0 HE3 MET B 79 -3.690 3.429 -8.388 1.00 0.00 H new ATOM 2737 N VAL B 80 -4.504 7.805 -3.637 1.00 0.00 N ATOM 2738 CA VAL B 80 -5.271 8.767 -2.792 1.00 0.00 C ATOM 2739 C VAL B 80 -4.403 9.216 -1.614 1.00 0.00 C ATOM 2740 O VAL B 80 -4.281 10.393 -1.338 1.00 0.00 O ATOM 2741 CB VAL B 80 -6.538 8.092 -2.259 1.00 0.00 C ATOM 2742 CG1 VAL B 80 -7.343 9.098 -1.435 1.00 0.00 C ATOM 2743 CG2 VAL B 80 -7.390 7.600 -3.433 1.00 0.00 C ATOM 0 H VAL B 80 -4.960 6.907 -3.801 1.00 0.00 H new ATOM 0 HA VAL B 80 -5.548 9.632 -3.394 1.00 0.00 H new ATOM 0 HB VAL B 80 -6.260 7.245 -1.632 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -8.245 8.618 -1.055 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -6.739 9.449 -0.598 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -7.619 9.945 -2.063 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -8.291 7.120 -3.052 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -7.667 8.447 -4.061 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -6.818 6.883 -4.022 1.00 0.00 H new ATOM 2753 N THR B 81 -3.787 8.295 -0.924 1.00 0.00 N ATOM 2754 CA THR B 81 -2.919 8.683 0.219 1.00 0.00 C ATOM 2755 C THR B 81 -1.692 9.417 -0.327 1.00 0.00 C ATOM 2756 O THR B 81 -1.239 10.397 0.230 1.00 0.00 O ATOM 2757 CB THR B 81 -2.478 7.421 0.972 1.00 0.00 C ATOM 2758 OG1 THR B 81 -2.182 6.395 0.035 1.00 0.00 O ATOM 2759 CG2 THR B 81 -3.599 6.955 1.904 1.00 0.00 C ATOM 0 H THR B 81 -3.848 7.293 -1.104 1.00 0.00 H new ATOM 0 HA THR B 81 -3.464 9.334 0.903 1.00 0.00 H new ATOM 0 HB THR B 81 -1.590 7.644 1.564 1.00 0.00 H new ATOM 0 HG1 THR B 81 -2.945 5.784 -0.033 1.00 0.00 H new ATOM 0 HG21 THR B 81 -3.281 6.059 2.436 1.00 0.00 H new ATOM 0 HG22 THR B 81 -3.826 7.743 2.623 1.00 0.00 H new ATOM 0 HG23 THR B 81 -4.490 6.732 1.318 1.00 0.00 H new ATOM 2767 N THR B 82 -1.158 8.949 -1.422 1.00 0.00 N ATOM 2768 CA THR B 82 0.032 9.613 -2.022 1.00 0.00 C ATOM 2769 C THR B 82 -0.394 10.943 -2.647 1.00 0.00 C ATOM 2770 O THR B 82 0.416 11.819 -2.878 1.00 0.00 O ATOM 2771 CB THR B 82 0.634 8.709 -3.101 1.00 0.00 C ATOM 2772 OG1 THR B 82 0.707 7.377 -2.611 1.00 0.00 O ATOM 2773 CG2 THR B 82 2.038 9.202 -3.457 1.00 0.00 C ATOM 0 H THR B 82 -1.497 8.131 -1.929 1.00 0.00 H new ATOM 0 HA THR B 82 0.778 9.795 -1.248 1.00 0.00 H new ATOM 0 HB THR B 82 0.006 8.736 -3.992 1.00 0.00 H new ATOM 0 HG1 THR B 82 -0.198 7.014 -2.513 1.00 0.00 H new ATOM 0 HG21 THR B 82 2.466 8.558 -4.225 1.00 0.00 H new ATOM 0 HG22 THR B 82 1.981 10.224 -3.831 1.00 0.00 H new ATOM 0 HG23 THR B 82 2.669 9.176 -2.569 1.00 0.00 H new ATOM 2781 N ALA B 83 -1.661 11.101 -2.920 1.00 0.00 N ATOM 2782 CA ALA B 83 -2.137 12.375 -3.528 1.00 0.00 C ATOM 2783 C ALA B 83 -1.682 13.542 -2.655 1.00 0.00 C ATOM 2784 O ALA B 83 -1.168 14.531 -3.140 1.00 0.00 O ATOM 2785 CB ALA B 83 -3.664 12.360 -3.608 1.00 0.00 C ATOM 0 H ALA B 83 -2.385 10.404 -2.748 1.00 0.00 H new ATOM 0 HA ALA B 83 -1.725 12.484 -4.531 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -4.014 13.292 -4.053 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -3.988 11.520 -4.223 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -4.080 12.258 -2.606 1.00 0.00 H new ATOM 2791 N CYS B 84 -1.856 13.431 -1.368 1.00 0.00 N ATOM 2792 CA CYS B 84 -1.420 14.531 -0.463 1.00 0.00 C ATOM 2793 C CYS B 84 0.106 14.502 -0.352 1.00 0.00 C ATOM 2794 O CYS B 84 0.661 14.424 0.726 1.00 0.00 O ATOM 2795 CB CYS B 84 -2.040 14.332 0.922 1.00 0.00 C ATOM 2796 SG CYS B 84 -1.425 12.791 1.644 1.00 0.00 S ATOM 0 H CYS B 84 -2.280 12.628 -0.904 1.00 0.00 H new ATOM 0 HA CYS B 84 -1.744 15.492 -0.863 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -1.790 15.174 1.568 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -3.127 14.301 0.844 1.00 0.00 H new ATOM 0 HG CYS B 84 -1.554 11.826 0.782 1.00 0.00 H new ATOM 2802 N HIS B 85 0.785 14.556 -1.466 1.00 0.00 N ATOM 2803 CA HIS B 85 2.275 14.523 -1.443 1.00 0.00 C ATOM 2804 C HIS B 85 2.804 15.528 -0.418 1.00 0.00 C ATOM 2805 O HIS B 85 2.054 16.265 0.191 1.00 0.00 O ATOM 2806 CB HIS B 85 2.808 14.884 -2.831 1.00 0.00 C ATOM 2807 CG HIS B 85 4.301 14.704 -2.858 1.00 0.00 C ATOM 2808 ND1 HIS B 85 5.174 15.780 -2.878 1.00 0.00 N ATOM 2809 CD2 HIS B 85 5.090 13.581 -2.871 1.00 0.00 C ATOM 2810 CE1 HIS B 85 6.426 15.286 -2.902 1.00 0.00 C ATOM 2811 NE2 HIS B 85 6.431 13.950 -2.898 1.00 0.00 N ATOM 0 H HIS B 85 0.369 14.622 -2.395 1.00 0.00 H new ATOM 0 HA HIS B 85 2.609 13.523 -1.167 1.00 0.00 H new ATOM 0 HB2 HIS B 85 2.341 14.252 -3.587 1.00 0.00 H new ATOM 0 HB3 HIS B 85 2.551 15.915 -3.074 1.00 0.00 H new ATOM 0 HD1 HIS B 85 4.915 16.767 -2.875 1.00 0.00 H new ATOM 0 HD2 HIS B 85 4.725 12.565 -2.862 1.00 0.00 H new ATOM 0 HE1 HIS B 85 7.318 15.895 -2.922 1.00 0.00 H new ATOM 2819 N GLU B 86 4.094 15.562 -0.227 1.00 0.00 N ATOM 2820 CA GLU B 86 4.683 16.516 0.755 1.00 0.00 C ATOM 2821 C GLU B 86 4.078 16.262 2.139 1.00 0.00 C ATOM 2822 O GLU B 86 4.056 17.131 2.987 1.00 0.00 O ATOM 2823 CB GLU B 86 4.384 17.955 0.309 1.00 0.00 C ATOM 2824 CG GLU B 86 5.368 18.925 0.973 1.00 0.00 C ATOM 2825 CD GLU B 86 5.135 20.338 0.434 1.00 0.00 C ATOM 2826 OE1 GLU B 86 4.773 20.456 -0.724 1.00 0.00 O ATOM 2827 OE2 GLU B 86 5.323 21.277 1.190 1.00 0.00 O ATOM 0 H GLU B 86 4.768 14.968 -0.710 1.00 0.00 H new ATOM 0 HA GLU B 86 5.762 16.372 0.805 1.00 0.00 H new ATOM 0 HB2 GLU B 86 4.461 18.032 -0.776 1.00 0.00 H new ATOM 0 HB3 GLU B 86 3.361 18.222 0.576 1.00 0.00 H new ATOM 0 HG2 GLU B 86 5.235 18.911 2.055 1.00 0.00 H new ATOM 0 HG3 GLU B 86 6.393 18.613 0.774 1.00 0.00 H new ATOM 2834 N PHE B 87 3.587 15.077 2.379 1.00 0.00 N ATOM 2835 CA PHE B 87 2.991 14.783 3.711 1.00 0.00 C ATOM 2836 C PHE B 87 4.084 14.840 4.780 1.00 0.00 C ATOM 2837 O PHE B 87 3.817 15.085 5.940 1.00 0.00 O ATOM 2838 CB PHE B 87 2.345 13.396 3.702 1.00 0.00 C ATOM 2839 CG PHE B 87 3.283 12.394 3.074 1.00 0.00 C ATOM 2840 CD1 PHE B 87 3.302 12.227 1.684 1.00 0.00 C ATOM 2841 CD2 PHE B 87 4.125 11.623 3.883 1.00 0.00 C ATOM 2842 CE1 PHE B 87 4.165 11.291 1.104 1.00 0.00 C ATOM 2843 CE2 PHE B 87 4.987 10.685 3.303 1.00 0.00 C ATOM 2844 CZ PHE B 87 5.007 10.519 1.913 1.00 0.00 C ATOM 0 H PHE B 87 3.573 14.304 1.714 1.00 0.00 H new ATOM 0 HA PHE B 87 2.225 15.526 3.934 1.00 0.00 H new ATOM 0 HB2 PHE B 87 2.103 13.092 4.720 1.00 0.00 H new ATOM 0 HB3 PHE B 87 1.407 13.426 3.147 1.00 0.00 H new ATOM 0 HD1 PHE B 87 2.651 12.821 1.060 1.00 0.00 H new ATOM 0 HD2 PHE B 87 4.110 11.752 4.955 1.00 0.00 H new ATOM 0 HE1 PHE B 87 4.182 11.164 0.032 1.00 0.00 H new ATOM 0 HE2 PHE B 87 5.636 10.090 3.928 1.00 0.00 H new ATOM 0 HZ PHE B 87 5.672 9.795 1.465 1.00 0.00 H new ATOM 2854 N PHE B 88 5.317 14.625 4.402 1.00 0.00 N ATOM 2855 CA PHE B 88 6.419 14.679 5.405 1.00 0.00 C ATOM 2856 C PHE B 88 6.313 15.986 6.191 1.00 0.00 C ATOM 2857 O PHE B 88 6.531 16.026 7.385 1.00 0.00 O ATOM 2858 CB PHE B 88 7.774 14.621 4.693 1.00 0.00 C ATOM 2859 CG PHE B 88 7.765 13.521 3.652 1.00 0.00 C ATOM 2860 CD1 PHE B 88 7.851 12.180 4.048 1.00 0.00 C ATOM 2861 CD2 PHE B 88 7.680 13.844 2.292 1.00 0.00 C ATOM 2862 CE1 PHE B 88 7.852 11.163 3.083 1.00 0.00 C ATOM 2863 CE2 PHE B 88 7.679 12.828 1.329 1.00 0.00 C ATOM 2864 CZ PHE B 88 7.766 11.488 1.724 1.00 0.00 C ATOM 0 H PHE B 88 5.607 14.415 3.447 1.00 0.00 H new ATOM 0 HA PHE B 88 6.336 13.830 6.083 1.00 0.00 H new ATOM 0 HB2 PHE B 88 7.987 15.579 4.219 1.00 0.00 H new ATOM 0 HB3 PHE B 88 8.568 14.441 5.418 1.00 0.00 H new ATOM 0 HD1 PHE B 88 7.917 11.930 5.097 1.00 0.00 H new ATOM 0 HD2 PHE B 88 7.615 14.878 1.986 1.00 0.00 H new ATOM 0 HE1 PHE B 88 7.919 10.129 3.388 1.00 0.00 H new ATOM 0 HE2 PHE B 88 7.611 13.078 0.281 1.00 0.00 H new ATOM 0 HZ PHE B 88 7.767 10.705 0.980 1.00 0.00 H new ATOM 2874 N GLU B 89 5.976 17.055 5.524 1.00 0.00 N ATOM 2875 CA GLU B 89 5.850 18.366 6.221 1.00 0.00 C ATOM 2876 C GLU B 89 4.449 18.490 6.822 1.00 0.00 C ATOM 2877 O GLU B 89 3.697 19.385 6.488 1.00 0.00 O ATOM 2878 CB GLU B 89 6.076 19.500 5.219 1.00 0.00 C ATOM 2879 CG GLU B 89 7.541 19.511 4.780 1.00 0.00 C ATOM 2880 CD GLU B 89 7.833 18.263 3.944 1.00 0.00 C ATOM 2881 OE1 GLU B 89 6.922 17.788 3.287 1.00 0.00 O ATOM 2882 OE2 GLU B 89 8.963 17.804 3.975 1.00 0.00 O ATOM 0 H GLU B 89 5.782 17.077 4.523 1.00 0.00 H new ATOM 0 HA GLU B 89 6.594 18.429 7.015 1.00 0.00 H new ATOM 0 HB2 GLU B 89 5.427 19.369 4.353 1.00 0.00 H new ATOM 0 HB3 GLU B 89 5.814 20.456 5.671 1.00 0.00 H new ATOM 0 HG2 GLU B 89 7.751 20.409 4.198 1.00 0.00 H new ATOM 0 HG3 GLU B 89 8.193 19.538 5.653 1.00 0.00 H new ATOM 2889 N HIS B 90 4.091 17.603 7.710 1.00 0.00 N ATOM 2890 CA HIS B 90 2.740 17.677 8.334 1.00 0.00 C ATOM 2891 C HIS B 90 2.685 18.878 9.280 1.00 0.00 C ATOM 2892 O HIS B 90 3.267 18.866 10.347 1.00 0.00 O ATOM 2893 CB HIS B 90 2.467 16.395 9.123 1.00 0.00 C ATOM 2894 CG HIS B 90 1.059 16.423 9.651 1.00 0.00 C ATOM 2895 ND1 HIS B 90 0.679 17.245 10.701 1.00 0.00 N ATOM 2896 CD2 HIS B 90 -0.073 15.738 9.283 1.00 0.00 C ATOM 2897 CE1 HIS B 90 -0.631 17.035 10.927 1.00 0.00 C ATOM 2898 NE2 HIS B 90 -1.139 16.126 10.090 1.00 0.00 N ATOM 0 H HIS B 90 4.676 16.831 8.030 1.00 0.00 H new ATOM 0 HA HIS B 90 1.986 17.789 7.555 1.00 0.00 H new ATOM 0 HB2 HIS B 90 2.610 15.524 8.483 1.00 0.00 H new ATOM 0 HB3 HIS B 90 3.174 16.305 9.947 1.00 0.00 H new ATOM 0 HD1 HIS B 90 1.282 17.891 11.210 1.00 0.00 H new ATOM 0 HD2 HIS B 90 -0.128 15.009 8.488 1.00 0.00 H new ATOM 0 HE1 HIS B 90 -1.202 17.540 11.692 1.00 0.00 H new ATOM 2906 N GLU B 91 1.992 19.915 8.900 1.00 0.00 N ATOM 2907 CA GLU B 91 1.904 21.112 9.781 1.00 0.00 C ATOM 2908 C GLU B 91 1.404 20.690 11.164 1.00 0.00 C ATOM 2909 O GLU B 91 0.809 19.630 11.259 1.00 0.00 O ATOM 2910 CB GLU B 91 0.930 22.123 9.171 1.00 0.00 C ATOM 2911 CG GLU B 91 -0.480 21.531 9.158 1.00 0.00 C ATOM 2912 CD GLU B 91 -1.381 22.376 8.256 1.00 0.00 C ATOM 2913 OE1 GLU B 91 -1.708 23.484 8.649 1.00 0.00 O ATOM 2914 OE2 GLU B 91 -1.727 21.902 7.187 1.00 0.00 O ATOM 2915 OXT GLU B 91 1.626 21.435 12.105 1.00 0.00 O ATOM 0 H GLU B 91 1.483 19.985 8.019 1.00 0.00 H new ATOM 0 HA GLU B 91 2.889 21.569 9.875 1.00 0.00 H new ATOM 0 HB2 GLU B 91 0.942 23.048 9.747 1.00 0.00 H new ATOM 0 HB3 GLU B 91 1.239 22.375 8.157 1.00 0.00 H new ATOM 0 HG2 GLU B 91 -0.450 20.502 8.799 1.00 0.00 H new ATOM 0 HG3 GLU B 91 -0.884 21.504 10.170 1.00 0.00 H new TER 2922 GLU B 91