USER MOD reduce.3.24.130724 H: found=0, std=0, add=1428, rem=0, adj=40 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: A 71 GLN : amide:sc= -1.3 K(o=-3.1,f=-1.3) USER MOD Set 1.2: B 82 THR OG1 : rot -78:sc= -1.76! USER MOD Set 2.1: B 55 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.035) USER MOD Set 2.2: B 79 MET CE :methyl -130:sc= -0.0172 (180deg=-0.301) USER MOD Set 3.1: B 28 LYS NZ :NH3+ 168:sc= 0.638 (180deg=0.535) USER MOD Set 3.2: B 30 SER OG : rot 180:sc= 0.0948 USER MOD Set 4.1: A 82 THR OG1 : rot -104:sc= -1.63! USER MOD Set 4.2: B 71 GLN : amide:sc= -1.44! K(o=-3.1!,f=-1.2) USER MOD Set 5.1: A 78 SER OG : rot -68:sc= 1.1 USER MOD Set 5.2: A 81 THR OG1 : rot 75:sc= -3.55! USER MOD Set 5.3: B 7 MET CE :methyl -152:sc= -10.3! (180deg=-12.1!) USER MOD Set 5.4: B 74 MET CE :methyl -122:sc= -8.28! (180deg=-11.3!) USER MOD Set 6.1: A 55 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0316) USER MOD Set 6.2: A 79 MET CE :methyl -130:sc= -0.022 (180deg=-0.295) USER MOD Set 7.1: A 7 MET CE :methyl -148:sc= -10.3! (180deg=-12.2!) USER MOD Set 7.2: A 74 MET CE :methyl -122:sc= -8.26! (180deg=-11.3!) USER MOD Set 7.3: B 78 SER OG : rot -71:sc= 1.19 USER MOD Set 7.4: B 81 THR OG1 : rot 70:sc= -3.7! USER MOD Set 8.1: A 28 LYS NZ :NH3+ 168:sc= 0.645 (180deg=0.533) USER MOD Set 8.2: A 30 SER OG : rot 180:sc= 0.133 USER MOD Single : A 0 MET CE :methyl -128:sc= 0 (180deg=-0.0183) USER MOD Single : A 0 MET N :NH3+ 175:sc= 0.295 (180deg=0.282) USER MOD Single : A 1 SER OG : rot 176:sc= -1.95! USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 16 GLN : amide:sc= -0.411 K(o=-0.41,f=-2.2!) USER MOD Single : A 17 TYR OH : rot 180:sc= -4.35! USER MOD Single : A 18 SER OG : rot 85:sc= 1.23 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HE2:sc= -2.6! C(o=-2.6!,f=-5.7!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.499 K(o=-0.5,f=-1.7) USER MOD Single : A 38 ASN : amide:sc= -4.03! K(o=-4!,f=-1.6) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.0656 X(o=-0.066,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc=-0.000296 K(o=-0.0003,f=-0.62) USER MOD Single : A 57 MET CE :methyl 156:sc= -0.52 (180deg=-2.5!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0769 USER MOD Single : A 68 CYS SG : rot -140:sc= -0.272 USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -4.36! C(o=-4.4!,f=-5.7!) USER MOD Single : A 90 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.019) USER MOD Single : B 0 MET CE :methyl -137:sc= 0 (180deg=-0.0252) USER MOD Single : B 0 MET N :NH3+ 174:sc= 0.291 (180deg=0.28) USER MOD Single : B 1 SER OG : rot 180:sc= -1.95! USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=-0.098) USER MOD Single : B 16 GLN : amide:sc= -0.308 K(o=-0.31,f=-2.1!) USER MOD Single : B 17 TYR OH : rot 180:sc= -4.44! USER MOD Single : B 18 SER OG : rot 85:sc= 1.22 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 HIS : no HE2:sc= -2.72! C(o=-2.7!,f=-5.6!) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 ASN : amide:sc= -0.544 K(o=-0.54,f=-1.6) USER MOD Single : B 38 ASN : amide:sc= -4.08! K(o=-4.1!,f=-1.5) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 HIS : no HD1:sc= -0.0632 X(o=-0.063,f=-0.005) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 GLN : amide:sc=-0.00999 K(o=-0.01,f=-0.64) USER MOD Single : B 57 MET CE :methyl 157:sc= -0.802 (180deg=-2.74!) USER MOD Single : B 59 THR OG1 : rot 94:sc= 0.111 USER MOD Single : B 68 CYS SG : rot -140:sc= -0.27 USER MOD Single : B 84 CYS SG : rot 180:sc= 0 USER MOD Single : B 85 HIS : no HD1:sc= -4.42! C(o=-4.4!,f=-5.7!) USER MOD Single : B 90 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.0011) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 9.984 5.405 -14.801 1.00 0.00 N ATOM 2 CA MET A 0 9.890 4.194 -15.666 1.00 0.00 C ATOM 3 C MET A 0 10.108 2.943 -14.815 1.00 0.00 C ATOM 4 O MET A 0 10.973 2.137 -15.092 1.00 0.00 O ATOM 5 CB MET A 0 10.962 4.261 -16.754 1.00 0.00 C ATOM 6 CG MET A 0 10.493 5.180 -17.883 1.00 0.00 C ATOM 7 SD MET A 0 10.521 4.274 -19.450 1.00 0.00 S ATOM 8 CE MET A 0 12.315 4.263 -19.676 1.00 0.00 C ATOM 0 H1 MET A 0 9.920 6.259 -15.391 1.00 0.00 H new ATOM 0 H2 MET A 0 9.205 5.401 -14.112 1.00 0.00 H new ATOM 0 H3 MET A 0 10.893 5.401 -14.295 1.00 0.00 H new ATOM 0 HA MET A 0 8.904 4.153 -16.128 1.00 0.00 H new ATOM 0 HB2 MET A 0 11.897 4.632 -16.334 1.00 0.00 H new ATOM 0 HB3 MET A 0 11.161 3.263 -17.144 1.00 0.00 H new ATOM 0 HG2 MET A 0 9.485 5.541 -17.677 1.00 0.00 H new ATOM 0 HG3 MET A 0 11.139 6.056 -17.945 1.00 0.00 H new ATOM 0 HE1 MET A 0 12.559 4.642 -20.669 1.00 0.00 H new ATOM 0 HE2 MET A 0 12.781 4.897 -18.921 1.00 0.00 H new ATOM 0 HE3 MET A 0 12.688 3.244 -19.575 1.00 0.00 H new ATOM 20 N SER A 1 9.331 2.773 -13.782 1.00 0.00 N ATOM 21 CA SER A 1 9.497 1.573 -12.916 1.00 0.00 C ATOM 22 C SER A 1 8.126 0.980 -12.589 1.00 0.00 C ATOM 23 O SER A 1 7.100 1.552 -12.897 1.00 0.00 O ATOM 24 CB SER A 1 10.200 1.971 -11.617 1.00 0.00 C ATOM 25 OG SER A 1 9.381 2.885 -10.902 1.00 0.00 O ATOM 0 H SER A 1 8.588 3.413 -13.500 1.00 0.00 H new ATOM 0 HA SER A 1 10.097 0.831 -13.443 1.00 0.00 H new ATOM 0 HB2 SER A 1 10.395 1.087 -11.010 1.00 0.00 H new ATOM 0 HB3 SER A 1 11.166 2.426 -11.837 1.00 0.00 H new ATOM 0 HG SER A 1 9.797 3.092 -10.039 1.00 0.00 H new ATOM 31 N GLU A 2 8.105 -0.164 -11.967 1.00 0.00 N ATOM 32 CA GLU A 2 6.806 -0.802 -11.614 1.00 0.00 C ATOM 33 C GLU A 2 6.245 -0.161 -10.343 1.00 0.00 C ATOM 34 O GLU A 2 5.051 -0.009 -10.187 1.00 0.00 O ATOM 35 CB GLU A 2 7.029 -2.293 -11.358 1.00 0.00 C ATOM 36 CG GLU A 2 7.681 -2.940 -12.577 1.00 0.00 C ATOM 37 CD GLU A 2 6.936 -2.517 -13.844 1.00 0.00 C ATOM 38 OE1 GLU A 2 5.735 -2.721 -13.898 1.00 0.00 O ATOM 39 OE2 GLU A 2 7.579 -1.996 -14.740 1.00 0.00 O ATOM 0 H GLU A 2 8.934 -0.687 -11.686 1.00 0.00 H new ATOM 0 HA GLU A 2 6.103 -0.664 -12.436 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.662 -2.429 -10.481 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.078 -2.780 -11.143 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.728 -2.643 -12.642 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.663 -4.025 -12.478 1.00 0.00 H new ATOM 46 N LEU A 3 7.101 0.196 -9.424 1.00 0.00 N ATOM 47 CA LEU A 3 6.624 0.805 -8.150 1.00 0.00 C ATOM 48 C LEU A 3 6.232 2.266 -8.371 1.00 0.00 C ATOM 49 O LEU A 3 5.178 2.703 -7.964 1.00 0.00 O ATOM 50 CB LEU A 3 7.748 0.741 -7.114 1.00 0.00 C ATOM 51 CG LEU A 3 7.150 0.746 -5.707 1.00 0.00 C ATOM 52 CD1 LEU A 3 6.616 -0.648 -5.378 1.00 0.00 C ATOM 53 CD2 LEU A 3 8.232 1.131 -4.696 1.00 0.00 C ATOM 0 H LEU A 3 8.113 0.092 -9.501 1.00 0.00 H new ATOM 0 HA LEU A 3 5.752 0.253 -7.798 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.343 -0.160 -7.264 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.419 1.591 -7.238 1.00 0.00 H new ATOM 0 HG LEU A 3 6.335 1.468 -5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.189 -0.647 -4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.847 -0.923 -6.100 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.431 -1.370 -5.424 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.807 1.135 -3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.047 0.408 -4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.614 2.124 -4.932 1.00 0.00 H new ATOM 65 N GLU A 4 7.075 3.031 -8.993 1.00 0.00 N ATOM 66 CA GLU A 4 6.746 4.466 -9.211 1.00 0.00 C ATOM 67 C GLU A 4 5.432 4.601 -9.989 1.00 0.00 C ATOM 68 O GLU A 4 4.652 5.498 -9.747 1.00 0.00 O ATOM 69 CB GLU A 4 7.873 5.128 -10.003 1.00 0.00 C ATOM 70 CG GLU A 4 7.440 6.528 -10.436 1.00 0.00 C ATOM 71 CD GLU A 4 7.215 6.546 -11.950 1.00 0.00 C ATOM 72 OE1 GLU A 4 7.751 5.678 -12.620 1.00 0.00 O ATOM 73 OE2 GLU A 4 6.512 7.427 -12.413 1.00 0.00 O ATOM 0 H GLU A 4 7.977 2.729 -9.361 1.00 0.00 H new ATOM 0 HA GLU A 4 6.634 4.954 -8.243 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.774 5.187 -9.393 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.119 4.526 -10.877 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.525 6.814 -9.918 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.202 7.257 -10.162 1.00 0.00 H new ATOM 80 N LYS A 5 5.183 3.736 -10.930 1.00 0.00 N ATOM 81 CA LYS A 5 3.923 3.845 -11.721 1.00 0.00 C ATOM 82 C LYS A 5 2.749 3.239 -10.945 1.00 0.00 C ATOM 83 O LYS A 5 1.727 3.870 -10.758 1.00 0.00 O ATOM 84 CB LYS A 5 4.091 3.106 -13.050 1.00 0.00 C ATOM 85 CG LYS A 5 4.747 4.035 -14.072 1.00 0.00 C ATOM 86 CD LYS A 5 5.624 3.216 -15.022 1.00 0.00 C ATOM 87 CE LYS A 5 4.952 3.134 -16.395 1.00 0.00 C ATOM 88 NZ LYS A 5 4.991 1.727 -16.884 1.00 0.00 N ATOM 0 H LYS A 5 5.793 2.960 -11.187 1.00 0.00 H new ATOM 0 HA LYS A 5 3.715 4.899 -11.907 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.703 2.215 -12.908 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.121 2.771 -13.417 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.982 4.569 -14.636 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.350 4.786 -13.561 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.608 3.677 -15.114 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.777 2.214 -14.620 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.920 3.478 -16.328 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.462 3.790 -17.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.535 1.671 -17.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.980 1.414 -16.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.486 1.112 -16.214 1.00 0.00 H new ATOM 102 N ALA A 6 2.877 2.018 -10.508 1.00 0.00 N ATOM 103 CA ALA A 6 1.760 1.367 -9.765 1.00 0.00 C ATOM 104 C ALA A 6 1.543 2.057 -8.413 1.00 0.00 C ATOM 105 O ALA A 6 0.468 2.537 -8.117 1.00 0.00 O ATOM 106 CB ALA A 6 2.102 -0.104 -9.531 1.00 0.00 C ATOM 0 H ALA A 6 3.708 1.440 -10.633 1.00 0.00 H new ATOM 0 HA ALA A 6 0.847 1.450 -10.354 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.288 -0.585 -8.988 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.242 -0.602 -10.490 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.020 -0.176 -8.948 1.00 0.00 H new ATOM 112 N MET A 7 2.552 2.096 -7.590 1.00 0.00 N ATOM 113 CA MET A 7 2.408 2.736 -6.252 1.00 0.00 C ATOM 114 C MET A 7 1.813 4.133 -6.400 1.00 0.00 C ATOM 115 O MET A 7 0.809 4.462 -5.799 1.00 0.00 O ATOM 116 CB MET A 7 3.785 2.848 -5.592 1.00 0.00 C ATOM 117 CG MET A 7 3.639 3.468 -4.202 1.00 0.00 C ATOM 118 SD MET A 7 2.426 2.529 -3.243 1.00 0.00 S ATOM 119 CE MET A 7 2.653 3.401 -1.673 1.00 0.00 C ATOM 0 H MET A 7 3.476 1.710 -7.787 1.00 0.00 H new ATOM 0 HA MET A 7 1.747 2.126 -5.637 1.00 0.00 H new ATOM 0 HB2 MET A 7 4.244 1.862 -5.515 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.445 3.460 -6.207 1.00 0.00 H new ATOM 0 HG2 MET A 7 4.601 3.468 -3.690 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.324 4.508 -4.288 1.00 0.00 H new ATOM 0 HE1 MET A 7 2.483 2.712 -0.846 1.00 0.00 H new ATOM 0 HE2 MET A 7 3.669 3.791 -1.617 1.00 0.00 H new ATOM 0 HE3 MET A 7 1.943 4.226 -1.609 1.00 0.00 H new ATOM 129 N VAL A 8 2.434 4.963 -7.184 1.00 0.00 N ATOM 130 CA VAL A 8 1.913 6.346 -7.355 1.00 0.00 C ATOM 131 C VAL A 8 0.503 6.302 -7.951 1.00 0.00 C ATOM 132 O VAL A 8 -0.315 7.158 -7.681 1.00 0.00 O ATOM 133 CB VAL A 8 2.847 7.134 -8.269 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.421 8.601 -8.282 1.00 0.00 C ATOM 135 CG2 VAL A 8 4.278 7.033 -7.736 1.00 0.00 C ATOM 0 H VAL A 8 3.278 4.746 -7.714 1.00 0.00 H new ATOM 0 HA VAL A 8 1.867 6.838 -6.383 1.00 0.00 H new ATOM 0 HB VAL A 8 2.799 6.727 -9.279 1.00 0.00 H new ATOM 0 HG11 VAL A 8 3.086 9.167 -8.934 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.398 8.680 -8.650 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.474 9.004 -7.271 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.949 7.595 -8.386 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.321 7.445 -6.728 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.585 5.987 -7.714 1.00 0.00 H new ATOM 145 N ALA A 9 0.202 5.311 -8.747 1.00 0.00 N ATOM 146 CA ALA A 9 -1.166 5.228 -9.338 1.00 0.00 C ATOM 147 C ALA A 9 -2.186 5.108 -8.208 1.00 0.00 C ATOM 148 O ALA A 9 -3.195 5.782 -8.196 1.00 0.00 O ATOM 149 CB ALA A 9 -1.268 4.002 -10.247 1.00 0.00 C ATOM 0 H ALA A 9 0.839 4.560 -9.012 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.364 6.124 -9.927 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.269 3.948 -10.675 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.535 4.082 -11.049 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.073 3.101 -9.666 1.00 0.00 H new ATOM 155 N LEU A 10 -1.926 4.259 -7.251 1.00 0.00 N ATOM 156 CA LEU A 10 -2.880 4.108 -6.121 1.00 0.00 C ATOM 157 C LEU A 10 -3.180 5.490 -5.546 1.00 0.00 C ATOM 158 O LEU A 10 -4.307 5.811 -5.226 1.00 0.00 O ATOM 159 CB LEU A 10 -2.259 3.224 -5.038 1.00 0.00 C ATOM 160 CG LEU A 10 -3.228 2.098 -4.681 1.00 0.00 C ATOM 161 CD1 LEU A 10 -2.440 0.882 -4.192 1.00 0.00 C ATOM 162 CD2 LEU A 10 -4.172 2.569 -3.573 1.00 0.00 C ATOM 0 H LEU A 10 -1.097 3.667 -7.205 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.801 3.644 -6.472 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.315 2.808 -5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.034 3.819 -4.153 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.808 1.826 -5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.131 0.079 -3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.766 0.545 -4.979 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.860 1.155 -3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.863 1.766 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.591 2.841 -2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.735 3.436 -3.919 1.00 0.00 H new ATOM 174 N ILE A 11 -2.180 6.321 -5.428 1.00 0.00 N ATOM 175 CA ILE A 11 -2.413 7.689 -4.890 1.00 0.00 C ATOM 176 C ILE A 11 -3.441 8.391 -5.778 1.00 0.00 C ATOM 177 O ILE A 11 -4.328 9.071 -5.304 1.00 0.00 O ATOM 178 CB ILE A 11 -1.095 8.474 -4.898 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.228 8.023 -3.719 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.378 9.974 -4.768 1.00 0.00 C ATOM 181 CD1 ILE A 11 -0.066 6.502 -3.752 1.00 0.00 C ATOM 0 H ILE A 11 -1.214 6.111 -5.681 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.784 7.633 -3.867 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.574 8.285 -5.836 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.749 8.504 -3.768 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.687 8.329 -2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.437 10.524 -4.775 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.995 10.302 -5.604 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.903 10.165 -3.832 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.551 6.184 -2.912 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.046 6.030 -3.682 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.412 6.207 -4.686 1.00 0.00 H new ATOM 193 N ASP A 12 -3.329 8.221 -7.068 1.00 0.00 N ATOM 194 CA ASP A 12 -4.298 8.867 -7.994 1.00 0.00 C ATOM 195 C ASP A 12 -5.717 8.495 -7.569 1.00 0.00 C ATOM 196 O ASP A 12 -6.561 9.346 -7.368 1.00 0.00 O ATOM 197 CB ASP A 12 -4.044 8.369 -9.417 1.00 0.00 C ATOM 198 CG ASP A 12 -4.729 9.303 -10.417 1.00 0.00 C ATOM 199 OD1 ASP A 12 -4.313 10.446 -10.509 1.00 0.00 O ATOM 200 OD2 ASP A 12 -5.658 8.859 -11.072 1.00 0.00 O ATOM 0 H ASP A 12 -2.606 7.661 -7.520 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.177 9.950 -7.962 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.973 8.331 -9.614 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.425 7.354 -9.532 1.00 0.00 H new ATOM 205 N VAL A 13 -5.985 7.228 -7.428 1.00 0.00 N ATOM 206 CA VAL A 13 -7.349 6.798 -7.012 1.00 0.00 C ATOM 207 C VAL A 13 -7.819 7.662 -5.844 1.00 0.00 C ATOM 208 O VAL A 13 -8.986 7.978 -5.725 1.00 0.00 O ATOM 209 CB VAL A 13 -7.319 5.338 -6.573 1.00 0.00 C ATOM 210 CG1 VAL A 13 -8.654 4.978 -5.931 1.00 0.00 C ATOM 211 CG2 VAL A 13 -7.098 4.446 -7.789 1.00 0.00 C ATOM 0 H VAL A 13 -5.319 6.471 -7.583 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.032 6.910 -7.854 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.510 5.191 -5.857 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.637 3.935 -5.616 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.825 5.616 -5.064 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.457 5.125 -6.654 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.076 3.402 -7.476 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.910 4.594 -8.501 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.150 4.703 -8.261 1.00 0.00 H new ATOM 221 N PHE A 14 -6.923 8.044 -4.977 1.00 0.00 N ATOM 222 CA PHE A 14 -7.327 8.887 -3.820 1.00 0.00 C ATOM 223 C PHE A 14 -7.929 10.193 -4.334 1.00 0.00 C ATOM 224 O PHE A 14 -9.003 10.593 -3.932 1.00 0.00 O ATOM 225 CB PHE A 14 -6.106 9.198 -2.953 1.00 0.00 C ATOM 226 CG PHE A 14 -6.568 9.668 -1.597 1.00 0.00 C ATOM 227 CD1 PHE A 14 -6.952 11.001 -1.410 1.00 0.00 C ATOM 228 CD2 PHE A 14 -6.621 8.771 -0.526 1.00 0.00 C ATOM 229 CE1 PHE A 14 -7.386 11.435 -0.153 1.00 0.00 C ATOM 230 CE2 PHE A 14 -7.055 9.204 0.732 1.00 0.00 C ATOM 231 CZ PHE A 14 -7.438 10.536 0.918 1.00 0.00 C ATOM 0 H PHE A 14 -5.931 7.809 -5.020 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.064 8.350 -3.223 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.482 8.310 -2.850 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.494 9.965 -3.428 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.913 11.695 -2.237 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.326 7.742 -0.670 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.681 12.464 -0.009 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.094 8.510 1.559 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.774 10.871 1.888 1.00 0.00 H new ATOM 241 N HIS A 15 -7.249 10.861 -5.225 1.00 0.00 N ATOM 242 CA HIS A 15 -7.790 12.138 -5.764 1.00 0.00 C ATOM 243 C HIS A 15 -8.881 11.835 -6.795 1.00 0.00 C ATOM 244 O HIS A 15 -9.457 12.728 -7.383 1.00 0.00 O ATOM 245 CB HIS A 15 -6.668 12.935 -6.429 1.00 0.00 C ATOM 246 CG HIS A 15 -6.957 14.403 -6.293 1.00 0.00 C ATOM 247 ND1 HIS A 15 -6.836 15.071 -5.085 1.00 0.00 N ATOM 248 CD2 HIS A 15 -7.372 15.344 -7.202 1.00 0.00 C ATOM 249 CE1 HIS A 15 -7.171 16.356 -5.296 1.00 0.00 C ATOM 250 NE2 HIS A 15 -7.507 16.577 -6.570 1.00 0.00 N ATOM 0 H HIS A 15 -6.344 10.578 -5.602 1.00 0.00 H new ATOM 0 HA HIS A 15 -8.212 12.723 -4.947 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -5.711 12.696 -5.965 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -6.588 12.664 -7.482 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -7.564 15.156 -8.248 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -7.169 17.117 -4.529 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -7.800 17.460 -6.989 1.00 0.00 H new ATOM 258 N GLN A 16 -9.179 10.582 -7.008 1.00 0.00 N ATOM 259 CA GLN A 16 -10.239 10.226 -7.988 1.00 0.00 C ATOM 260 C GLN A 16 -11.597 10.496 -7.348 1.00 0.00 C ATOM 261 O GLN A 16 -12.436 11.176 -7.903 1.00 0.00 O ATOM 262 CB GLN A 16 -10.129 8.744 -8.351 1.00 0.00 C ATOM 263 CG GLN A 16 -10.575 8.538 -9.800 1.00 0.00 C ATOM 264 CD GLN A 16 -9.356 8.586 -10.722 1.00 0.00 C ATOM 265 OE1 GLN A 16 -8.238 8.414 -10.278 1.00 0.00 O ATOM 266 NE2 GLN A 16 -9.525 8.814 -11.996 1.00 0.00 N ATOM 0 H GLN A 16 -8.733 9.791 -6.544 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.125 10.821 -8.894 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -9.102 8.403 -8.224 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.748 8.148 -7.681 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.084 7.579 -9.902 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -11.290 9.310 -10.085 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.464 8.958 -12.368 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.718 8.848 -12.619 1.00 0.00 H new ATOM 275 N TYR A 17 -11.811 9.979 -6.169 1.00 0.00 N ATOM 276 CA TYR A 17 -13.103 10.218 -5.479 1.00 0.00 C ATOM 277 C TYR A 17 -12.847 10.516 -4.001 1.00 0.00 C ATOM 278 O TYR A 17 -13.210 9.752 -3.129 1.00 0.00 O ATOM 279 CB TYR A 17 -14.012 8.992 -5.610 1.00 0.00 C ATOM 280 CG TYR A 17 -13.203 7.724 -5.788 1.00 0.00 C ATOM 281 CD1 TYR A 17 -12.158 7.411 -4.907 1.00 0.00 C ATOM 282 CD2 TYR A 17 -13.525 6.842 -6.830 1.00 0.00 C ATOM 283 CE1 TYR A 17 -11.439 6.219 -5.072 1.00 0.00 C ATOM 284 CE2 TYR A 17 -12.803 5.656 -6.994 1.00 0.00 C ATOM 285 CZ TYR A 17 -11.762 5.343 -6.116 1.00 0.00 C ATOM 286 OH TYR A 17 -11.057 4.170 -6.278 1.00 0.00 O ATOM 0 H TYR A 17 -11.145 9.402 -5.656 1.00 0.00 H new ATOM 0 HA TYR A 17 -13.598 11.072 -5.942 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -14.639 8.905 -4.722 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -14.681 9.122 -6.461 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -11.908 8.087 -4.103 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -14.332 7.079 -7.507 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -10.635 5.976 -4.393 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -13.050 4.981 -7.800 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.411 3.679 -7.049 1.00 0.00 H new ATOM 296 N SER A 18 -12.227 11.629 -3.712 1.00 0.00 N ATOM 297 CA SER A 18 -11.949 11.988 -2.292 1.00 0.00 C ATOM 298 C SER A 18 -12.491 13.392 -2.018 1.00 0.00 C ATOM 299 O SER A 18 -12.982 13.682 -0.946 1.00 0.00 O ATOM 300 CB SER A 18 -10.440 11.969 -2.041 1.00 0.00 C ATOM 301 OG SER A 18 -10.153 12.675 -0.838 1.00 0.00 O ATOM 0 H SER A 18 -11.900 12.307 -4.401 1.00 0.00 H new ATOM 0 HA SER A 18 -12.432 11.268 -1.632 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.085 10.941 -1.966 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.915 12.427 -2.879 1.00 0.00 H new ATOM 0 HG SER A 18 -10.255 12.072 -0.072 1.00 0.00 H new ATOM 307 N GLY A 19 -12.407 14.265 -2.984 1.00 0.00 N ATOM 308 CA GLY A 19 -12.916 15.649 -2.787 1.00 0.00 C ATOM 309 C GLY A 19 -14.330 15.761 -3.359 1.00 0.00 C ATOM 310 O GLY A 19 -15.071 16.668 -3.033 1.00 0.00 O ATOM 0 H GLY A 19 -12.006 14.078 -3.903 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.921 15.898 -1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.256 16.364 -3.279 1.00 0.00 H new ATOM 314 N ARG A 20 -14.710 14.848 -4.212 1.00 0.00 N ATOM 315 CA ARG A 20 -16.077 14.903 -4.804 1.00 0.00 C ATOM 316 C ARG A 20 -17.091 14.389 -3.783 1.00 0.00 C ATOM 317 O ARG A 20 -18.128 14.980 -3.571 1.00 0.00 O ATOM 318 CB ARG A 20 -16.130 14.027 -6.059 1.00 0.00 C ATOM 319 CG ARG A 20 -15.260 14.646 -7.154 1.00 0.00 C ATOM 320 CD ARG A 20 -15.229 13.717 -8.370 1.00 0.00 C ATOM 321 NE ARG A 20 -16.478 13.892 -9.164 1.00 0.00 N ATOM 322 CZ ARG A 20 -16.439 14.493 -10.323 1.00 0.00 C ATOM 323 NH1 ARG A 20 -15.973 13.867 -11.369 1.00 0.00 N ATOM 324 NH2 ARG A 20 -16.868 15.720 -10.433 1.00 0.00 N ATOM 0 H ARG A 20 -14.133 14.067 -4.524 1.00 0.00 H new ATOM 0 HA ARG A 20 -16.315 15.932 -5.072 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -15.780 13.021 -5.828 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -17.159 13.934 -6.407 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.655 15.621 -7.439 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.249 14.808 -6.781 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.359 13.939 -8.988 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.134 12.681 -8.046 1.00 0.00 H new ATOM 0 HE ARG A 20 -17.365 13.542 -8.802 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.639 12.907 -11.282 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -15.943 14.337 -12.274 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -17.233 16.208 -9.615 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.839 16.191 -11.337 1.00 0.00 H new ATOM 338 N GLU A 21 -16.794 13.291 -3.151 1.00 0.00 N ATOM 339 CA GLU A 21 -17.735 12.733 -2.139 1.00 0.00 C ATOM 340 C GLU A 21 -17.549 13.475 -0.814 1.00 0.00 C ATOM 341 O GLU A 21 -18.374 14.273 -0.418 1.00 0.00 O ATOM 342 CB GLU A 21 -17.448 11.244 -1.938 1.00 0.00 C ATOM 343 CG GLU A 21 -18.762 10.496 -1.717 1.00 0.00 C ATOM 344 CD GLU A 21 -18.622 9.059 -2.219 1.00 0.00 C ATOM 345 OE1 GLU A 21 -18.854 8.837 -3.396 1.00 0.00 O ATOM 346 OE2 GLU A 21 -18.282 8.203 -1.418 1.00 0.00 O ATOM 0 H GLU A 21 -15.939 12.753 -3.291 1.00 0.00 H new ATOM 0 HA GLU A 21 -18.761 12.857 -2.486 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.931 10.842 -2.809 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.788 11.102 -1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.021 10.499 -0.658 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -19.572 10.999 -2.244 1.00 0.00 H new ATOM 353 N GLY A 22 -16.468 13.221 -0.128 1.00 0.00 N ATOM 354 CA GLY A 22 -16.226 13.915 1.168 1.00 0.00 C ATOM 355 C GLY A 22 -15.867 15.376 0.900 1.00 0.00 C ATOM 356 O GLY A 22 -16.573 16.079 0.206 1.00 0.00 O ATOM 0 H GLY A 22 -15.742 12.562 -0.410 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -17.115 13.856 1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.419 13.424 1.711 1.00 0.00 H new ATOM 360 N ASP A 23 -14.773 15.840 1.439 1.00 0.00 N ATOM 361 CA ASP A 23 -14.371 17.255 1.208 1.00 0.00 C ATOM 362 C ASP A 23 -13.077 17.291 0.393 1.00 0.00 C ATOM 363 O ASP A 23 -13.033 17.831 -0.693 1.00 0.00 O ATOM 364 CB ASP A 23 -14.146 17.951 2.552 1.00 0.00 C ATOM 365 CG ASP A 23 -14.276 19.464 2.372 1.00 0.00 C ATOM 366 OD1 ASP A 23 -14.681 19.880 1.299 1.00 0.00 O ATOM 367 OD2 ASP A 23 -13.968 20.182 3.311 1.00 0.00 O ATOM 0 H ASP A 23 -14.140 15.300 2.029 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.161 17.770 0.661 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -14.873 17.597 3.283 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.158 17.704 2.940 1.00 0.00 H new ATOM 372 N LYS A 24 -12.023 16.719 0.910 1.00 0.00 N ATOM 373 CA LYS A 24 -10.731 16.721 0.166 1.00 0.00 C ATOM 374 C LYS A 24 -9.602 16.298 1.110 1.00 0.00 C ATOM 375 O LYS A 24 -9.613 16.616 2.282 1.00 0.00 O ATOM 376 CB LYS A 24 -10.460 18.133 -0.369 1.00 0.00 C ATOM 377 CG LYS A 24 -8.986 18.273 -0.754 1.00 0.00 C ATOM 378 CD LYS A 24 -8.824 19.453 -1.712 1.00 0.00 C ATOM 379 CE LYS A 24 -8.960 20.762 -0.933 1.00 0.00 C ATOM 380 NZ LYS A 24 -8.950 21.908 -1.884 1.00 0.00 N ATOM 0 H LYS A 24 -12.001 16.250 1.816 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.783 16.022 -0.668 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.091 18.330 -1.236 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.719 18.873 0.388 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.378 18.428 0.138 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.633 17.356 -1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.851 19.408 -2.201 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.578 19.404 -2.497 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.886 20.761 -0.358 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.142 20.860 -0.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.042 22.799 -1.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.055 21.911 -2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.745 21.815 -2.548 1.00 0.00 H new ATOM 394 N HIS A 25 -8.625 15.588 0.607 1.00 0.00 N ATOM 395 CA HIS A 25 -7.491 15.149 1.470 1.00 0.00 C ATOM 396 C HIS A 25 -8.003 14.181 2.546 1.00 0.00 C ATOM 397 O HIS A 25 -7.310 13.856 3.490 1.00 0.00 O ATOM 398 CB HIS A 25 -6.842 16.388 2.109 1.00 0.00 C ATOM 399 CG HIS A 25 -6.019 16.001 3.309 1.00 0.00 C ATOM 400 ND1 HIS A 25 -6.534 16.029 4.596 1.00 0.00 N ATOM 401 CD2 HIS A 25 -4.718 15.582 3.436 1.00 0.00 C ATOM 402 CE1 HIS A 25 -5.555 15.638 5.434 1.00 0.00 C ATOM 403 NE2 HIS A 25 -4.427 15.354 4.777 1.00 0.00 N ATOM 0 H HIS A 25 -8.565 15.293 -0.368 1.00 0.00 H new ATOM 0 HA HIS A 25 -6.744 14.627 0.872 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.211 16.892 1.377 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.615 17.097 2.406 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -7.482 16.297 4.860 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.025 15.449 2.618 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -5.668 15.563 6.505 1.00 0.00 H new ATOM 411 N LYS A 26 -9.209 13.697 2.409 1.00 0.00 N ATOM 412 CA LYS A 26 -9.735 12.744 3.428 1.00 0.00 C ATOM 413 C LYS A 26 -10.528 11.631 2.740 1.00 0.00 C ATOM 414 O LYS A 26 -10.835 11.701 1.567 1.00 0.00 O ATOM 415 CB LYS A 26 -10.645 13.485 4.411 1.00 0.00 C ATOM 416 CG LYS A 26 -10.151 14.922 4.581 1.00 0.00 C ATOM 417 CD LYS A 26 -10.646 15.483 5.917 1.00 0.00 C ATOM 418 CE LYS A 26 -10.576 17.010 5.886 1.00 0.00 C ATOM 419 NZ LYS A 26 -11.721 17.574 6.653 1.00 0.00 N ATOM 0 H LYS A 26 -9.846 13.918 1.644 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.896 12.307 3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.672 13.483 4.045 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.650 12.975 5.374 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.062 14.949 4.545 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.512 15.541 3.759 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.670 15.159 6.103 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.036 15.097 6.734 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.634 17.350 6.315 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.604 17.365 4.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.674 18.613 6.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.615 17.259 6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.675 17.245 7.638 1.00 0.00 H new ATOM 433 N LEU A 27 -10.863 10.603 3.472 1.00 0.00 N ATOM 434 CA LEU A 27 -11.637 9.477 2.880 1.00 0.00 C ATOM 435 C LEU A 27 -12.809 9.136 3.802 1.00 0.00 C ATOM 436 O LEU A 27 -13.156 9.896 4.684 1.00 0.00 O ATOM 437 CB LEU A 27 -10.730 8.253 2.737 1.00 0.00 C ATOM 438 CG LEU A 27 -10.498 7.956 1.255 1.00 0.00 C ATOM 439 CD1 LEU A 27 -11.795 7.442 0.628 1.00 0.00 C ATOM 440 CD2 LEU A 27 -10.060 9.236 0.544 1.00 0.00 C ATOM 0 H LEU A 27 -10.632 10.495 4.460 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.012 9.766 1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.778 8.434 3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.186 7.391 3.224 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.721 7.198 1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.630 7.230 -0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.108 6.530 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.573 8.199 0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.894 9.027 -0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.837 9.993 0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.136 9.602 0.991 1.00 0.00 H new ATOM 452 N LYS A 28 -13.421 8.000 3.609 1.00 0.00 N ATOM 453 CA LYS A 28 -14.567 7.620 4.477 1.00 0.00 C ATOM 454 C LYS A 28 -14.636 6.098 4.606 1.00 0.00 C ATOM 455 O LYS A 28 -13.953 5.375 3.908 1.00 0.00 O ATOM 456 CB LYS A 28 -15.862 8.135 3.855 1.00 0.00 C ATOM 457 CG LYS A 28 -16.657 8.900 4.910 1.00 0.00 C ATOM 458 CD LYS A 28 -17.848 9.595 4.250 1.00 0.00 C ATOM 459 CE LYS A 28 -18.975 9.754 5.271 1.00 0.00 C ATOM 460 NZ LYS A 28 -20.071 8.798 4.951 1.00 0.00 N ATOM 0 H LYS A 28 -13.176 7.321 2.889 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.433 8.059 5.466 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.639 8.785 3.008 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.451 7.302 3.471 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -17.005 8.216 5.684 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.018 9.636 5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.548 10.571 3.869 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.195 9.013 3.397 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.598 9.569 6.277 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -19.353 10.776 5.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -20.739 8.757 5.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -20.570 9.116 4.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -19.670 7.853 4.787 1.00 0.00 H new ATOM 474 N LYS A 29 -15.457 5.607 5.492 1.00 0.00 N ATOM 475 CA LYS A 29 -15.571 4.133 5.661 1.00 0.00 C ATOM 476 C LYS A 29 -16.463 3.565 4.558 1.00 0.00 C ATOM 477 O LYS A 29 -16.354 2.414 4.189 1.00 0.00 O ATOM 478 CB LYS A 29 -16.182 3.820 7.027 1.00 0.00 C ATOM 479 CG LYS A 29 -15.460 4.628 8.106 1.00 0.00 C ATOM 480 CD LYS A 29 -13.956 4.380 8.002 1.00 0.00 C ATOM 481 CE LYS A 29 -13.303 4.608 9.365 1.00 0.00 C ATOM 482 NZ LYS A 29 -12.445 3.439 9.705 1.00 0.00 N ATOM 0 H LYS A 29 -16.053 6.163 6.105 1.00 0.00 H new ATOM 0 HA LYS A 29 -14.581 3.681 5.598 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -17.245 4.063 7.026 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -16.099 2.754 7.239 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.674 5.690 7.985 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -15.820 4.340 9.094 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.768 3.361 7.663 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.517 5.048 7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.705 5.519 9.346 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.068 4.745 10.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.000 3.593 10.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.028 2.579 9.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.707 3.328 8.981 1.00 0.00 H new ATOM 496 N SER A 30 -17.347 4.365 4.028 1.00 0.00 N ATOM 497 CA SER A 30 -18.247 3.874 2.945 1.00 0.00 C ATOM 498 C SER A 30 -17.496 3.886 1.612 1.00 0.00 C ATOM 499 O SER A 30 -17.645 2.997 0.797 1.00 0.00 O ATOM 500 CB SER A 30 -19.472 4.784 2.848 1.00 0.00 C ATOM 501 OG SER A 30 -19.112 6.099 3.252 1.00 0.00 O ATOM 0 H SER A 30 -17.485 5.339 4.298 1.00 0.00 H new ATOM 0 HA SER A 30 -18.567 2.857 3.172 1.00 0.00 H new ATOM 0 HB2 SER A 30 -19.851 4.796 1.826 1.00 0.00 H new ATOM 0 HB3 SER A 30 -20.274 4.403 3.481 1.00 0.00 H new ATOM 0 HG SER A 30 -19.894 6.686 3.190 1.00 0.00 H new ATOM 507 N GLU A 31 -16.680 4.878 1.388 1.00 0.00 N ATOM 508 CA GLU A 31 -15.912 4.933 0.117 1.00 0.00 C ATOM 509 C GLU A 31 -14.663 4.074 0.279 1.00 0.00 C ATOM 510 O GLU A 31 -14.065 3.637 -0.680 1.00 0.00 O ATOM 511 CB GLU A 31 -15.516 6.380 -0.183 1.00 0.00 C ATOM 512 CG GLU A 31 -15.067 6.494 -1.642 1.00 0.00 C ATOM 513 CD GLU A 31 -14.090 7.661 -1.783 1.00 0.00 C ATOM 514 OE1 GLU A 31 -14.438 8.753 -1.366 1.00 0.00 O ATOM 515 OE2 GLU A 31 -13.011 7.443 -2.309 1.00 0.00 O ATOM 0 H GLU A 31 -16.513 5.652 2.031 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.518 4.560 -0.709 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -16.360 7.045 0.002 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.711 6.693 0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.591 5.567 -1.961 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -15.931 6.648 -2.289 1.00 0.00 H new ATOM 522 N LEU A 32 -14.280 3.815 1.498 1.00 0.00 N ATOM 523 CA LEU A 32 -13.091 2.959 1.741 1.00 0.00 C ATOM 524 C LEU A 32 -13.528 1.502 1.610 1.00 0.00 C ATOM 525 O LEU A 32 -12.820 0.670 1.086 1.00 0.00 O ATOM 526 CB LEU A 32 -12.553 3.211 3.151 1.00 0.00 C ATOM 527 CG LEU A 32 -11.532 2.132 3.510 1.00 0.00 C ATOM 528 CD1 LEU A 32 -10.404 2.134 2.479 1.00 0.00 C ATOM 529 CD2 LEU A 32 -10.955 2.418 4.899 1.00 0.00 C ATOM 0 H LEU A 32 -14.743 4.162 2.338 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.304 3.187 1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.090 4.196 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.372 3.205 3.870 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.019 1.157 3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.676 1.364 2.735 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.815 1.930 1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.916 3.109 2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.227 1.649 5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.468 3.393 4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.759 2.416 5.635 1.00 0.00 H new ATOM 541 N LYS A 33 -14.709 1.201 2.077 1.00 0.00 N ATOM 542 CA LYS A 33 -15.230 -0.190 1.985 1.00 0.00 C ATOM 543 C LYS A 33 -15.404 -0.561 0.517 1.00 0.00 C ATOM 544 O LYS A 33 -15.204 -1.691 0.119 1.00 0.00 O ATOM 545 CB LYS A 33 -16.585 -0.257 2.688 1.00 0.00 C ATOM 546 CG LYS A 33 -16.794 -1.655 3.268 1.00 0.00 C ATOM 547 CD LYS A 33 -18.284 -1.881 3.530 1.00 0.00 C ATOM 548 CE LYS A 33 -18.547 -3.376 3.718 1.00 0.00 C ATOM 549 NZ LYS A 33 -19.159 -3.608 5.057 1.00 0.00 N ATOM 0 H LYS A 33 -15.340 1.867 2.522 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.533 -0.883 2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -16.631 0.488 3.483 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -17.383 -0.021 1.984 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.417 -2.408 2.575 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -16.230 -1.764 4.195 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.596 -1.331 4.418 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -18.873 -1.499 2.696 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.211 -3.741 2.935 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -17.615 -3.934 3.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -19.338 -4.624 5.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -18.510 -3.274 5.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -20.057 -3.087 5.123 1.00 0.00 H new ATOM 563 N GLU A 34 -15.765 0.390 -0.293 1.00 0.00 N ATOM 564 CA GLU A 34 -15.945 0.111 -1.740 1.00 0.00 C ATOM 565 C GLU A 34 -14.570 0.110 -2.396 1.00 0.00 C ATOM 566 O GLU A 34 -14.244 -0.726 -3.215 1.00 0.00 O ATOM 567 CB GLU A 34 -16.835 1.204 -2.354 1.00 0.00 C ATOM 568 CG GLU A 34 -16.008 2.445 -2.705 1.00 0.00 C ATOM 569 CD GLU A 34 -16.868 3.417 -3.512 1.00 0.00 C ATOM 570 OE1 GLU A 34 -17.787 2.957 -4.170 1.00 0.00 O ATOM 571 OE2 GLU A 34 -16.595 4.603 -3.457 1.00 0.00 O ATOM 0 H GLU A 34 -15.944 1.354 -0.013 1.00 0.00 H new ATOM 0 HA GLU A 34 -16.424 -0.856 -1.896 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -17.323 0.821 -3.250 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -17.624 1.474 -1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.651 2.927 -1.795 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.127 2.158 -3.280 1.00 0.00 H new ATOM 578 N LEU A 35 -13.761 1.047 -2.017 1.00 0.00 N ATOM 579 CA LEU A 35 -12.395 1.143 -2.580 1.00 0.00 C ATOM 580 C LEU A 35 -11.760 -0.247 -2.602 1.00 0.00 C ATOM 581 O LEU A 35 -11.248 -0.694 -3.610 1.00 0.00 O ATOM 582 CB LEU A 35 -11.566 2.078 -1.696 1.00 0.00 C ATOM 583 CG LEU A 35 -10.806 3.066 -2.576 1.00 0.00 C ATOM 584 CD1 LEU A 35 -10.015 2.298 -3.635 1.00 0.00 C ATOM 585 CD2 LEU A 35 -11.803 4.000 -3.261 1.00 0.00 C ATOM 0 H LEU A 35 -13.992 1.764 -1.329 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.432 1.535 -3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.216 2.615 -1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.867 1.500 -1.092 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.119 3.651 -1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.471 3.002 -4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.308 1.628 -3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.701 1.716 -4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.265 4.708 -3.891 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.487 3.415 -3.876 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.370 4.545 -2.506 1.00 0.00 H new ATOM 597 N ILE A 36 -11.792 -0.932 -1.497 1.00 0.00 N ATOM 598 CA ILE A 36 -11.186 -2.292 -1.447 1.00 0.00 C ATOM 599 C ILE A 36 -12.134 -3.308 -2.083 1.00 0.00 C ATOM 600 O ILE A 36 -11.744 -4.100 -2.918 1.00 0.00 O ATOM 601 CB ILE A 36 -10.933 -2.698 0.007 1.00 0.00 C ATOM 602 CG1 ILE A 36 -10.729 -1.441 0.870 1.00 0.00 C ATOM 603 CG2 ILE A 36 -9.693 -3.591 0.070 1.00 0.00 C ATOM 604 CD1 ILE A 36 -9.918 -1.781 2.127 1.00 0.00 C ATOM 0 H ILE A 36 -12.211 -0.611 -0.624 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.243 -2.273 -1.994 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.792 -3.248 0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.212 -0.675 0.292 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.696 -1.027 1.155 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.507 -3.884 1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.855 -4.482 -0.536 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.831 -3.044 -0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.782 -0.881 2.727 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.451 -2.530 2.712 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.944 -2.173 1.836 1.00 0.00 H new ATOM 616 N ASN A 37 -13.374 -3.301 -1.684 1.00 0.00 N ATOM 617 CA ASN A 37 -14.342 -4.277 -2.252 1.00 0.00 C ATOM 618 C ASN A 37 -14.688 -3.896 -3.693 1.00 0.00 C ATOM 619 O ASN A 37 -14.338 -4.582 -4.627 1.00 0.00 O ATOM 620 CB ASN A 37 -15.616 -4.279 -1.407 1.00 0.00 C ATOM 621 CG ASN A 37 -16.460 -5.503 -1.761 1.00 0.00 C ATOM 622 OD1 ASN A 37 -16.998 -5.592 -2.847 1.00 0.00 O ATOM 623 ND2 ASN A 37 -16.599 -6.460 -0.885 1.00 0.00 N ATOM 0 H ASN A 37 -13.759 -2.661 -0.989 1.00 0.00 H new ATOM 0 HA ASN A 37 -13.893 -5.270 -2.244 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.362 -4.293 -0.347 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.185 -3.367 -1.586 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -17.159 -7.282 -1.112 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.148 -6.386 0.027 1.00 0.00 H new ATOM 630 N ASN A 38 -15.376 -2.810 -3.883 1.00 0.00 N ATOM 631 CA ASN A 38 -15.746 -2.406 -5.269 1.00 0.00 C ATOM 632 C ASN A 38 -14.548 -2.575 -6.211 1.00 0.00 C ATOM 633 O ASN A 38 -14.712 -2.693 -7.410 1.00 0.00 O ATOM 634 CB ASN A 38 -16.196 -0.943 -5.277 1.00 0.00 C ATOM 635 CG ASN A 38 -16.447 -0.497 -6.719 1.00 0.00 C ATOM 636 OD1 ASN A 38 -17.577 -0.315 -7.123 1.00 0.00 O ATOM 637 ND2 ASN A 38 -15.431 -0.310 -7.515 1.00 0.00 N ATOM 0 H ASN A 38 -15.699 -2.185 -3.144 1.00 0.00 H new ATOM 0 HA ASN A 38 -16.561 -3.043 -5.613 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -17.104 -0.827 -4.685 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.434 -0.314 -4.817 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -15.586 -0.011 -8.478 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -14.482 -0.463 -7.175 1.00 0.00 H new ATOM 644 N GLU A 39 -13.343 -2.568 -5.698 1.00 0.00 N ATOM 645 CA GLU A 39 -12.164 -2.706 -6.601 1.00 0.00 C ATOM 646 C GLU A 39 -11.479 -4.074 -6.438 1.00 0.00 C ATOM 647 O GLU A 39 -11.599 -4.937 -7.285 1.00 0.00 O ATOM 648 CB GLU A 39 -11.163 -1.594 -6.284 1.00 0.00 C ATOM 649 CG GLU A 39 -11.892 -0.250 -6.260 1.00 0.00 C ATOM 650 CD GLU A 39 -12.012 0.290 -7.686 1.00 0.00 C ATOM 651 OE1 GLU A 39 -11.056 0.156 -8.432 1.00 0.00 O ATOM 652 OE2 GLU A 39 -13.059 0.827 -8.010 1.00 0.00 O ATOM 0 H GLU A 39 -13.128 -2.474 -4.705 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.511 -2.628 -7.631 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.688 -1.780 -5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.371 -1.578 -7.032 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.882 -0.369 -5.820 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.349 0.459 -5.635 1.00 0.00 H new ATOM 659 N LEU A 40 -10.726 -4.265 -5.386 1.00 0.00 N ATOM 660 CA LEU A 40 -9.996 -5.555 -5.206 1.00 0.00 C ATOM 661 C LEU A 40 -10.953 -6.730 -4.973 1.00 0.00 C ATOM 662 O LEU A 40 -10.553 -7.875 -5.029 1.00 0.00 O ATOM 663 CB LEU A 40 -9.045 -5.418 -4.014 1.00 0.00 C ATOM 664 CG LEU A 40 -8.241 -4.114 -4.128 1.00 0.00 C ATOM 665 CD1 LEU A 40 -6.937 -4.253 -3.343 1.00 0.00 C ATOM 666 CD2 LEU A 40 -7.907 -3.819 -5.595 1.00 0.00 C ATOM 0 H LEU A 40 -10.585 -3.582 -4.642 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.441 -5.766 -6.120 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.612 -5.424 -3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.367 -6.271 -3.980 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.840 -3.297 -3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.364 -3.329 -3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.162 -4.452 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.353 -5.078 -3.751 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.337 -2.892 -5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.316 -4.638 -6.005 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.830 -3.717 -6.165 1.00 0.00 H new ATOM 678 N SER A 41 -12.203 -6.478 -4.711 1.00 0.00 N ATOM 679 CA SER A 41 -13.148 -7.613 -4.481 1.00 0.00 C ATOM 680 C SER A 41 -13.126 -8.562 -5.683 1.00 0.00 C ATOM 681 O SER A 41 -13.171 -9.766 -5.533 1.00 0.00 O ATOM 682 CB SER A 41 -14.569 -7.086 -4.298 1.00 0.00 C ATOM 683 OG SER A 41 -15.453 -8.180 -4.100 1.00 0.00 O ATOM 0 H SER A 41 -12.612 -5.546 -4.646 1.00 0.00 H new ATOM 0 HA SER A 41 -12.836 -8.145 -3.582 1.00 0.00 H new ATOM 0 HB2 SER A 41 -14.611 -6.410 -3.444 1.00 0.00 H new ATOM 0 HB3 SER A 41 -14.872 -6.512 -5.174 1.00 0.00 H new ATOM 0 HG SER A 41 -16.366 -7.845 -3.981 1.00 0.00 H new ATOM 689 N HIS A 42 -13.072 -8.034 -6.875 1.00 0.00 N ATOM 690 CA HIS A 42 -13.060 -8.913 -8.080 1.00 0.00 C ATOM 691 C HIS A 42 -11.827 -9.818 -8.049 1.00 0.00 C ATOM 692 O HIS A 42 -11.830 -10.905 -8.590 1.00 0.00 O ATOM 693 CB HIS A 42 -13.022 -8.049 -9.342 1.00 0.00 C ATOM 694 CG HIS A 42 -14.406 -7.933 -9.917 1.00 0.00 C ATOM 695 ND1 HIS A 42 -14.637 -7.888 -11.283 1.00 0.00 N ATOM 696 CD2 HIS A 42 -15.642 -7.852 -9.326 1.00 0.00 C ATOM 697 CE1 HIS A 42 -15.966 -7.784 -11.467 1.00 0.00 C ATOM 698 NE2 HIS A 42 -16.625 -7.759 -10.307 1.00 0.00 N ATOM 0 H HIS A 42 -13.036 -7.033 -7.067 1.00 0.00 H new ATOM 0 HA HIS A 42 -13.960 -9.528 -8.084 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -12.632 -7.059 -9.105 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -12.348 -8.490 -10.076 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -15.824 -7.859 -8.262 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -16.441 -7.728 -12.435 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -17.633 -7.687 -10.169 1.00 0.00 H new ATOM 706 N PHE A 43 -10.769 -9.373 -7.428 1.00 0.00 N ATOM 707 CA PHE A 43 -9.531 -10.203 -7.371 1.00 0.00 C ATOM 708 C PHE A 43 -9.404 -10.855 -5.992 1.00 0.00 C ATOM 709 O PHE A 43 -8.447 -11.549 -5.711 1.00 0.00 O ATOM 710 CB PHE A 43 -8.320 -9.305 -7.633 1.00 0.00 C ATOM 711 CG PHE A 43 -7.049 -10.027 -7.254 1.00 0.00 C ATOM 712 CD1 PHE A 43 -6.740 -11.257 -7.845 1.00 0.00 C ATOM 713 CD2 PHE A 43 -6.178 -9.462 -6.314 1.00 0.00 C ATOM 714 CE1 PHE A 43 -5.560 -11.923 -7.496 1.00 0.00 C ATOM 715 CE2 PHE A 43 -4.998 -10.129 -5.965 1.00 0.00 C ATOM 716 CZ PHE A 43 -4.689 -11.359 -6.556 1.00 0.00 C ATOM 0 H PHE A 43 -10.708 -8.470 -6.957 1.00 0.00 H new ATOM 0 HA PHE A 43 -9.579 -10.987 -8.127 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.287 -9.023 -8.685 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.409 -8.383 -7.058 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.412 -11.692 -8.570 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.417 -8.512 -5.859 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.321 -12.872 -7.952 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.326 -9.694 -5.240 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.778 -11.874 -6.287 1.00 0.00 H new ATOM 726 N LEU A 44 -10.356 -10.639 -5.127 1.00 0.00 N ATOM 727 CA LEU A 44 -10.280 -11.247 -3.767 1.00 0.00 C ATOM 728 C LEU A 44 -11.399 -12.279 -3.598 1.00 0.00 C ATOM 729 O LEU A 44 -12.556 -11.999 -3.840 1.00 0.00 O ATOM 730 CB LEU A 44 -10.435 -10.151 -2.711 1.00 0.00 C ATOM 731 CG LEU A 44 -10.343 -10.766 -1.314 1.00 0.00 C ATOM 732 CD1 LEU A 44 -9.281 -10.026 -0.498 1.00 0.00 C ATOM 733 CD2 LEU A 44 -11.698 -10.643 -0.616 1.00 0.00 C ATOM 0 H LEU A 44 -11.183 -10.068 -5.302 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.315 -11.739 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.659 -9.397 -2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.393 -9.646 -2.834 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.069 -11.818 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.216 -10.465 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.315 -10.111 -0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.554 -8.974 -0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.635 -11.081 0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.971 -9.591 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.455 -11.170 -1.197 1.00 0.00 H new ATOM 745 N GLU A 45 -11.062 -13.470 -3.180 1.00 0.00 N ATOM 746 CA GLU A 45 -12.105 -14.520 -2.991 1.00 0.00 C ATOM 747 C GLU A 45 -11.527 -15.680 -2.175 1.00 0.00 C ATOM 748 O GLU A 45 -11.995 -16.799 -2.252 1.00 0.00 O ATOM 749 CB GLU A 45 -12.568 -15.035 -4.355 1.00 0.00 C ATOM 750 CG GLU A 45 -11.373 -15.605 -5.121 1.00 0.00 C ATOM 751 CD GLU A 45 -11.844 -16.151 -6.470 1.00 0.00 C ATOM 752 OE1 GLU A 45 -12.518 -15.422 -7.180 1.00 0.00 O ATOM 753 OE2 GLU A 45 -11.524 -17.287 -6.771 1.00 0.00 O ATOM 0 H GLU A 45 -10.109 -13.761 -2.961 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.954 -14.092 -2.458 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.330 -15.804 -4.225 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.025 -14.226 -4.924 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.622 -14.830 -5.273 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.900 -16.398 -4.541 1.00 0.00 H new ATOM 760 N GLU A 46 -10.517 -15.421 -1.391 1.00 0.00 N ATOM 761 CA GLU A 46 -9.909 -16.504 -0.566 1.00 0.00 C ATOM 762 C GLU A 46 -9.708 -15.987 0.859 1.00 0.00 C ATOM 763 O GLU A 46 -10.162 -16.580 1.818 1.00 0.00 O ATOM 764 CB GLU A 46 -8.554 -16.899 -1.157 1.00 0.00 C ATOM 765 CG GLU A 46 -8.766 -17.798 -2.376 1.00 0.00 C ATOM 766 CD GLU A 46 -9.133 -19.209 -1.916 1.00 0.00 C ATOM 767 OE1 GLU A 46 -10.024 -19.328 -1.093 1.00 0.00 O ATOM 768 OE2 GLU A 46 -8.516 -20.146 -2.394 1.00 0.00 O ATOM 0 H GLU A 46 -10.085 -14.503 -1.286 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.566 -17.374 -0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.997 -16.007 -1.443 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.958 -17.420 -0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.558 -17.393 -3.006 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.860 -17.826 -2.981 1.00 0.00 H new ATOM 775 N ILE A 47 -9.034 -14.881 1.003 1.00 0.00 N ATOM 776 CA ILE A 47 -8.806 -14.315 2.361 1.00 0.00 C ATOM 777 C ILE A 47 -8.170 -15.373 3.264 1.00 0.00 C ATOM 778 O ILE A 47 -8.848 -16.195 3.845 1.00 0.00 O ATOM 779 CB ILE A 47 -10.143 -13.875 2.957 1.00 0.00 C ATOM 780 CG1 ILE A 47 -10.676 -12.673 2.177 1.00 0.00 C ATOM 781 CG2 ILE A 47 -9.945 -13.485 4.423 1.00 0.00 C ATOM 782 CD1 ILE A 47 -12.176 -12.848 1.935 1.00 0.00 C ATOM 0 H ILE A 47 -8.630 -14.343 0.236 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.137 -13.458 2.286 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.857 -14.696 2.894 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.491 -11.754 2.733 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.151 -12.581 1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -10.898 -13.171 4.848 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -9.564 -14.342 4.979 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.231 -12.664 4.488 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.557 -11.992 1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.348 -13.759 1.362 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.693 -12.919 2.892 1.00 0.00 H new ATOM 794 N LYS A 48 -6.872 -15.353 3.396 1.00 0.00 N ATOM 795 CA LYS A 48 -6.196 -16.349 4.272 1.00 0.00 C ATOM 796 C LYS A 48 -5.980 -15.732 5.653 1.00 0.00 C ATOM 797 O LYS A 48 -6.026 -16.407 6.662 1.00 0.00 O ATOM 798 CB LYS A 48 -4.845 -16.732 3.667 1.00 0.00 C ATOM 799 CG LYS A 48 -4.292 -17.957 4.397 1.00 0.00 C ATOM 800 CD LYS A 48 -2.963 -17.597 5.064 1.00 0.00 C ATOM 801 CE LYS A 48 -3.115 -17.677 6.585 1.00 0.00 C ATOM 802 NZ LYS A 48 -2.240 -18.761 7.116 1.00 0.00 N ATOM 0 H LYS A 48 -6.251 -14.689 2.934 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.816 -17.242 4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.958 -16.948 2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.147 -15.899 3.751 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.006 -18.300 5.146 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.148 -18.778 3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.180 -18.278 4.730 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.658 -16.593 4.771 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.846 -16.723 7.039 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.155 -17.873 6.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.343 -18.815 8.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.517 -19.669 6.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.249 -18.555 6.877 1.00 0.00 H new ATOM 816 N GLU A 49 -5.749 -14.449 5.706 1.00 0.00 N ATOM 817 CA GLU A 49 -5.537 -13.781 7.019 1.00 0.00 C ATOM 818 C GLU A 49 -6.886 -13.324 7.574 1.00 0.00 C ATOM 819 O GLU A 49 -7.168 -12.146 7.657 1.00 0.00 O ATOM 820 CB GLU A 49 -4.621 -12.570 6.834 1.00 0.00 C ATOM 821 CG GLU A 49 -3.264 -12.850 7.484 1.00 0.00 C ATOM 822 CD GLU A 49 -3.437 -12.978 8.998 1.00 0.00 C ATOM 823 OE1 GLU A 49 -4.345 -12.359 9.526 1.00 0.00 O ATOM 824 OE2 GLU A 49 -2.658 -13.695 9.605 1.00 0.00 O ATOM 0 H GLU A 49 -5.698 -13.834 4.894 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.073 -14.479 7.716 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.491 -12.358 5.773 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.075 -11.686 7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.837 -13.767 7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.566 -12.045 7.254 1.00 0.00 H new ATOM 831 N GLN A 50 -7.725 -14.248 7.949 1.00 0.00 N ATOM 832 CA GLN A 50 -9.057 -13.870 8.495 1.00 0.00 C ATOM 833 C GLN A 50 -8.896 -12.708 9.479 1.00 0.00 C ATOM 834 O GLN A 50 -9.802 -11.929 9.686 1.00 0.00 O ATOM 835 CB GLN A 50 -9.670 -15.070 9.218 1.00 0.00 C ATOM 836 CG GLN A 50 -11.014 -14.667 9.828 1.00 0.00 C ATOM 837 CD GLN A 50 -12.153 -15.172 8.939 1.00 0.00 C ATOM 838 OE1 GLN A 50 -12.036 -15.184 7.730 1.00 0.00 O ATOM 839 NE2 GLN A 50 -13.256 -15.591 9.492 1.00 0.00 N ATOM 0 H GLN A 50 -7.545 -15.251 7.901 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.711 -13.565 7.678 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.808 -15.896 8.521 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.995 -15.421 9.999 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -11.109 -15.084 10.831 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -11.070 -13.583 9.927 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.353 -15.581 10.507 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -14.022 -15.929 8.910 1.00 0.00 H new ATOM 848 N GLU A 51 -7.748 -12.589 10.091 1.00 0.00 N ATOM 849 CA GLU A 51 -7.534 -11.481 11.064 1.00 0.00 C ATOM 850 C GLU A 51 -7.315 -10.166 10.313 1.00 0.00 C ATOM 851 O GLU A 51 -7.869 -9.146 10.663 1.00 0.00 O ATOM 852 CB GLU A 51 -6.305 -11.786 11.922 1.00 0.00 C ATOM 853 CG GLU A 51 -6.535 -11.271 13.346 1.00 0.00 C ATOM 854 CD GLU A 51 -5.203 -11.226 14.096 1.00 0.00 C ATOM 855 OE1 GLU A 51 -4.610 -12.276 14.275 1.00 0.00 O ATOM 856 OE2 GLU A 51 -4.798 -10.142 14.482 1.00 0.00 O ATOM 0 H GLU A 51 -6.950 -13.211 9.959 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.413 -11.390 11.702 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.117 -12.860 11.938 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.422 -11.314 11.492 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.981 -10.277 13.316 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.237 -11.920 13.869 1.00 0.00 H new ATOM 863 N VAL A 52 -6.509 -10.180 9.288 1.00 0.00 N ATOM 864 CA VAL A 52 -6.257 -8.927 8.522 1.00 0.00 C ATOM 865 C VAL A 52 -7.567 -8.417 7.921 1.00 0.00 C ATOM 866 O VAL A 52 -7.959 -7.286 8.133 1.00 0.00 O ATOM 867 CB VAL A 52 -5.263 -9.212 7.395 1.00 0.00 C ATOM 868 CG1 VAL A 52 -5.065 -7.950 6.556 1.00 0.00 C ATOM 869 CG2 VAL A 52 -3.924 -9.643 7.994 1.00 0.00 C ATOM 0 H VAL A 52 -6.014 -11.004 8.948 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.847 -8.172 9.193 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.651 -10.010 6.762 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.356 -8.154 5.753 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.020 -7.644 6.128 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.677 -7.150 7.187 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.215 -9.846 7.191 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.536 -8.846 8.628 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.065 -10.544 8.590 1.00 0.00 H new ATOM 879 N VAL A 53 -8.244 -9.237 7.167 1.00 0.00 N ATOM 880 CA VAL A 53 -9.523 -8.796 6.547 1.00 0.00 C ATOM 881 C VAL A 53 -10.570 -8.565 7.632 1.00 0.00 C ATOM 882 O VAL A 53 -11.457 -7.748 7.487 1.00 0.00 O ATOM 883 CB VAL A 53 -10.018 -9.874 5.582 1.00 0.00 C ATOM 884 CG1 VAL A 53 -11.414 -9.508 5.075 1.00 0.00 C ATOM 885 CG2 VAL A 53 -9.057 -9.975 4.397 1.00 0.00 C ATOM 0 H VAL A 53 -7.966 -10.195 6.953 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.358 -7.866 6.003 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.061 -10.832 6.100 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.765 -10.278 4.387 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -12.100 -9.435 5.919 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.373 -8.550 4.557 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.408 -10.743 3.708 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.014 -9.016 3.880 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.062 -10.238 4.757 1.00 0.00 H new ATOM 895 N ASP A 54 -10.478 -9.271 8.722 1.00 0.00 N ATOM 896 CA ASP A 54 -11.473 -9.078 9.810 1.00 0.00 C ATOM 897 C ASP A 54 -11.157 -7.782 10.554 1.00 0.00 C ATOM 898 O ASP A 54 -12.006 -7.203 11.200 1.00 0.00 O ATOM 899 CB ASP A 54 -11.410 -10.255 10.784 1.00 0.00 C ATOM 900 CG ASP A 54 -12.363 -10.003 11.952 1.00 0.00 C ATOM 901 OD1 ASP A 54 -13.518 -10.378 11.839 1.00 0.00 O ATOM 902 OD2 ASP A 54 -11.922 -9.439 12.941 1.00 0.00 O ATOM 0 H ASP A 54 -9.759 -9.971 8.906 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.474 -9.022 9.382 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.681 -11.179 10.273 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.392 -10.382 11.152 1.00 0.00 H new ATOM 907 N LYS A 55 -9.939 -7.318 10.470 1.00 0.00 N ATOM 908 CA LYS A 55 -9.571 -6.060 11.174 1.00 0.00 C ATOM 909 C LYS A 55 -10.016 -4.857 10.343 1.00 0.00 C ATOM 910 O LYS A 55 -10.685 -3.969 10.835 1.00 0.00 O ATOM 911 CB LYS A 55 -8.056 -6.012 11.381 1.00 0.00 C ATOM 912 CG LYS A 55 -7.665 -4.664 11.990 1.00 0.00 C ATOM 913 CD LYS A 55 -7.033 -3.784 10.911 1.00 0.00 C ATOM 914 CE LYS A 55 -6.171 -2.705 11.570 1.00 0.00 C ATOM 915 NZ LYS A 55 -4.853 -3.287 11.951 1.00 0.00 N ATOM 0 H LYS A 55 -9.184 -7.757 9.943 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.068 -6.030 12.144 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.742 -6.824 12.037 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.544 -6.155 10.430 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.544 -4.172 12.407 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.963 -4.813 12.811 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.424 -4.392 10.242 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.810 -3.322 10.303 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.027 -1.870 10.884 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.675 -2.310 12.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.501 -2.817 12.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.963 -4.305 12.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.174 -3.146 11.176 1.00 0.00 H new ATOM 929 N VAL A 56 -9.657 -4.814 9.088 1.00 0.00 N ATOM 930 CA VAL A 56 -10.071 -3.665 8.246 1.00 0.00 C ATOM 931 C VAL A 56 -11.577 -3.737 8.025 1.00 0.00 C ATOM 932 O VAL A 56 -12.288 -2.767 8.185 1.00 0.00 O ATOM 933 CB VAL A 56 -9.347 -3.734 6.903 1.00 0.00 C ATOM 934 CG1 VAL A 56 -7.839 -3.620 7.129 1.00 0.00 C ATOM 935 CG2 VAL A 56 -9.659 -5.067 6.217 1.00 0.00 C ATOM 0 H VAL A 56 -9.097 -5.524 8.615 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.817 -2.727 8.740 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.684 -2.913 6.270 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.323 -3.669 6.170 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.615 -2.670 7.614 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.503 -4.440 7.764 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.141 -5.113 5.259 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.325 -5.889 6.850 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.733 -5.149 6.053 1.00 0.00 H new ATOM 945 N MET A 57 -12.069 -4.888 7.676 1.00 0.00 N ATOM 946 CA MET A 57 -13.532 -5.042 7.464 1.00 0.00 C ATOM 947 C MET A 57 -14.243 -4.771 8.786 1.00 0.00 C ATOM 948 O MET A 57 -15.420 -4.488 8.822 1.00 0.00 O ATOM 949 CB MET A 57 -13.821 -6.473 7.023 1.00 0.00 C ATOM 950 CG MET A 57 -15.261 -6.576 6.520 1.00 0.00 C ATOM 951 SD MET A 57 -15.460 -5.554 5.039 1.00 0.00 S ATOM 952 CE MET A 57 -14.008 -6.159 4.145 1.00 0.00 C ATOM 0 H MET A 57 -11.519 -5.734 7.527 1.00 0.00 H new ATOM 0 HA MET A 57 -13.880 -4.346 6.701 1.00 0.00 H new ATOM 0 HB2 MET A 57 -13.128 -6.768 6.235 1.00 0.00 H new ATOM 0 HB3 MET A 57 -13.667 -7.159 7.856 1.00 0.00 H new ATOM 0 HG2 MET A 57 -15.505 -7.614 6.294 1.00 0.00 H new ATOM 0 HG3 MET A 57 -15.953 -6.248 7.296 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.149 -6.006 3.075 1.00 0.00 H new ATOM 0 HE2 MET A 57 -13.124 -5.614 4.476 1.00 0.00 H new ATOM 0 HE3 MET A 57 -13.875 -7.222 4.345 1.00 0.00 H new ATOM 962 N GLU A 58 -13.531 -4.867 9.876 1.00 0.00 N ATOM 963 CA GLU A 58 -14.158 -4.619 11.205 1.00 0.00 C ATOM 964 C GLU A 58 -14.429 -3.123 11.373 1.00 0.00 C ATOM 965 O GLU A 58 -15.551 -2.713 11.585 1.00 0.00 O ATOM 966 CB GLU A 58 -13.219 -5.090 12.316 1.00 0.00 C ATOM 967 CG GLU A 58 -13.744 -6.398 12.909 1.00 0.00 C ATOM 968 CD GLU A 58 -12.698 -6.983 13.860 1.00 0.00 C ATOM 969 OE1 GLU A 58 -11.534 -6.994 13.494 1.00 0.00 O ATOM 970 OE2 GLU A 58 -13.078 -7.409 14.937 1.00 0.00 O ATOM 0 H GLU A 58 -12.540 -5.107 9.903 1.00 0.00 H new ATOM 0 HA GLU A 58 -15.097 -5.170 11.266 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.214 -5.236 11.920 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -13.148 -4.329 13.093 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -14.677 -6.219 13.443 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -13.964 -7.108 12.112 1.00 0.00 H new ATOM 977 N THR A 59 -13.419 -2.299 11.274 1.00 0.00 N ATOM 978 CA THR A 59 -13.654 -0.836 11.421 1.00 0.00 C ATOM 979 C THR A 59 -14.654 -0.411 10.351 1.00 0.00 C ATOM 980 O THR A 59 -15.534 0.398 10.578 1.00 0.00 O ATOM 981 CB THR A 59 -12.340 -0.077 11.227 1.00 0.00 C ATOM 982 OG1 THR A 59 -11.253 -0.910 11.603 1.00 0.00 O ATOM 983 CG2 THR A 59 -12.342 1.183 12.094 1.00 0.00 C ATOM 0 H THR A 59 -12.452 -2.573 11.100 1.00 0.00 H new ATOM 0 HA THR A 59 -14.041 -0.613 12.415 1.00 0.00 H new ATOM 0 HB THR A 59 -12.236 0.206 10.179 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.411 -0.425 11.477 1.00 0.00 H new ATOM 0 HG21 THR A 59 -11.405 1.722 11.954 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.176 1.823 11.804 1.00 0.00 H new ATOM 0 HG23 THR A 59 -12.447 0.903 13.142 1.00 0.00 H new ATOM 991 N LEU A 60 -14.523 -0.975 9.185 1.00 0.00 N ATOM 992 CA LEU A 60 -15.451 -0.650 8.073 1.00 0.00 C ATOM 993 C LEU A 60 -16.888 -0.891 8.534 1.00 0.00 C ATOM 994 O LEU A 60 -17.727 -0.013 8.480 1.00 0.00 O ATOM 995 CB LEU A 60 -15.124 -1.561 6.888 1.00 0.00 C ATOM 996 CG LEU A 60 -14.097 -0.875 5.989 1.00 0.00 C ATOM 997 CD1 LEU A 60 -13.644 -1.841 4.893 1.00 0.00 C ATOM 998 CD2 LEU A 60 -14.727 0.363 5.349 1.00 0.00 C ATOM 0 H LEU A 60 -13.801 -1.657 8.954 1.00 0.00 H new ATOM 0 HA LEU A 60 -15.342 0.393 7.776 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -14.733 -2.514 7.245 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.030 -1.780 6.323 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.235 -0.578 6.587 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -12.912 -1.348 4.254 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.193 -2.723 5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.504 -2.141 4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.995 0.853 4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.590 0.065 4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.046 1.054 6.130 1.00 0.00 H new ATOM 1010 N ASP A 61 -17.172 -2.076 8.997 1.00 0.00 N ATOM 1011 CA ASP A 61 -18.546 -2.387 9.474 1.00 0.00 C ATOM 1012 C ASP A 61 -18.723 -1.852 10.897 1.00 0.00 C ATOM 1013 O ASP A 61 -19.782 -1.960 11.484 1.00 0.00 O ATOM 1014 CB ASP A 61 -18.754 -3.902 9.470 1.00 0.00 C ATOM 1015 CG ASP A 61 -20.205 -4.219 9.102 1.00 0.00 C ATOM 1016 OD1 ASP A 61 -20.515 -4.195 7.923 1.00 0.00 O ATOM 1017 OD2 ASP A 61 -20.980 -4.480 10.006 1.00 0.00 O ATOM 0 H ASP A 61 -16.507 -2.846 9.065 1.00 0.00 H new ATOM 0 HA ASP A 61 -19.276 -1.918 8.815 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -18.076 -4.371 8.756 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -18.518 -4.314 10.451 1.00 0.00 H new ATOM 1022 N GLU A 62 -17.695 -1.278 11.460 1.00 0.00 N ATOM 1023 CA GLU A 62 -17.808 -0.741 12.844 1.00 0.00 C ATOM 1024 C GLU A 62 -18.748 0.462 12.840 1.00 0.00 C ATOM 1025 O GLU A 62 -19.454 0.716 13.794 1.00 0.00 O ATOM 1026 CB GLU A 62 -16.428 -0.310 13.344 1.00 0.00 C ATOM 1027 CG GLU A 62 -16.566 0.362 14.713 1.00 0.00 C ATOM 1028 CD GLU A 62 -15.178 0.572 15.320 1.00 0.00 C ATOM 1029 OE1 GLU A 62 -14.337 -0.292 15.137 1.00 0.00 O ATOM 1030 OE2 GLU A 62 -14.979 1.592 15.957 1.00 0.00 O ATOM 0 H GLU A 62 -16.782 -1.158 11.021 1.00 0.00 H new ATOM 0 HA GLU A 62 -18.203 -1.514 13.504 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.770 -1.176 13.417 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.971 0.379 12.634 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.078 1.319 14.610 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.174 -0.256 15.374 1.00 0.00 H new ATOM 1037 N ASP A 63 -18.765 1.203 11.768 1.00 0.00 N ATOM 1038 CA ASP A 63 -19.664 2.387 11.701 1.00 0.00 C ATOM 1039 C ASP A 63 -20.073 2.640 10.250 1.00 0.00 C ATOM 1040 O ASP A 63 -21.235 2.821 9.945 1.00 0.00 O ATOM 1041 CB ASP A 63 -18.935 3.613 12.252 1.00 0.00 C ATOM 1042 CG ASP A 63 -19.915 4.781 12.363 1.00 0.00 C ATOM 1043 OD1 ASP A 63 -21.093 4.524 12.547 1.00 0.00 O ATOM 1044 OD2 ASP A 63 -19.472 5.912 12.261 1.00 0.00 O ATOM 0 H ASP A 63 -18.196 1.040 10.937 1.00 0.00 H new ATOM 0 HA ASP A 63 -20.556 2.199 12.298 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -18.509 3.387 13.230 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -18.106 3.881 11.597 1.00 0.00 H new ATOM 1049 N GLY A 64 -19.129 2.657 9.354 1.00 0.00 N ATOM 1050 CA GLY A 64 -19.462 2.901 7.923 1.00 0.00 C ATOM 1051 C GLY A 64 -19.452 4.404 7.647 1.00 0.00 C ATOM 1052 O GLY A 64 -19.347 4.837 6.517 1.00 0.00 O ATOM 0 H GLY A 64 -18.139 2.512 9.550 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -18.740 2.397 7.280 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.442 2.484 7.690 1.00 0.00 H new ATOM 1056 N ASP A 65 -19.558 5.203 8.673 1.00 0.00 N ATOM 1057 CA ASP A 65 -19.552 6.678 8.474 1.00 0.00 C ATOM 1058 C ASP A 65 -18.398 7.292 9.269 1.00 0.00 C ATOM 1059 O ASP A 65 -18.576 7.765 10.374 1.00 0.00 O ATOM 1060 CB ASP A 65 -20.875 7.264 8.964 1.00 0.00 C ATOM 1061 CG ASP A 65 -21.025 8.696 8.448 1.00 0.00 C ATOM 1062 OD1 ASP A 65 -20.464 9.589 9.063 1.00 0.00 O ATOM 1063 OD2 ASP A 65 -21.699 8.877 7.448 1.00 0.00 O ATOM 0 H ASP A 65 -19.649 4.897 9.642 1.00 0.00 H new ATOM 0 HA ASP A 65 -19.426 6.902 7.415 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -21.707 6.652 8.615 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -20.907 7.254 10.053 1.00 0.00 H new ATOM 1068 N GLY A 66 -17.218 7.288 8.718 1.00 0.00 N ATOM 1069 CA GLY A 66 -16.057 7.872 9.442 1.00 0.00 C ATOM 1070 C GLY A 66 -15.133 8.571 8.446 1.00 0.00 C ATOM 1071 O GLY A 66 -15.412 8.634 7.264 1.00 0.00 O ATOM 0 H GLY A 66 -17.007 6.905 7.796 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.403 8.582 10.193 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -15.513 7.089 9.971 1.00 0.00 H new ATOM 1075 N GLU A 67 -14.032 9.095 8.912 1.00 0.00 N ATOM 1076 CA GLU A 67 -13.092 9.790 7.990 1.00 0.00 C ATOM 1077 C GLU A 67 -11.719 9.119 8.061 1.00 0.00 C ATOM 1078 O GLU A 67 -11.162 8.935 9.126 1.00 0.00 O ATOM 1079 CB GLU A 67 -12.970 11.259 8.400 1.00 0.00 C ATOM 1080 CG GLU A 67 -14.276 11.987 8.076 1.00 0.00 C ATOM 1081 CD GLU A 67 -14.596 12.989 9.187 1.00 0.00 C ATOM 1082 OE1 GLU A 67 -13.736 13.213 10.024 1.00 0.00 O ATOM 1083 OE2 GLU A 67 -15.695 13.518 9.182 1.00 0.00 O ATOM 0 H GLU A 67 -13.744 9.071 9.890 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.470 9.730 6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.754 11.334 9.466 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.139 11.727 7.873 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.188 12.504 7.121 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.089 11.268 7.976 1.00 0.00 H new ATOM 1090 N CYS A 68 -11.173 8.742 6.936 1.00 0.00 N ATOM 1091 CA CYS A 68 -9.840 8.075 6.942 1.00 0.00 C ATOM 1092 C CYS A 68 -8.788 9.012 6.348 1.00 0.00 C ATOM 1093 O CYS A 68 -9.104 10.028 5.765 1.00 0.00 O ATOM 1094 CB CYS A 68 -9.910 6.796 6.105 1.00 0.00 C ATOM 1095 SG CYS A 68 -10.756 5.506 7.049 1.00 0.00 S ATOM 0 H CYS A 68 -11.592 8.867 6.015 1.00 0.00 H new ATOM 0 HA CYS A 68 -9.565 7.830 7.968 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -10.441 6.987 5.172 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.906 6.467 5.838 1.00 0.00 H new ATOM 0 HG CYS A 68 -10.161 4.366 6.856 1.00 0.00 H new ATOM 1101 N ASP A 69 -7.535 8.675 6.490 1.00 0.00 N ATOM 1102 CA ASP A 69 -6.463 9.542 5.930 1.00 0.00 C ATOM 1103 C ASP A 69 -5.999 8.960 4.594 1.00 0.00 C ATOM 1104 O ASP A 69 -6.603 8.051 4.062 1.00 0.00 O ATOM 1105 CB ASP A 69 -5.285 9.600 6.905 1.00 0.00 C ATOM 1106 CG ASP A 69 -5.762 10.144 8.253 1.00 0.00 C ATOM 1107 OD1 ASP A 69 -5.773 11.353 8.412 1.00 0.00 O ATOM 1108 OD2 ASP A 69 -6.109 9.342 9.103 1.00 0.00 O ATOM 0 H ASP A 69 -7.209 7.836 6.970 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.848 10.550 5.778 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.857 8.606 7.033 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.497 10.237 6.502 1.00 0.00 H new ATOM 1113 N PHE A 70 -4.934 9.473 4.045 1.00 0.00 N ATOM 1114 CA PHE A 70 -4.450 8.935 2.743 1.00 0.00 C ATOM 1115 C PHE A 70 -3.571 7.708 2.990 1.00 0.00 C ATOM 1116 O PHE A 70 -3.614 6.751 2.243 1.00 0.00 O ATOM 1117 CB PHE A 70 -3.657 10.002 1.981 1.00 0.00 C ATOM 1118 CG PHE A 70 -2.835 10.829 2.938 1.00 0.00 C ATOM 1119 CD1 PHE A 70 -3.378 11.985 3.510 1.00 0.00 C ATOM 1120 CD2 PHE A 70 -1.529 10.443 3.251 1.00 0.00 C ATOM 1121 CE1 PHE A 70 -2.616 12.753 4.397 1.00 0.00 C ATOM 1122 CE2 PHE A 70 -0.765 11.210 4.139 1.00 0.00 C ATOM 1123 CZ PHE A 70 -1.308 12.366 4.711 1.00 0.00 C ATOM 0 H PHE A 70 -4.381 10.235 4.437 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.311 8.649 2.139 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -3.005 9.526 1.249 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.340 10.646 1.428 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -4.387 12.285 3.266 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.109 9.552 2.808 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.037 13.644 4.839 1.00 0.00 H new ATOM 0 HE2 PHE A 70 0.243 10.909 4.382 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.718 12.959 5.394 1.00 0.00 H new ATOM 1133 N GLN A 71 -2.788 7.707 4.037 1.00 0.00 N ATOM 1134 CA GLN A 71 -1.938 6.508 4.305 1.00 0.00 C ATOM 1135 C GLN A 71 -2.784 5.445 4.994 1.00 0.00 C ATOM 1136 O GLN A 71 -2.394 4.302 5.098 1.00 0.00 O ATOM 1137 CB GLN A 71 -0.735 6.831 5.200 1.00 0.00 C ATOM 1138 CG GLN A 71 -0.793 8.258 5.742 1.00 0.00 C ATOM 1139 CD GLN A 71 0.569 8.622 6.345 1.00 0.00 C ATOM 1140 OE1 GLN A 71 0.854 9.780 6.574 1.00 0.00 O ATOM 1141 NE2 GLN A 71 1.429 7.672 6.613 1.00 0.00 N ATOM 0 H GLN A 71 -2.700 8.470 4.708 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.557 6.155 3.346 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.703 6.128 6.032 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.186 6.696 4.633 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.048 8.954 4.943 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.573 8.341 6.498 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.190 6.699 6.421 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.338 7.905 7.014 1.00 0.00 H new ATOM 1150 N GLU A 72 -3.936 5.812 5.472 1.00 0.00 N ATOM 1151 CA GLU A 72 -4.806 4.819 6.153 1.00 0.00 C ATOM 1152 C GLU A 72 -5.506 3.972 5.092 1.00 0.00 C ATOM 1153 O GLU A 72 -5.514 2.759 5.154 1.00 0.00 O ATOM 1154 CB GLU A 72 -5.843 5.556 7.002 1.00 0.00 C ATOM 1155 CG GLU A 72 -5.281 5.794 8.405 1.00 0.00 C ATOM 1156 CD GLU A 72 -6.027 4.918 9.411 1.00 0.00 C ATOM 1157 OE1 GLU A 72 -6.702 3.998 8.979 1.00 0.00 O ATOM 1158 OE2 GLU A 72 -5.912 5.182 10.597 1.00 0.00 O ATOM 0 H GLU A 72 -4.314 6.758 5.421 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.210 4.175 6.800 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.100 6.507 6.536 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.761 4.972 7.061 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.216 5.563 8.425 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.384 6.845 8.676 1.00 0.00 H new ATOM 1165 N PHE A 73 -6.080 4.605 4.108 1.00 0.00 N ATOM 1166 CA PHE A 73 -6.768 3.845 3.028 1.00 0.00 C ATOM 1167 C PHE A 73 -5.710 3.096 2.207 1.00 0.00 C ATOM 1168 O PHE A 73 -5.967 2.046 1.653 1.00 0.00 O ATOM 1169 CB PHE A 73 -7.546 4.837 2.142 1.00 0.00 C ATOM 1170 CG PHE A 73 -7.486 4.425 0.686 1.00 0.00 C ATOM 1171 CD1 PHE A 73 -8.158 3.277 0.251 1.00 0.00 C ATOM 1172 CD2 PHE A 73 -6.750 5.190 -0.223 1.00 0.00 C ATOM 1173 CE1 PHE A 73 -8.095 2.897 -1.095 1.00 0.00 C ATOM 1174 CE2 PHE A 73 -6.687 4.812 -1.569 1.00 0.00 C ATOM 1175 CZ PHE A 73 -7.358 3.664 -2.005 1.00 0.00 C ATOM 0 H PHE A 73 -6.102 5.620 4.005 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.469 3.123 3.445 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -8.585 4.884 2.468 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.130 5.838 2.258 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.725 2.684 0.954 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -6.229 6.074 0.114 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.615 2.012 -1.431 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -6.121 5.406 -2.271 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.307 3.370 -3.043 1.00 0.00 H new ATOM 1185 N MET A 74 -4.527 3.636 2.122 1.00 0.00 N ATOM 1186 CA MET A 74 -3.454 2.966 1.337 1.00 0.00 C ATOM 1187 C MET A 74 -2.937 1.753 2.110 1.00 0.00 C ATOM 1188 O MET A 74 -2.771 0.681 1.565 1.00 0.00 O ATOM 1189 CB MET A 74 -2.306 3.950 1.113 1.00 0.00 C ATOM 1190 CG MET A 74 -2.275 4.373 -0.357 1.00 0.00 C ATOM 1191 SD MET A 74 -0.645 4.015 -1.054 1.00 0.00 S ATOM 1192 CE MET A 74 -1.083 2.463 -1.876 1.00 0.00 C ATOM 0 H MET A 74 -4.256 4.515 2.563 1.00 0.00 H new ATOM 0 HA MET A 74 -3.853 2.641 0.376 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.433 4.824 1.751 1.00 0.00 H new ATOM 0 HB3 MET A 74 -1.358 3.488 1.390 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.046 3.842 -0.916 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.494 5.437 -0.445 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.448 1.661 -1.500 1.00 0.00 H new ATOM 0 HE2 MET A 74 -2.127 2.225 -1.672 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.938 2.567 -2.951 1.00 0.00 H new ATOM 1202 N ALA A 75 -2.687 1.916 3.378 1.00 0.00 N ATOM 1203 CA ALA A 75 -2.187 0.774 4.191 1.00 0.00 C ATOM 1204 C ALA A 75 -3.326 -0.221 4.402 1.00 0.00 C ATOM 1205 O ALA A 75 -3.110 -1.366 4.740 1.00 0.00 O ATOM 1206 CB ALA A 75 -1.695 1.287 5.547 1.00 0.00 C ATOM 0 H ALA A 75 -2.807 2.792 3.887 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.362 0.285 3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.329 0.450 6.142 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.888 2.004 5.394 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.517 1.773 6.072 1.00 0.00 H new ATOM 1212 N PHE A 76 -4.541 0.213 4.207 1.00 0.00 N ATOM 1213 CA PHE A 76 -5.703 -0.700 4.395 1.00 0.00 C ATOM 1214 C PHE A 76 -5.867 -1.584 3.157 1.00 0.00 C ATOM 1215 O PHE A 76 -6.196 -2.749 3.252 1.00 0.00 O ATOM 1216 CB PHE A 76 -6.970 0.132 4.600 1.00 0.00 C ATOM 1217 CG PHE A 76 -7.515 -0.118 5.983 1.00 0.00 C ATOM 1218 CD1 PHE A 76 -6.741 0.188 7.108 1.00 0.00 C ATOM 1219 CD2 PHE A 76 -8.798 -0.658 6.140 1.00 0.00 C ATOM 1220 CE1 PHE A 76 -7.246 -0.047 8.391 1.00 0.00 C ATOM 1221 CE2 PHE A 76 -9.303 -0.892 7.424 1.00 0.00 C ATOM 1222 CZ PHE A 76 -8.527 -0.586 8.548 1.00 0.00 C ATOM 0 H PHE A 76 -4.779 1.164 3.925 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.534 -1.331 5.268 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.748 1.191 4.471 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -7.716 -0.131 3.850 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.753 0.606 6.985 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.396 -0.893 5.272 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.648 0.187 9.259 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.292 -1.309 7.548 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.918 -0.766 9.538 1.00 0.00 H new ATOM 1232 N VAL A 77 -5.640 -1.038 1.994 1.00 0.00 N ATOM 1233 CA VAL A 77 -5.785 -1.845 0.748 1.00 0.00 C ATOM 1234 C VAL A 77 -4.657 -2.874 0.672 1.00 0.00 C ATOM 1235 O VAL A 77 -4.796 -3.918 0.065 1.00 0.00 O ATOM 1236 CB VAL A 77 -5.709 -0.919 -0.465 1.00 0.00 C ATOM 1237 CG1 VAL A 77 -5.766 -1.749 -1.748 1.00 0.00 C ATOM 1238 CG2 VAL A 77 -6.889 0.053 -0.436 1.00 0.00 C ATOM 0 H VAL A 77 -5.360 -0.067 1.852 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.746 -2.360 0.757 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.774 -0.360 -0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.712 -1.087 -2.612 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.926 -2.444 -1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.701 -2.309 -1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.837 0.715 -1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.823 -0.508 -0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.849 0.646 0.478 1.00 0.00 H new ATOM 1248 N SER A 78 -3.538 -2.589 1.278 1.00 0.00 N ATOM 1249 CA SER A 78 -2.402 -3.550 1.234 1.00 0.00 C ATOM 1250 C SER A 78 -2.674 -4.713 2.190 1.00 0.00 C ATOM 1251 O SER A 78 -2.180 -5.804 2.007 1.00 0.00 O ATOM 1252 CB SER A 78 -1.116 -2.838 1.652 1.00 0.00 C ATOM 1253 OG SER A 78 -0.654 -2.037 0.573 1.00 0.00 O ATOM 0 H SER A 78 -3.362 -1.732 1.802 1.00 0.00 H new ATOM 0 HA SER A 78 -2.293 -3.934 0.220 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.298 -2.217 2.529 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.356 -3.568 1.930 1.00 0.00 H new ATOM 0 HG SER A 78 -0.355 -2.616 -0.159 1.00 0.00 H new ATOM 1259 N MET A 79 -3.459 -4.487 3.207 1.00 0.00 N ATOM 1260 CA MET A 79 -3.764 -5.580 4.170 1.00 0.00 C ATOM 1261 C MET A 79 -4.643 -6.623 3.482 1.00 0.00 C ATOM 1262 O MET A 79 -4.368 -7.805 3.519 1.00 0.00 O ATOM 1263 CB MET A 79 -4.514 -5.013 5.381 1.00 0.00 C ATOM 1264 CG MET A 79 -4.100 -3.561 5.629 1.00 0.00 C ATOM 1265 SD MET A 79 -4.647 -3.052 7.278 1.00 0.00 S ATOM 1266 CE MET A 79 -3.307 -3.824 8.213 1.00 0.00 C ATOM 0 H MET A 79 -3.902 -3.592 3.412 1.00 0.00 H new ATOM 0 HA MET A 79 -2.832 -6.037 4.503 1.00 0.00 H new ATOM 0 HB2 MET A 79 -5.589 -5.068 5.210 1.00 0.00 H new ATOM 0 HB3 MET A 79 -4.301 -5.615 6.264 1.00 0.00 H new ATOM 0 HG2 MET A 79 -3.018 -3.461 5.546 1.00 0.00 H new ATOM 0 HG3 MET A 79 -4.539 -2.912 4.872 1.00 0.00 H new ATOM 0 HE1 MET A 79 -3.725 -4.416 9.027 1.00 0.00 H new ATOM 0 HE2 MET A 79 -2.729 -4.471 7.553 1.00 0.00 H new ATOM 0 HE3 MET A 79 -2.657 -3.051 8.623 1.00 0.00 H new ATOM 1276 N VAL A 80 -5.707 -6.192 2.862 1.00 0.00 N ATOM 1277 CA VAL A 80 -6.611 -7.151 2.179 1.00 0.00 C ATOM 1278 C VAL A 80 -5.926 -7.717 0.931 1.00 0.00 C ATOM 1279 O VAL A 80 -6.016 -8.894 0.646 1.00 0.00 O ATOM 1280 CB VAL A 80 -7.898 -6.428 1.787 1.00 0.00 C ATOM 1281 CG1 VAL A 80 -8.715 -6.147 3.049 1.00 0.00 C ATOM 1282 CG2 VAL A 80 -7.566 -5.104 1.094 1.00 0.00 C ATOM 0 H VAL A 80 -5.987 -5.213 2.801 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.846 -7.976 2.851 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.470 -7.054 1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.636 -5.631 2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.958 -7.088 3.542 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.134 -5.522 3.727 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.490 -4.596 0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.993 -4.472 1.772 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.978 -5.300 0.197 1.00 0.00 H new ATOM 1292 N THR A 81 -5.235 -6.895 0.191 1.00 0.00 N ATOM 1293 CA THR A 81 -4.538 -7.400 -1.025 1.00 0.00 C ATOM 1294 C THR A 81 -3.407 -8.337 -0.599 1.00 0.00 C ATOM 1295 O THR A 81 -2.809 -9.016 -1.410 1.00 0.00 O ATOM 1296 CB THR A 81 -3.961 -6.220 -1.813 1.00 0.00 C ATOM 1297 OG1 THR A 81 -4.970 -5.239 -2.003 1.00 0.00 O ATOM 1298 CG2 THR A 81 -3.460 -6.705 -3.175 1.00 0.00 C ATOM 0 H THR A 81 -5.123 -5.898 0.375 1.00 0.00 H new ATOM 0 HA THR A 81 -5.243 -7.940 -1.656 1.00 0.00 H new ATOM 0 HB THR A 81 -3.130 -5.787 -1.256 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.119 -4.756 -1.164 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.050 -5.863 -3.733 1.00 0.00 H new ATOM 0 HG22 THR A 81 -2.684 -7.457 -3.031 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.288 -7.141 -3.733 1.00 0.00 H new ATOM 1306 N THR A 82 -3.112 -8.379 0.672 1.00 0.00 N ATOM 1307 CA THR A 82 -2.025 -9.269 1.163 1.00 0.00 C ATOM 1308 C THR A 82 -2.622 -10.344 2.072 1.00 0.00 C ATOM 1309 O THR A 82 -1.970 -11.306 2.425 1.00 0.00 O ATOM 1310 CB THR A 82 -1.015 -8.442 1.960 1.00 0.00 C ATOM 1311 OG1 THR A 82 -1.680 -7.816 3.048 1.00 0.00 O ATOM 1312 CG2 THR A 82 -0.397 -7.378 1.053 1.00 0.00 C ATOM 0 H THR A 82 -3.581 -7.832 1.394 1.00 0.00 H new ATOM 0 HA THR A 82 -1.528 -9.739 0.315 1.00 0.00 H new ATOM 0 HB THR A 82 -0.226 -9.091 2.340 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.817 -6.867 2.845 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.323 -6.789 1.621 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.109 -7.862 0.217 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.182 -6.724 0.673 1.00 0.00 H new ATOM 1320 N ALA A 83 -3.859 -10.185 2.456 1.00 0.00 N ATOM 1321 CA ALA A 83 -4.499 -11.193 3.345 1.00 0.00 C ATOM 1322 C ALA A 83 -5.103 -12.308 2.493 1.00 0.00 C ATOM 1323 O ALA A 83 -6.272 -12.613 2.594 1.00 0.00 O ATOM 1324 CB ALA A 83 -5.602 -10.521 4.165 1.00 0.00 C ATOM 0 H ALA A 83 -4.454 -9.400 2.192 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.752 -11.614 4.018 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.071 -11.258 4.816 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.171 -9.724 4.771 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.351 -10.102 3.493 1.00 0.00 H new ATOM 1330 N CYS A 84 -4.315 -12.916 1.651 1.00 0.00 N ATOM 1331 CA CYS A 84 -4.846 -14.010 0.793 1.00 0.00 C ATOM 1332 C CYS A 84 -4.023 -15.279 1.016 1.00 0.00 C ATOM 1333 O CYS A 84 -3.026 -15.269 1.711 1.00 0.00 O ATOM 1334 CB CYS A 84 -4.758 -13.592 -0.677 1.00 0.00 C ATOM 1335 SG CYS A 84 -5.780 -12.125 -0.947 1.00 0.00 S ATOM 0 H CYS A 84 -3.326 -12.702 1.520 1.00 0.00 H new ATOM 0 HA CYS A 84 -5.887 -14.205 1.053 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -3.723 -13.382 -0.945 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.095 -14.406 -1.319 1.00 0.00 H new ATOM 0 HG CYS A 84 -5.705 -11.767 -2.195 1.00 0.00 H new ATOM 1341 N HIS A 85 -4.434 -16.372 0.434 1.00 0.00 N ATOM 1342 CA HIS A 85 -3.677 -17.641 0.611 1.00 0.00 C ATOM 1343 C HIS A 85 -2.784 -17.867 -0.609 1.00 0.00 C ATOM 1344 O HIS A 85 -3.113 -17.472 -1.709 1.00 0.00 O ATOM 1345 CB HIS A 85 -4.662 -18.805 0.751 1.00 0.00 C ATOM 1346 CG HIS A 85 -3.972 -19.984 1.384 1.00 0.00 C ATOM 1347 ND1 HIS A 85 -2.879 -19.841 2.227 1.00 0.00 N ATOM 1348 CD2 HIS A 85 -4.209 -21.334 1.305 1.00 0.00 C ATOM 1349 CE1 HIS A 85 -2.506 -21.071 2.620 1.00 0.00 C ATOM 1350 NE2 HIS A 85 -3.283 -22.018 2.086 1.00 0.00 N ATOM 0 H HIS A 85 -5.263 -16.440 -0.157 1.00 0.00 H new ATOM 0 HA HIS A 85 -3.060 -17.581 1.508 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -5.514 -18.501 1.359 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -5.052 -19.083 -0.228 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -4.995 -21.795 0.725 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -1.679 -21.270 3.286 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -3.212 -23.026 2.222 1.00 0.00 H new ATOM 1358 N GLU A 86 -1.655 -18.493 -0.426 1.00 0.00 N ATOM 1359 CA GLU A 86 -0.744 -18.734 -1.581 1.00 0.00 C ATOM 1360 C GLU A 86 -0.498 -17.416 -2.315 1.00 0.00 C ATOM 1361 O GLU A 86 -0.905 -17.238 -3.446 1.00 0.00 O ATOM 1362 CB GLU A 86 -1.383 -19.739 -2.540 1.00 0.00 C ATOM 1363 CG GLU A 86 -1.168 -21.156 -2.007 1.00 0.00 C ATOM 1364 CD GLU A 86 -2.522 -21.832 -1.789 1.00 0.00 C ATOM 1365 OE1 GLU A 86 -3.326 -21.819 -2.707 1.00 0.00 O ATOM 1366 OE2 GLU A 86 -2.731 -22.353 -0.705 1.00 0.00 O ATOM 0 H GLU A 86 -1.324 -18.848 0.471 1.00 0.00 H new ATOM 0 HA GLU A 86 0.203 -19.134 -1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.449 -19.535 -2.642 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.944 -19.641 -3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.571 -21.734 -2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.612 -21.123 -1.070 1.00 0.00 H new ATOM 1373 N PHE A 87 0.162 -16.488 -1.678 1.00 0.00 N ATOM 1374 CA PHE A 87 0.433 -15.179 -2.335 1.00 0.00 C ATOM 1375 C PHE A 87 -0.845 -14.655 -2.990 1.00 0.00 C ATOM 1376 O PHE A 87 -1.941 -15.044 -2.641 1.00 0.00 O ATOM 1377 CB PHE A 87 1.516 -15.348 -3.402 1.00 0.00 C ATOM 1378 CG PHE A 87 2.394 -14.122 -3.414 1.00 0.00 C ATOM 1379 CD1 PHE A 87 3.049 -13.722 -2.243 1.00 0.00 C ATOM 1380 CD2 PHE A 87 2.552 -13.383 -4.592 1.00 0.00 C ATOM 1381 CE1 PHE A 87 3.861 -12.584 -2.249 1.00 0.00 C ATOM 1382 CE2 PHE A 87 3.365 -12.244 -4.599 1.00 0.00 C ATOM 1383 CZ PHE A 87 4.020 -11.845 -3.427 1.00 0.00 C ATOM 0 H PHE A 87 0.526 -16.580 -0.730 1.00 0.00 H new ATOM 0 HA PHE A 87 0.774 -14.468 -1.582 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.113 -16.236 -3.194 1.00 0.00 H new ATOM 0 HB3 PHE A 87 1.060 -15.493 -4.381 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.927 -14.293 -1.334 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.047 -13.692 -5.495 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.365 -12.275 -1.345 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.487 -11.673 -5.508 1.00 0.00 H new ATOM 0 HZ PHE A 87 4.648 -10.967 -3.432 1.00 0.00 H new ATOM 1393 N PHE A 88 -0.710 -13.767 -3.937 1.00 0.00 N ATOM 1394 CA PHE A 88 -1.910 -13.205 -4.617 1.00 0.00 C ATOM 1395 C PHE A 88 -1.579 -12.943 -6.089 1.00 0.00 C ATOM 1396 O PHE A 88 -0.921 -11.979 -6.422 1.00 0.00 O ATOM 1397 CB PHE A 88 -2.322 -11.884 -3.952 1.00 0.00 C ATOM 1398 CG PHE A 88 -1.250 -11.422 -2.989 1.00 0.00 C ATOM 1399 CD1 PHE A 88 -1.232 -11.902 -1.675 1.00 0.00 C ATOM 1400 CD2 PHE A 88 -0.272 -10.517 -3.416 1.00 0.00 C ATOM 1401 CE1 PHE A 88 -0.237 -11.479 -0.787 1.00 0.00 C ATOM 1402 CE2 PHE A 88 0.724 -10.093 -2.527 1.00 0.00 C ATOM 1403 CZ PHE A 88 0.742 -10.575 -1.213 1.00 0.00 C ATOM 0 H PHE A 88 0.184 -13.406 -4.270 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.731 -13.918 -4.539 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.488 -11.122 -4.714 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.265 -12.015 -3.421 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.987 -12.600 -1.346 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.285 -10.146 -4.430 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.225 -11.850 0.227 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.479 -9.394 -2.856 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.511 -10.249 -0.528 1.00 0.00 H new ATOM 1413 N GLU A 89 -2.028 -13.794 -6.971 1.00 0.00 N ATOM 1414 CA GLU A 89 -1.734 -13.585 -8.417 1.00 0.00 C ATOM 1415 C GLU A 89 -2.881 -14.141 -9.265 1.00 0.00 C ATOM 1416 O GLU A 89 -3.741 -13.412 -9.717 1.00 0.00 O ATOM 1417 CB GLU A 89 -0.435 -14.305 -8.783 1.00 0.00 C ATOM 1418 CG GLU A 89 0.567 -13.291 -9.333 1.00 0.00 C ATOM 1419 CD GLU A 89 0.328 -13.103 -10.832 1.00 0.00 C ATOM 1420 OE1 GLU A 89 0.253 -14.101 -11.529 1.00 0.00 O ATOM 1421 OE2 GLU A 89 0.224 -11.965 -11.257 1.00 0.00 O ATOM 0 H GLU A 89 -2.583 -14.622 -6.754 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.627 -12.518 -8.611 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.022 -14.802 -7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.631 -15.079 -9.525 1.00 0.00 H new ATOM 0 HG2 GLU A 89 0.459 -12.339 -8.814 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.585 -13.637 -9.156 1.00 0.00 H new ATOM 1428 N HIS A 90 -2.896 -15.424 -9.487 1.00 0.00 N ATOM 1429 CA HIS A 90 -3.983 -16.025 -10.312 1.00 0.00 C ATOM 1430 C HIS A 90 -4.265 -17.446 -9.824 1.00 0.00 C ATOM 1431 O HIS A 90 -4.115 -18.405 -10.555 1.00 0.00 O ATOM 1432 CB HIS A 90 -3.544 -16.068 -11.776 1.00 0.00 C ATOM 1433 CG HIS A 90 -4.749 -15.936 -12.668 1.00 0.00 C ATOM 1434 ND1 HIS A 90 -5.024 -16.847 -13.676 1.00 0.00 N ATOM 1435 CD2 HIS A 90 -5.756 -15.007 -12.716 1.00 0.00 C ATOM 1436 CE1 HIS A 90 -6.156 -16.448 -14.284 1.00 0.00 C ATOM 1437 NE2 HIS A 90 -6.644 -15.332 -13.737 1.00 0.00 N ATOM 0 H HIS A 90 -2.203 -16.084 -9.134 1.00 0.00 H new ATOM 0 HA HIS A 90 -4.887 -15.422 -10.220 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -2.839 -15.262 -11.979 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -3.026 -17.004 -11.984 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -5.846 -14.153 -12.061 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -6.614 -16.967 -15.113 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -7.487 -14.826 -14.009 1.00 0.00 H new ATOM 1445 N GLU A 91 -4.672 -17.591 -8.593 1.00 0.00 N ATOM 1446 CA GLU A 91 -4.962 -18.951 -8.064 1.00 0.00 C ATOM 1447 C GLU A 91 -3.657 -19.740 -7.948 1.00 0.00 C ATOM 1448 O GLU A 91 -2.748 -19.456 -8.710 1.00 0.00 O ATOM 1449 CB GLU A 91 -5.914 -19.676 -9.019 1.00 0.00 C ATOM 1450 CG GLU A 91 -6.808 -20.628 -8.225 1.00 0.00 C ATOM 1451 CD GLU A 91 -7.948 -21.121 -9.119 1.00 0.00 C ATOM 1452 OE1 GLU A 91 -7.720 -22.045 -9.882 1.00 0.00 O ATOM 1453 OE2 GLU A 91 -9.030 -20.566 -9.024 1.00 0.00 O ATOM 1454 OXT GLU A 91 -3.589 -20.615 -7.100 1.00 0.00 O ATOM 0 H GLU A 91 -4.816 -16.827 -7.932 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.426 -18.869 -7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.525 -18.952 -9.559 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.345 -20.232 -9.764 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.225 -21.474 -7.862 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.212 -20.120 -7.349 1.00 0.00 H new TER 1461 GLU A 91 ATOM 1462 N MET B 0 -10.575 -3.531 -14.866 1.00 0.00 N ATOM 1463 CA MET B 0 -10.519 -2.225 -15.580 1.00 0.00 C ATOM 1464 C MET B 0 -10.693 -1.088 -14.574 1.00 0.00 C ATOM 1465 O MET B 0 -11.568 -0.256 -14.709 1.00 0.00 O ATOM 1466 CB MET B 0 -11.642 -2.162 -16.617 1.00 0.00 C ATOM 1467 CG MET B 0 -11.231 -2.936 -17.870 1.00 0.00 C ATOM 1468 SD MET B 0 -11.330 -1.848 -19.313 1.00 0.00 S ATOM 1469 CE MET B 0 -13.134 -1.814 -19.451 1.00 0.00 C ATOM 0 H1 MET B 0 -10.559 -4.306 -15.559 1.00 0.00 H new ATOM 0 H2 MET B 0 -9.755 -3.616 -14.232 1.00 0.00 H new ATOM 0 H3 MET B 0 -11.451 -3.584 -14.307 1.00 0.00 H new ATOM 0 HA MET B 0 -9.556 -2.125 -16.080 1.00 0.00 H new ATOM 0 HB2 MET B 0 -12.558 -2.583 -16.202 1.00 0.00 H new ATOM 0 HB3 MET B 0 -11.856 -1.124 -16.873 1.00 0.00 H new ATOM 0 HG2 MET B 0 -10.216 -3.317 -17.758 1.00 0.00 H new ATOM 0 HG3 MET B 0 -11.882 -3.799 -18.007 1.00 0.00 H new ATOM 0 HE1 MET B 0 -13.421 -1.912 -20.498 1.00 0.00 H new ATOM 0 HE2 MET B 0 -13.558 -2.640 -18.880 1.00 0.00 H new ATOM 0 HE3 MET B 0 -13.511 -0.870 -19.059 1.00 0.00 H new ATOM 1481 N SER B 1 -9.867 -1.041 -13.565 1.00 0.00 N ATOM 1482 CA SER B 1 -9.990 0.045 -12.552 1.00 0.00 C ATOM 1483 C SER B 1 -8.603 0.597 -12.219 1.00 0.00 C ATOM 1484 O SER B 1 -7.594 0.070 -12.643 1.00 0.00 O ATOM 1485 CB SER B 1 -10.630 -0.511 -11.281 1.00 0.00 C ATOM 1486 OG SER B 1 -9.780 -1.501 -10.722 1.00 0.00 O ATOM 0 H SER B 1 -9.113 -1.707 -13.398 1.00 0.00 H new ATOM 0 HA SER B 1 -10.613 0.844 -12.956 1.00 0.00 H new ATOM 0 HB2 SER B 1 -10.795 0.291 -10.562 1.00 0.00 H new ATOM 0 HB3 SER B 1 -11.606 -0.940 -11.509 1.00 0.00 H new ATOM 0 HG SER B 1 -10.187 -1.858 -9.905 1.00 0.00 H new ATOM 1492 N GLU B 2 -8.549 1.658 -11.463 1.00 0.00 N ATOM 1493 CA GLU B 2 -7.234 2.252 -11.096 1.00 0.00 C ATOM 1494 C GLU B 2 -6.614 1.464 -9.940 1.00 0.00 C ATOM 1495 O GLU B 2 -5.414 1.298 -9.861 1.00 0.00 O ATOM 1496 CB GLU B 2 -7.440 3.699 -10.650 1.00 0.00 C ATOM 1497 CG GLU B 2 -8.147 4.489 -11.748 1.00 0.00 C ATOM 1498 CD GLU B 2 -7.465 4.225 -13.091 1.00 0.00 C ATOM 1499 OE1 GLU B 2 -6.267 4.440 -13.175 1.00 0.00 O ATOM 1500 OE2 GLU B 2 -8.150 3.816 -14.013 1.00 0.00 O ATOM 0 H GLU B 2 -9.363 2.141 -11.082 1.00 0.00 H new ATOM 0 HA GLU B 2 -6.572 2.216 -11.961 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -8.031 3.725 -9.734 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -6.478 4.158 -10.422 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -9.197 4.200 -11.799 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -8.120 5.554 -11.518 1.00 0.00 H new ATOM 1507 N LEU B 3 -7.425 0.996 -9.033 1.00 0.00 N ATOM 1508 CA LEU B 3 -6.890 0.238 -7.867 1.00 0.00 C ATOM 1509 C LEU B 3 -6.512 -1.183 -8.283 1.00 0.00 C ATOM 1510 O LEU B 3 -5.442 -1.663 -7.981 1.00 0.00 O ATOM 1511 CB LEU B 3 -7.961 0.172 -6.778 1.00 0.00 C ATOM 1512 CG LEU B 3 -7.297 -0.001 -5.413 1.00 0.00 C ATOM 1513 CD1 LEU B 3 -6.745 1.344 -4.941 1.00 0.00 C ATOM 1514 CD2 LEU B 3 -8.333 -0.510 -4.407 1.00 0.00 C ATOM 0 H LEU B 3 -8.439 1.106 -9.049 1.00 0.00 H new ATOM 0 HA LEU B 3 -6.001 0.746 -7.492 1.00 0.00 H new ATOM 0 HB2 LEU B 3 -8.561 1.082 -6.789 1.00 0.00 H new ATOM 0 HB3 LEU B 3 -8.639 -0.659 -6.971 1.00 0.00 H new ATOM 0 HG LEU B 3 -6.481 -0.720 -5.492 1.00 0.00 H new ATOM 0 HD11 LEU B 3 -6.271 1.221 -3.967 1.00 0.00 H new ATOM 0 HD12 LEU B 3 -6.010 1.708 -5.659 1.00 0.00 H new ATOM 0 HD13 LEU B 3 -7.560 2.063 -4.860 1.00 0.00 H new ATOM 0 HD21 LEU B 3 -7.862 -0.635 -3.432 1.00 0.00 H new ATOM 0 HD22 LEU B 3 -9.147 0.210 -4.328 1.00 0.00 H new ATOM 0 HD23 LEU B 3 -8.728 -1.468 -4.745 1.00 0.00 H new ATOM 1526 N GLU B 4 -7.386 -1.870 -8.954 1.00 0.00 N ATOM 1527 CA GLU B 4 -7.071 -3.267 -9.361 1.00 0.00 C ATOM 1528 C GLU B 4 -5.796 -3.303 -10.210 1.00 0.00 C ATOM 1529 O GLU B 4 -5.007 -4.220 -10.116 1.00 0.00 O ATOM 1530 CB GLU B 4 -8.237 -3.831 -10.174 1.00 0.00 C ATOM 1531 CG GLU B 4 -7.828 -5.167 -10.796 1.00 0.00 C ATOM 1532 CD GLU B 4 -7.676 -5.001 -12.309 1.00 0.00 C ATOM 1533 OE1 GLU B 4 -8.241 -4.060 -12.841 1.00 0.00 O ATOM 1534 OE2 GLU B 4 -6.997 -5.817 -12.909 1.00 0.00 O ATOM 0 H GLU B 4 -8.304 -1.528 -9.239 1.00 0.00 H new ATOM 0 HA GLU B 4 -6.915 -3.869 -8.466 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -9.108 -3.968 -9.533 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -8.523 -3.127 -10.955 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -6.889 -5.510 -10.361 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -8.578 -5.927 -10.576 1.00 0.00 H new ATOM 1541 N LYS B 5 -5.591 -2.329 -11.049 1.00 0.00 N ATOM 1542 CA LYS B 5 -4.370 -2.337 -11.905 1.00 0.00 C ATOM 1543 C LYS B 5 -3.159 -1.826 -11.116 1.00 0.00 C ATOM 1544 O LYS B 5 -2.131 -2.470 -11.055 1.00 0.00 O ATOM 1545 CB LYS B 5 -4.599 -1.442 -13.125 1.00 0.00 C ATOM 1546 CG LYS B 5 -5.305 -2.243 -14.221 1.00 0.00 C ATOM 1547 CD LYS B 5 -6.224 -1.319 -15.022 1.00 0.00 C ATOM 1548 CE LYS B 5 -5.618 -1.069 -16.403 1.00 0.00 C ATOM 1549 NZ LYS B 5 -5.677 0.386 -16.715 1.00 0.00 N ATOM 0 H LYS B 5 -6.212 -1.530 -11.181 1.00 0.00 H new ATOM 0 HA LYS B 5 -4.172 -3.359 -12.228 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -5.201 -0.577 -12.847 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -3.647 -1.062 -13.494 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -4.569 -2.702 -14.881 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -5.884 -3.053 -13.778 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -7.212 -1.769 -15.123 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -6.356 -0.374 -14.495 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -4.585 -1.415 -16.427 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -6.162 -1.636 -17.159 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -5.265 0.557 -17.654 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -6.668 0.702 -16.709 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -5.140 0.916 -16.000 1.00 0.00 H new ATOM 1563 N ALA B 6 -3.263 -0.667 -10.528 1.00 0.00 N ATOM 1564 CA ALA B 6 -2.110 -0.108 -9.764 1.00 0.00 C ATOM 1565 C ALA B 6 -1.830 -0.956 -8.519 1.00 0.00 C ATOM 1566 O ALA B 6 -0.743 -1.465 -8.334 1.00 0.00 O ATOM 1567 CB ALA B 6 -2.436 1.324 -9.336 1.00 0.00 C ATOM 0 H ALA B 6 -4.098 -0.081 -10.543 1.00 0.00 H new ATOM 0 HA ALA B 6 -1.226 -0.117 -10.402 1.00 0.00 H new ATOM 0 HB1 ALA B 6 -1.596 1.737 -8.777 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -2.619 1.935 -10.220 1.00 0.00 H new ATOM 0 HB3 ALA B 6 -3.325 1.322 -8.706 1.00 0.00 H new ATOM 1573 N MET B 7 -2.798 -1.097 -7.659 1.00 0.00 N ATOM 1574 CA MET B 7 -2.593 -1.895 -6.418 1.00 0.00 C ATOM 1575 C MET B 7 -2.009 -3.261 -6.763 1.00 0.00 C ATOM 1576 O MET B 7 -0.978 -3.657 -6.255 1.00 0.00 O ATOM 1577 CB MET B 7 -3.937 -2.090 -5.714 1.00 0.00 C ATOM 1578 CG MET B 7 -3.725 -2.875 -4.417 1.00 0.00 C ATOM 1579 SD MET B 7 -2.466 -2.054 -3.409 1.00 0.00 S ATOM 1580 CE MET B 7 -2.619 -3.110 -1.949 1.00 0.00 C ATOM 0 H MET B 7 -3.728 -0.692 -7.762 1.00 0.00 H new ATOM 0 HA MET B 7 -1.902 -1.363 -5.764 1.00 0.00 H new ATOM 0 HB2 MET B 7 -4.389 -1.122 -5.496 1.00 0.00 H new ATOM 0 HB3 MET B 7 -4.627 -2.625 -6.367 1.00 0.00 H new ATOM 0 HG2 MET B 7 -4.662 -2.942 -3.863 1.00 0.00 H new ATOM 0 HG3 MET B 7 -3.415 -3.895 -4.644 1.00 0.00 H new ATOM 0 HE1 MET B 7 -2.340 -2.544 -1.060 1.00 0.00 H new ATOM 0 HE2 MET B 7 -3.650 -3.452 -1.853 1.00 0.00 H new ATOM 0 HE3 MET B 7 -1.959 -3.972 -2.052 1.00 0.00 H new ATOM 1590 N VAL B 8 -2.668 -3.992 -7.613 1.00 0.00 N ATOM 1591 CA VAL B 8 -2.159 -5.341 -7.976 1.00 0.00 C ATOM 1592 C VAL B 8 -0.780 -5.222 -8.628 1.00 0.00 C ATOM 1593 O VAL B 8 0.049 -6.101 -8.504 1.00 0.00 O ATOM 1594 CB VAL B 8 -3.139 -6.017 -8.936 1.00 0.00 C ATOM 1595 CG1 VAL B 8 -2.718 -7.469 -9.148 1.00 0.00 C ATOM 1596 CG2 VAL B 8 -4.542 -5.987 -8.328 1.00 0.00 C ATOM 0 H VAL B 8 -3.536 -3.715 -8.072 1.00 0.00 H new ATOM 0 HA VAL B 8 -2.068 -5.946 -7.074 1.00 0.00 H new ATOM 0 HB VAL B 8 -3.138 -5.490 -9.890 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -3.415 -7.954 -9.832 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -1.714 -7.499 -9.571 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.724 -7.993 -8.192 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -5.244 -6.468 -9.009 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -4.538 -6.519 -7.376 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -4.846 -4.953 -8.165 1.00 0.00 H new ATOM 1606 N ALA B 9 -0.514 -4.141 -9.311 1.00 0.00 N ATOM 1607 CA ALA B 9 0.824 -3.983 -9.950 1.00 0.00 C ATOM 1608 C ALA B 9 1.897 -3.996 -8.863 1.00 0.00 C ATOM 1609 O ALA B 9 2.905 -4.665 -8.981 1.00 0.00 O ATOM 1610 CB ALA B 9 0.886 -2.655 -10.707 1.00 0.00 C ATOM 0 H ALA B 9 -1.161 -3.365 -9.454 1.00 0.00 H new ATOM 0 HA ALA B 9 0.991 -4.801 -10.651 1.00 0.00 H new ATOM 0 HB1 ALA B 9 1.866 -2.546 -11.171 1.00 0.00 H new ATOM 0 HB2 ALA B 9 0.116 -2.639 -11.478 1.00 0.00 H new ATOM 0 HB3 ALA B 9 0.720 -1.832 -10.012 1.00 0.00 H new ATOM 1616 N LEU B 10 1.686 -3.271 -7.799 1.00 0.00 N ATOM 1617 CA LEU B 10 2.693 -3.255 -6.704 1.00 0.00 C ATOM 1618 C LEU B 10 3.016 -4.695 -6.318 1.00 0.00 C ATOM 1619 O LEU B 10 4.156 -5.048 -6.092 1.00 0.00 O ATOM 1620 CB LEU B 10 2.125 -2.512 -5.493 1.00 0.00 C ATOM 1621 CG LEU B 10 3.114 -1.433 -5.047 1.00 0.00 C ATOM 1622 CD1 LEU B 10 2.353 -0.290 -4.376 1.00 0.00 C ATOM 1623 CD2 LEU B 10 4.109 -2.034 -4.050 1.00 0.00 C ATOM 0 H LEU B 10 0.862 -2.691 -7.642 1.00 0.00 H new ATOM 0 HA LEU B 10 3.598 -2.747 -7.038 1.00 0.00 H new ATOM 0 HB2 LEU B 10 1.167 -2.059 -5.747 1.00 0.00 H new ATOM 0 HB3 LEU B 10 1.941 -3.211 -4.677 1.00 0.00 H new ATOM 0 HG LEU B 10 3.652 -1.053 -5.915 1.00 0.00 H new ATOM 0 HD11 LEU B 10 3.057 0.479 -4.058 1.00 0.00 H new ATOM 0 HD12 LEU B 10 1.643 0.139 -5.083 1.00 0.00 H new ATOM 0 HD13 LEU B 10 1.816 -0.671 -3.508 1.00 0.00 H new ATOM 0 HD21 LEU B 10 4.814 -1.266 -3.732 1.00 0.00 H new ATOM 0 HD22 LEU B 10 3.570 -2.414 -3.182 1.00 0.00 H new ATOM 0 HD23 LEU B 10 4.652 -2.851 -4.526 1.00 0.00 H new ATOM 1635 N ILE B 11 2.020 -5.538 -6.254 1.00 0.00 N ATOM 1636 CA ILE B 11 2.275 -6.961 -5.901 1.00 0.00 C ATOM 1637 C ILE B 11 3.259 -7.545 -6.915 1.00 0.00 C ATOM 1638 O ILE B 11 4.166 -8.276 -6.569 1.00 0.00 O ATOM 1639 CB ILE B 11 0.957 -7.742 -5.942 1.00 0.00 C ATOM 1640 CG1 ILE B 11 0.149 -7.440 -4.677 1.00 0.00 C ATOM 1641 CG2 ILE B 11 1.243 -9.246 -6.010 1.00 0.00 C ATOM 1642 CD1 ILE B 11 -0.012 -5.928 -4.517 1.00 0.00 C ATOM 0 H ILE B 11 1.044 -5.302 -6.431 1.00 0.00 H new ATOM 0 HA ILE B 11 2.695 -7.031 -4.897 1.00 0.00 H new ATOM 0 HB ILE B 11 0.391 -7.442 -6.824 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.830 -7.915 -4.737 1.00 0.00 H new ATOM 0 HG13 ILE B 11 0.652 -7.856 -3.804 1.00 0.00 H new ATOM 0 HG21 ILE B 11 0.301 -9.794 -6.039 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.819 -9.467 -6.909 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.812 -9.548 -5.131 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.588 -5.717 -3.616 1.00 0.00 H new ATOM 0 HD12 ILE B 11 0.971 -5.464 -4.437 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -0.534 -5.524 -5.384 1.00 0.00 H new ATOM 1654 N ASP B 12 3.085 -7.221 -8.167 1.00 0.00 N ATOM 1655 CA ASP B 12 4.008 -7.746 -9.209 1.00 0.00 C ATOM 1656 C ASP B 12 5.446 -7.425 -8.809 1.00 0.00 C ATOM 1657 O ASP B 12 6.296 -8.291 -8.754 1.00 0.00 O ATOM 1658 CB ASP B 12 3.686 -7.081 -10.549 1.00 0.00 C ATOM 1659 CG ASP B 12 4.321 -7.884 -11.685 1.00 0.00 C ATOM 1660 OD1 ASP B 12 3.899 -9.009 -11.897 1.00 0.00 O ATOM 1661 OD2 ASP B 12 5.218 -7.361 -12.325 1.00 0.00 O ATOM 0 H ASP B 12 2.342 -6.614 -8.513 1.00 0.00 H new ATOM 0 HA ASP B 12 3.888 -8.825 -9.303 1.00 0.00 H new ATOM 0 HB2 ASP B 12 2.606 -7.025 -10.689 1.00 0.00 H new ATOM 0 HB3 ASP B 12 4.062 -6.058 -10.559 1.00 0.00 H new ATOM 1666 N VAL B 13 5.724 -6.183 -8.526 1.00 0.00 N ATOM 1667 CA VAL B 13 7.108 -5.802 -8.126 1.00 0.00 C ATOM 1668 C VAL B 13 7.631 -6.800 -7.096 1.00 0.00 C ATOM 1669 O VAL B 13 8.801 -7.124 -7.070 1.00 0.00 O ATOM 1670 CB VAL B 13 7.102 -4.406 -7.511 1.00 0.00 C ATOM 1671 CG1 VAL B 13 8.468 -4.123 -6.892 1.00 0.00 C ATOM 1672 CG2 VAL B 13 6.826 -3.374 -8.597 1.00 0.00 C ATOM 0 H VAL B 13 5.053 -5.415 -8.554 1.00 0.00 H new ATOM 0 HA VAL B 13 7.750 -5.808 -9.007 1.00 0.00 H new ATOM 0 HB VAL B 13 6.328 -4.350 -6.745 1.00 0.00 H new ATOM 0 HG11 VAL B 13 8.468 -3.126 -6.451 1.00 0.00 H new ATOM 0 HG12 VAL B 13 8.677 -4.862 -6.118 1.00 0.00 H new ATOM 0 HG13 VAL B 13 9.236 -4.179 -7.664 1.00 0.00 H new ATOM 0 HG21 VAL B 13 6.822 -2.376 -8.158 1.00 0.00 H new ATOM 0 HG22 VAL B 13 7.603 -3.432 -9.360 1.00 0.00 H new ATOM 0 HG23 VAL B 13 5.856 -3.575 -9.052 1.00 0.00 H new ATOM 1682 N PHE B 14 6.776 -7.287 -6.240 1.00 0.00 N ATOM 1683 CA PHE B 14 7.232 -8.263 -5.215 1.00 0.00 C ATOM 1684 C PHE B 14 7.806 -9.496 -5.914 1.00 0.00 C ATOM 1685 O PHE B 14 8.896 -9.938 -5.613 1.00 0.00 O ATOM 1686 CB PHE B 14 6.053 -8.680 -4.336 1.00 0.00 C ATOM 1687 CG PHE B 14 6.579 -9.311 -3.071 1.00 0.00 C ATOM 1688 CD1 PHE B 14 6.966 -10.655 -3.067 1.00 0.00 C ATOM 1689 CD2 PHE B 14 6.684 -8.550 -1.902 1.00 0.00 C ATOM 1690 CE1 PHE B 14 7.461 -11.237 -1.894 1.00 0.00 C ATOM 1691 CE2 PHE B 14 7.177 -9.130 -0.730 1.00 0.00 C ATOM 1692 CZ PHE B 14 7.565 -10.474 -0.725 1.00 0.00 C ATOM 0 H PHE B 14 5.784 -7.051 -6.207 1.00 0.00 H new ATOM 0 HA PHE B 14 7.998 -7.802 -4.592 1.00 0.00 H new ATOM 0 HB2 PHE B 14 5.438 -7.813 -4.096 1.00 0.00 H new ATOM 0 HB3 PHE B 14 5.416 -9.384 -4.871 1.00 0.00 H new ATOM 0 HD1 PHE B 14 6.883 -11.244 -3.969 1.00 0.00 H new ATOM 0 HD2 PHE B 14 6.384 -7.513 -1.905 1.00 0.00 H new ATOM 0 HE1 PHE B 14 7.762 -12.274 -1.891 1.00 0.00 H new ATOM 0 HE2 PHE B 14 7.258 -8.541 0.171 1.00 0.00 H new ATOM 0 HZ PHE B 14 7.945 -10.923 0.181 1.00 0.00 H new ATOM 1702 N HIS B 15 7.082 -10.052 -6.846 1.00 0.00 N ATOM 1703 CA HIS B 15 7.594 -11.252 -7.563 1.00 0.00 C ATOM 1704 C HIS B 15 8.635 -10.824 -8.598 1.00 0.00 C ATOM 1705 O HIS B 15 9.180 -11.637 -9.318 1.00 0.00 O ATOM 1706 CB HIS B 15 6.439 -11.966 -8.266 1.00 0.00 C ATOM 1707 CG HIS B 15 6.730 -13.439 -8.325 1.00 0.00 C ATOM 1708 ND1 HIS B 15 6.666 -14.249 -7.203 1.00 0.00 N ATOM 1709 CD2 HIS B 15 7.099 -14.262 -9.361 1.00 0.00 C ATOM 1710 CE1 HIS B 15 6.988 -15.497 -7.586 1.00 0.00 C ATOM 1711 NE2 HIS B 15 7.260 -15.562 -8.892 1.00 0.00 N ATOM 0 H HIS B 15 6.161 -9.728 -7.141 1.00 0.00 H new ATOM 0 HA HIS B 15 8.053 -11.931 -6.844 1.00 0.00 H new ATOM 0 HB2 HIS B 15 5.506 -11.789 -7.730 1.00 0.00 H new ATOM 0 HB3 HIS B 15 6.309 -11.568 -9.273 1.00 0.00 H new ATOM 0 HD2 HIS B 15 7.242 -13.948 -10.384 1.00 0.00 H new ATOM 0 HE1 HIS B 15 7.023 -16.345 -6.918 1.00 0.00 H new ATOM 0 HE2 HIS B 15 7.528 -16.387 -9.429 1.00 0.00 H new ATOM 1719 N GLN B 16 8.925 -9.552 -8.671 1.00 0.00 N ATOM 1720 CA GLN B 16 9.939 -9.078 -9.648 1.00 0.00 C ATOM 1721 C GLN B 16 11.324 -9.418 -9.110 1.00 0.00 C ATOM 1722 O GLN B 16 12.134 -10.022 -9.784 1.00 0.00 O ATOM 1723 CB GLN B 16 9.816 -7.563 -9.821 1.00 0.00 C ATOM 1724 CG GLN B 16 10.191 -7.180 -11.254 1.00 0.00 C ATOM 1725 CD GLN B 16 8.930 -7.120 -12.116 1.00 0.00 C ATOM 1726 OE1 GLN B 16 7.835 -7.006 -11.603 1.00 0.00 O ATOM 1727 NE2 GLN B 16 9.037 -7.191 -13.415 1.00 0.00 N ATOM 0 H GLN B 16 8.502 -8.824 -8.095 1.00 0.00 H new ATOM 0 HA GLN B 16 9.782 -9.560 -10.613 1.00 0.00 H new ATOM 0 HB2 GLN B 16 8.797 -7.243 -9.603 1.00 0.00 H new ATOM 0 HB3 GLN B 16 10.469 -7.051 -9.114 1.00 0.00 H new ATOM 0 HG2 GLN B 16 10.696 -6.214 -11.263 1.00 0.00 H new ATOM 0 HG3 GLN B 16 10.890 -7.909 -11.665 1.00 0.00 H new ATOM 0 HE21 GLN B 16 9.956 -7.287 -13.847 1.00 0.00 H new ATOM 0 HE22 GLN B 16 8.201 -7.151 -13.999 1.00 0.00 H new ATOM 1736 N TYR B 17 11.596 -9.048 -7.887 1.00 0.00 N ATOM 1737 CA TYR B 17 12.919 -9.363 -7.294 1.00 0.00 C ATOM 1738 C TYR B 17 12.732 -9.841 -5.852 1.00 0.00 C ATOM 1739 O TYR B 17 13.139 -9.187 -4.912 1.00 0.00 O ATOM 1740 CB TYR B 17 13.824 -8.128 -7.315 1.00 0.00 C ATOM 1741 CG TYR B 17 13.011 -6.850 -7.299 1.00 0.00 C ATOM 1742 CD1 TYR B 17 12.010 -6.650 -6.338 1.00 0.00 C ATOM 1743 CD2 TYR B 17 13.284 -5.848 -8.239 1.00 0.00 C ATOM 1744 CE1 TYR B 17 11.287 -5.450 -6.322 1.00 0.00 C ATOM 1745 CE2 TYR B 17 12.558 -4.653 -8.223 1.00 0.00 C ATOM 1746 CZ TYR B 17 11.562 -4.453 -7.265 1.00 0.00 C ATOM 1747 OH TYR B 17 10.853 -3.271 -7.250 1.00 0.00 O ATOM 0 H TYR B 17 10.956 -8.541 -7.276 1.00 0.00 H new ATOM 0 HA TYR B 17 13.390 -10.150 -7.883 1.00 0.00 H new ATOM 0 HB2 TYR B 17 14.491 -8.148 -6.453 1.00 0.00 H new ATOM 0 HB3 TYR B 17 14.453 -8.150 -8.205 1.00 0.00 H new ATOM 0 HD1 TYR B 17 11.797 -7.420 -5.611 1.00 0.00 H new ATOM 0 HD2 TYR B 17 14.057 -5.999 -8.978 1.00 0.00 H new ATOM 0 HE1 TYR B 17 10.517 -5.294 -5.581 1.00 0.00 H new ATOM 0 HE2 TYR B 17 12.768 -3.884 -8.952 1.00 0.00 H new ATOM 0 HH TYR B 17 11.172 -2.689 -7.971 1.00 0.00 H new ATOM 1757 N SER B 18 12.125 -10.981 -5.674 1.00 0.00 N ATOM 1758 CA SER B 18 11.915 -11.512 -4.297 1.00 0.00 C ATOM 1759 C SER B 18 12.466 -12.936 -4.222 1.00 0.00 C ATOM 1760 O SER B 18 13.006 -13.353 -3.217 1.00 0.00 O ATOM 1761 CB SER B 18 10.420 -11.527 -3.975 1.00 0.00 C ATOM 1762 OG SER B 18 10.189 -12.374 -2.856 1.00 0.00 O ATOM 0 H SER B 18 11.764 -11.570 -6.425 1.00 0.00 H new ATOM 0 HA SER B 18 12.431 -10.877 -3.577 1.00 0.00 H new ATOM 0 HB2 SER B 18 10.073 -10.517 -3.759 1.00 0.00 H new ATOM 0 HB3 SER B 18 9.854 -11.881 -4.837 1.00 0.00 H new ATOM 0 HG SER B 18 10.329 -11.868 -2.028 1.00 0.00 H new ATOM 1768 N GLY B 19 12.333 -13.686 -5.283 1.00 0.00 N ATOM 1769 CA GLY B 19 12.847 -15.082 -5.280 1.00 0.00 C ATOM 1770 C GLY B 19 14.232 -15.119 -5.928 1.00 0.00 C ATOM 1771 O GLY B 19 14.986 -16.055 -5.749 1.00 0.00 O ATOM 0 H GLY B 19 11.889 -13.390 -6.152 1.00 0.00 H new ATOM 0 HA2 GLY B 19 12.902 -15.458 -4.258 1.00 0.00 H new ATOM 0 HA3 GLY B 19 12.163 -15.734 -5.823 1.00 0.00 H new ATOM 1775 N ARG B 20 14.573 -14.109 -6.680 1.00 0.00 N ATOM 1776 CA ARG B 20 15.911 -14.086 -7.336 1.00 0.00 C ATOM 1777 C ARG B 20 16.973 -13.696 -6.310 1.00 0.00 C ATOM 1778 O ARG B 20 18.019 -14.306 -6.219 1.00 0.00 O ATOM 1779 CB ARG B 20 15.906 -13.065 -8.477 1.00 0.00 C ATOM 1780 CG ARG B 20 14.982 -13.550 -9.597 1.00 0.00 C ATOM 1781 CD ARG B 20 14.896 -12.479 -10.688 1.00 0.00 C ATOM 1782 NE ARG B 20 16.105 -12.553 -11.554 1.00 0.00 N ATOM 1783 CZ ARG B 20 16.009 -13.009 -12.773 1.00 0.00 C ATOM 1784 NH1 ARG B 20 15.496 -12.263 -13.714 1.00 0.00 N ATOM 1785 NH2 ARG B 20 16.428 -14.213 -13.054 1.00 0.00 N ATOM 0 H ARG B 20 13.983 -13.299 -6.869 1.00 0.00 H new ATOM 0 HA ARG B 20 16.135 -15.075 -7.736 1.00 0.00 H new ATOM 0 HB2 ARG B 20 15.570 -12.095 -8.109 1.00 0.00 H new ATOM 0 HB3 ARG B 20 16.917 -12.928 -8.860 1.00 0.00 H new ATOM 0 HG2 ARG B 20 15.360 -14.482 -10.017 1.00 0.00 H new ATOM 0 HG3 ARG B 20 13.989 -13.759 -9.199 1.00 0.00 H new ATOM 0 HD2 ARG B 20 13.997 -12.626 -11.287 1.00 0.00 H new ATOM 0 HD3 ARG B 20 14.819 -11.490 -10.236 1.00 0.00 H new ATOM 0 HE ARG B 20 17.009 -12.247 -11.194 1.00 0.00 H new ATOM 0 HH11 ARG B 20 15.169 -11.321 -13.497 1.00 0.00 H new ATOM 0 HH12 ARG B 20 15.422 -12.622 -14.666 1.00 0.00 H new ATOM 0 HH21 ARG B 20 16.830 -14.797 -12.321 1.00 0.00 H new ATOM 0 HH22 ARG B 20 16.353 -14.570 -14.007 1.00 0.00 H new ATOM 1799 N GLU B 21 16.709 -12.684 -5.534 1.00 0.00 N ATOM 1800 CA GLU B 21 17.700 -12.251 -4.507 1.00 0.00 C ATOM 1801 C GLU B 21 17.575 -13.148 -3.275 1.00 0.00 C ATOM 1802 O GLU B 21 18.416 -13.986 -3.019 1.00 0.00 O ATOM 1803 CB GLU B 21 17.426 -10.798 -4.111 1.00 0.00 C ATOM 1804 CG GLU B 21 18.751 -10.078 -3.862 1.00 0.00 C ATOM 1805 CD GLU B 21 18.590 -8.590 -4.177 1.00 0.00 C ATOM 1806 OE1 GLU B 21 18.766 -8.227 -5.328 1.00 0.00 O ATOM 1807 OE2 GLU B 21 18.291 -7.840 -3.263 1.00 0.00 O ATOM 0 H GLU B 21 15.849 -12.136 -5.565 1.00 0.00 H new ATOM 0 HA GLU B 21 18.707 -12.330 -4.916 1.00 0.00 H new ATOM 0 HB2 GLU B 21 16.869 -10.294 -4.901 1.00 0.00 H new ATOM 0 HB3 GLU B 21 16.808 -10.765 -3.214 1.00 0.00 H new ATOM 0 HG2 GLU B 21 19.059 -10.210 -2.825 1.00 0.00 H new ATOM 0 HG3 GLU B 21 19.534 -10.510 -4.485 1.00 0.00 H new ATOM 1814 N GLY B 22 16.529 -12.983 -2.514 1.00 0.00 N ATOM 1815 CA GLY B 22 16.347 -13.830 -1.302 1.00 0.00 C ATOM 1816 C GLY B 22 15.971 -15.249 -1.730 1.00 0.00 C ATOM 1817 O GLY B 22 16.642 -15.860 -2.537 1.00 0.00 O ATOM 0 H GLY B 22 15.792 -12.298 -2.679 1.00 0.00 H new ATOM 0 HA2 GLY B 22 17.265 -13.846 -0.714 1.00 0.00 H new ATOM 0 HA3 GLY B 22 15.568 -13.411 -0.665 1.00 0.00 H new ATOM 1821 N ASP B 23 14.903 -15.778 -1.201 1.00 0.00 N ATOM 1822 CA ASP B 23 14.487 -17.155 -1.584 1.00 0.00 C ATOM 1823 C ASP B 23 13.155 -17.096 -2.336 1.00 0.00 C ATOM 1824 O ASP B 23 13.059 -17.501 -3.477 1.00 0.00 O ATOM 1825 CB ASP B 23 14.326 -18.010 -0.326 1.00 0.00 C ATOM 1826 CG ASP B 23 14.443 -19.491 -0.696 1.00 0.00 C ATOM 1827 OD1 ASP B 23 14.796 -19.772 -1.829 1.00 0.00 O ATOM 1828 OD2 ASP B 23 14.178 -20.317 0.161 1.00 0.00 O ATOM 0 H ASP B 23 14.301 -15.316 -0.520 1.00 0.00 H new ATOM 0 HA ASP B 23 15.248 -17.597 -2.227 1.00 0.00 H new ATOM 0 HB2 ASP B 23 15.089 -17.746 0.406 1.00 0.00 H new ATOM 0 HB3 ASP B 23 13.359 -17.815 0.137 1.00 0.00 H new ATOM 1833 N LYS B 24 12.129 -16.595 -1.704 1.00 0.00 N ATOM 1834 CA LYS B 24 10.803 -16.511 -2.382 1.00 0.00 C ATOM 1835 C LYS B 24 9.721 -16.209 -1.341 1.00 0.00 C ATOM 1836 O LYS B 24 9.788 -16.667 -0.219 1.00 0.00 O ATOM 1837 CB LYS B 24 10.503 -17.848 -3.072 1.00 0.00 C ATOM 1838 CG LYS B 24 9.012 -17.946 -3.402 1.00 0.00 C ATOM 1839 CD LYS B 24 8.802 -19.002 -4.489 1.00 0.00 C ATOM 1840 CE LYS B 24 8.972 -20.394 -3.883 1.00 0.00 C ATOM 1841 NZ LYS B 24 8.912 -21.418 -4.965 1.00 0.00 N ATOM 0 H LYS B 24 12.151 -16.240 -0.748 1.00 0.00 H new ATOM 0 HA LYS B 24 10.817 -15.716 -3.127 1.00 0.00 H new ATOM 0 HB2 LYS B 24 11.092 -17.935 -3.985 1.00 0.00 H new ATOM 0 HB3 LYS B 24 10.795 -18.674 -2.424 1.00 0.00 H new ATOM 0 HG2 LYS B 24 8.447 -18.210 -2.508 1.00 0.00 H new ATOM 0 HG3 LYS B 24 8.639 -16.980 -3.741 1.00 0.00 H new ATOM 0 HD2 LYS B 24 7.807 -18.901 -4.922 1.00 0.00 H new ATOM 0 HD3 LYS B 24 9.518 -18.855 -5.297 1.00 0.00 H new ATOM 0 HE2 LYS B 24 9.925 -20.460 -3.358 1.00 0.00 H new ATOM 0 HE3 LYS B 24 8.189 -20.580 -3.148 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 9.028 -22.366 -4.553 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 7.992 -21.360 -5.447 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 9.674 -21.243 -5.651 1.00 0.00 H new ATOM 1855 N HIS B 25 8.724 -15.447 -1.707 1.00 0.00 N ATOM 1856 CA HIS B 25 7.633 -15.119 -0.744 1.00 0.00 C ATOM 1857 C HIS B 25 8.199 -14.287 0.417 1.00 0.00 C ATOM 1858 O HIS B 25 7.553 -14.084 1.427 1.00 0.00 O ATOM 1859 CB HIS B 25 7.014 -16.429 -0.233 1.00 0.00 C ATOM 1860 CG HIS B 25 6.250 -16.193 1.044 1.00 0.00 C ATOM 1861 ND1 HIS B 25 6.825 -16.376 2.293 1.00 0.00 N ATOM 1862 CD2 HIS B 25 4.958 -15.798 1.280 1.00 0.00 C ATOM 1863 CE1 HIS B 25 5.888 -16.093 3.215 1.00 0.00 C ATOM 1864 NE2 HIS B 25 4.731 -15.735 2.653 1.00 0.00 N ATOM 0 H HIS B 25 8.619 -15.037 -2.635 1.00 0.00 H new ATOM 0 HA HIS B 25 6.859 -14.529 -1.236 1.00 0.00 H new ATOM 0 HB2 HIS B 25 6.348 -16.842 -0.990 1.00 0.00 H new ATOM 0 HB3 HIS B 25 7.799 -17.166 -0.062 1.00 0.00 H new ATOM 0 HD1 HIS B 25 7.784 -16.671 2.478 1.00 0.00 H new ATOM 0 HD2 HIS B 25 4.228 -15.570 0.518 1.00 0.00 H new ATOM 0 HE1 HIS B 25 6.052 -16.149 4.281 1.00 0.00 H new ATOM 1872 N LYS B 26 9.397 -13.786 0.284 1.00 0.00 N ATOM 1873 CA LYS B 26 9.974 -12.962 1.386 1.00 0.00 C ATOM 1874 C LYS B 26 10.736 -11.771 0.803 1.00 0.00 C ATOM 1875 O LYS B 26 10.986 -11.697 -0.384 1.00 0.00 O ATOM 1876 CB LYS B 26 10.928 -13.814 2.227 1.00 0.00 C ATOM 1877 CG LYS B 26 10.440 -15.263 2.243 1.00 0.00 C ATOM 1878 CD LYS B 26 10.995 -15.980 3.476 1.00 0.00 C ATOM 1879 CE LYS B 26 10.920 -17.493 3.261 1.00 0.00 C ATOM 1880 NZ LYS B 26 12.099 -18.141 3.899 1.00 0.00 N ATOM 0 H LYS B 26 9.997 -13.909 -0.532 1.00 0.00 H new ATOM 0 HA LYS B 26 9.163 -12.597 2.016 1.00 0.00 H new ATOM 0 HB2 LYS B 26 11.936 -13.763 1.816 1.00 0.00 H new ATOM 0 HB3 LYS B 26 10.979 -13.425 3.244 1.00 0.00 H new ATOM 0 HG2 LYS B 26 9.350 -15.290 2.254 1.00 0.00 H new ATOM 0 HG3 LYS B 26 10.762 -15.776 1.337 1.00 0.00 H new ATOM 0 HD2 LYS B 26 12.027 -15.677 3.652 1.00 0.00 H new ATOM 0 HD3 LYS B 26 10.425 -15.699 4.361 1.00 0.00 H new ATOM 0 HE2 LYS B 26 9.998 -17.887 3.689 1.00 0.00 H new ATOM 0 HE3 LYS B 26 10.899 -17.720 2.195 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 12.050 -19.170 3.754 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 12.972 -17.772 3.471 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 12.099 -17.935 4.918 1.00 0.00 H new ATOM 1894 N LEU B 27 11.109 -10.839 1.638 1.00 0.00 N ATOM 1895 CA LEU B 27 11.858 -9.646 1.153 1.00 0.00 C ATOM 1896 C LEU B 27 13.072 -9.416 2.053 1.00 0.00 C ATOM 1897 O LEU B 27 13.460 -10.277 2.819 1.00 0.00 O ATOM 1898 CB LEU B 27 10.948 -8.417 1.204 1.00 0.00 C ATOM 1899 CG LEU B 27 10.645 -7.944 -0.219 1.00 0.00 C ATOM 1900 CD1 LEU B 27 11.913 -7.354 -0.838 1.00 0.00 C ATOM 1901 CD2 LEU B 27 10.171 -9.130 -1.061 1.00 0.00 C ATOM 0 H LEU B 27 10.925 -10.854 2.641 1.00 0.00 H new ATOM 0 HA LEU B 27 12.186 -9.812 0.127 1.00 0.00 H new ATOM 0 HB2 LEU B 27 10.021 -8.660 1.723 1.00 0.00 H new ATOM 0 HB3 LEU B 27 11.429 -7.619 1.769 1.00 0.00 H new ATOM 0 HG LEU B 27 9.864 -7.184 -0.192 1.00 0.00 H new ATOM 0 HD11 LEU B 27 11.700 -7.016 -1.852 1.00 0.00 H new ATOM 0 HD12 LEU B 27 12.252 -6.509 -0.238 1.00 0.00 H new ATOM 0 HD13 LEU B 27 12.693 -8.115 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU B 27 9.955 -8.793 -2.075 1.00 0.00 H new ATOM 0 HD22 LEU B 27 10.951 -9.891 -1.090 1.00 0.00 H new ATOM 0 HD23 LEU B 27 9.269 -9.552 -0.619 1.00 0.00 H new ATOM 1913 N LYS B 28 13.677 -8.264 1.972 1.00 0.00 N ATOM 1914 CA LYS B 28 14.864 -7.988 2.827 1.00 0.00 C ATOM 1915 C LYS B 28 14.942 -6.494 3.137 1.00 0.00 C ATOM 1916 O LYS B 28 14.230 -5.693 2.566 1.00 0.00 O ATOM 1917 CB LYS B 28 16.127 -8.421 2.086 1.00 0.00 C ATOM 1918 CG LYS B 28 16.969 -9.304 3.002 1.00 0.00 C ATOM 1919 CD LYS B 28 18.126 -9.910 2.206 1.00 0.00 C ATOM 1920 CE LYS B 28 19.300 -10.188 3.146 1.00 0.00 C ATOM 1921 NZ LYS B 28 20.381 -9.196 2.896 1.00 0.00 N ATOM 0 H LYS B 28 13.401 -7.503 1.352 1.00 0.00 H new ATOM 0 HA LYS B 28 14.776 -8.543 3.761 1.00 0.00 H new ATOM 0 HB2 LYS B 28 15.862 -8.965 1.179 1.00 0.00 H new ATOM 0 HB3 LYS B 28 16.700 -7.546 1.777 1.00 0.00 H new ATOM 0 HG2 LYS B 28 17.355 -8.717 3.835 1.00 0.00 H new ATOM 0 HG3 LYS B 28 16.353 -10.096 3.428 1.00 0.00 H new ATOM 0 HD2 LYS B 28 17.806 -10.834 1.724 1.00 0.00 H new ATOM 0 HD3 LYS B 28 18.434 -9.227 1.414 1.00 0.00 H new ATOM 0 HE2 LYS B 28 18.971 -10.130 4.183 1.00 0.00 H new ATOM 0 HE3 LYS B 28 19.675 -11.199 2.987 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 21.086 -9.251 3.659 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 20.839 -9.404 1.986 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 19.975 -8.239 2.869 1.00 0.00 H new ATOM 1935 N LYS B 29 15.807 -6.111 4.038 1.00 0.00 N ATOM 1936 CA LYS B 29 15.932 -4.667 4.381 1.00 0.00 C ATOM 1937 C LYS B 29 16.773 -3.967 3.315 1.00 0.00 C ATOM 1938 O LYS B 29 16.648 -2.781 3.095 1.00 0.00 O ATOM 1939 CB LYS B 29 16.610 -4.520 5.745 1.00 0.00 C ATOM 1940 CG LYS B 29 15.938 -5.456 6.749 1.00 0.00 C ATOM 1941 CD LYS B 29 14.431 -5.201 6.746 1.00 0.00 C ATOM 1942 CE LYS B 29 13.843 -5.596 8.101 1.00 0.00 C ATOM 1943 NZ LYS B 29 13.006 -4.479 8.621 1.00 0.00 N ATOM 0 H LYS B 29 16.431 -6.735 4.550 1.00 0.00 H new ATOM 0 HA LYS B 29 14.941 -4.215 4.421 1.00 0.00 H new ATOM 0 HB2 LYS B 29 17.671 -4.757 5.664 1.00 0.00 H new ATOM 0 HB3 LYS B 29 16.539 -3.488 6.089 1.00 0.00 H new ATOM 0 HG2 LYS B 29 16.143 -6.495 6.489 1.00 0.00 H new ATOM 0 HG3 LYS B 29 16.345 -5.290 7.747 1.00 0.00 H new ATOM 0 HD2 LYS B 29 14.230 -4.149 6.543 1.00 0.00 H new ATOM 0 HD3 LYS B 29 13.956 -5.775 5.950 1.00 0.00 H new ATOM 0 HE2 LYS B 29 13.241 -6.499 7.999 1.00 0.00 H new ATOM 0 HE3 LYS B 29 14.643 -5.824 8.805 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 12.605 -4.746 9.543 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 13.593 -3.628 8.732 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 12.235 -4.283 7.952 1.00 0.00 H new ATOM 1957 N SER B 30 17.628 -4.694 2.651 1.00 0.00 N ATOM 1958 CA SER B 30 18.476 -4.073 1.594 1.00 0.00 C ATOM 1959 C SER B 30 17.662 -3.925 0.307 1.00 0.00 C ATOM 1960 O SER B 30 17.773 -2.944 -0.400 1.00 0.00 O ATOM 1961 CB SER B 30 19.693 -4.960 1.329 1.00 0.00 C ATOM 1962 OG SER B 30 19.350 -6.315 1.585 1.00 0.00 O ATOM 0 H SER B 30 17.777 -5.693 2.795 1.00 0.00 H new ATOM 0 HA SER B 30 18.809 -3.090 1.928 1.00 0.00 H new ATOM 0 HB2 SER B 30 20.023 -4.845 0.297 1.00 0.00 H new ATOM 0 HB3 SER B 30 20.524 -4.657 1.965 1.00 0.00 H new ATOM 0 HG SER B 30 20.127 -6.887 1.415 1.00 0.00 H new ATOM 1968 N GLU B 31 16.833 -4.886 0.001 1.00 0.00 N ATOM 1969 CA GLU B 31 16.006 -4.788 -1.230 1.00 0.00 C ATOM 1970 C GLU B 31 14.769 -3.960 -0.905 1.00 0.00 C ATOM 1971 O GLU B 31 14.126 -3.412 -1.776 1.00 0.00 O ATOM 1972 CB GLU B 31 15.592 -6.188 -1.686 1.00 0.00 C ATOM 1973 CG GLU B 31 15.075 -6.127 -3.124 1.00 0.00 C ATOM 1974 CD GLU B 31 14.089 -7.271 -3.362 1.00 0.00 C ATOM 1975 OE1 GLU B 31 14.452 -8.404 -3.097 1.00 0.00 O ATOM 1976 OE2 GLU B 31 12.987 -6.994 -3.806 1.00 0.00 O ATOM 0 H GLU B 31 16.694 -5.733 0.552 1.00 0.00 H new ATOM 0 HA GLU B 31 16.573 -4.316 -2.032 1.00 0.00 H new ATOM 0 HB2 GLU B 31 16.441 -6.868 -1.623 1.00 0.00 H new ATOM 0 HB3 GLU B 31 14.818 -6.582 -1.027 1.00 0.00 H new ATOM 0 HG2 GLU B 31 14.587 -5.169 -3.306 1.00 0.00 H new ATOM 0 HG3 GLU B 31 15.907 -6.199 -3.824 1.00 0.00 H new ATOM 1983 N LEU B 32 14.445 -3.851 0.354 1.00 0.00 N ATOM 1984 CA LEU B 32 13.271 -3.035 0.754 1.00 0.00 C ATOM 1985 C LEU B 32 13.705 -1.572 0.781 1.00 0.00 C ATOM 1986 O LEU B 32 12.974 -0.684 0.397 1.00 0.00 O ATOM 1987 CB LEU B 32 12.800 -3.458 2.146 1.00 0.00 C ATOM 1988 CG LEU B 32 11.800 -2.433 2.682 1.00 0.00 C ATOM 1989 CD1 LEU B 32 10.624 -2.314 1.712 1.00 0.00 C ATOM 1990 CD2 LEU B 32 11.289 -2.888 4.050 1.00 0.00 C ATOM 0 H LEU B 32 14.946 -4.295 1.123 1.00 0.00 H new ATOM 0 HA LEU B 32 12.451 -3.176 0.050 1.00 0.00 H new ATOM 0 HB2 LEU B 32 12.337 -4.444 2.100 1.00 0.00 H new ATOM 0 HB3 LEU B 32 13.652 -3.537 2.821 1.00 0.00 H new ATOM 0 HG LEU B 32 12.289 -1.464 2.781 1.00 0.00 H new ATOM 0 HD11 LEU B 32 9.910 -1.584 2.093 1.00 0.00 H new ATOM 0 HD12 LEU B 32 10.988 -1.991 0.737 1.00 0.00 H new ATOM 0 HD13 LEU B 32 10.134 -3.283 1.614 1.00 0.00 H new ATOM 0 HD21 LEU B 32 10.576 -2.158 4.433 1.00 0.00 H new ATOM 0 HD22 LEU B 32 10.799 -3.857 3.952 1.00 0.00 H new ATOM 0 HD23 LEU B 32 12.127 -2.974 4.741 1.00 0.00 H new ATOM 2002 N LYS B 33 14.908 -1.326 1.227 1.00 0.00 N ATOM 2003 CA LYS B 33 15.427 0.067 1.282 1.00 0.00 C ATOM 2004 C LYS B 33 15.531 0.616 -0.137 1.00 0.00 C ATOM 2005 O LYS B 33 15.317 1.785 -0.384 1.00 0.00 O ATOM 2006 CB LYS B 33 16.814 0.054 1.922 1.00 0.00 C ATOM 2007 CG LYS B 33 17.055 1.372 2.659 1.00 0.00 C ATOM 2008 CD LYS B 33 18.556 1.569 2.878 1.00 0.00 C ATOM 2009 CE LYS B 33 18.831 3.030 3.234 1.00 0.00 C ATOM 2010 NZ LYS B 33 19.506 3.102 4.561 1.00 0.00 N ATOM 0 H LYS B 33 15.558 -2.039 1.558 1.00 0.00 H new ATOM 0 HA LYS B 33 14.755 0.693 1.869 1.00 0.00 H new ATOM 0 HB2 LYS B 33 16.897 -0.782 2.616 1.00 0.00 H new ATOM 0 HB3 LYS B 33 17.577 -0.090 1.157 1.00 0.00 H new ATOM 0 HG2 LYS B 33 16.649 2.203 2.082 1.00 0.00 H new ATOM 0 HG3 LYS B 33 16.535 1.365 3.617 1.00 0.00 H new ATOM 0 HD2 LYS B 33 18.907 0.916 3.678 1.00 0.00 H new ATOM 0 HD3 LYS B 33 19.105 1.293 1.978 1.00 0.00 H new ATOM 0 HE2 LYS B 33 19.458 3.489 2.470 1.00 0.00 H new ATOM 0 HE3 LYS B 33 17.897 3.591 3.259 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 19.693 4.096 4.802 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 18.892 2.679 5.286 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 20.405 2.581 4.522 1.00 0.00 H new ATOM 2024 N GLU B 34 15.850 -0.230 -1.074 1.00 0.00 N ATOM 2025 CA GLU B 34 15.962 0.224 -2.483 1.00 0.00 C ATOM 2026 C GLU B 34 14.557 0.300 -3.069 1.00 0.00 C ATOM 2027 O GLU B 34 14.195 1.228 -3.762 1.00 0.00 O ATOM 2028 CB GLU B 34 16.820 -0.785 -3.266 1.00 0.00 C ATOM 2029 CG GLU B 34 15.972 -1.975 -3.728 1.00 0.00 C ATOM 2030 CD GLU B 34 16.792 -2.839 -4.687 1.00 0.00 C ATOM 2031 OE1 GLU B 34 17.680 -2.300 -5.325 1.00 0.00 O ATOM 2032 OE2 GLU B 34 16.518 -4.026 -4.766 1.00 0.00 O ATOM 0 H GLU B 34 16.039 -1.221 -0.922 1.00 0.00 H new ATOM 0 HA GLU B 34 16.435 1.204 -2.543 1.00 0.00 H new ATOM 0 HB2 GLU B 34 17.269 -0.295 -4.130 1.00 0.00 H new ATOM 0 HB3 GLU B 34 17.639 -1.137 -2.639 1.00 0.00 H new ATOM 0 HG2 GLU B 34 15.655 -2.566 -2.869 1.00 0.00 H new ATOM 0 HG3 GLU B 34 15.067 -1.621 -4.222 1.00 0.00 H new ATOM 2039 N LEU B 35 13.765 -0.680 -2.771 1.00 0.00 N ATOM 2040 CA LEU B 35 12.373 -0.710 -3.276 1.00 0.00 C ATOM 2041 C LEU B 35 11.742 0.668 -3.098 1.00 0.00 C ATOM 2042 O LEU B 35 11.184 1.234 -4.019 1.00 0.00 O ATOM 2043 CB LEU B 35 11.586 -1.748 -2.475 1.00 0.00 C ATOM 2044 CG LEU B 35 10.782 -2.624 -3.432 1.00 0.00 C ATOM 2045 CD1 LEU B 35 9.943 -1.737 -4.351 1.00 0.00 C ATOM 2046 CD2 LEU B 35 11.742 -3.465 -4.273 1.00 0.00 C ATOM 0 H LEU B 35 14.027 -1.476 -2.189 1.00 0.00 H new ATOM 0 HA LEU B 35 12.360 -0.973 -4.334 1.00 0.00 H new ATOM 0 HB2 LEU B 35 12.267 -2.363 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU B 35 10.918 -1.251 -1.772 1.00 0.00 H new ATOM 0 HG LEU B 35 10.124 -3.280 -2.862 1.00 0.00 H new ATOM 0 HD11 LEU B 35 9.369 -2.362 -5.035 1.00 0.00 H new ATOM 0 HD12 LEU B 35 9.261 -1.134 -3.751 1.00 0.00 H new ATOM 0 HD13 LEU B 35 10.600 -1.082 -4.923 1.00 0.00 H new ATOM 0 HD21 LEU B 35 11.172 -4.092 -4.958 1.00 0.00 H new ATOM 0 HD22 LEU B 35 12.398 -2.807 -4.844 1.00 0.00 H new ATOM 0 HD23 LEU B 35 12.342 -4.096 -3.618 1.00 0.00 H new ATOM 2058 N ILE B 36 11.828 1.216 -1.919 1.00 0.00 N ATOM 2059 CA ILE B 36 11.229 2.557 -1.676 1.00 0.00 C ATOM 2060 C ILE B 36 12.148 3.646 -2.226 1.00 0.00 C ATOM 2061 O ILE B 36 11.721 4.532 -2.939 1.00 0.00 O ATOM 2062 CB ILE B 36 11.047 2.782 -0.172 1.00 0.00 C ATOM 2063 CG1 ILE B 36 10.880 1.431 0.539 1.00 0.00 C ATOM 2064 CG2 ILE B 36 9.813 3.659 0.058 1.00 0.00 C ATOM 2065 CD1 ILE B 36 10.132 1.612 1.864 1.00 0.00 C ATOM 0 H ILE B 36 12.287 0.793 -1.113 1.00 0.00 H new ATOM 0 HA ILE B 36 10.262 2.602 -2.177 1.00 0.00 H new ATOM 0 HB ILE B 36 11.925 3.283 0.235 1.00 0.00 H new ATOM 0 HG12 ILE B 36 10.333 0.740 -0.103 1.00 0.00 H new ATOM 0 HG13 ILE B 36 11.858 0.987 0.724 1.00 0.00 H new ATOM 0 HG21 ILE B 36 9.677 3.823 1.127 1.00 0.00 H new ATOM 0 HG22 ILE B 36 9.950 4.618 -0.442 1.00 0.00 H new ATOM 0 HG23 ILE B 36 8.932 3.161 -0.347 1.00 0.00 H new ATOM 0 HD11 ILE B 36 10.022 0.645 2.355 1.00 0.00 H new ATOM 0 HD12 ILE B 36 10.695 2.285 2.511 1.00 0.00 H new ATOM 0 HD13 ILE B 36 9.146 2.035 1.670 1.00 0.00 H new ATOM 2077 N ASN B 37 13.406 3.594 -1.890 1.00 0.00 N ATOM 2078 CA ASN B 37 14.348 4.636 -2.378 1.00 0.00 C ATOM 2079 C ASN B 37 14.622 4.433 -3.869 1.00 0.00 C ATOM 2080 O ASN B 37 14.231 5.226 -4.696 1.00 0.00 O ATOM 2081 CB ASN B 37 15.661 4.540 -1.600 1.00 0.00 C ATOM 2082 CG ASN B 37 16.490 5.801 -1.840 1.00 0.00 C ATOM 2083 OD1 ASN B 37 16.976 6.022 -2.932 1.00 0.00 O ATOM 2084 ND2 ASN B 37 16.673 6.644 -0.861 1.00 0.00 N ATOM 0 H ASN B 37 13.822 2.875 -1.298 1.00 0.00 H new ATOM 0 HA ASN B 37 13.904 5.620 -2.227 1.00 0.00 H new ATOM 0 HB2 ASN B 37 15.457 4.423 -0.536 1.00 0.00 H new ATOM 0 HB3 ASN B 37 16.220 3.659 -1.916 1.00 0.00 H new ATOM 0 HD21 ASN B 37 17.224 7.489 -1.012 1.00 0.00 H new ATOM 0 HD22 ASN B 37 16.265 6.458 0.055 1.00 0.00 H new ATOM 2091 N ASN B 38 15.299 3.381 -4.223 1.00 0.00 N ATOM 2092 CA ASN B 38 15.600 3.149 -5.664 1.00 0.00 C ATOM 2093 C ASN B 38 14.359 3.426 -6.522 1.00 0.00 C ATOM 2094 O ASN B 38 14.466 3.689 -7.703 1.00 0.00 O ATOM 2095 CB ASN B 38 16.047 1.699 -5.872 1.00 0.00 C ATOM 2096 CG ASN B 38 16.227 1.432 -7.368 1.00 0.00 C ATOM 2097 OD1 ASN B 38 17.336 1.303 -7.844 1.00 0.00 O ATOM 2098 ND2 ASN B 38 15.174 1.339 -8.133 1.00 0.00 N ATOM 0 H ASN B 38 15.657 2.673 -3.582 1.00 0.00 H new ATOM 0 HA ASN B 38 16.398 3.827 -5.966 1.00 0.00 H new ATOM 0 HB2 ASN B 38 16.983 1.516 -5.344 1.00 0.00 H new ATOM 0 HB3 ASN B 38 15.307 1.015 -5.456 1.00 0.00 H new ATOM 0 HD21 ASN B 38 15.283 1.158 -9.131 1.00 0.00 H new ATOM 0 HD22 ASN B 38 14.242 1.447 -7.733 1.00 0.00 H new ATOM 2105 N GLU B 39 13.181 3.354 -5.957 1.00 0.00 N ATOM 2106 CA GLU B 39 11.960 3.597 -6.780 1.00 0.00 C ATOM 2107 C GLU B 39 11.287 4.932 -6.419 1.00 0.00 C ATOM 2108 O GLU B 39 11.370 5.892 -7.159 1.00 0.00 O ATOM 2109 CB GLU B 39 10.973 2.452 -6.555 1.00 0.00 C ATOM 2110 CG GLU B 39 11.699 1.116 -6.729 1.00 0.00 C ATOM 2111 CD GLU B 39 11.752 0.754 -8.214 1.00 0.00 C ATOM 2112 OE1 GLU B 39 10.761 0.973 -8.893 1.00 0.00 O ATOM 2113 OE2 GLU B 39 12.781 0.267 -8.649 1.00 0.00 O ATOM 0 H GLU B 39 13.013 3.140 -4.974 1.00 0.00 H new ATOM 0 HA GLU B 39 12.258 3.646 -7.827 1.00 0.00 H new ATOM 0 HB2 GLU B 39 10.544 2.518 -5.555 1.00 0.00 H new ATOM 0 HB3 GLU B 39 10.147 2.525 -7.262 1.00 0.00 H new ATOM 0 HG2 GLU B 39 12.709 1.183 -6.324 1.00 0.00 H new ATOM 0 HG3 GLU B 39 11.183 0.334 -6.171 1.00 0.00 H new ATOM 2120 N LEU B 40 10.586 4.992 -5.318 1.00 0.00 N ATOM 2121 CA LEU B 40 9.868 6.247 -4.947 1.00 0.00 C ATOM 2122 C LEU B 40 10.839 7.390 -4.617 1.00 0.00 C ATOM 2123 O LEU B 40 10.438 8.531 -4.515 1.00 0.00 O ATOM 2124 CB LEU B 40 8.975 5.966 -3.738 1.00 0.00 C ATOM 2125 CG LEU B 40 8.163 4.681 -3.971 1.00 0.00 C ATOM 2126 CD1 LEU B 40 6.898 4.720 -3.117 1.00 0.00 C ATOM 2127 CD2 LEU B 40 7.759 4.565 -5.447 1.00 0.00 C ATOM 0 H LEU B 40 10.479 4.223 -4.657 1.00 0.00 H new ATOM 0 HA LEU B 40 9.270 6.563 -5.802 1.00 0.00 H new ATOM 0 HB2 LEU B 40 9.585 5.863 -2.841 1.00 0.00 H new ATOM 0 HB3 LEU B 40 8.301 6.806 -3.570 1.00 0.00 H new ATOM 0 HG LEU B 40 8.778 3.824 -3.697 1.00 0.00 H new ATOM 0 HD11 LEU B 40 6.321 3.810 -3.280 1.00 0.00 H new ATOM 0 HD12 LEU B 40 7.172 4.792 -2.064 1.00 0.00 H new ATOM 0 HD13 LEU B 40 6.297 5.586 -3.396 1.00 0.00 H new ATOM 0 HD21 LEU B 40 7.185 3.651 -5.596 1.00 0.00 H new ATOM 0 HD22 LEU B 40 7.151 5.425 -5.726 1.00 0.00 H new ATOM 0 HD23 LEU B 40 8.654 4.537 -6.068 1.00 0.00 H new ATOM 2139 N SER B 41 12.098 7.112 -4.447 1.00 0.00 N ATOM 2140 CA SER B 41 13.058 8.214 -4.124 1.00 0.00 C ATOM 2141 C SER B 41 12.982 9.302 -5.198 1.00 0.00 C ATOM 2142 O SER B 41 13.036 10.479 -4.904 1.00 0.00 O ATOM 2143 CB SER B 41 14.485 7.671 -4.072 1.00 0.00 C ATOM 2144 OG SER B 41 15.381 8.735 -3.785 1.00 0.00 O ATOM 0 H SER B 41 12.507 6.180 -4.516 1.00 0.00 H new ATOM 0 HA SER B 41 12.791 8.632 -3.154 1.00 0.00 H new ATOM 0 HB2 SER B 41 14.564 6.897 -3.308 1.00 0.00 H new ATOM 0 HB3 SER B 41 14.745 7.208 -5.024 1.00 0.00 H new ATOM 0 HG SER B 41 16.298 8.390 -3.749 1.00 0.00 H new ATOM 2150 N HIS B 42 12.869 8.921 -6.442 1.00 0.00 N ATOM 2151 CA HIS B 42 12.800 9.940 -7.528 1.00 0.00 C ATOM 2152 C HIS B 42 11.572 10.830 -7.328 1.00 0.00 C ATOM 2153 O HIS B 42 11.551 11.975 -7.733 1.00 0.00 O ATOM 2154 CB HIS B 42 12.699 9.236 -8.884 1.00 0.00 C ATOM 2155 CG HIS B 42 14.054 9.195 -9.533 1.00 0.00 C ATOM 2156 ND1 HIS B 42 14.219 9.315 -10.903 1.00 0.00 N ATOM 2157 CD2 HIS B 42 15.317 9.046 -9.015 1.00 0.00 C ATOM 2158 CE1 HIS B 42 15.537 9.240 -11.161 1.00 0.00 C ATOM 2159 NE2 HIS B 42 16.251 9.076 -10.044 1.00 0.00 N ATOM 0 H HIS B 42 12.822 7.951 -6.752 1.00 0.00 H new ATOM 0 HA HIS B 42 13.700 10.554 -7.499 1.00 0.00 H new ATOM 0 HB2 HIS B 42 12.317 8.224 -8.752 1.00 0.00 H new ATOM 0 HB3 HIS B 42 11.993 9.762 -9.526 1.00 0.00 H new ATOM 0 HD2 HIS B 42 15.549 8.924 -7.967 1.00 0.00 H new ATOM 0 HE1 HIS B 42 15.966 9.304 -12.150 1.00 0.00 H new ATOM 0 HE2 HIS B 42 17.264 8.991 -9.963 1.00 0.00 H new ATOM 2167 N PHE B 43 10.545 10.310 -6.718 1.00 0.00 N ATOM 2168 CA PHE B 43 9.314 11.121 -6.503 1.00 0.00 C ATOM 2169 C PHE B 43 9.252 11.602 -5.049 1.00 0.00 C ATOM 2170 O PHE B 43 8.311 12.254 -4.643 1.00 0.00 O ATOM 2171 CB PHE B 43 8.088 10.258 -6.816 1.00 0.00 C ATOM 2172 CG PHE B 43 6.838 10.925 -6.293 1.00 0.00 C ATOM 2173 CD1 PHE B 43 6.505 12.218 -6.713 1.00 0.00 C ATOM 2174 CD2 PHE B 43 6.011 10.249 -5.390 1.00 0.00 C ATOM 2175 CE1 PHE B 43 5.344 12.833 -6.231 1.00 0.00 C ATOM 2176 CE2 PHE B 43 4.852 10.863 -4.906 1.00 0.00 C ATOM 2177 CZ PHE B 43 4.518 12.155 -5.327 1.00 0.00 C ATOM 0 H PHE B 43 10.504 9.356 -6.358 1.00 0.00 H new ATOM 0 HA PHE B 43 9.330 11.991 -7.160 1.00 0.00 H new ATOM 0 HB2 PHE B 43 8.006 10.106 -7.892 1.00 0.00 H new ATOM 0 HB3 PHE B 43 8.201 9.273 -6.363 1.00 0.00 H new ATOM 0 HD1 PHE B 43 7.144 12.741 -7.409 1.00 0.00 H new ATOM 0 HD2 PHE B 43 6.268 9.251 -5.066 1.00 0.00 H new ATOM 0 HE1 PHE B 43 5.086 13.830 -6.556 1.00 0.00 H new ATOM 0 HE2 PHE B 43 4.215 10.341 -4.208 1.00 0.00 H new ATOM 0 HZ PHE B 43 3.622 12.629 -4.954 1.00 0.00 H new ATOM 2187 N LEU B 44 10.244 11.285 -4.262 1.00 0.00 N ATOM 2188 CA LEU B 44 10.235 11.725 -2.836 1.00 0.00 C ATOM 2189 C LEU B 44 11.363 12.732 -2.595 1.00 0.00 C ATOM 2190 O LEU B 44 12.507 12.487 -2.924 1.00 0.00 O ATOM 2191 CB LEU B 44 10.438 10.509 -1.932 1.00 0.00 C ATOM 2192 CG LEU B 44 10.414 10.949 -0.467 1.00 0.00 C ATOM 2193 CD1 LEU B 44 9.391 10.112 0.301 1.00 0.00 C ATOM 2194 CD2 LEU B 44 11.801 10.747 0.146 1.00 0.00 C ATOM 0 H LEU B 44 11.060 10.741 -4.544 1.00 0.00 H new ATOM 0 HA LEU B 44 9.279 12.197 -2.610 1.00 0.00 H new ATOM 0 HB2 LEU B 44 9.655 9.773 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU B 44 11.388 10.027 -2.162 1.00 0.00 H new ATOM 0 HG LEU B 44 10.138 12.002 -0.408 1.00 0.00 H new ATOM 0 HD11 LEU B 44 9.374 10.426 1.345 1.00 0.00 H new ATOM 0 HD12 LEU B 44 8.403 10.254 -0.137 1.00 0.00 H new ATOM 0 HD13 LEU B 44 9.666 9.059 0.243 1.00 0.00 H new ATOM 0 HD21 LEU B 44 11.786 11.060 1.190 1.00 0.00 H new ATOM 0 HD22 LEU B 44 12.075 9.694 0.087 1.00 0.00 H new ATOM 0 HD23 LEU B 44 12.531 11.343 -0.401 1.00 0.00 H new ATOM 2206 N GLU B 45 11.050 13.863 -2.019 1.00 0.00 N ATOM 2207 CA GLU B 45 12.105 14.884 -1.752 1.00 0.00 C ATOM 2208 C GLU B 45 11.569 15.935 -0.775 1.00 0.00 C ATOM 2209 O GLU B 45 12.035 17.056 -0.736 1.00 0.00 O ATOM 2210 CB GLU B 45 12.502 15.563 -3.064 1.00 0.00 C ATOM 2211 CG GLU B 45 11.273 16.217 -3.698 1.00 0.00 C ATOM 2212 CD GLU B 45 11.680 16.924 -4.990 1.00 0.00 C ATOM 2213 OE1 GLU B 45 12.319 16.290 -5.814 1.00 0.00 O ATOM 2214 OE2 GLU B 45 11.349 18.090 -5.134 1.00 0.00 O ATOM 0 H GLU B 45 10.110 14.124 -1.722 1.00 0.00 H new ATOM 0 HA GLU B 45 12.977 14.397 -1.316 1.00 0.00 H new ATOM 0 HB2 GLU B 45 13.270 16.314 -2.878 1.00 0.00 H new ATOM 0 HB3 GLU B 45 12.930 14.831 -3.749 1.00 0.00 H new ATOM 0 HG2 GLU B 45 10.514 15.463 -3.907 1.00 0.00 H new ATOM 0 HG3 GLU B 45 10.830 16.931 -3.004 1.00 0.00 H new ATOM 2221 N GLU B 46 10.596 15.579 0.019 1.00 0.00 N ATOM 2222 CA GLU B 46 10.032 16.551 0.998 1.00 0.00 C ATOM 2223 C GLU B 46 9.897 15.867 2.357 1.00 0.00 C ATOM 2224 O GLU B 46 10.396 16.340 3.359 1.00 0.00 O ATOM 2225 CB GLU B 46 8.651 17.011 0.524 1.00 0.00 C ATOM 2226 CG GLU B 46 8.806 18.052 -0.586 1.00 0.00 C ATOM 2227 CD GLU B 46 9.198 19.398 0.028 1.00 0.00 C ATOM 2228 OE1 GLU B 46 10.127 19.419 0.817 1.00 0.00 O ATOM 2229 OE2 GLU B 46 8.562 20.383 -0.303 1.00 0.00 O ATOM 0 H GLU B 46 10.166 14.654 0.032 1.00 0.00 H new ATOM 0 HA GLU B 46 10.693 17.414 1.081 1.00 0.00 H new ATOM 0 HB2 GLU B 46 8.079 16.158 0.158 1.00 0.00 H new ATOM 0 HB3 GLU B 46 8.093 17.436 1.358 1.00 0.00 H new ATOM 0 HG2 GLU B 46 9.566 17.730 -1.298 1.00 0.00 H new ATOM 0 HG3 GLU B 46 7.872 18.151 -1.140 1.00 0.00 H new ATOM 2236 N ILE B 47 9.229 14.748 2.395 1.00 0.00 N ATOM 2237 CA ILE B 47 9.064 14.022 3.682 1.00 0.00 C ATOM 2238 C ILE B 47 8.474 14.960 4.738 1.00 0.00 C ATOM 2239 O ILE B 47 9.182 15.708 5.382 1.00 0.00 O ATOM 2240 CB ILE B 47 10.426 13.517 4.157 1.00 0.00 C ATOM 2241 CG1 ILE B 47 10.919 12.420 3.212 1.00 0.00 C ATOM 2242 CG2 ILE B 47 10.299 12.951 5.571 1.00 0.00 C ATOM 2243 CD1 ILE B 47 12.406 12.628 2.923 1.00 0.00 C ATOM 0 H ILE B 47 8.790 14.305 1.588 1.00 0.00 H new ATOM 0 HA ILE B 47 8.389 13.179 3.534 1.00 0.00 H new ATOM 0 HB ILE B 47 11.137 14.343 4.161 1.00 0.00 H new ATOM 0 HG12 ILE B 47 10.758 11.440 3.660 1.00 0.00 H new ATOM 0 HG13 ILE B 47 10.350 12.443 2.283 1.00 0.00 H new ATOM 0 HG21 ILE B 47 11.271 12.591 5.908 1.00 0.00 H new ATOM 0 HG22 ILE B 47 9.947 13.732 6.245 1.00 0.00 H new ATOM 0 HG23 ILE B 47 9.587 12.125 5.570 1.00 0.00 H new ATOM 0 HD11 ILE B 47 12.759 11.847 2.250 1.00 0.00 H new ATOM 0 HD12 ILE B 47 12.553 13.602 2.457 1.00 0.00 H new ATOM 0 HD13 ILE B 47 12.968 12.583 3.856 1.00 0.00 H new ATOM 2255 N LYS B 48 7.184 14.919 4.926 1.00 0.00 N ATOM 2256 CA LYS B 48 6.554 15.800 5.948 1.00 0.00 C ATOM 2257 C LYS B 48 6.402 15.019 7.252 1.00 0.00 C ATOM 2258 O LYS B 48 6.499 15.567 8.333 1.00 0.00 O ATOM 2259 CB LYS B 48 5.176 16.249 5.458 1.00 0.00 C ATOM 2260 CG LYS B 48 4.661 17.374 6.358 1.00 0.00 C ATOM 2261 CD LYS B 48 3.365 16.931 7.037 1.00 0.00 C ATOM 2262 CE LYS B 48 3.590 16.828 8.548 1.00 0.00 C ATOM 2263 NZ LYS B 48 2.745 17.837 9.248 1.00 0.00 N ATOM 0 H LYS B 48 6.540 14.314 4.417 1.00 0.00 H new ATOM 0 HA LYS B 48 7.179 16.677 6.114 1.00 0.00 H new ATOM 0 HB2 LYS B 48 5.239 16.593 4.426 1.00 0.00 H new ATOM 0 HB3 LYS B 48 4.481 15.409 5.472 1.00 0.00 H new ATOM 0 HG2 LYS B 48 5.410 17.625 7.109 1.00 0.00 H new ATOM 0 HG3 LYS B 48 4.486 18.274 5.769 1.00 0.00 H new ATOM 0 HD2 LYS B 48 2.569 17.644 6.825 1.00 0.00 H new ATOM 0 HD3 LYS B 48 3.045 15.968 6.640 1.00 0.00 H new ATOM 0 HE2 LYS B 48 3.341 15.825 8.896 1.00 0.00 H new ATOM 0 HE3 LYS B 48 4.642 16.994 8.782 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 2.898 17.766 10.274 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 3.003 18.791 8.924 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 1.743 17.659 9.035 1.00 0.00 H new ATOM 2277 N GLU B 49 6.171 13.739 7.159 1.00 0.00 N ATOM 2278 CA GLU B 49 6.019 12.916 8.390 1.00 0.00 C ATOM 2279 C GLU B 49 7.393 12.399 8.820 1.00 0.00 C ATOM 2280 O GLU B 49 7.675 11.220 8.745 1.00 0.00 O ATOM 2281 CB GLU B 49 5.094 11.733 8.100 1.00 0.00 C ATOM 2282 CG GLU B 49 3.770 11.927 8.842 1.00 0.00 C ATOM 2283 CD GLU B 49 4.015 11.872 10.351 1.00 0.00 C ATOM 2284 OE1 GLU B 49 4.945 11.195 10.756 1.00 0.00 O ATOM 2285 OE2 GLU B 49 3.268 12.507 11.076 1.00 0.00 O ATOM 0 H GLU B 49 6.081 13.227 6.281 1.00 0.00 H new ATOM 0 HA GLU B 49 5.590 13.522 9.188 1.00 0.00 H new ATOM 0 HB2 GLU B 49 4.914 11.653 7.028 1.00 0.00 H new ATOM 0 HB3 GLU B 49 5.567 10.802 8.415 1.00 0.00 H new ATOM 0 HG2 GLU B 49 3.326 12.885 8.570 1.00 0.00 H new ATOM 0 HG3 GLU B 49 3.061 11.152 8.550 1.00 0.00 H new ATOM 2292 N GLN B 50 8.251 13.274 9.266 1.00 0.00 N ATOM 2293 CA GLN B 50 9.606 12.835 9.698 1.00 0.00 C ATOM 2294 C GLN B 50 9.490 11.563 10.539 1.00 0.00 C ATOM 2295 O GLN B 50 10.404 10.768 10.606 1.00 0.00 O ATOM 2296 CB GLN B 50 10.257 13.941 10.533 1.00 0.00 C ATOM 2297 CG GLN B 50 11.627 13.473 11.026 1.00 0.00 C ATOM 2298 CD GLN B 50 12.723 14.085 10.153 1.00 0.00 C ATOM 2299 OE1 GLN B 50 12.549 14.243 8.961 1.00 0.00 O ATOM 2300 NE2 GLN B 50 13.853 14.438 10.700 1.00 0.00 N ATOM 0 H GLN B 50 8.072 14.275 9.350 1.00 0.00 H new ATOM 0 HA GLN B 50 10.218 12.632 8.819 1.00 0.00 H new ATOM 0 HB2 GLN B 50 10.364 14.846 9.935 1.00 0.00 H new ATOM 0 HB3 GLN B 50 9.620 14.192 11.381 1.00 0.00 H new ATOM 0 HG2 GLN B 50 11.770 13.766 12.066 1.00 0.00 H new ATOM 0 HG3 GLN B 50 11.685 12.385 10.991 1.00 0.00 H new ATOM 0 HE21 GLN B 50 13.999 14.305 11.701 1.00 0.00 H new ATOM 0 HE22 GLN B 50 14.591 14.847 10.127 1.00 0.00 H new ATOM 2309 N GLU B 51 8.373 11.367 11.184 1.00 0.00 N ATOM 2310 CA GLU B 51 8.202 10.149 12.025 1.00 0.00 C ATOM 2311 C GLU B 51 7.945 8.934 11.129 1.00 0.00 C ATOM 2312 O GLU B 51 8.511 7.880 11.326 1.00 0.00 O ATOM 2313 CB GLU B 51 7.016 10.343 12.970 1.00 0.00 C ATOM 2314 CG GLU B 51 7.312 9.660 14.307 1.00 0.00 C ATOM 2315 CD GLU B 51 6.018 9.521 15.108 1.00 0.00 C ATOM 2316 OE1 GLU B 51 5.437 10.540 15.442 1.00 0.00 O ATOM 2317 OE2 GLU B 51 5.630 8.396 15.376 1.00 0.00 O ATOM 0 H GLU B 51 7.571 11.998 11.165 1.00 0.00 H new ATOM 0 HA GLU B 51 9.109 9.984 12.607 1.00 0.00 H new ATOM 0 HB2 GLU B 51 6.831 11.406 13.125 1.00 0.00 H new ATOM 0 HB3 GLU B 51 6.112 9.924 12.528 1.00 0.00 H new ATOM 0 HG2 GLU B 51 7.753 8.678 14.136 1.00 0.00 H new ATOM 0 HG3 GLU B 51 8.040 10.242 14.871 1.00 0.00 H new ATOM 2324 N VAL B 52 7.091 9.069 10.151 1.00 0.00 N ATOM 2325 CA VAL B 52 6.799 7.918 9.251 1.00 0.00 C ATOM 2326 C VAL B 52 8.078 7.489 8.531 1.00 0.00 C ATOM 2327 O VAL B 52 8.476 6.343 8.584 1.00 0.00 O ATOM 2328 CB VAL B 52 5.753 8.335 8.215 1.00 0.00 C ATOM 2329 CG1 VAL B 52 5.511 7.183 7.238 1.00 0.00 C ATOM 2330 CG2 VAL B 52 4.445 8.684 8.924 1.00 0.00 C ATOM 0 H VAL B 52 6.583 9.927 9.937 1.00 0.00 H new ATOM 0 HA VAL B 52 6.419 7.086 9.843 1.00 0.00 H new ATOM 0 HB VAL B 52 6.114 9.205 7.667 1.00 0.00 H new ATOM 0 HG11 VAL B 52 4.766 7.482 6.501 1.00 0.00 H new ATOM 0 HG12 VAL B 52 6.443 6.934 6.731 1.00 0.00 H new ATOM 0 HG13 VAL B 52 5.151 6.311 7.785 1.00 0.00 H new ATOM 0 HG21 VAL B 52 3.699 8.981 8.186 1.00 0.00 H new ATOM 0 HG22 VAL B 52 4.085 7.814 9.473 1.00 0.00 H new ATOM 0 HG23 VAL B 52 4.616 9.506 9.619 1.00 0.00 H new ATOM 2340 N VAL B 53 8.719 8.397 7.853 1.00 0.00 N ATOM 2341 CA VAL B 53 9.967 8.038 7.123 1.00 0.00 C ATOM 2342 C VAL B 53 11.064 7.680 8.123 1.00 0.00 C ATOM 2343 O VAL B 53 11.940 6.891 7.836 1.00 0.00 O ATOM 2344 CB VAL B 53 10.418 9.227 6.275 1.00 0.00 C ATOM 2345 CG1 VAL B 53 11.786 8.929 5.664 1.00 0.00 C ATOM 2346 CG2 VAL B 53 9.401 9.468 5.158 1.00 0.00 C ATOM 0 H VAL B 53 8.434 9.373 7.772 1.00 0.00 H new ATOM 0 HA VAL B 53 9.775 7.181 6.478 1.00 0.00 H new ATOM 0 HB VAL B 53 10.488 10.116 6.902 1.00 0.00 H new ATOM 0 HG11 VAL B 53 12.107 9.777 5.059 1.00 0.00 H new ATOM 0 HG12 VAL B 53 12.510 8.756 6.460 1.00 0.00 H new ATOM 0 HG13 VAL B 53 11.718 8.041 5.036 1.00 0.00 H new ATOM 0 HG21 VAL B 53 9.720 10.316 4.552 1.00 0.00 H new ATOM 0 HG22 VAL B 53 9.332 8.579 4.531 1.00 0.00 H new ATOM 0 HG23 VAL B 53 8.425 9.681 5.594 1.00 0.00 H new ATOM 2356 N ASP B 54 11.025 8.249 9.294 1.00 0.00 N ATOM 2357 CA ASP B 54 12.071 7.928 10.302 1.00 0.00 C ATOM 2358 C ASP B 54 11.787 6.550 10.897 1.00 0.00 C ATOM 2359 O ASP B 54 12.665 5.901 11.426 1.00 0.00 O ATOM 2360 CB ASP B 54 12.056 8.978 11.414 1.00 0.00 C ATOM 2361 CG ASP B 54 13.064 8.590 12.498 1.00 0.00 C ATOM 2362 OD1 ASP B 54 14.214 8.979 12.377 1.00 0.00 O ATOM 2363 OD2 ASP B 54 12.669 7.909 13.430 1.00 0.00 O ATOM 0 H ASP B 54 10.318 8.919 9.596 1.00 0.00 H new ATOM 0 HA ASP B 54 13.050 7.928 9.824 1.00 0.00 H new ATOM 0 HB2 ASP B 54 12.304 9.958 11.006 1.00 0.00 H new ATOM 0 HB3 ASP B 54 11.057 9.055 11.843 1.00 0.00 H new ATOM 2368 N LYS B 55 10.565 6.097 10.813 1.00 0.00 N ATOM 2369 CA LYS B 55 10.228 4.761 11.374 1.00 0.00 C ATOM 2370 C LYS B 55 10.631 3.668 10.383 1.00 0.00 C ATOM 2371 O LYS B 55 11.319 2.730 10.730 1.00 0.00 O ATOM 2372 CB LYS B 55 8.725 4.683 11.645 1.00 0.00 C ATOM 2373 CG LYS B 55 8.360 3.270 12.102 1.00 0.00 C ATOM 2374 CD LYS B 55 7.675 2.525 10.953 1.00 0.00 C ATOM 2375 CE LYS B 55 6.843 1.372 11.516 1.00 0.00 C ATOM 2376 NZ LYS B 55 5.546 1.900 12.027 1.00 0.00 N ATOM 0 H LYS B 55 9.787 6.595 10.380 1.00 0.00 H new ATOM 0 HA LYS B 55 10.771 4.615 12.308 1.00 0.00 H new ATOM 0 HB2 LYS B 55 8.445 5.407 12.410 1.00 0.00 H new ATOM 0 HB3 LYS B 55 8.169 4.940 10.744 1.00 0.00 H new ATOM 0 HG2 LYS B 55 9.256 2.734 12.414 1.00 0.00 H new ATOM 0 HG3 LYS B 55 7.698 3.315 12.967 1.00 0.00 H new ATOM 0 HD2 LYS B 55 7.037 3.208 10.392 1.00 0.00 H new ATOM 0 HD3 LYS B 55 8.422 2.143 10.257 1.00 0.00 H new ATOM 0 HE2 LYS B 55 6.665 0.626 10.742 1.00 0.00 H new ATOM 0 HE3 LYS B 55 7.387 0.874 12.319 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 4.913 1.106 12.253 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 5.714 2.464 12.885 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 5.104 2.499 11.300 1.00 0.00 H new ATOM 2390 N VAL B 56 10.212 3.777 9.149 1.00 0.00 N ATOM 2391 CA VAL B 56 10.582 2.741 8.154 1.00 0.00 C ATOM 2392 C VAL B 56 12.076 2.844 7.874 1.00 0.00 C ATOM 2393 O VAL B 56 12.791 1.864 7.881 1.00 0.00 O ATOM 2394 CB VAL B 56 9.794 2.970 6.865 1.00 0.00 C ATOM 2395 CG1 VAL B 56 8.299 2.824 7.146 1.00 0.00 C ATOM 2396 CG2 VAL B 56 10.077 4.377 6.334 1.00 0.00 C ATOM 0 H VAL B 56 9.632 4.537 8.793 1.00 0.00 H new ATOM 0 HA VAL B 56 10.349 1.749 8.540 1.00 0.00 H new ATOM 0 HB VAL B 56 10.098 2.233 6.121 1.00 0.00 H new ATOM 0 HG11 VAL B 56 7.738 2.988 6.226 1.00 0.00 H new ATOM 0 HG12 VAL B 56 8.096 1.821 7.522 1.00 0.00 H new ATOM 0 HG13 VAL B 56 7.995 3.559 7.891 1.00 0.00 H new ATOM 0 HG21 VAL B 56 9.514 4.539 5.415 1.00 0.00 H new ATOM 0 HG22 VAL B 56 9.776 5.114 7.078 1.00 0.00 H new ATOM 0 HG23 VAL B 56 11.143 4.481 6.130 1.00 0.00 H new ATOM 2406 N MET B 57 12.554 4.031 7.645 1.00 0.00 N ATOM 2407 CA MET B 57 14.004 4.213 7.387 1.00 0.00 C ATOM 2408 C MET B 57 14.777 3.788 8.631 1.00 0.00 C ATOM 2409 O MET B 57 15.954 3.505 8.577 1.00 0.00 O ATOM 2410 CB MET B 57 14.276 5.688 7.111 1.00 0.00 C ATOM 2411 CG MET B 57 15.691 5.856 6.556 1.00 0.00 C ATOM 2412 SD MET B 57 15.816 5.022 4.954 1.00 0.00 S ATOM 2413 CE MET B 57 14.324 5.726 4.209 1.00 0.00 C ATOM 0 H MET B 57 12.000 4.887 7.625 1.00 0.00 H new ATOM 0 HA MET B 57 14.313 3.614 6.531 1.00 0.00 H new ATOM 0 HB2 MET B 57 13.547 6.075 6.399 1.00 0.00 H new ATOM 0 HB3 MET B 57 14.164 6.266 8.028 1.00 0.00 H new ATOM 0 HG2 MET B 57 15.926 6.915 6.446 1.00 0.00 H new ATOM 0 HG3 MET B 57 16.418 5.439 7.253 1.00 0.00 H new ATOM 0 HE1 MET B 57 14.407 5.687 3.123 1.00 0.00 H new ATOM 0 HE2 MET B 57 13.453 5.153 4.527 1.00 0.00 H new ATOM 0 HE3 MET B 57 14.212 6.762 4.528 1.00 0.00 H new ATOM 2423 N GLU B 58 14.119 3.748 9.756 1.00 0.00 N ATOM 2424 CA GLU B 58 14.808 3.342 11.014 1.00 0.00 C ATOM 2425 C GLU B 58 15.083 1.838 10.985 1.00 0.00 C ATOM 2426 O GLU B 58 16.214 1.408 11.091 1.00 0.00 O ATOM 2427 CB GLU B 58 13.925 3.673 12.217 1.00 0.00 C ATOM 2428 CG GLU B 58 14.480 4.900 12.941 1.00 0.00 C ATOM 2429 CD GLU B 58 13.483 5.361 14.005 1.00 0.00 C ATOM 2430 OE1 GLU B 58 12.303 5.413 13.698 1.00 0.00 O ATOM 2431 OE2 GLU B 58 13.915 5.655 15.107 1.00 0.00 O ATOM 0 H GLU B 58 13.131 3.980 9.859 1.00 0.00 H new ATOM 0 HA GLU B 58 15.750 3.884 11.097 1.00 0.00 H new ATOM 0 HB2 GLU B 58 12.903 3.864 11.889 1.00 0.00 H new ATOM 0 HB3 GLU B 58 13.888 2.823 12.898 1.00 0.00 H new ATOM 0 HG2 GLU B 58 15.437 4.660 13.404 1.00 0.00 H new ATOM 0 HG3 GLU B 58 14.664 5.704 12.228 1.00 0.00 H new ATOM 2438 N THR B 59 14.067 1.029 10.833 1.00 0.00 N ATOM 2439 CA THR B 59 14.306 -0.441 10.789 1.00 0.00 C ATOM 2440 C THR B 59 15.252 -0.729 9.629 1.00 0.00 C ATOM 2441 O THR B 59 16.139 -1.557 9.714 1.00 0.00 O ATOM 2442 CB THR B 59 12.981 -1.174 10.565 1.00 0.00 C ATOM 2443 OG1 THR B 59 11.916 -0.396 11.091 1.00 0.00 O ATOM 2444 CG2 THR B 59 13.022 -2.531 11.270 1.00 0.00 C ATOM 0 H THR B 59 13.094 1.319 10.739 1.00 0.00 H new ATOM 0 HA THR B 59 14.740 -0.782 11.729 1.00 0.00 H new ATOM 0 HB THR B 59 12.825 -1.327 9.497 1.00 0.00 H new ATOM 0 HG1 THR B 59 11.535 0.160 10.380 1.00 0.00 H new ATOM 0 HG21 THR B 59 12.078 -3.053 11.110 1.00 0.00 H new ATOM 0 HG22 THR B 59 13.839 -3.127 10.864 1.00 0.00 H new ATOM 0 HG23 THR B 59 13.178 -2.381 12.338 1.00 0.00 H new ATOM 2452 N LEU B 60 15.067 -0.028 8.549 1.00 0.00 N ATOM 2453 CA LEU B 60 15.938 -0.213 7.363 1.00 0.00 C ATOM 2454 C LEU B 60 17.397 -0.026 7.782 1.00 0.00 C ATOM 2455 O LEU B 60 18.230 -0.887 7.581 1.00 0.00 O ATOM 2456 CB LEU B 60 15.559 0.833 6.314 1.00 0.00 C ATOM 2457 CG LEU B 60 14.487 0.258 5.387 1.00 0.00 C ATOM 2458 CD1 LEU B 60 13.986 1.349 4.439 1.00 0.00 C ATOM 2459 CD2 LEU B 60 15.084 -0.891 4.572 1.00 0.00 C ATOM 0 H LEU B 60 14.337 0.676 8.438 1.00 0.00 H new ATOM 0 HA LEU B 60 15.811 -1.212 6.947 1.00 0.00 H new ATOM 0 HB2 LEU B 60 15.188 1.735 6.801 1.00 0.00 H new ATOM 0 HB3 LEU B 60 16.438 1.121 5.737 1.00 0.00 H new ATOM 0 HG LEU B 60 13.653 -0.111 5.984 1.00 0.00 H new ATOM 0 HD11 LEU B 60 13.222 0.936 3.780 1.00 0.00 H new ATOM 0 HD12 LEU B 60 13.560 2.168 5.019 1.00 0.00 H new ATOM 0 HD13 LEU B 60 14.818 1.722 3.841 1.00 0.00 H new ATOM 0 HD21 LEU B 60 14.322 -1.302 3.911 1.00 0.00 H new ATOM 0 HD22 LEU B 60 15.919 -0.520 3.977 1.00 0.00 H new ATOM 0 HD23 LEU B 60 15.438 -1.670 5.247 1.00 0.00 H new ATOM 2471 N ASP B 61 17.706 1.095 8.373 1.00 0.00 N ATOM 2472 CA ASP B 61 19.103 1.351 8.819 1.00 0.00 C ATOM 2473 C ASP B 61 19.346 0.649 10.156 1.00 0.00 C ATOM 2474 O ASP B 61 20.432 0.688 10.701 1.00 0.00 O ATOM 2475 CB ASP B 61 19.313 2.857 8.992 1.00 0.00 C ATOM 2476 CG ASP B 61 20.746 3.221 8.597 1.00 0.00 C ATOM 2477 OD1 ASP B 61 21.000 3.341 7.410 1.00 0.00 O ATOM 2478 OD2 ASP B 61 21.564 3.372 9.489 1.00 0.00 O ATOM 0 H ASP B 61 17.046 1.849 8.567 1.00 0.00 H new ATOM 0 HA ASP B 61 19.800 0.968 8.073 1.00 0.00 H new ATOM 0 HB2 ASP B 61 18.603 3.407 8.374 1.00 0.00 H new ATOM 0 HB3 ASP B 61 19.125 3.145 10.026 1.00 0.00 H new ATOM 2483 N GLU B 62 18.345 0.006 10.693 1.00 0.00 N ATOM 2484 CA GLU B 62 18.524 -0.694 11.994 1.00 0.00 C ATOM 2485 C GLU B 62 19.458 -1.884 11.797 1.00 0.00 C ATOM 2486 O GLU B 62 20.209 -2.249 12.681 1.00 0.00 O ATOM 2487 CB GLU B 62 17.167 -1.186 12.501 1.00 0.00 C ATOM 2488 CG GLU B 62 17.369 -2.019 13.769 1.00 0.00 C ATOM 2489 CD GLU B 62 16.011 -2.306 14.410 1.00 0.00 C ATOM 2490 OE1 GLU B 62 15.165 -1.428 14.374 1.00 0.00 O ATOM 2491 OE2 GLU B 62 15.839 -3.397 14.926 1.00 0.00 O ATOM 0 H GLU B 62 17.412 -0.064 10.286 1.00 0.00 H new ATOM 0 HA GLU B 62 18.953 -0.008 12.724 1.00 0.00 H new ATOM 0 HB2 GLU B 62 16.515 -0.338 12.710 1.00 0.00 H new ATOM 0 HB3 GLU B 62 16.675 -1.784 11.734 1.00 0.00 H new ATOM 0 HG2 GLU B 62 17.874 -2.954 13.526 1.00 0.00 H new ATOM 0 HG3 GLU B 62 18.009 -1.484 14.471 1.00 0.00 H new ATOM 2498 N ASP B 63 19.423 -2.490 10.644 1.00 0.00 N ATOM 2499 CA ASP B 63 20.314 -3.653 10.391 1.00 0.00 C ATOM 2500 C ASP B 63 20.653 -3.727 8.902 1.00 0.00 C ATOM 2501 O ASP B 63 21.799 -3.866 8.523 1.00 0.00 O ATOM 2502 CB ASP B 63 19.609 -4.940 10.822 1.00 0.00 C ATOM 2503 CG ASP B 63 20.591 -6.109 10.743 1.00 0.00 C ATOM 2504 OD1 ASP B 63 21.777 -5.872 10.902 1.00 0.00 O ATOM 2505 OD2 ASP B 63 20.141 -7.221 10.522 1.00 0.00 O ATOM 0 H ASP B 63 18.816 -2.230 9.867 1.00 0.00 H new ATOM 0 HA ASP B 63 21.234 -3.535 10.964 1.00 0.00 H new ATOM 0 HB2 ASP B 63 19.230 -4.837 11.839 1.00 0.00 H new ATOM 0 HB3 ASP B 63 18.749 -5.129 10.179 1.00 0.00 H new ATOM 2510 N GLY B 64 19.666 -3.639 8.056 1.00 0.00 N ATOM 2511 CA GLY B 64 19.930 -3.706 6.592 1.00 0.00 C ATOM 2512 C GLY B 64 19.903 -5.165 6.135 1.00 0.00 C ATOM 2513 O GLY B 64 19.744 -5.458 4.967 1.00 0.00 O ATOM 0 H GLY B 64 18.686 -3.523 8.315 1.00 0.00 H new ATOM 0 HA2 GLY B 64 19.180 -3.130 6.050 1.00 0.00 H new ATOM 0 HA3 GLY B 64 20.899 -3.261 6.366 1.00 0.00 H new ATOM 2517 N ASP B 65 20.056 -6.083 7.049 1.00 0.00 N ATOM 2518 CA ASP B 65 20.036 -7.521 6.671 1.00 0.00 C ATOM 2519 C ASP B 65 18.921 -8.231 7.438 1.00 0.00 C ATOM 2520 O ASP B 65 19.150 -8.834 8.468 1.00 0.00 O ATOM 2521 CB ASP B 65 21.381 -8.158 7.024 1.00 0.00 C ATOM 2522 CG ASP B 65 21.502 -9.517 6.330 1.00 0.00 C ATOM 2523 OD1 ASP B 65 20.969 -10.479 6.857 1.00 0.00 O ATOM 2524 OD2 ASP B 65 22.127 -9.572 5.284 1.00 0.00 O ATOM 0 H ASP B 65 20.194 -5.897 8.042 1.00 0.00 H new ATOM 0 HA ASP B 65 19.859 -7.614 5.600 1.00 0.00 H new ATOM 0 HB2 ASP B 65 22.197 -7.505 6.713 1.00 0.00 H new ATOM 0 HB3 ASP B 65 21.465 -8.281 8.104 1.00 0.00 H new ATOM 2529 N GLY B 66 17.715 -8.165 6.947 1.00 0.00 N ATOM 2530 CA GLY B 66 16.590 -8.835 7.649 1.00 0.00 C ATOM 2531 C GLY B 66 15.617 -9.411 6.619 1.00 0.00 C ATOM 2532 O GLY B 66 15.839 -9.330 5.427 1.00 0.00 O ATOM 0 H GLY B 66 17.462 -7.675 6.089 1.00 0.00 H new ATOM 0 HA2 GLY B 66 16.970 -9.630 8.291 1.00 0.00 H new ATOM 0 HA3 GLY B 66 16.074 -8.124 8.294 1.00 0.00 H new ATOM 2536 N GLU B 67 14.538 -9.993 7.067 1.00 0.00 N ATOM 2537 CA GLU B 67 13.553 -10.573 6.112 1.00 0.00 C ATOM 2538 C GLU B 67 12.187 -9.919 6.329 1.00 0.00 C ATOM 2539 O GLU B 67 11.682 -9.869 7.434 1.00 0.00 O ATOM 2540 CB GLU B 67 13.446 -12.081 6.344 1.00 0.00 C ATOM 2541 CG GLU B 67 14.735 -12.760 5.874 1.00 0.00 C ATOM 2542 CD GLU B 67 15.105 -13.889 6.838 1.00 0.00 C ATOM 2543 OE1 GLU B 67 14.285 -14.215 7.680 1.00 0.00 O ATOM 2544 OE2 GLU B 67 16.202 -14.409 6.717 1.00 0.00 O ATOM 0 H GLU B 67 14.297 -10.092 8.053 1.00 0.00 H new ATOM 0 HA GLU B 67 13.883 -10.388 5.090 1.00 0.00 H new ATOM 0 HB2 GLU B 67 13.278 -12.287 7.401 1.00 0.00 H new ATOM 0 HB3 GLU B 67 12.591 -12.484 5.801 1.00 0.00 H new ATOM 0 HG2 GLU B 67 14.602 -13.157 4.868 1.00 0.00 H new ATOM 0 HG3 GLU B 67 15.544 -12.031 5.825 1.00 0.00 H new ATOM 2551 N CYS B 68 11.589 -9.412 5.286 1.00 0.00 N ATOM 2552 CA CYS B 68 10.258 -8.754 5.437 1.00 0.00 C ATOM 2553 C CYS B 68 9.177 -9.615 4.782 1.00 0.00 C ATOM 2554 O CYS B 68 9.463 -10.551 4.064 1.00 0.00 O ATOM 2555 CB CYS B 68 10.293 -7.383 4.760 1.00 0.00 C ATOM 2556 SG CYS B 68 11.186 -6.214 5.814 1.00 0.00 S ATOM 0 H CYS B 68 11.963 -9.424 4.337 1.00 0.00 H new ATOM 0 HA CYS B 68 10.031 -8.637 6.497 1.00 0.00 H new ATOM 0 HB2 CYS B 68 10.780 -7.458 3.788 1.00 0.00 H new ATOM 0 HB3 CYS B 68 9.278 -7.027 4.582 1.00 0.00 H new ATOM 0 HG CYS B 68 10.586 -5.061 5.789 1.00 0.00 H new ATOM 2562 N ASP B 69 7.934 -9.302 5.023 1.00 0.00 N ATOM 2563 CA ASP B 69 6.834 -10.099 4.409 1.00 0.00 C ATOM 2564 C ASP B 69 6.309 -9.361 3.179 1.00 0.00 C ATOM 2565 O ASP B 69 6.890 -8.392 2.734 1.00 0.00 O ATOM 2566 CB ASP B 69 5.703 -10.278 5.424 1.00 0.00 C ATOM 2567 CG ASP B 69 6.244 -10.979 6.672 1.00 0.00 C ATOM 2568 OD1 ASP B 69 6.260 -12.199 6.681 1.00 0.00 O ATOM 2569 OD2 ASP B 69 6.632 -10.285 7.598 1.00 0.00 O ATOM 0 H ASP B 69 7.632 -8.530 5.618 1.00 0.00 H new ATOM 0 HA ASP B 69 7.209 -11.079 4.115 1.00 0.00 H new ATOM 0 HB2 ASP B 69 5.283 -9.308 5.692 1.00 0.00 H new ATOM 0 HB3 ASP B 69 4.896 -10.865 4.985 1.00 0.00 H new ATOM 2574 N PHE B 70 5.217 -9.805 2.622 1.00 0.00 N ATOM 2575 CA PHE B 70 4.672 -9.115 1.419 1.00 0.00 C ATOM 2576 C PHE B 70 3.808 -7.931 1.856 1.00 0.00 C ATOM 2577 O PHE B 70 3.818 -6.889 1.230 1.00 0.00 O ATOM 2578 CB PHE B 70 3.840 -10.085 0.570 1.00 0.00 C ATOM 2579 CG PHE B 70 3.063 -11.025 1.458 1.00 0.00 C ATOM 2580 CD1 PHE B 70 3.631 -12.240 1.857 1.00 0.00 C ATOM 2581 CD2 PHE B 70 1.774 -10.684 1.876 1.00 0.00 C ATOM 2582 CE1 PHE B 70 2.909 -13.112 2.679 1.00 0.00 C ATOM 2583 CE2 PHE B 70 1.052 -11.556 2.697 1.00 0.00 C ATOM 2584 CZ PHE B 70 1.619 -12.771 3.098 1.00 0.00 C ATOM 0 H PHE B 70 4.681 -10.611 2.945 1.00 0.00 H new ATOM 0 HA PHE B 70 5.504 -8.755 0.814 1.00 0.00 H new ATOM 0 HB2 PHE B 70 3.155 -9.526 -0.067 1.00 0.00 H new ATOM 0 HB3 PHE B 70 4.494 -10.655 -0.090 1.00 0.00 H new ATOM 0 HD1 PHE B 70 4.626 -12.504 1.531 1.00 0.00 H new ATOM 0 HD2 PHE B 70 1.335 -9.747 1.565 1.00 0.00 H new ATOM 0 HE1 PHE B 70 3.348 -14.049 2.990 1.00 0.00 H new ATOM 0 HE2 PHE B 70 0.056 -11.292 3.022 1.00 0.00 H new ATOM 0 HZ PHE B 70 1.061 -13.445 3.731 1.00 0.00 H new ATOM 2594 N GLN B 71 3.077 -8.060 2.931 1.00 0.00 N ATOM 2595 CA GLN B 71 2.244 -6.905 3.383 1.00 0.00 C ATOM 2596 C GLN B 71 3.125 -5.930 4.156 1.00 0.00 C ATOM 2597 O GLN B 71 2.744 -4.809 4.417 1.00 0.00 O ATOM 2598 CB GLN B 71 1.084 -7.337 4.287 1.00 0.00 C ATOM 2599 CG GLN B 71 1.164 -8.820 4.647 1.00 0.00 C ATOM 2600 CD GLN B 71 -0.168 -9.258 5.264 1.00 0.00 C ATOM 2601 OE1 GLN B 71 -0.445 -10.436 5.363 1.00 0.00 O ATOM 2602 NE2 GLN B 71 -1.012 -8.352 5.686 1.00 0.00 N ATOM 0 H GLN B 71 3.019 -8.899 3.508 1.00 0.00 H new ATOM 0 HA GLN B 71 1.820 -6.440 2.493 1.00 0.00 H new ATOM 0 HB2 GLN B 71 1.093 -6.741 5.200 1.00 0.00 H new ATOM 0 HB3 GLN B 71 0.138 -7.136 3.785 1.00 0.00 H new ATOM 0 HG2 GLN B 71 1.379 -9.412 3.757 1.00 0.00 H new ATOM 0 HG3 GLN B 71 1.979 -8.993 5.350 1.00 0.00 H new ATOM 0 HE21 GLN B 71 -0.781 -7.362 5.604 1.00 0.00 H new ATOM 0 HE22 GLN B 71 -1.901 -8.636 6.097 1.00 0.00 H new ATOM 2611 N GLU B 72 4.297 -6.350 4.532 1.00 0.00 N ATOM 2612 CA GLU B 72 5.201 -5.444 5.287 1.00 0.00 C ATOM 2613 C GLU B 72 5.852 -4.471 4.306 1.00 0.00 C ATOM 2614 O GLU B 72 5.866 -3.275 4.516 1.00 0.00 O ATOM 2615 CB GLU B 72 6.276 -6.274 5.991 1.00 0.00 C ATOM 2616 CG GLU B 72 5.780 -6.683 7.379 1.00 0.00 C ATOM 2617 CD GLU B 72 6.576 -5.932 8.448 1.00 0.00 C ATOM 2618 OE1 GLU B 72 7.232 -4.965 8.101 1.00 0.00 O ATOM 2619 OE2 GLU B 72 6.516 -6.338 9.598 1.00 0.00 O ATOM 0 H GLU B 72 4.669 -7.282 4.349 1.00 0.00 H new ATOM 0 HA GLU B 72 4.637 -4.886 6.035 1.00 0.00 H new ATOM 0 HB2 GLU B 72 6.510 -7.160 5.401 1.00 0.00 H new ATOM 0 HB3 GLU B 72 7.197 -5.697 6.078 1.00 0.00 H new ATOM 0 HG2 GLU B 72 4.718 -6.459 7.478 1.00 0.00 H new ATOM 0 HG3 GLU B 72 5.893 -7.759 7.515 1.00 0.00 H new ATOM 2626 N PHE B 73 6.377 -4.978 3.227 1.00 0.00 N ATOM 2627 CA PHE B 73 7.013 -4.092 2.217 1.00 0.00 C ATOM 2628 C PHE B 73 5.920 -3.252 1.543 1.00 0.00 C ATOM 2629 O PHE B 73 6.153 -2.142 1.111 1.00 0.00 O ATOM 2630 CB PHE B 73 7.747 -4.966 1.181 1.00 0.00 C ATOM 2631 CG PHE B 73 7.618 -4.380 -0.209 1.00 0.00 C ATOM 2632 CD1 PHE B 73 8.270 -3.186 -0.531 1.00 0.00 C ATOM 2633 CD2 PHE B 73 6.839 -5.033 -1.170 1.00 0.00 C ATOM 2634 CE1 PHE B 73 8.144 -2.645 -1.816 1.00 0.00 C ATOM 2635 CE2 PHE B 73 6.712 -4.494 -2.455 1.00 0.00 C ATOM 2636 CZ PHE B 73 7.364 -3.300 -2.778 1.00 0.00 C ATOM 0 H PHE B 73 6.393 -5.973 3.001 1.00 0.00 H new ATOM 0 HA PHE B 73 7.734 -3.423 2.686 1.00 0.00 H new ATOM 0 HB2 PHE B 73 8.800 -5.048 1.449 1.00 0.00 H new ATOM 0 HB3 PHE B 73 7.336 -5.975 1.194 1.00 0.00 H new ATOM 0 HD1 PHE B 73 8.871 -2.681 0.211 1.00 0.00 H new ATOM 0 HD2 PHE B 73 6.335 -5.955 -0.920 1.00 0.00 H new ATOM 0 HE1 PHE B 73 8.648 -1.723 -2.066 1.00 0.00 H new ATOM 0 HE2 PHE B 73 6.111 -5.000 -3.196 1.00 0.00 H new ATOM 0 HZ PHE B 73 7.266 -2.883 -3.769 1.00 0.00 H new ATOM 2646 N MET B 74 4.732 -3.781 1.450 1.00 0.00 N ATOM 2647 CA MET B 74 3.624 -3.025 0.803 1.00 0.00 C ATOM 2648 C MET B 74 3.149 -1.917 1.742 1.00 0.00 C ATOM 2649 O MET B 74 2.960 -0.786 1.341 1.00 0.00 O ATOM 2650 CB MET B 74 2.465 -3.979 0.515 1.00 0.00 C ATOM 2651 CG MET B 74 2.363 -4.218 -0.993 1.00 0.00 C ATOM 2652 SD MET B 74 0.702 -3.785 -1.564 1.00 0.00 S ATOM 2653 CE MET B 74 1.105 -2.144 -2.210 1.00 0.00 C ATOM 0 H MET B 74 4.480 -4.707 1.795 1.00 0.00 H new ATOM 0 HA MET B 74 3.976 -2.584 -0.130 1.00 0.00 H new ATOM 0 HB2 MET B 74 2.621 -4.925 1.034 1.00 0.00 H new ATOM 0 HB3 MET B 74 1.532 -3.559 0.891 1.00 0.00 H new ATOM 0 HG2 MET B 74 3.107 -3.618 -1.518 1.00 0.00 H new ATOM 0 HG3 MET B 74 2.576 -5.262 -1.221 1.00 0.00 H new ATOM 0 HE1 MET B 74 0.490 -1.395 -1.710 1.00 0.00 H new ATOM 0 HE2 MET B 74 2.158 -1.930 -2.028 1.00 0.00 H new ATOM 0 HE3 MET B 74 0.910 -2.117 -3.282 1.00 0.00 H new ATOM 2663 N ALA B 75 2.960 -2.232 2.991 1.00 0.00 N ATOM 2664 CA ALA B 75 2.502 -1.198 3.959 1.00 0.00 C ATOM 2665 C ALA B 75 3.653 -0.233 4.239 1.00 0.00 C ATOM 2666 O ALA B 75 3.456 0.863 4.722 1.00 0.00 O ATOM 2667 CB ALA B 75 2.073 -1.874 5.265 1.00 0.00 C ATOM 0 H ALA B 75 3.103 -3.162 3.385 1.00 0.00 H new ATOM 0 HA ALA B 75 1.656 -0.652 3.541 1.00 0.00 H new ATOM 0 HB1 ALA B 75 1.738 -1.117 5.974 1.00 0.00 H new ATOM 0 HB2 ALA B 75 1.258 -2.569 5.064 1.00 0.00 H new ATOM 0 HB3 ALA B 75 2.918 -2.418 5.688 1.00 0.00 H new ATOM 2673 N PHE B 76 4.856 -0.636 3.935 1.00 0.00 N ATOM 2674 CA PHE B 76 6.027 0.250 4.178 1.00 0.00 C ATOM 2675 C PHE B 76 6.134 1.278 3.051 1.00 0.00 C ATOM 2676 O PHE B 76 6.471 2.424 3.273 1.00 0.00 O ATOM 2677 CB PHE B 76 7.301 -0.596 4.220 1.00 0.00 C ATOM 2678 CG PHE B 76 7.912 -0.513 5.596 1.00 0.00 C ATOM 2679 CD1 PHE B 76 7.190 -0.954 6.711 1.00 0.00 C ATOM 2680 CD2 PHE B 76 9.201 0.008 5.759 1.00 0.00 C ATOM 2681 CE1 PHE B 76 7.757 -0.877 7.988 1.00 0.00 C ATOM 2682 CE2 PHE B 76 9.768 0.085 7.036 1.00 0.00 C ATOM 2683 CZ PHE B 76 9.046 -0.357 8.151 1.00 0.00 C ATOM 0 H PHE B 76 5.078 -1.544 3.527 1.00 0.00 H new ATOM 0 HA PHE B 76 5.901 0.768 5.129 1.00 0.00 H new ATOM 0 HB2 PHE B 76 7.071 -1.633 3.974 1.00 0.00 H new ATOM 0 HB3 PHE B 76 8.011 -0.241 3.473 1.00 0.00 H new ATOM 0 HD1 PHE B 76 6.195 -1.354 6.586 1.00 0.00 H new ATOM 0 HD2 PHE B 76 9.758 0.350 4.899 1.00 0.00 H new ATOM 0 HE1 PHE B 76 7.200 -1.219 8.848 1.00 0.00 H new ATOM 0 HE2 PHE B 76 10.763 0.486 7.161 1.00 0.00 H new ATOM 0 HZ PHE B 76 9.484 -0.297 9.137 1.00 0.00 H new ATOM 2693 N VAL B 77 5.851 0.878 1.842 1.00 0.00 N ATOM 2694 CA VAL B 77 5.938 1.829 0.700 1.00 0.00 C ATOM 2695 C VAL B 77 4.809 2.857 0.801 1.00 0.00 C ATOM 2696 O VAL B 77 4.922 3.966 0.321 1.00 0.00 O ATOM 2697 CB VAL B 77 5.801 1.057 -0.613 1.00 0.00 C ATOM 2698 CG1 VAL B 77 5.799 2.037 -1.786 1.00 0.00 C ATOM 2699 CG2 VAL B 77 6.978 0.093 -0.759 1.00 0.00 C ATOM 0 H VAL B 77 5.563 -0.069 1.596 1.00 0.00 H new ATOM 0 HA VAL B 77 6.900 2.341 0.728 1.00 0.00 H new ATOM 0 HB VAL B 77 4.866 0.496 -0.608 1.00 0.00 H new ATOM 0 HG11 VAL B 77 5.701 1.485 -2.721 1.00 0.00 H new ATOM 0 HG12 VAL B 77 4.961 2.727 -1.682 1.00 0.00 H new ATOM 0 HG13 VAL B 77 6.733 2.599 -1.792 1.00 0.00 H new ATOM 0 HG21 VAL B 77 6.883 -0.459 -1.694 1.00 0.00 H new ATOM 0 HG22 VAL B 77 7.911 0.656 -0.763 1.00 0.00 H new ATOM 0 HG23 VAL B 77 6.981 -0.607 0.076 1.00 0.00 H new ATOM 2709 N SER B 78 3.720 2.497 1.421 1.00 0.00 N ATOM 2710 CA SER B 78 2.586 3.453 1.548 1.00 0.00 C ATOM 2711 C SER B 78 2.907 4.491 2.625 1.00 0.00 C ATOM 2712 O SER B 78 2.406 5.595 2.599 1.00 0.00 O ATOM 2713 CB SER B 78 1.319 2.691 1.934 1.00 0.00 C ATOM 2714 OG SER B 78 0.803 2.025 0.789 1.00 0.00 O ATOM 0 H SER B 78 3.567 1.582 1.845 1.00 0.00 H new ATOM 0 HA SER B 78 2.430 3.959 0.595 1.00 0.00 H new ATOM 0 HB2 SER B 78 1.541 1.969 2.720 1.00 0.00 H new ATOM 0 HB3 SER B 78 0.575 3.379 2.334 1.00 0.00 H new ATOM 0 HG SER B 78 0.429 2.684 0.168 1.00 0.00 H new ATOM 2720 N MET B 79 3.739 4.147 3.568 1.00 0.00 N ATOM 2721 CA MET B 79 4.093 5.115 4.643 1.00 0.00 C ATOM 2722 C MET B 79 4.941 6.237 4.048 1.00 0.00 C ATOM 2723 O MET B 79 4.670 7.405 4.241 1.00 0.00 O ATOM 2724 CB MET B 79 4.897 4.408 5.740 1.00 0.00 C ATOM 2725 CG MET B 79 4.492 2.935 5.828 1.00 0.00 C ATOM 2726 SD MET B 79 5.116 2.232 7.374 1.00 0.00 S ATOM 2727 CE MET B 79 3.823 2.881 8.457 1.00 0.00 C ATOM 0 H MET B 79 4.190 3.235 3.641 1.00 0.00 H new ATOM 0 HA MET B 79 3.179 5.524 5.073 1.00 0.00 H new ATOM 0 HB2 MET B 79 5.963 4.487 5.528 1.00 0.00 H new ATOM 0 HB3 MET B 79 4.726 4.897 6.699 1.00 0.00 H new ATOM 0 HG2 MET B 79 3.407 2.842 5.785 1.00 0.00 H new ATOM 0 HG3 MET B 79 4.893 2.385 4.977 1.00 0.00 H new ATOM 0 HE1 MET B 79 4.280 3.372 9.316 1.00 0.00 H new ATOM 0 HE2 MET B 79 3.216 3.601 7.908 1.00 0.00 H new ATOM 0 HE3 MET B 79 3.192 2.062 8.801 1.00 0.00 H new ATOM 2737 N VAL B 80 5.971 5.888 3.331 1.00 0.00 N ATOM 2738 CA VAL B 80 6.845 6.925 2.728 1.00 0.00 C ATOM 2739 C VAL B 80 6.102 7.636 1.593 1.00 0.00 C ATOM 2740 O VAL B 80 6.181 8.839 1.450 1.00 0.00 O ATOM 2741 CB VAL B 80 8.109 6.260 2.191 1.00 0.00 C ATOM 2742 CG1 VAL B 80 8.985 5.830 3.369 1.00 0.00 C ATOM 2743 CG2 VAL B 80 7.742 5.028 1.358 1.00 0.00 C ATOM 0 H VAL B 80 6.245 4.925 3.137 1.00 0.00 H new ATOM 0 HA VAL B 80 7.115 7.663 3.484 1.00 0.00 H new ATOM 0 HB VAL B 80 8.648 6.967 1.561 1.00 0.00 H new ATOM 0 HG11 VAL B 80 9.891 5.354 2.994 1.00 0.00 H new ATOM 0 HG12 VAL B 80 9.254 6.705 3.961 1.00 0.00 H new ATOM 0 HG13 VAL B 80 8.436 5.125 3.993 1.00 0.00 H new ATOM 0 HG21 VAL B 80 8.651 4.561 0.979 1.00 0.00 H new ATOM 0 HG22 VAL B 80 7.200 4.316 1.981 1.00 0.00 H new ATOM 0 HG23 VAL B 80 7.113 5.329 0.520 1.00 0.00 H new ATOM 2753 N THR B 81 5.374 6.908 0.791 1.00 0.00 N ATOM 2754 CA THR B 81 4.622 7.554 -0.322 1.00 0.00 C ATOM 2755 C THR B 81 3.515 8.430 0.269 1.00 0.00 C ATOM 2756 O THR B 81 2.880 9.200 -0.423 1.00 0.00 O ATOM 2757 CB THR B 81 4.004 6.476 -1.220 1.00 0.00 C ATOM 2758 OG1 THR B 81 5.000 5.528 -1.575 1.00 0.00 O ATOM 2759 CG2 THR B 81 3.440 7.121 -2.487 1.00 0.00 C ATOM 0 H THR B 81 5.267 5.896 0.858 1.00 0.00 H new ATOM 0 HA THR B 81 5.298 8.168 -0.917 1.00 0.00 H new ATOM 0 HB THR B 81 3.199 5.976 -0.681 1.00 0.00 H new ATOM 0 HG1 THR B 81 5.244 4.999 -0.787 1.00 0.00 H new ATOM 0 HG21 THR B 81 3.002 6.352 -3.123 1.00 0.00 H new ATOM 0 HG22 THR B 81 2.674 7.847 -2.215 1.00 0.00 H new ATOM 0 HG23 THR B 81 4.242 7.624 -3.027 1.00 0.00 H new ATOM 2767 N THR B 82 3.280 8.315 1.549 1.00 0.00 N ATOM 2768 CA THR B 82 2.220 9.137 2.196 1.00 0.00 C ATOM 2769 C THR B 82 2.863 10.095 3.200 1.00 0.00 C ATOM 2770 O THR B 82 2.232 11.005 3.698 1.00 0.00 O ATOM 2771 CB THR B 82 1.248 8.215 2.931 1.00 0.00 C ATOM 2772 OG1 THR B 82 1.962 7.465 3.902 1.00 0.00 O ATOM 2773 CG2 THR B 82 0.583 7.267 1.931 1.00 0.00 C ATOM 0 H THR B 82 3.780 7.684 2.176 1.00 0.00 H new ATOM 0 HA THR B 82 1.685 9.708 1.437 1.00 0.00 H new ATOM 0 HB THR B 82 0.479 8.810 3.423 1.00 0.00 H new ATOM 0 HG1 THR B 82 2.440 6.732 3.462 1.00 0.00 H new ATOM 0 HG21 THR B 82 -0.110 6.610 2.457 1.00 0.00 H new ATOM 0 HG22 THR B 82 0.038 7.847 1.186 1.00 0.00 H new ATOM 0 HG23 THR B 82 1.346 6.667 1.436 1.00 0.00 H new ATOM 2781 N ALA B 83 4.116 9.894 3.503 1.00 0.00 N ATOM 2782 CA ALA B 83 4.801 10.788 4.477 1.00 0.00 C ATOM 2783 C ALA B 83 5.367 12.001 3.741 1.00 0.00 C ATOM 2784 O ALA B 83 6.539 12.296 3.825 1.00 0.00 O ATOM 2785 CB ALA B 83 5.940 10.026 5.157 1.00 0.00 C ATOM 0 H ALA B 83 4.695 9.148 3.117 1.00 0.00 H new ATOM 0 HA ALA B 83 4.087 11.120 5.231 1.00 0.00 H new ATOM 0 HB1 ALA B 83 6.441 10.681 5.870 1.00 0.00 H new ATOM 0 HB2 ALA B 83 5.536 9.160 5.681 1.00 0.00 H new ATOM 0 HB3 ALA B 83 6.655 9.694 4.405 1.00 0.00 H new ATOM 2791 N CYS B 84 4.540 12.703 3.018 1.00 0.00 N ATOM 2792 CA CYS B 84 5.033 13.895 2.276 1.00 0.00 C ATOM 2793 C CYS B 84 4.225 15.125 2.692 1.00 0.00 C ATOM 2794 O CYS B 84 3.263 15.029 3.427 1.00 0.00 O ATOM 2795 CB CYS B 84 4.873 13.660 0.772 1.00 0.00 C ATOM 2796 SG CYS B 84 5.878 12.238 0.279 1.00 0.00 S ATOM 0 H CYS B 84 3.546 12.503 2.909 1.00 0.00 H new ATOM 0 HA CYS B 84 6.085 14.059 2.507 1.00 0.00 H new ATOM 0 HB2 CYS B 84 3.825 13.481 0.530 1.00 0.00 H new ATOM 0 HB3 CYS B 84 5.181 14.547 0.219 1.00 0.00 H new ATOM 0 HG CYS B 84 5.743 12.033 -0.998 1.00 0.00 H new ATOM 2802 N HIS B 85 4.611 16.281 2.229 1.00 0.00 N ATOM 2803 CA HIS B 85 3.868 17.518 2.596 1.00 0.00 C ATOM 2804 C HIS B 85 2.916 17.886 1.455 1.00 0.00 C ATOM 2805 O HIS B 85 3.192 17.628 0.301 1.00 0.00 O ATOM 2806 CB HIS B 85 4.860 18.660 2.831 1.00 0.00 C ATOM 2807 CG HIS B 85 4.203 19.751 3.635 1.00 0.00 C ATOM 2808 ND1 HIS B 85 3.152 19.503 4.505 1.00 0.00 N ATOM 2809 CD2 HIS B 85 4.439 21.101 3.710 1.00 0.00 C ATOM 2810 CE1 HIS B 85 2.800 20.676 5.060 1.00 0.00 C ATOM 2811 NE2 HIS B 85 3.553 21.683 4.610 1.00 0.00 N ATOM 0 H HIS B 85 5.410 16.422 1.611 1.00 0.00 H new ATOM 0 HA HIS B 85 3.296 17.349 3.508 1.00 0.00 H new ATOM 0 HB2 HIS B 85 5.739 18.288 3.357 1.00 0.00 H new ATOM 0 HB3 HIS B 85 5.204 19.057 1.876 1.00 0.00 H new ATOM 0 HD2 HIS B 85 5.198 21.631 3.154 1.00 0.00 H new ATOM 0 HE1 HIS B 85 2.005 20.790 5.782 1.00 0.00 H new ATOM 0 HE2 HIS B 85 3.491 22.667 4.870 1.00 0.00 H new ATOM 2819 N GLU B 86 1.799 18.483 1.767 1.00 0.00 N ATOM 2820 CA GLU B 86 0.834 18.858 0.693 1.00 0.00 C ATOM 2821 C GLU B 86 0.549 17.638 -0.185 1.00 0.00 C ATOM 2822 O GLU B 86 0.900 17.601 -1.347 1.00 0.00 O ATOM 2823 CB GLU B 86 1.429 19.975 -0.165 1.00 0.00 C ATOM 2824 CG GLU B 86 1.243 21.316 0.547 1.00 0.00 C ATOM 2825 CD GLU B 86 2.606 21.965 0.783 1.00 0.00 C ATOM 2826 OE1 GLU B 86 3.365 22.065 -0.167 1.00 0.00 O ATOM 2827 OE2 GLU B 86 2.870 22.351 1.911 1.00 0.00 O ATOM 0 H GLU B 86 1.513 18.727 2.715 1.00 0.00 H new ATOM 0 HA GLU B 86 -0.094 19.206 1.146 1.00 0.00 H new ATOM 0 HB2 GLU B 86 2.488 19.788 -0.341 1.00 0.00 H new ATOM 0 HB3 GLU B 86 0.943 19.998 -1.140 1.00 0.00 H new ATOM 0 HG2 GLU B 86 0.615 21.974 -0.054 1.00 0.00 H new ATOM 0 HG3 GLU B 86 0.731 21.167 1.497 1.00 0.00 H new ATOM 2834 N PHE B 87 -0.083 16.639 0.364 1.00 0.00 N ATOM 2835 CA PHE B 87 -0.388 15.419 -0.434 1.00 0.00 C ATOM 2836 C PHE B 87 0.857 14.982 -1.208 1.00 0.00 C ATOM 2837 O PHE B 87 1.968 15.329 -0.863 1.00 0.00 O ATOM 2838 CB PHE B 87 -1.519 15.712 -1.421 1.00 0.00 C ATOM 2839 CG PHE B 87 -2.401 14.493 -1.542 1.00 0.00 C ATOM 2840 CD1 PHE B 87 -3.000 13.952 -0.400 1.00 0.00 C ATOM 2841 CD2 PHE B 87 -2.616 13.903 -2.794 1.00 0.00 C ATOM 2842 CE1 PHE B 87 -3.815 12.821 -0.507 1.00 0.00 C ATOM 2843 CE2 PHE B 87 -3.431 12.770 -2.902 1.00 0.00 C ATOM 2844 CZ PHE B 87 -4.031 12.230 -1.758 1.00 0.00 C ATOM 0 H PHE B 87 -0.402 16.615 1.332 1.00 0.00 H new ATOM 0 HA PHE B 87 -0.695 14.622 0.243 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -2.104 16.566 -1.079 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -1.108 15.976 -2.395 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -2.833 14.408 0.565 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -2.153 14.322 -3.675 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -4.278 12.403 0.375 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -3.597 12.313 -3.866 1.00 0.00 H new ATOM 0 HZ PHE B 87 -4.661 11.357 -1.840 1.00 0.00 H new ATOM 2854 N PHE B 88 0.675 14.216 -2.249 1.00 0.00 N ATOM 2855 CA PHE B 88 1.840 13.743 -3.048 1.00 0.00 C ATOM 2856 C PHE B 88 1.438 13.660 -4.522 1.00 0.00 C ATOM 2857 O PHE B 88 0.763 12.741 -4.940 1.00 0.00 O ATOM 2858 CB PHE B 88 2.280 12.352 -2.570 1.00 0.00 C ATOM 2859 CG PHE B 88 1.254 11.773 -1.623 1.00 0.00 C ATOM 2860 CD1 PHE B 88 1.300 12.092 -0.259 1.00 0.00 C ATOM 2861 CD2 PHE B 88 0.253 10.924 -2.110 1.00 0.00 C ATOM 2862 CE1 PHE B 88 0.346 11.561 0.616 1.00 0.00 C ATOM 2863 CE2 PHE B 88 -0.700 10.393 -1.234 1.00 0.00 C ATOM 2864 CZ PHE B 88 -0.653 10.711 0.128 1.00 0.00 C ATOM 0 H PHE B 88 -0.235 13.896 -2.581 1.00 0.00 H new ATOM 0 HA PHE B 88 2.666 14.443 -2.922 1.00 0.00 H new ATOM 0 HB2 PHE B 88 2.409 11.690 -3.426 1.00 0.00 H new ATOM 0 HB3 PHE B 88 3.247 12.420 -2.072 1.00 0.00 H new ATOM 0 HD1 PHE B 88 2.072 12.748 0.117 1.00 0.00 H new ATOM 0 HD2 PHE B 88 0.216 10.679 -3.161 1.00 0.00 H new ATOM 0 HE1 PHE B 88 0.381 11.807 1.667 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -1.472 9.738 -1.609 1.00 0.00 H new ATOM 0 HZ PHE B 88 -1.389 10.300 0.803 1.00 0.00 H new ATOM 2874 N GLU B 89 1.847 14.613 -5.315 1.00 0.00 N ATOM 2875 CA GLU B 89 1.483 14.581 -6.761 1.00 0.00 C ATOM 2876 C GLU B 89 2.588 15.238 -7.587 1.00 0.00 C ATOM 2877 O GLU B 89 3.425 14.573 -8.165 1.00 0.00 O ATOM 2878 CB GLU B 89 0.171 15.335 -6.975 1.00 0.00 C ATOM 2879 CG GLU B 89 -0.860 14.393 -7.597 1.00 0.00 C ATOM 2880 CD GLU B 89 -0.694 14.389 -9.118 1.00 0.00 C ATOM 2881 OE1 GLU B 89 -0.649 15.464 -9.691 1.00 0.00 O ATOM 2882 OE2 GLU B 89 -0.613 13.311 -9.683 1.00 0.00 O ATOM 0 H GLU B 89 2.415 15.409 -5.026 1.00 0.00 H new ATOM 0 HA GLU B 89 1.364 13.545 -7.078 1.00 0.00 H new ATOM 0 HB2 GLU B 89 -0.199 15.721 -6.025 1.00 0.00 H new ATOM 0 HB3 GLU B 89 0.334 16.194 -7.626 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -0.731 13.385 -7.204 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -1.868 14.713 -7.331 1.00 0.00 H new ATOM 2889 N HIS B 90 2.596 16.539 -7.651 1.00 0.00 N ATOM 2890 CA HIS B 90 3.644 17.240 -8.445 1.00 0.00 C ATOM 2891 C HIS B 90 3.953 18.593 -7.801 1.00 0.00 C ATOM 2892 O HIS B 90 3.771 19.632 -8.402 1.00 0.00 O ATOM 2893 CB HIS B 90 3.137 17.459 -9.872 1.00 0.00 C ATOM 2894 CG HIS B 90 4.297 17.440 -10.828 1.00 0.00 C ATOM 2895 ND1 HIS B 90 4.526 18.466 -11.730 1.00 0.00 N ATOM 2896 CD2 HIS B 90 5.300 16.526 -11.037 1.00 0.00 C ATOM 2897 CE1 HIS B 90 5.628 18.148 -12.434 1.00 0.00 C ATOM 2898 NE2 HIS B 90 6.139 16.975 -12.052 1.00 0.00 N ATOM 0 H HIS B 90 1.922 17.149 -7.188 1.00 0.00 H new ATOM 0 HA HIS B 90 4.550 16.634 -8.468 1.00 0.00 H new ATOM 0 HB2 HIS B 90 2.421 16.681 -10.138 1.00 0.00 H new ATOM 0 HB3 HIS B 90 2.612 18.412 -9.940 1.00 0.00 H new ATOM 0 HD2 HIS B 90 5.420 15.599 -10.496 1.00 0.00 H new ATOM 0 HE1 HIS B 90 6.048 18.766 -13.213 1.00 0.00 H new ATOM 0 HE2 HIS B 90 6.966 16.509 -12.424 1.00 0.00 H new ATOM 2906 N GLU B 91 4.419 18.588 -6.583 1.00 0.00 N ATOM 2907 CA GLU B 91 4.738 19.875 -5.906 1.00 0.00 C ATOM 2908 C GLU B 91 3.442 20.640 -5.633 1.00 0.00 C ATOM 2909 O GLU B 91 2.496 20.448 -6.379 1.00 0.00 O ATOM 2910 CB GLU B 91 5.644 20.713 -6.809 1.00 0.00 C ATOM 2911 CG GLU B 91 6.577 21.565 -5.946 1.00 0.00 C ATOM 2912 CD GLU B 91 7.675 22.166 -6.825 1.00 0.00 C ATOM 2913 OE1 GLU B 91 7.412 23.174 -7.458 1.00 0.00 O ATOM 2914 OE2 GLU B 91 8.758 21.608 -6.850 1.00 0.00 O ATOM 2915 OXT GLU B 91 3.417 21.405 -4.681 1.00 0.00 O ATOM 0 H GLU B 91 4.592 17.750 -6.028 1.00 0.00 H new ATOM 0 HA GLU B 91 5.248 19.675 -4.964 1.00 0.00 H new ATOM 0 HB2 GLU B 91 6.227 20.063 -7.461 1.00 0.00 H new ATOM 0 HB3 GLU B 91 5.041 21.353 -7.453 1.00 0.00 H new ATOM 0 HG2 GLU B 91 6.013 22.359 -5.456 1.00 0.00 H new ATOM 0 HG3 GLU B 91 7.020 20.955 -5.158 1.00 0.00 H new TER 2922 GLU B 91