USER MOD reduce.3.24.130724 H: found=0, std=0, add=1424, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1422 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 NoAdj-H: A 25 HIS HD1 : A 25 HIS ND1 : A 94 ZNZN :(H bumps) USER MOD NoAdj-H: A 85 HIS HE2 : A 85 HIS NE2 : B 94 ZNZN :(H bumps) USER MOD NoAdj-H: B 25 HIS HD1 : B 25 HIS ND1 : B 94 ZNZN :(H bumps) USER MOD NoAdj-H: B 85 HIS HE2 : B 85 HIS NE2 : A 94 ZNZN :(H bumps) USER MOD Set 1.1: B 57 MET CE :methyl 160:sc= -0.0601 (180deg=-0.473) USER MOD Set 1.2: B 68 CYS SG : rot -24:sc= -0.277 USER MOD Set 2.1: B 29 LYS NZ :NH3+ -109:sc= -1.55 (180deg=-3.67!) USER MOD Set 2.2: B 50 GLN : amide:sc= -0.124 K(o=-1.7,f=-6.3!) USER MOD Set 3.1: B 28 LYS NZ :NH3+ 139:sc= -2 (180deg=-4.6!) USER MOD Set 3.2: B 30 SER OG : rot 180:sc= -0.181 USER MOD Set 4.1: A 81 THR OG1 : rot 56:sc= -1.3 USER MOD Set 4.2: B 7 MET CE :methyl -153:sc= -0.763 (180deg=-1.61!) USER MOD Set 5.1: A 57 MET CE :methyl 164:sc= -0.0751 (180deg=-0.447) USER MOD Set 5.2: A 68 CYS SG : rot -22:sc= -0.269 USER MOD Set 6.1: A 29 LYS NZ :NH3+ -110:sc= -1.53 (180deg=-3.72!) USER MOD Set 6.2: A 50 GLN : amide:sc= -0.125 K(o=-1.7,f=-6.4!) USER MOD Set 7.1: A 28 LYS NZ :NH3+ 135:sc= -2.01 (180deg=-4.61!) USER MOD Set 7.2: A 30 SER OG : rot 180:sc= -0.197 USER MOD Set 8.1: A 7 MET CE :methyl -151:sc= -0.625 (180deg=-1.66!) USER MOD Set 8.2: B 81 THR OG1 : rot 63:sc= -1.07 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -135:sc= 0.0176 (180deg=-0.436) USER MOD Single : A 1 SER OG : rot 57:sc= 0.0349 USER MOD Single : A 5 LYS NZ :NH3+ -164:sc= -0.917 (180deg=-1.19) USER MOD Single : A 15 HIS :FLIP no HE2:sc= -5.35! C(o=-5.9!,f=-5.4!) USER MOD Single : A 16 GLN : amide:sc= -0.421 K(o=-0.42,f=-2.1!) USER MOD Single : A 17 TYR OH : rot 30:sc= -0.142 USER MOD Single : A 18 SER OG : rot 119:sc= -0.234 USER MOD Single : A 24 LYS NZ :NH3+ -157:sc= -0.011 (180deg=-0.741) USER MOD Single : A 26 LYS NZ :NH3+ -147:sc= 0.374 (180deg=0.0693) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0.242 K(o=0.24,f=-0.61) USER MOD Single : A 38 ASN : amide:sc= -0.737 X(o=-0.74,f=-0.77) USER MOD Single : A 41 SER OG : rot 163:sc= 0.607 USER MOD Single : A 42 HIS : no HD1:sc= -5.76! C(o=-5.8!,f=-14!) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= -0.0551 (180deg=-0.498) USER MOD Single : A 55 LYS NZ :NH3+ -132:sc= -0.291 (180deg=-1.26!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -1.26 X(o=-1.3,f=-1.6!) USER MOD Single : A 74 MET CE :methyl -176:sc= -1.29 (180deg=-1.3) USER MOD Single : A 78 SER OG : rot 174:sc= 0.594 USER MOD Single : A 79 MET CE :methyl 163:sc= -0.0263 (180deg=-0.548) USER MOD Single : A 82 THR OG1 : rot -91:sc= -0.543 USER MOD Single : A 84 CYS SG : rot 62:sc= 1.3 USER MOD Single : A 90 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-2.2!) USER MOD Single : B 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 0 MET N :NH3+ -143:sc= -0.0518 (180deg=-0.506) USER MOD Single : B 1 SER OG : rot 55:sc= 0.0369 USER MOD Single : B 5 LYS NZ :NH3+ -162:sc= -1.01 (180deg=-1.31) USER MOD Single : B 15 HIS : no HD1:sc= -5.51! C(o=-5.5!,f=-5.5!) USER MOD Single : B 16 GLN : amide:sc= -0.455 K(o=-0.46,f=-2!) USER MOD Single : B 17 TYR OH : rot 30:sc= -0.133 USER MOD Single : B 18 SER OG : rot 113:sc= -0.143 USER MOD Single : B 24 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.533) USER MOD Single : B 26 LYS NZ :NH3+ -151:sc= 0.367 (180deg=0.107) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 ASN : amide:sc= 0.204 K(o=0.2,f=-0.49) USER MOD Single : B 38 ASN : amide:sc= -0.805 X(o=-0.81,f=-0.97) USER MOD Single : B 41 SER OG : rot 164:sc= 0.694 USER MOD Single : B 42 HIS : no HD1:sc= -5.78! C(o=-5.8!,f=-14!) USER MOD Single : B 48 LYS NZ :NH3+ -161:sc= -0.0604 (180deg=-0.58) USER MOD Single : B 55 LYS NZ :NH3+ -146:sc= -0.251 (180deg=-1.34!) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc= -1.34 X(o=-1.3,f=-1.6!) USER MOD Single : B 74 MET CE :methyl -172:sc= -1.28 (180deg=-1.29) USER MOD Single : B 78 SER OG : rot 170:sc= 0.556 USER MOD Single : B 79 MET CE :methyl 163:sc= -0.028 (180deg=-0.606) USER MOD Single : B 82 THR OG1 : rot -87:sc= -0.566 USER MOD Single : B 84 CYS SG : rot 70:sc= 1.29 USER MOD Single : B 90 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -11.771 1.118 16.475 1.00 0.00 N ATOM 2 CA MET A 0 -10.668 2.109 16.324 1.00 0.00 C ATOM 3 C MET A 0 -10.299 2.237 14.844 1.00 0.00 C ATOM 4 O MET A 0 -10.730 1.455 14.019 1.00 0.00 O ATOM 5 CB MET A 0 -9.448 1.637 17.115 1.00 0.00 C ATOM 6 CG MET A 0 -9.812 1.527 18.597 1.00 0.00 C ATOM 7 SD MET A 0 -8.325 1.135 19.556 1.00 0.00 S ATOM 8 CE MET A 0 -8.009 2.795 20.207 1.00 0.00 C ATOM 0 H1 MET A 0 -12.491 1.496 17.124 1.00 0.00 H new ATOM 0 H2 MET A 0 -12.203 0.935 15.547 1.00 0.00 H new ATOM 0 H3 MET A 0 -11.390 0.230 16.860 1.00 0.00 H new ATOM 0 HA MET A 0 -10.994 3.078 16.703 1.00 0.00 H new ATOM 0 HB2 MET A 0 -9.110 0.671 16.740 1.00 0.00 H new ATOM 0 HB3 MET A 0 -8.623 2.337 16.983 1.00 0.00 H new ATOM 0 HG2 MET A 0 -10.247 2.464 18.946 1.00 0.00 H new ATOM 0 HG3 MET A 0 -10.565 0.753 18.741 1.00 0.00 H new ATOM 0 HE1 MET A 0 -7.119 2.776 20.836 1.00 0.00 H new ATOM 0 HE2 MET A 0 -7.853 3.487 19.379 1.00 0.00 H new ATOM 0 HE3 MET A 0 -8.864 3.123 20.798 1.00 0.00 H new ATOM 20 N SER A 1 -9.504 3.217 14.499 1.00 0.00 N ATOM 21 CA SER A 1 -9.110 3.393 13.070 1.00 0.00 C ATOM 22 C SER A 1 -7.851 2.566 12.782 1.00 0.00 C ATOM 23 O SER A 1 -6.746 3.071 12.754 1.00 0.00 O ATOM 24 CB SER A 1 -8.846 4.873 12.787 1.00 0.00 C ATOM 25 OG SER A 1 -8.159 5.450 13.889 1.00 0.00 O ATOM 0 H SER A 1 -9.111 3.902 15.145 1.00 0.00 H new ATOM 0 HA SER A 1 -9.917 3.050 12.423 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.254 4.981 11.878 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.787 5.396 12.617 1.00 0.00 H new ATOM 0 HG SER A 1 -7.331 4.952 14.056 1.00 0.00 H new ATOM 31 N GLU A 2 -8.027 1.296 12.563 1.00 0.00 N ATOM 32 CA GLU A 2 -6.862 0.414 12.266 1.00 0.00 C ATOM 33 C GLU A 2 -6.025 1.048 11.150 1.00 0.00 C ATOM 34 O GLU A 2 -4.819 0.901 11.097 1.00 0.00 O ATOM 35 CB GLU A 2 -7.366 -0.955 11.798 1.00 0.00 C ATOM 36 CG GLU A 2 -7.954 -1.725 12.983 1.00 0.00 C ATOM 37 CD GLU A 2 -8.201 -3.179 12.573 1.00 0.00 C ATOM 38 OE1 GLU A 2 -8.773 -3.386 11.516 1.00 0.00 O ATOM 39 OE2 GLU A 2 -7.812 -4.059 13.321 1.00 0.00 O ATOM 0 H GLU A 2 -8.932 0.826 12.576 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.255 0.294 13.164 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -8.122 -0.829 11.023 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.547 -1.522 11.355 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.271 -1.686 13.831 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.887 -1.263 13.304 1.00 0.00 H new ATOM 46 N LEU A 3 -6.666 1.733 10.245 1.00 0.00 N ATOM 47 CA LEU A 3 -5.939 2.356 9.110 1.00 0.00 C ATOM 48 C LEU A 3 -5.105 3.562 9.577 1.00 0.00 C ATOM 49 O LEU A 3 -4.177 3.950 8.913 1.00 0.00 O ATOM 50 CB LEU A 3 -6.988 2.807 8.057 1.00 0.00 C ATOM 51 CG LEU A 3 -6.729 2.171 6.681 1.00 0.00 C ATOM 52 CD1 LEU A 3 -5.428 2.728 6.084 1.00 0.00 C ATOM 53 CD2 LEU A 3 -6.659 0.628 6.787 1.00 0.00 C ATOM 0 H LEU A 3 -7.674 1.888 10.246 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.249 1.631 8.678 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.986 2.536 8.400 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.966 3.893 7.965 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.559 2.424 6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.251 2.273 5.109 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.513 3.809 5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.595 2.498 6.748 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.475 0.203 5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.849 0.346 7.460 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.603 0.247 7.176 1.00 0.00 H new ATOM 65 N GLU A 4 -5.414 4.155 10.693 1.00 0.00 N ATOM 66 CA GLU A 4 -4.612 5.331 11.144 1.00 0.00 C ATOM 67 C GLU A 4 -3.232 4.853 11.579 1.00 0.00 C ATOM 68 O GLU A 4 -2.241 5.534 11.411 1.00 0.00 O ATOM 69 CB GLU A 4 -5.317 6.019 12.318 1.00 0.00 C ATOM 70 CG GLU A 4 -4.546 7.280 12.731 1.00 0.00 C ATOM 71 CD GLU A 4 -4.545 8.288 11.579 1.00 0.00 C ATOM 72 OE1 GLU A 4 -5.419 8.192 10.732 1.00 0.00 O ATOM 73 OE2 GLU A 4 -3.671 9.139 11.563 1.00 0.00 O ATOM 0 H GLU A 4 -6.179 3.883 11.310 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.512 6.044 10.325 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.336 6.283 12.036 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.387 5.333 13.162 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.004 7.724 13.615 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.522 7.020 12.999 1.00 0.00 H new ATOM 80 N LYS A 5 -3.168 3.684 12.137 1.00 0.00 N ATOM 81 CA LYS A 5 -1.863 3.142 12.589 1.00 0.00 C ATOM 82 C LYS A 5 -1.007 2.792 11.371 1.00 0.00 C ATOM 83 O LYS A 5 0.168 3.094 11.320 1.00 0.00 O ATOM 84 CB LYS A 5 -2.125 1.884 13.433 1.00 0.00 C ATOM 85 CG LYS A 5 -2.470 2.286 14.891 1.00 0.00 C ATOM 86 CD LYS A 5 -3.582 1.380 15.458 1.00 0.00 C ATOM 87 CE LYS A 5 -4.958 1.927 15.057 1.00 0.00 C ATOM 88 NZ LYS A 5 -6.015 0.956 15.460 1.00 0.00 N ATOM 0 H LYS A 5 -3.969 3.075 12.301 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.331 3.881 13.188 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.945 1.311 13.001 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.246 1.240 13.423 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.579 2.211 15.515 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.792 3.327 14.920 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.462 0.364 15.082 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.504 1.330 16.544 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.132 2.890 15.536 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.995 2.095 13.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.900 1.180 14.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.713 -0.008 15.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.170 1.017 16.487 1.00 0.00 H new ATOM 102 N ALA A 6 -1.579 2.141 10.398 1.00 0.00 N ATOM 103 CA ALA A 6 -0.789 1.754 9.198 1.00 0.00 C ATOM 104 C ALA A 6 -0.116 2.976 8.576 1.00 0.00 C ATOM 105 O ALA A 6 1.085 3.004 8.402 1.00 0.00 O ATOM 106 CB ALA A 6 -1.707 1.090 8.170 1.00 0.00 C ATOM 0 H ALA A 6 -2.559 1.860 10.382 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.014 1.051 9.504 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.126 0.808 7.292 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.159 0.200 8.607 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.491 1.789 7.877 1.00 0.00 H new ATOM 112 N MET A 7 -0.865 3.983 8.232 1.00 0.00 N ATOM 113 CA MET A 7 -0.233 5.186 7.613 1.00 0.00 C ATOM 114 C MET A 7 0.822 5.744 8.572 1.00 0.00 C ATOM 115 O MET A 7 1.860 6.215 8.159 1.00 0.00 O ATOM 116 CB MET A 7 -1.294 6.280 7.304 1.00 0.00 C ATOM 117 CG MET A 7 -2.646 5.891 7.890 1.00 0.00 C ATOM 118 SD MET A 7 -3.764 7.314 7.833 1.00 0.00 S ATOM 119 CE MET A 7 -4.495 6.966 6.215 1.00 0.00 C ATOM 0 H MET A 7 -1.877 4.029 8.349 1.00 0.00 H new ATOM 0 HA MET A 7 0.232 4.893 6.672 1.00 0.00 H new ATOM 0 HB2 MET A 7 -0.972 7.235 7.719 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.383 6.415 6.226 1.00 0.00 H new ATOM 0 HG2 MET A 7 -3.071 5.059 7.329 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.524 5.552 8.919 1.00 0.00 H new ATOM 0 HE1 MET A 7 -4.799 7.901 5.744 1.00 0.00 H new ATOM 0 HE2 MET A 7 -3.761 6.464 5.584 1.00 0.00 H new ATOM 0 HE3 MET A 7 -5.366 6.323 6.340 1.00 0.00 H new ATOM 129 N VAL A 8 0.560 5.708 9.845 1.00 0.00 N ATOM 130 CA VAL A 8 1.558 6.259 10.806 1.00 0.00 C ATOM 131 C VAL A 8 2.804 5.373 10.812 1.00 0.00 C ATOM 132 O VAL A 8 3.910 5.835 10.614 1.00 0.00 O ATOM 133 CB VAL A 8 0.935 6.319 12.207 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.021 6.567 13.261 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.081 7.462 12.256 1.00 0.00 C ATOM 0 H VAL A 8 -0.290 5.327 10.261 1.00 0.00 H new ATOM 0 HA VAL A 8 1.846 7.266 10.504 1.00 0.00 H new ATOM 0 HB VAL A 8 0.443 5.369 12.419 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.565 6.607 14.250 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.750 5.757 13.230 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.521 7.513 13.053 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.527 7.510 13.249 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.421 8.405 12.038 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.862 7.287 11.516 1.00 0.00 H new ATOM 145 N ALA A 9 2.632 4.107 11.040 1.00 0.00 N ATOM 146 CA ALA A 9 3.804 3.191 11.060 1.00 0.00 C ATOM 147 C ALA A 9 4.520 3.239 9.704 1.00 0.00 C ATOM 148 O ALA A 9 5.719 3.051 9.616 1.00 0.00 O ATOM 149 CB ALA A 9 3.324 1.766 11.336 1.00 0.00 C ATOM 0 H ALA A 9 1.730 3.663 11.214 1.00 0.00 H new ATOM 0 HA ALA A 9 4.497 3.502 11.842 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.179 1.091 11.352 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.818 1.733 12.301 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.632 1.457 10.553 1.00 0.00 H new ATOM 155 N LEU A 10 3.794 3.484 8.647 1.00 0.00 N ATOM 156 CA LEU A 10 4.427 3.533 7.296 1.00 0.00 C ATOM 157 C LEU A 10 5.119 4.889 7.085 1.00 0.00 C ATOM 158 O LEU A 10 6.256 4.946 6.673 1.00 0.00 O ATOM 159 CB LEU A 10 3.333 3.318 6.229 1.00 0.00 C ATOM 160 CG LEU A 10 3.168 1.802 5.918 1.00 0.00 C ATOM 161 CD1 LEU A 10 1.697 1.478 5.631 1.00 0.00 C ATOM 162 CD2 LEU A 10 4.014 1.432 4.692 1.00 0.00 C ATOM 0 H LEU A 10 2.788 3.653 8.660 1.00 0.00 H new ATOM 0 HA LEU A 10 5.180 2.750 7.212 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.387 3.728 6.582 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.594 3.856 5.318 1.00 0.00 H new ATOM 0 HG LEU A 10 3.500 1.228 6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.594 0.415 5.415 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.092 1.731 6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.358 2.057 4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.897 0.370 4.476 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.684 2.016 3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.063 1.647 4.895 1.00 0.00 H new ATOM 174 N ILE A 11 4.443 5.974 7.354 1.00 0.00 N ATOM 175 CA ILE A 11 5.057 7.324 7.154 1.00 0.00 C ATOM 176 C ILE A 11 6.475 7.322 7.735 1.00 0.00 C ATOM 177 O ILE A 11 7.378 7.927 7.194 1.00 0.00 O ATOM 178 CB ILE A 11 4.192 8.379 7.872 1.00 0.00 C ATOM 179 CG1 ILE A 11 2.892 8.631 7.063 1.00 0.00 C ATOM 180 CG2 ILE A 11 4.982 9.690 8.040 1.00 0.00 C ATOM 181 CD1 ILE A 11 3.094 9.743 6.022 1.00 0.00 C ATOM 0 H ILE A 11 3.486 5.986 7.706 1.00 0.00 H new ATOM 0 HA ILE A 11 5.107 7.562 6.091 1.00 0.00 H new ATOM 0 HB ILE A 11 3.926 8.008 8.862 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.587 7.712 6.563 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.085 8.907 7.742 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.360 10.427 8.548 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.878 9.502 8.631 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.268 10.071 7.059 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.167 9.898 5.470 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.374 10.667 6.527 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.884 9.454 5.329 1.00 0.00 H new ATOM 193 N ASP A 12 6.677 6.641 8.827 1.00 0.00 N ATOM 194 CA ASP A 12 8.036 6.600 9.428 1.00 0.00 C ATOM 195 C ASP A 12 8.958 5.788 8.520 1.00 0.00 C ATOM 196 O ASP A 12 10.028 6.225 8.155 1.00 0.00 O ATOM 197 CB ASP A 12 7.972 5.950 10.811 1.00 0.00 C ATOM 198 CG ASP A 12 7.204 6.862 11.771 1.00 0.00 C ATOM 199 OD1 ASP A 12 7.790 7.823 12.242 1.00 0.00 O ATOM 200 OD2 ASP A 12 6.043 6.582 12.022 1.00 0.00 O ATOM 0 H ASP A 12 5.962 6.113 9.327 1.00 0.00 H new ATOM 0 HA ASP A 12 8.421 7.615 9.531 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.482 4.979 10.745 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.979 5.774 11.188 1.00 0.00 H new ATOM 205 N VAL A 13 8.549 4.610 8.146 1.00 0.00 N ATOM 206 CA VAL A 13 9.404 3.780 7.256 1.00 0.00 C ATOM 207 C VAL A 13 9.388 4.360 5.842 1.00 0.00 C ATOM 208 O VAL A 13 10.316 4.181 5.081 1.00 0.00 O ATOM 209 CB VAL A 13 8.895 2.333 7.251 1.00 0.00 C ATOM 210 CG1 VAL A 13 9.860 1.447 6.457 1.00 0.00 C ATOM 211 CG2 VAL A 13 8.809 1.831 8.698 1.00 0.00 C ATOM 0 H VAL A 13 7.662 4.187 8.417 1.00 0.00 H new ATOM 0 HA VAL A 13 10.430 3.786 7.625 1.00 0.00 H new ATOM 0 HB VAL A 13 7.910 2.292 6.785 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.494 0.420 6.456 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.926 1.809 5.431 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.847 1.480 6.918 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.448 0.803 8.705 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.797 1.872 9.157 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.121 2.461 9.261 1.00 0.00 H new ATOM 221 N PHE A 14 8.343 5.052 5.478 1.00 0.00 N ATOM 222 CA PHE A 14 8.298 5.630 4.102 1.00 0.00 C ATOM 223 C PHE A 14 9.311 6.784 3.993 1.00 0.00 C ATOM 224 O PHE A 14 10.021 6.903 3.016 1.00 0.00 O ATOM 225 CB PHE A 14 6.866 6.137 3.793 1.00 0.00 C ATOM 226 CG PHE A 14 6.157 5.186 2.850 1.00 0.00 C ATOM 227 CD1 PHE A 14 6.231 3.804 3.066 1.00 0.00 C ATOM 228 CD2 PHE A 14 5.433 5.687 1.760 1.00 0.00 C ATOM 229 CE1 PHE A 14 5.582 2.925 2.194 1.00 0.00 C ATOM 230 CE2 PHE A 14 4.786 4.806 0.887 1.00 0.00 C ATOM 231 CZ PHE A 14 4.860 3.426 1.105 1.00 0.00 C ATOM 0 H PHE A 14 7.529 5.241 6.063 1.00 0.00 H new ATOM 0 HA PHE A 14 8.561 4.861 3.376 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.299 6.230 4.719 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.914 7.131 3.348 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.789 3.418 3.906 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.375 6.753 1.594 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.638 1.859 2.361 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.230 5.191 0.045 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.359 2.746 0.432 1.00 0.00 H new ATOM 241 N HIS A 15 9.368 7.641 4.975 1.00 0.00 N ATOM 242 CA HIS A 15 10.317 8.794 4.905 1.00 0.00 C ATOM 243 C HIS A 15 11.748 8.341 5.245 1.00 0.00 C ATOM 244 O HIS A 15 12.700 8.774 4.631 1.00 0.00 O ATOM 245 CB HIS A 15 9.847 9.893 5.890 1.00 0.00 C ATOM 246 CG HIS A 15 9.967 11.265 5.266 1.00 0.00 C ATOM 247 ND1 HIS A 15 9.697 11.723 3.999 1.00 0.00 N flip ATOM 248 CD2 HIS A 15 10.405 12.369 5.980 1.00 0.00 C flip ATOM 249 CE1 HIS A 15 9.959 13.087 3.927 1.00 0.00 C flip ATOM 250 NE2 HIS A 15 10.384 13.426 5.148 1.00 0.00 N flip ATOM 0 H HIS A 15 8.801 7.595 5.822 1.00 0.00 H new ATOM 0 HA HIS A 15 10.326 9.194 3.891 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.812 9.710 6.178 1.00 0.00 H new ATOM 0 HB3 HIS A 15 10.444 9.850 6.801 1.00 0.00 H new ATOM 0 HD1 HIS A 15 9.356 11.149 3.228 1.00 0.00 H new ATOM 0 HD2 HIS A 15 10.708 12.379 7.017 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.844 13.733 3.069 1.00 0.00 H new ATOM 258 N GLN A 16 11.913 7.490 6.219 1.00 0.00 N ATOM 259 CA GLN A 16 13.291 7.049 6.583 1.00 0.00 C ATOM 260 C GLN A 16 13.969 6.390 5.377 1.00 0.00 C ATOM 261 O GLN A 16 15.131 6.623 5.104 1.00 0.00 O ATOM 262 CB GLN A 16 13.217 6.053 7.744 1.00 0.00 C ATOM 263 CG GLN A 16 12.718 6.772 9.006 1.00 0.00 C ATOM 264 CD GLN A 16 13.860 7.573 9.633 1.00 0.00 C ATOM 265 OE1 GLN A 16 14.270 8.588 9.104 1.00 0.00 O ATOM 266 NE2 GLN A 16 14.392 7.160 10.749 1.00 0.00 N ATOM 0 H GLN A 16 11.161 7.083 6.775 1.00 0.00 H new ATOM 0 HA GLN A 16 13.877 7.917 6.885 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.546 5.233 7.491 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.199 5.617 7.926 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.891 7.436 8.754 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.336 6.045 9.722 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.048 6.309 11.193 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.152 7.688 11.178 1.00 0.00 H new ATOM 275 N TYR A 17 13.257 5.577 4.644 1.00 0.00 N ATOM 276 CA TYR A 17 13.873 4.913 3.454 1.00 0.00 C ATOM 277 C TYR A 17 13.759 5.832 2.237 1.00 0.00 C ATOM 278 O TYR A 17 14.746 6.174 1.618 1.00 0.00 O ATOM 279 CB TYR A 17 13.153 3.586 3.180 1.00 0.00 C ATOM 280 CG TYR A 17 13.652 2.525 4.141 1.00 0.00 C ATOM 281 CD1 TYR A 17 13.089 2.414 5.418 1.00 0.00 C ATOM 282 CD2 TYR A 17 14.681 1.656 3.752 1.00 0.00 C ATOM 283 CE1 TYR A 17 13.555 1.436 6.307 1.00 0.00 C ATOM 284 CE2 TYR A 17 15.145 0.679 4.641 1.00 0.00 C ATOM 285 CZ TYR A 17 14.583 0.569 5.918 1.00 0.00 C ATOM 286 OH TYR A 17 15.043 -0.394 6.794 1.00 0.00 O ATOM 0 H TYR A 17 12.279 5.343 4.815 1.00 0.00 H new ATOM 0 HA TYR A 17 14.927 4.714 3.651 1.00 0.00 H new ATOM 0 HB2 TYR A 17 12.077 3.715 3.293 1.00 0.00 H new ATOM 0 HB3 TYR A 17 13.330 3.271 2.152 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.295 3.082 5.718 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.116 1.740 2.767 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.121 1.351 7.292 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.938 0.009 4.341 1.00 0.00 H new ATOM 0 HH TYR A 17 14.315 -0.670 7.389 1.00 0.00 H new ATOM 296 N SER A 18 12.572 6.243 1.887 1.00 0.00 N ATOM 297 CA SER A 18 12.433 7.144 0.711 1.00 0.00 C ATOM 298 C SER A 18 13.255 8.411 0.961 1.00 0.00 C ATOM 299 O SER A 18 13.710 9.063 0.042 1.00 0.00 O ATOM 300 CB SER A 18 10.960 7.508 0.506 1.00 0.00 C ATOM 301 OG SER A 18 10.158 6.355 0.730 1.00 0.00 O ATOM 0 H SER A 18 11.702 5.997 2.359 1.00 0.00 H new ATOM 0 HA SER A 18 12.796 6.641 -0.185 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.671 8.305 1.191 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.803 7.884 -0.505 1.00 0.00 H new ATOM 0 HG SER A 18 9.546 6.522 1.477 1.00 0.00 H new ATOM 307 N GLY A 19 13.450 8.759 2.208 1.00 0.00 N ATOM 308 CA GLY A 19 14.245 9.979 2.542 1.00 0.00 C ATOM 309 C GLY A 19 15.706 9.588 2.790 1.00 0.00 C ATOM 310 O GLY A 19 16.541 10.428 3.064 1.00 0.00 O ATOM 0 H GLY A 19 13.090 8.247 3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.184 10.700 1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.832 10.463 3.427 1.00 0.00 H new ATOM 314 N ARG A 20 16.030 8.325 2.680 1.00 0.00 N ATOM 315 CA ARG A 20 17.443 7.895 2.891 1.00 0.00 C ATOM 316 C ARG A 20 18.317 8.552 1.828 1.00 0.00 C ATOM 317 O ARG A 20 19.362 9.102 2.111 1.00 0.00 O ATOM 318 CB ARG A 20 17.530 6.370 2.748 1.00 0.00 C ATOM 319 CG ARG A 20 18.979 5.890 2.924 1.00 0.00 C ATOM 320 CD ARG A 20 19.053 4.378 2.690 1.00 0.00 C ATOM 321 NE ARG A 20 20.281 3.834 3.340 1.00 0.00 N ATOM 322 CZ ARG A 20 20.294 3.602 4.626 1.00 0.00 C ATOM 323 NH1 ARG A 20 19.230 3.837 5.344 1.00 0.00 N ATOM 324 NH2 ARG A 20 21.372 3.133 5.194 1.00 0.00 N ATOM 0 H ARG A 20 15.377 7.575 2.453 1.00 0.00 H new ATOM 0 HA ARG A 20 17.781 8.188 3.885 1.00 0.00 H new ATOM 0 HB2 ARG A 20 16.891 5.893 3.491 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.159 6.070 1.768 1.00 0.00 H new ATOM 0 HG2 ARG A 20 19.632 6.409 2.222 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.333 6.131 3.926 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.167 3.892 3.098 1.00 0.00 H new ATOM 0 HD3 ARG A 20 19.069 4.165 1.621 1.00 0.00 H new ATOM 0 HE ARG A 20 21.112 3.643 2.780 1.00 0.00 H new ATOM 0 HH11 ARG A 20 18.387 4.202 4.902 1.00 0.00 H new ATOM 0 HH12 ARG A 20 19.242 3.655 6.348 1.00 0.00 H new ATOM 0 HH21 ARG A 20 22.204 2.948 4.634 1.00 0.00 H new ATOM 0 HH22 ARG A 20 21.382 2.952 6.198 1.00 0.00 H new ATOM 338 N GLU A 21 17.880 8.507 0.604 1.00 0.00 N ATOM 339 CA GLU A 21 18.667 9.133 -0.493 1.00 0.00 C ATOM 340 C GLU A 21 17.740 9.358 -1.698 1.00 0.00 C ATOM 341 O GLU A 21 16.763 8.657 -1.876 1.00 0.00 O ATOM 342 CB GLU A 21 19.879 8.208 -0.825 1.00 0.00 C ATOM 343 CG GLU A 21 19.880 7.724 -2.287 1.00 0.00 C ATOM 344 CD GLU A 21 20.166 8.902 -3.221 1.00 0.00 C ATOM 345 OE1 GLU A 21 21.000 9.721 -2.872 1.00 0.00 O ATOM 346 OE2 GLU A 21 19.547 8.965 -4.270 1.00 0.00 O ATOM 0 H GLU A 21 17.009 8.063 0.314 1.00 0.00 H new ATOM 0 HA GLU A 21 19.065 10.105 -0.202 1.00 0.00 H new ATOM 0 HB2 GLU A 21 20.806 8.746 -0.625 1.00 0.00 H new ATOM 0 HB3 GLU A 21 19.862 7.344 -0.161 1.00 0.00 H new ATOM 0 HG2 GLU A 21 20.634 6.949 -2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.916 7.278 -2.533 1.00 0.00 H new ATOM 353 N GLY A 22 18.044 10.329 -2.524 1.00 0.00 N ATOM 354 CA GLY A 22 17.196 10.613 -3.727 1.00 0.00 C ATOM 355 C GLY A 22 16.618 12.022 -3.619 1.00 0.00 C ATOM 356 O GLY A 22 16.990 12.792 -2.757 1.00 0.00 O ATOM 0 H GLY A 22 18.851 10.944 -2.416 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.792 10.521 -4.635 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.391 9.882 -3.799 1.00 0.00 H new ATOM 360 N ASP A 23 15.707 12.367 -4.488 1.00 0.00 N ATOM 361 CA ASP A 23 15.104 13.728 -4.434 1.00 0.00 C ATOM 362 C ASP A 23 14.699 14.047 -2.993 1.00 0.00 C ATOM 363 O ASP A 23 15.298 14.878 -2.339 1.00 0.00 O ATOM 364 CB ASP A 23 13.867 13.770 -5.332 1.00 0.00 C ATOM 365 CG ASP A 23 13.296 15.190 -5.358 1.00 0.00 C ATOM 366 OD1 ASP A 23 14.053 16.108 -5.625 1.00 0.00 O ATOM 367 OD2 ASP A 23 12.109 15.333 -5.113 1.00 0.00 O ATOM 0 H ASP A 23 15.355 11.765 -5.232 1.00 0.00 H new ATOM 0 HA ASP A 23 15.830 14.464 -4.779 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.128 13.454 -6.342 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.115 13.072 -4.964 1.00 0.00 H new ATOM 372 N LYS A 24 13.690 13.389 -2.492 1.00 0.00 N ATOM 373 CA LYS A 24 13.249 13.648 -1.093 1.00 0.00 C ATOM 374 C LYS A 24 12.235 12.570 -0.680 1.00 0.00 C ATOM 375 O LYS A 24 11.857 12.463 0.467 1.00 0.00 O ATOM 376 CB LYS A 24 12.606 15.052 -1.015 1.00 0.00 C ATOM 377 CG LYS A 24 12.916 15.727 0.334 1.00 0.00 C ATOM 378 CD LYS A 24 12.266 14.941 1.481 1.00 0.00 C ATOM 379 CE LYS A 24 12.144 15.831 2.720 1.00 0.00 C ATOM 380 NZ LYS A 24 13.383 16.644 2.866 1.00 0.00 N ATOM 0 H LYS A 24 13.151 12.682 -2.992 1.00 0.00 H new ATOM 0 HA LYS A 24 14.102 13.612 -0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 24 12.979 15.672 -1.830 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.527 14.969 -1.145 1.00 0.00 H new ATOM 0 HG2 LYS A 24 13.994 15.779 0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.545 16.752 0.330 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.280 14.587 1.178 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.863 14.059 1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.276 16.484 2.629 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.991 15.218 3.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.489 16.940 3.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.207 16.075 2.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.320 17.485 2.258 1.00 0.00 H new ATOM 394 N HIS A 25 11.786 11.765 -1.602 1.00 0.00 N ATOM 395 CA HIS A 25 10.800 10.718 -1.223 1.00 0.00 C ATOM 396 C HIS A 25 10.625 9.706 -2.356 1.00 0.00 C ATOM 397 O HIS A 25 9.545 9.540 -2.888 1.00 0.00 O ATOM 398 CB HIS A 25 9.456 11.390 -0.905 1.00 0.00 C ATOM 399 CG HIS A 25 8.628 10.498 -0.020 1.00 0.00 C ATOM 400 ND1 HIS A 25 8.068 10.946 1.169 1.00 0.00 N ATOM 401 CD2 HIS A 25 8.267 9.177 -0.130 1.00 0.00 C ATOM 402 CE1 HIS A 25 7.407 9.911 1.722 1.00 0.00 C ATOM 403 NE2 HIS A 25 7.499 8.814 0.969 1.00 0.00 N ATOM 0 H HIS A 25 12.054 11.786 -2.586 1.00 0.00 H new ATOM 0 HA HIS A 25 11.163 10.184 -0.345 1.00 0.00 H new ATOM 0 HB2 HIS A 25 9.627 12.347 -0.412 1.00 0.00 H new ATOM 0 HB3 HIS A 25 8.918 11.599 -1.829 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.538 8.522 -0.945 1.00 0.00 H new ATOM 0 HE1 HIS A 25 6.870 9.963 2.658 1.00 0.00 H new ATOM 0 HE2 HIS A 25 7.091 7.899 1.160 1.00 0.00 H new ATOM 411 N LYS A 26 11.675 9.015 -2.716 1.00 0.00 N ATOM 412 CA LYS A 26 11.585 7.991 -3.797 1.00 0.00 C ATOM 413 C LYS A 26 12.361 6.757 -3.343 1.00 0.00 C ATOM 414 O LYS A 26 13.333 6.864 -2.621 1.00 0.00 O ATOM 415 CB LYS A 26 12.201 8.553 -5.087 1.00 0.00 C ATOM 416 CG LYS A 26 11.706 7.749 -6.305 1.00 0.00 C ATOM 417 CD LYS A 26 10.354 8.300 -6.801 1.00 0.00 C ATOM 418 CE LYS A 26 10.573 9.496 -7.737 1.00 0.00 C ATOM 419 NZ LYS A 26 9.270 9.893 -8.342 1.00 0.00 N ATOM 0 H LYS A 26 12.601 9.118 -2.302 1.00 0.00 H new ATOM 0 HA LYS A 26 10.545 7.729 -3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.931 9.603 -5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.289 8.508 -5.029 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.443 7.801 -7.107 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.601 6.698 -6.036 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.805 7.517 -7.324 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.744 8.603 -5.950 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.000 10.332 -7.183 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.286 9.235 -8.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.430 10.253 -9.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.640 9.067 -8.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.830 10.636 -7.763 1.00 0.00 H new ATOM 433 N LEU A 27 11.930 5.586 -3.736 1.00 0.00 N ATOM 434 CA LEU A 27 12.639 4.338 -3.298 1.00 0.00 C ATOM 435 C LEU A 27 13.586 3.837 -4.398 1.00 0.00 C ATOM 436 O LEU A 27 13.201 3.626 -5.532 1.00 0.00 O ATOM 437 CB LEU A 27 11.588 3.240 -2.971 1.00 0.00 C ATOM 438 CG LEU A 27 11.555 2.922 -1.457 1.00 0.00 C ATOM 439 CD1 LEU A 27 10.769 4.002 -0.712 1.00 0.00 C ATOM 440 CD2 LEU A 27 10.886 1.564 -1.244 1.00 0.00 C ATOM 0 H LEU A 27 11.121 5.436 -4.339 1.00 0.00 H new ATOM 0 HA LEU A 27 13.231 4.562 -2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.602 3.570 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.821 2.333 -3.530 1.00 0.00 H new ATOM 0 HG LEU A 27 12.574 2.896 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.751 3.770 0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.247 4.970 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.748 4.037 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.860 1.334 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.869 1.595 -1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 27 11.452 0.793 -1.767 1.00 0.00 H new ATOM 452 N LYS A 28 14.815 3.600 -4.025 1.00 0.00 N ATOM 453 CA LYS A 28 15.826 3.051 -4.981 1.00 0.00 C ATOM 454 C LYS A 28 16.153 1.619 -4.551 1.00 0.00 C ATOM 455 O LYS A 28 15.903 1.236 -3.426 1.00 0.00 O ATOM 456 CB LYS A 28 17.103 3.908 -4.956 1.00 0.00 C ATOM 457 CG LYS A 28 16.753 5.357 -4.604 1.00 0.00 C ATOM 458 CD LYS A 28 17.859 6.298 -5.097 1.00 0.00 C ATOM 459 CE LYS A 28 19.243 5.782 -4.668 1.00 0.00 C ATOM 460 NZ LYS A 28 19.742 4.786 -5.659 1.00 0.00 N ATOM 0 H LYS A 28 15.169 3.766 -3.083 1.00 0.00 H new ATOM 0 HA LYS A 28 15.427 3.063 -5.995 1.00 0.00 H new ATOM 0 HB2 LYS A 28 17.806 3.507 -4.226 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.596 3.870 -5.927 1.00 0.00 H new ATOM 0 HG2 LYS A 28 15.801 5.631 -5.059 1.00 0.00 H new ATOM 0 HG3 LYS A 28 16.631 5.459 -3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 28 17.816 6.380 -6.183 1.00 0.00 H new ATOM 0 HD3 LYS A 28 17.698 7.298 -4.696 1.00 0.00 H new ATOM 0 HE2 LYS A 28 19.943 6.614 -4.591 1.00 0.00 H new ATOM 0 HE3 LYS A 28 19.181 5.325 -3.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 20.739 4.984 -5.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 19.658 3.829 -5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 19.177 4.850 -6.530 1.00 0.00 H new ATOM 474 N LYS A 29 16.707 0.824 -5.427 1.00 0.00 N ATOM 475 CA LYS A 29 17.044 -0.579 -5.042 1.00 0.00 C ATOM 476 C LYS A 29 17.755 -0.570 -3.683 1.00 0.00 C ATOM 477 O LYS A 29 17.483 -1.383 -2.822 1.00 0.00 O ATOM 478 CB LYS A 29 17.958 -1.197 -6.106 1.00 0.00 C ATOM 479 CG LYS A 29 17.159 -1.446 -7.392 1.00 0.00 C ATOM 480 CD LYS A 29 17.942 -2.389 -8.312 1.00 0.00 C ATOM 481 CE LYS A 29 19.298 -1.767 -8.676 1.00 0.00 C ATOM 482 NZ LYS A 29 20.288 -2.074 -7.603 1.00 0.00 N ATOM 0 H LYS A 29 16.940 1.082 -6.386 1.00 0.00 H new ATOM 0 HA LYS A 29 16.132 -1.172 -4.970 1.00 0.00 H new ATOM 0 HB2 LYS A 29 18.796 -0.531 -6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.377 -2.134 -5.740 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.189 -1.880 -7.151 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.967 -0.502 -7.901 1.00 0.00 H new ATOM 0 HD2 LYS A 29 18.094 -3.348 -7.817 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.368 -2.585 -9.218 1.00 0.00 H new ATOM 0 HE2 LYS A 29 19.646 -2.160 -9.631 1.00 0.00 H new ATOM 0 HE3 LYS A 29 19.196 -0.688 -8.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.517 -1.203 -7.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 19.884 -2.773 -6.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 21.154 -2.460 -8.030 1.00 0.00 H new ATOM 496 N SER A 30 18.655 0.356 -3.484 1.00 0.00 N ATOM 497 CA SER A 30 19.371 0.429 -2.179 1.00 0.00 C ATOM 498 C SER A 30 18.341 0.495 -1.046 1.00 0.00 C ATOM 499 O SER A 30 18.640 0.205 0.088 1.00 0.00 O ATOM 500 CB SER A 30 20.267 1.683 -2.157 1.00 0.00 C ATOM 501 OG SER A 30 19.711 2.665 -3.020 1.00 0.00 O ATOM 0 H SER A 30 18.924 1.063 -4.168 1.00 0.00 H new ATOM 0 HA SER A 30 19.996 -0.454 -2.045 1.00 0.00 H new ATOM 0 HB2 SER A 30 20.343 2.073 -1.142 1.00 0.00 H new ATOM 0 HB3 SER A 30 21.277 1.429 -2.477 1.00 0.00 H new ATOM 0 HG SER A 30 20.275 3.466 -3.010 1.00 0.00 H new ATOM 507 N GLU A 31 17.123 0.856 -1.356 1.00 0.00 N ATOM 508 CA GLU A 31 16.062 0.925 -0.304 1.00 0.00 C ATOM 509 C GLU A 31 15.219 -0.334 -0.380 1.00 0.00 C ATOM 510 O GLU A 31 14.774 -0.848 0.620 1.00 0.00 O ATOM 511 CB GLU A 31 15.173 2.144 -0.547 1.00 0.00 C ATOM 512 CG GLU A 31 16.014 3.418 -0.454 1.00 0.00 C ATOM 513 CD GLU A 31 15.109 4.638 -0.617 1.00 0.00 C ATOM 514 OE1 GLU A 31 13.975 4.574 -0.172 1.00 0.00 O ATOM 515 OE2 GLU A 31 15.563 5.618 -1.185 1.00 0.00 O ATOM 0 H GLU A 31 16.815 1.107 -2.295 1.00 0.00 H new ATOM 0 HA GLU A 31 16.524 1.009 0.680 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.705 2.076 -1.529 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.369 2.173 0.188 1.00 0.00 H new ATOM 0 HG2 GLU A 31 16.527 3.458 0.507 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.783 3.416 -1.227 1.00 0.00 H new ATOM 522 N LEU A 32 14.999 -0.836 -1.557 1.00 0.00 N ATOM 523 CA LEU A 32 14.179 -2.065 -1.693 1.00 0.00 C ATOM 524 C LEU A 32 14.932 -3.249 -1.092 1.00 0.00 C ATOM 525 O LEU A 32 14.434 -3.929 -0.219 1.00 0.00 O ATOM 526 CB LEU A 32 13.870 -2.299 -3.194 1.00 0.00 C ATOM 527 CG LEU A 32 12.388 -2.649 -3.398 1.00 0.00 C ATOM 528 CD1 LEU A 32 12.053 -2.621 -4.890 1.00 0.00 C ATOM 529 CD2 LEU A 32 12.116 -4.046 -2.839 1.00 0.00 C ATOM 0 H LEU A 32 15.352 -0.448 -2.432 1.00 0.00 H new ATOM 0 HA LEU A 32 13.237 -1.956 -1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.119 -1.404 -3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.495 -3.106 -3.577 1.00 0.00 H new ATOM 0 HG LEU A 32 11.768 -1.920 -2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.001 -2.870 -5.031 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.247 -1.625 -5.288 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.672 -3.348 -5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.065 -4.297 -2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.737 -4.774 -3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.351 -4.064 -1.775 1.00 0.00 H new ATOM 541 N LYS A 33 16.120 -3.505 -1.540 1.00 0.00 N ATOM 542 CA LYS A 33 16.879 -4.641 -0.985 1.00 0.00 C ATOM 543 C LYS A 33 17.261 -4.346 0.473 1.00 0.00 C ATOM 544 O LYS A 33 17.327 -5.238 1.295 1.00 0.00 O ATOM 545 CB LYS A 33 18.111 -4.815 -1.856 1.00 0.00 C ATOM 546 CG LYS A 33 19.011 -5.921 -1.306 1.00 0.00 C ATOM 547 CD LYS A 33 20.210 -6.112 -2.251 1.00 0.00 C ATOM 548 CE LYS A 33 21.347 -5.160 -1.858 1.00 0.00 C ATOM 549 NZ LYS A 33 22.448 -5.267 -2.856 1.00 0.00 N ATOM 0 H LYS A 33 16.598 -2.974 -2.268 1.00 0.00 H new ATOM 0 HA LYS A 33 16.289 -5.558 -0.984 1.00 0.00 H new ATOM 0 HB2 LYS A 33 17.810 -5.057 -2.875 1.00 0.00 H new ATOM 0 HB3 LYS A 33 18.665 -3.878 -1.902 1.00 0.00 H new ATOM 0 HG2 LYS A 33 19.358 -5.661 -0.306 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.451 -6.852 -1.217 1.00 0.00 H new ATOM 0 HD2 LYS A 33 20.558 -7.144 -2.206 1.00 0.00 H new ATOM 0 HD3 LYS A 33 19.906 -5.922 -3.280 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.979 -4.135 -1.814 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.717 -5.409 -0.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.220 -4.622 -2.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 22.804 -6.244 -2.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 22.089 -5.010 -3.798 1.00 0.00 H new ATOM 563 N GLU A 34 17.521 -3.105 0.802 1.00 0.00 N ATOM 564 CA GLU A 34 17.905 -2.789 2.215 1.00 0.00 C ATOM 565 C GLU A 34 16.662 -2.784 3.104 1.00 0.00 C ATOM 566 O GLU A 34 16.712 -3.150 4.261 1.00 0.00 O ATOM 567 CB GLU A 34 18.588 -1.426 2.292 1.00 0.00 C ATOM 568 CG GLU A 34 19.167 -1.228 3.693 1.00 0.00 C ATOM 569 CD GLU A 34 19.799 0.161 3.790 1.00 0.00 C ATOM 570 OE1 GLU A 34 19.120 1.121 3.464 1.00 0.00 O ATOM 571 OE2 GLU A 34 20.949 0.242 4.186 1.00 0.00 O ATOM 0 H GLU A 34 17.485 -2.308 0.166 1.00 0.00 H new ATOM 0 HA GLU A 34 18.600 -3.554 2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.380 -1.361 1.546 1.00 0.00 H new ATOM 0 HB3 GLU A 34 17.873 -0.635 2.067 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.382 -1.335 4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 34 19.913 -1.995 3.902 1.00 0.00 H new ATOM 578 N LEU A 35 15.543 -2.388 2.572 1.00 0.00 N ATOM 579 CA LEU A 35 14.298 -2.384 3.388 1.00 0.00 C ATOM 580 C LEU A 35 13.900 -3.837 3.635 1.00 0.00 C ATOM 581 O LEU A 35 13.400 -4.200 4.681 1.00 0.00 O ATOM 582 CB LEU A 35 13.192 -1.662 2.608 1.00 0.00 C ATOM 583 CG LEU A 35 11.831 -1.843 3.301 1.00 0.00 C ATOM 584 CD1 LEU A 35 11.916 -1.446 4.779 1.00 0.00 C ATOM 585 CD2 LEU A 35 10.795 -0.958 2.605 1.00 0.00 C ATOM 0 H LEU A 35 15.435 -2.067 1.610 1.00 0.00 H new ATOM 0 HA LEU A 35 14.452 -1.871 4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.428 -0.601 2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.143 -2.052 1.591 1.00 0.00 H new ATOM 0 HG LEU A 35 11.542 -2.892 3.236 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.942 -1.582 5.249 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.652 -2.073 5.282 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.214 -0.401 4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.827 -1.081 3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.105 0.085 2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.715 -1.247 1.557 1.00 0.00 H new ATOM 597 N ILE A 36 14.127 -4.669 2.664 1.00 0.00 N ATOM 598 CA ILE A 36 13.775 -6.103 2.803 1.00 0.00 C ATOM 599 C ILE A 36 14.693 -6.780 3.829 1.00 0.00 C ATOM 600 O ILE A 36 14.258 -7.599 4.614 1.00 0.00 O ATOM 601 CB ILE A 36 13.898 -6.763 1.429 1.00 0.00 C ATOM 602 CG1 ILE A 36 12.756 -6.257 0.535 1.00 0.00 C ATOM 603 CG2 ILE A 36 13.793 -8.281 1.571 1.00 0.00 C ATOM 604 CD1 ILE A 36 13.052 -6.597 -0.924 1.00 0.00 C ATOM 0 H ILE A 36 14.546 -4.414 1.770 1.00 0.00 H new ATOM 0 HA ILE A 36 12.752 -6.208 3.164 1.00 0.00 H new ATOM 0 HB ILE A 36 14.862 -6.512 0.987 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.814 -6.712 0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.641 -5.179 0.651 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.881 -8.745 0.589 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.594 -8.642 2.216 1.00 0.00 H new ATOM 0 HG23 ILE A 36 12.829 -8.540 2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.239 -6.236 -1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.985 -6.121 -1.227 1.00 0.00 H new ATOM 0 HD13 ILE A 36 13.144 -7.677 -1.034 1.00 0.00 H new ATOM 616 N ASN A 37 15.956 -6.457 3.826 1.00 0.00 N ATOM 617 CA ASN A 37 16.896 -7.099 4.797 1.00 0.00 C ATOM 618 C ASN A 37 16.845 -6.412 6.173 1.00 0.00 C ATOM 619 O ASN A 37 17.217 -6.998 7.172 1.00 0.00 O ATOM 620 CB ASN A 37 18.323 -7.013 4.254 1.00 0.00 C ATOM 621 CG ASN A 37 18.478 -7.972 3.072 1.00 0.00 C ATOM 622 OD1 ASN A 37 18.349 -9.171 3.226 1.00 0.00 O ATOM 623 ND2 ASN A 37 18.751 -7.491 1.892 1.00 0.00 N ATOM 0 H ASN A 37 16.381 -5.777 3.195 1.00 0.00 H new ATOM 0 HA ASN A 37 16.593 -8.139 4.920 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.543 -5.993 3.939 1.00 0.00 H new ATOM 0 HB3 ASN A 37 19.037 -7.266 5.037 1.00 0.00 H new ATOM 0 HD21 ASN A 37 18.857 -8.121 1.097 1.00 0.00 H new ATOM 0 HD22 ASN A 37 18.859 -6.485 1.764 1.00 0.00 H new ATOM 630 N ASN A 38 16.451 -5.163 6.238 1.00 0.00 N ATOM 631 CA ASN A 38 16.457 -4.453 7.565 1.00 0.00 C ATOM 632 C ASN A 38 15.118 -4.581 8.309 1.00 0.00 C ATOM 633 O ASN A 38 15.105 -4.831 9.499 1.00 0.00 O ATOM 634 CB ASN A 38 16.764 -2.967 7.341 1.00 0.00 C ATOM 635 CG ASN A 38 18.243 -2.796 6.977 1.00 0.00 C ATOM 636 OD1 ASN A 38 18.675 -3.227 5.928 1.00 0.00 O ATOM 637 ND2 ASN A 38 19.040 -2.179 7.809 1.00 0.00 N ATOM 0 H ASN A 38 16.129 -4.608 5.445 1.00 0.00 H new ATOM 0 HA ASN A 38 17.223 -4.923 8.182 1.00 0.00 H new ATOM 0 HB2 ASN A 38 16.135 -2.572 6.544 1.00 0.00 H new ATOM 0 HB3 ASN A 38 16.533 -2.398 8.241 1.00 0.00 H new ATOM 0 HD21 ASN A 38 20.026 -2.059 7.577 1.00 0.00 H new ATOM 0 HD22 ASN A 38 18.676 -1.817 8.690 1.00 0.00 H new ATOM 644 N GLU A 39 13.999 -4.393 7.648 1.00 0.00 N ATOM 645 CA GLU A 39 12.675 -4.483 8.362 1.00 0.00 C ATOM 646 C GLU A 39 11.913 -5.729 7.909 1.00 0.00 C ATOM 647 O GLU A 39 11.605 -6.597 8.701 1.00 0.00 O ATOM 648 CB GLU A 39 11.852 -3.218 8.052 1.00 0.00 C ATOM 649 CG GLU A 39 10.876 -2.931 9.201 1.00 0.00 C ATOM 650 CD GLU A 39 10.214 -1.573 8.985 1.00 0.00 C ATOM 651 OE1 GLU A 39 10.628 -0.870 8.078 1.00 0.00 O ATOM 652 OE2 GLU A 39 9.306 -1.259 9.735 1.00 0.00 O ATOM 0 H GLU A 39 13.941 -4.182 6.652 1.00 0.00 H new ATOM 0 HA GLU A 39 12.845 -4.556 9.436 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.518 -2.367 7.909 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.301 -3.352 7.121 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.118 -3.712 9.251 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.407 -2.941 10.153 1.00 0.00 H new ATOM 659 N LEU A 40 11.611 -5.837 6.647 1.00 0.00 N ATOM 660 CA LEU A 40 10.876 -7.043 6.167 1.00 0.00 C ATOM 661 C LEU A 40 11.837 -8.245 6.203 1.00 0.00 C ATOM 662 O LEU A 40 11.714 -9.179 5.436 1.00 0.00 O ATOM 663 CB LEU A 40 10.369 -6.775 4.726 1.00 0.00 C ATOM 664 CG LEU A 40 8.852 -6.496 4.688 1.00 0.00 C ATOM 665 CD1 LEU A 40 8.048 -7.657 5.316 1.00 0.00 C ATOM 666 CD2 LEU A 40 8.550 -5.181 5.420 1.00 0.00 C ATOM 0 H LEU A 40 11.838 -5.149 5.929 1.00 0.00 H new ATOM 0 HA LEU A 40 10.017 -7.261 6.802 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.905 -5.924 4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.595 -7.636 4.097 1.00 0.00 H new ATOM 0 HG LEU A 40 8.546 -6.409 3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.983 -7.427 5.273 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.244 -8.576 4.763 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.349 -7.788 6.355 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.478 -4.987 5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.877 -5.258 6.457 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.080 -4.363 4.932 1.00 0.00 H new ATOM 678 N SER A 41 12.795 -8.222 7.097 1.00 0.00 N ATOM 679 CA SER A 41 13.769 -9.346 7.203 1.00 0.00 C ATOM 680 C SER A 41 13.220 -10.436 8.139 1.00 0.00 C ATOM 681 O SER A 41 13.692 -11.555 8.137 1.00 0.00 O ATOM 682 CB SER A 41 15.098 -8.797 7.751 1.00 0.00 C ATOM 683 OG SER A 41 16.166 -9.251 6.931 1.00 0.00 O ATOM 0 H SER A 41 12.943 -7.464 7.763 1.00 0.00 H new ATOM 0 HA SER A 41 13.930 -9.788 6.220 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.075 -7.707 7.769 1.00 0.00 H new ATOM 0 HB3 SER A 41 15.246 -9.129 8.778 1.00 0.00 H new ATOM 0 HG SER A 41 16.959 -8.698 7.091 1.00 0.00 H new ATOM 689 N HIS A 42 12.236 -10.124 8.945 1.00 0.00 N ATOM 690 CA HIS A 42 11.680 -11.150 9.876 1.00 0.00 C ATOM 691 C HIS A 42 10.546 -11.913 9.182 1.00 0.00 C ATOM 692 O HIS A 42 10.278 -13.056 9.496 1.00 0.00 O ATOM 693 CB HIS A 42 11.147 -10.455 11.136 1.00 0.00 C ATOM 694 CG HIS A 42 10.463 -9.171 10.751 1.00 0.00 C ATOM 695 ND1 HIS A 42 9.512 -9.114 9.742 1.00 0.00 N ATOM 696 CD2 HIS A 42 10.581 -7.888 11.226 1.00 0.00 C ATOM 697 CE1 HIS A 42 9.099 -7.837 9.643 1.00 0.00 C ATOM 698 NE2 HIS A 42 9.720 -7.052 10.524 1.00 0.00 N ATOM 0 H HIS A 42 11.796 -9.206 8.998 1.00 0.00 H new ATOM 0 HA HIS A 42 12.463 -11.854 10.156 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.448 -11.109 11.657 1.00 0.00 H new ATOM 0 HB3 HIS A 42 11.966 -10.250 11.825 1.00 0.00 H new ATOM 0 HD2 HIS A 42 11.241 -7.576 12.022 1.00 0.00 H new ATOM 0 HE1 HIS A 42 8.357 -7.491 8.938 1.00 0.00 H new ATOM 0 HE2 HIS A 42 9.591 -6.049 10.655 1.00 0.00 H new ATOM 707 N PHE A 43 9.884 -11.290 8.238 1.00 0.00 N ATOM 708 CA PHE A 43 8.764 -11.969 7.507 1.00 0.00 C ATOM 709 C PHE A 43 9.240 -12.321 6.092 1.00 0.00 C ATOM 710 O PHE A 43 9.054 -13.429 5.627 1.00 0.00 O ATOM 711 CB PHE A 43 7.543 -11.017 7.444 1.00 0.00 C ATOM 712 CG PHE A 43 6.514 -11.414 8.485 1.00 0.00 C ATOM 713 CD1 PHE A 43 6.644 -10.973 9.807 1.00 0.00 C ATOM 714 CD2 PHE A 43 5.435 -12.228 8.121 1.00 0.00 C ATOM 715 CE1 PHE A 43 5.694 -11.346 10.765 1.00 0.00 C ATOM 716 CE2 PHE A 43 4.485 -12.600 9.080 1.00 0.00 C ATOM 717 CZ PHE A 43 4.614 -12.160 10.402 1.00 0.00 C ATOM 0 H PHE A 43 10.072 -10.333 7.939 1.00 0.00 H new ATOM 0 HA PHE A 43 8.471 -12.882 8.026 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.865 -9.990 7.614 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.097 -11.051 6.450 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.477 -10.345 10.088 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.335 -12.569 7.101 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.794 -11.006 11.785 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.652 -13.227 8.799 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.881 -12.448 11.142 1.00 0.00 H new ATOM 727 N LEU A 44 9.854 -11.396 5.401 1.00 0.00 N ATOM 728 CA LEU A 44 10.336 -11.699 4.020 1.00 0.00 C ATOM 729 C LEU A 44 11.740 -12.313 4.110 1.00 0.00 C ATOM 730 O LEU A 44 12.583 -11.849 4.850 1.00 0.00 O ATOM 731 CB LEU A 44 10.357 -10.397 3.184 1.00 0.00 C ATOM 732 CG LEU A 44 10.019 -10.680 1.706 1.00 0.00 C ATOM 733 CD1 LEU A 44 8.587 -11.259 1.569 1.00 0.00 C ATOM 734 CD2 LEU A 44 10.132 -9.369 0.913 1.00 0.00 C ATOM 0 H LEU A 44 10.042 -10.449 5.730 1.00 0.00 H new ATOM 0 HA LEU A 44 9.669 -12.409 3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.640 -9.686 3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.341 -9.933 3.253 1.00 0.00 H new ATOM 0 HG LEU A 44 10.720 -11.417 1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.371 -11.451 0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.516 -12.191 2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.866 -10.543 1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.895 -9.556 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.433 -8.637 1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.148 -8.982 0.992 1.00 0.00 H new ATOM 746 N GLU A 45 11.985 -13.363 3.374 1.00 0.00 N ATOM 747 CA GLU A 45 13.323 -14.020 3.426 1.00 0.00 C ATOM 748 C GLU A 45 14.429 -12.978 3.247 1.00 0.00 C ATOM 749 O GLU A 45 14.351 -12.118 2.395 1.00 0.00 O ATOM 750 CB GLU A 45 13.416 -15.061 2.310 1.00 0.00 C ATOM 751 CG GLU A 45 12.553 -16.272 2.673 1.00 0.00 C ATOM 752 CD GLU A 45 12.658 -17.323 1.568 1.00 0.00 C ATOM 753 OE1 GLU A 45 13.555 -17.207 0.749 1.00 0.00 O ATOM 754 OE2 GLU A 45 11.839 -18.227 1.558 1.00 0.00 O ATOM 0 H GLU A 45 11.315 -13.795 2.738 1.00 0.00 H new ATOM 0 HA GLU A 45 13.448 -14.504 4.395 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.080 -14.630 1.367 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.452 -15.368 2.169 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.881 -16.694 3.623 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.515 -15.966 2.801 1.00 0.00 H new ATOM 761 N GLU A 46 15.455 -13.053 4.052 1.00 0.00 N ATOM 762 CA GLU A 46 16.573 -12.071 3.944 1.00 0.00 C ATOM 763 C GLU A 46 17.117 -12.057 2.513 1.00 0.00 C ATOM 764 O GLU A 46 18.106 -12.694 2.209 1.00 0.00 O ATOM 765 CB GLU A 46 17.698 -12.473 4.904 1.00 0.00 C ATOM 766 CG GLU A 46 17.161 -12.553 6.339 1.00 0.00 C ATOM 767 CD GLU A 46 16.443 -13.889 6.554 1.00 0.00 C ATOM 768 OE1 GLU A 46 17.043 -14.914 6.274 1.00 0.00 O ATOM 769 OE2 GLU A 46 15.305 -13.863 6.993 1.00 0.00 O ATOM 0 H GLU A 46 15.567 -13.755 4.783 1.00 0.00 H new ATOM 0 HA GLU A 46 16.203 -11.079 4.201 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.113 -13.437 4.608 1.00 0.00 H new ATOM 0 HB3 GLU A 46 18.509 -11.747 4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.981 -12.453 7.050 1.00 0.00 H new ATOM 0 HG3 GLU A 46 16.475 -11.727 6.526 1.00 0.00 H new ATOM 776 N ILE A 47 16.483 -11.332 1.633 1.00 0.00 N ATOM 777 CA ILE A 47 16.966 -11.274 0.225 1.00 0.00 C ATOM 778 C ILE A 47 18.403 -10.739 0.210 1.00 0.00 C ATOM 779 O ILE A 47 18.687 -9.680 0.736 1.00 0.00 O ATOM 780 CB ILE A 47 16.019 -10.362 -0.589 1.00 0.00 C ATOM 781 CG1 ILE A 47 14.808 -11.196 -1.066 1.00 0.00 C ATOM 782 CG2 ILE A 47 16.746 -9.750 -1.797 1.00 0.00 C ATOM 783 CD1 ILE A 47 13.779 -10.327 -1.816 1.00 0.00 C ATOM 0 H ILE A 47 15.650 -10.777 1.829 1.00 0.00 H new ATOM 0 HA ILE A 47 16.965 -12.266 -0.226 1.00 0.00 H new ATOM 0 HB ILE A 47 15.681 -9.544 0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 47 15.153 -11.998 -1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 47 14.330 -11.668 -0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 47 16.057 -9.113 -2.352 1.00 0.00 H new ATOM 0 HG22 ILE A 47 17.591 -9.155 -1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 47 17.107 -10.547 -2.447 1.00 0.00 H new ATOM 0 HD11 ILE A 47 12.942 -10.948 -2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 47 13.415 -9.541 -1.154 1.00 0.00 H new ATOM 0 HD13 ILE A 47 14.251 -9.876 -2.689 1.00 0.00 H new ATOM 795 N LYS A 48 19.308 -11.471 -0.396 1.00 0.00 N ATOM 796 CA LYS A 48 20.738 -11.031 -0.466 1.00 0.00 C ATOM 797 C LYS A 48 21.112 -10.780 -1.927 1.00 0.00 C ATOM 798 O LYS A 48 22.111 -10.154 -2.222 1.00 0.00 O ATOM 799 CB LYS A 48 21.635 -12.131 0.101 1.00 0.00 C ATOM 800 CG LYS A 48 21.448 -12.211 1.617 1.00 0.00 C ATOM 801 CD LYS A 48 22.156 -13.456 2.154 1.00 0.00 C ATOM 802 CE LYS A 48 21.931 -13.565 3.664 1.00 0.00 C ATOM 803 NZ LYS A 48 22.524 -12.379 4.347 1.00 0.00 N ATOM 0 H LYS A 48 19.114 -12.364 -0.850 1.00 0.00 H new ATOM 0 HA LYS A 48 20.871 -10.117 0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.388 -13.089 -0.358 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.678 -11.923 -0.137 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.852 -11.317 2.092 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.386 -12.250 1.862 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.775 -14.347 1.654 1.00 0.00 H new ATOM 0 HD3 LYS A 48 23.223 -13.401 1.938 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.864 -13.625 3.879 1.00 0.00 H new ATOM 0 HE3 LYS A 48 22.385 -14.480 4.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 22.647 -12.586 5.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 23.448 -12.161 3.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.891 -11.562 4.236 1.00 0.00 H new ATOM 817 N GLU A 49 20.311 -11.263 -2.843 1.00 0.00 N ATOM 818 CA GLU A 49 20.597 -11.060 -4.297 1.00 0.00 C ATOM 819 C GLU A 49 19.643 -10.004 -4.852 1.00 0.00 C ATOM 820 O GLU A 49 18.529 -9.856 -4.388 1.00 0.00 O ATOM 821 CB GLU A 49 20.382 -12.378 -5.047 1.00 0.00 C ATOM 822 CG GLU A 49 21.257 -13.468 -4.427 1.00 0.00 C ATOM 823 CD GLU A 49 22.731 -13.091 -4.587 1.00 0.00 C ATOM 824 OE1 GLU A 49 23.293 -13.403 -5.624 1.00 0.00 O ATOM 825 OE2 GLU A 49 23.273 -12.498 -3.669 1.00 0.00 O ATOM 0 H GLU A 49 19.463 -11.794 -2.644 1.00 0.00 H new ATOM 0 HA GLU A 49 21.628 -10.731 -4.425 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.333 -12.669 -4.999 1.00 0.00 H new ATOM 0 HB3 GLU A 49 20.630 -12.253 -6.101 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.014 -13.588 -3.371 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.061 -14.425 -4.910 1.00 0.00 H new ATOM 832 N GLN A 50 20.067 -9.265 -5.840 1.00 0.00 N ATOM 833 CA GLN A 50 19.181 -8.217 -6.423 1.00 0.00 C ATOM 834 C GLN A 50 18.299 -8.842 -7.507 1.00 0.00 C ATOM 835 O GLN A 50 17.230 -8.348 -7.809 1.00 0.00 O ATOM 836 CB GLN A 50 20.041 -7.104 -7.039 1.00 0.00 C ATOM 837 CG GLN A 50 21.295 -6.897 -6.188 1.00 0.00 C ATOM 838 CD GLN A 50 22.017 -5.629 -6.649 1.00 0.00 C ATOM 839 OE1 GLN A 50 21.388 -4.664 -7.034 1.00 0.00 O ATOM 840 NE2 GLN A 50 23.321 -5.593 -6.630 1.00 0.00 N ATOM 0 H GLN A 50 20.989 -9.341 -6.269 1.00 0.00 H new ATOM 0 HA GLN A 50 18.551 -7.796 -5.640 1.00 0.00 H new ATOM 0 HB2 GLN A 50 20.320 -7.368 -8.059 1.00 0.00 H new ATOM 0 HB3 GLN A 50 19.470 -6.177 -7.095 1.00 0.00 H new ATOM 0 HG2 GLN A 50 21.024 -6.812 -5.136 1.00 0.00 H new ATOM 0 HG3 GLN A 50 21.956 -7.759 -6.279 1.00 0.00 H new ATOM 0 HE21 GLN A 50 23.849 -6.404 -6.307 1.00 0.00 H new ATOM 0 HE22 GLN A 50 23.813 -4.754 -6.939 1.00 0.00 H new ATOM 849 N GLU A 51 18.752 -9.908 -8.111 1.00 0.00 N ATOM 850 CA GLU A 51 17.968 -10.558 -9.198 1.00 0.00 C ATOM 851 C GLU A 51 16.492 -10.621 -8.837 1.00 0.00 C ATOM 852 O GLU A 51 15.635 -10.401 -9.670 1.00 0.00 O ATOM 853 CB GLU A 51 18.504 -11.972 -9.443 1.00 0.00 C ATOM 854 CG GLU A 51 19.917 -11.889 -10.026 1.00 0.00 C ATOM 855 CD GLU A 51 19.853 -11.316 -11.443 1.00 0.00 C ATOM 856 OE1 GLU A 51 19.254 -11.956 -12.292 1.00 0.00 O ATOM 857 OE2 GLU A 51 20.401 -10.248 -11.654 1.00 0.00 O ATOM 0 H GLU A 51 19.641 -10.360 -7.895 1.00 0.00 H new ATOM 0 HA GLU A 51 18.074 -9.964 -10.106 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.517 -12.534 -8.509 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.847 -12.508 -10.129 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.545 -11.259 -9.396 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.373 -12.879 -10.043 1.00 0.00 H new ATOM 864 N VAL A 52 16.171 -10.889 -7.611 1.00 0.00 N ATOM 865 CA VAL A 52 14.739 -10.923 -7.232 1.00 0.00 C ATOM 866 C VAL A 52 14.249 -9.492 -7.153 1.00 0.00 C ATOM 867 O VAL A 52 13.153 -9.170 -7.569 1.00 0.00 O ATOM 868 CB VAL A 52 14.562 -11.627 -5.883 1.00 0.00 C ATOM 869 CG1 VAL A 52 15.448 -10.962 -4.823 1.00 0.00 C ATOM 870 CG2 VAL A 52 13.097 -11.540 -5.447 1.00 0.00 C ATOM 0 H VAL A 52 16.831 -11.085 -6.859 1.00 0.00 H new ATOM 0 HA VAL A 52 14.163 -11.478 -7.972 1.00 0.00 H new ATOM 0 HB VAL A 52 14.852 -12.672 -5.988 1.00 0.00 H new ATOM 0 HG11 VAL A 52 15.315 -11.469 -3.867 1.00 0.00 H new ATOM 0 HG12 VAL A 52 16.492 -11.029 -5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 52 15.167 -9.914 -4.719 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.973 -12.041 -4.487 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.808 -10.494 -5.350 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.466 -12.023 -6.193 1.00 0.00 H new ATOM 880 N VAL A 53 15.064 -8.622 -6.647 1.00 0.00 N ATOM 881 CA VAL A 53 14.660 -7.199 -6.570 1.00 0.00 C ATOM 882 C VAL A 53 14.555 -6.696 -8.007 1.00 0.00 C ATOM 883 O VAL A 53 13.848 -5.757 -8.305 1.00 0.00 O ATOM 884 CB VAL A 53 15.704 -6.407 -5.725 1.00 0.00 C ATOM 885 CG1 VAL A 53 16.551 -5.464 -6.591 1.00 0.00 C ATOM 886 CG2 VAL A 53 14.998 -5.574 -4.650 1.00 0.00 C ATOM 0 H VAL A 53 15.993 -8.833 -6.283 1.00 0.00 H new ATOM 0 HA VAL A 53 13.699 -7.064 -6.073 1.00 0.00 H new ATOM 0 HB VAL A 53 16.361 -7.145 -5.266 1.00 0.00 H new ATOM 0 HG11 VAL A 53 17.264 -4.933 -5.960 1.00 0.00 H new ATOM 0 HG12 VAL A 53 17.090 -6.044 -7.340 1.00 0.00 H new ATOM 0 HG13 VAL A 53 15.901 -4.744 -7.088 1.00 0.00 H new ATOM 0 HG21 VAL A 53 15.740 -5.027 -4.068 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.317 -4.868 -5.126 1.00 0.00 H new ATOM 0 HG23 VAL A 53 14.434 -6.234 -3.990 1.00 0.00 H new ATOM 896 N ASP A 54 15.252 -7.343 -8.903 1.00 0.00 N ATOM 897 CA ASP A 54 15.191 -6.931 -10.328 1.00 0.00 C ATOM 898 C ASP A 54 13.886 -7.455 -10.917 1.00 0.00 C ATOM 899 O ASP A 54 13.260 -6.818 -11.742 1.00 0.00 O ATOM 900 CB ASP A 54 16.381 -7.518 -11.089 1.00 0.00 C ATOM 901 CG ASP A 54 17.681 -6.926 -10.538 1.00 0.00 C ATOM 902 OD1 ASP A 54 17.625 -5.840 -9.984 1.00 0.00 O ATOM 903 OD2 ASP A 54 18.709 -7.568 -10.679 1.00 0.00 O ATOM 0 H ASP A 54 15.860 -8.138 -8.706 1.00 0.00 H new ATOM 0 HA ASP A 54 15.231 -5.845 -10.410 1.00 0.00 H new ATOM 0 HB2 ASP A 54 16.391 -8.603 -10.988 1.00 0.00 H new ATOM 0 HB3 ASP A 54 16.291 -7.298 -12.153 1.00 0.00 H new ATOM 908 N LYS A 55 13.461 -8.613 -10.486 1.00 0.00 N ATOM 909 CA LYS A 55 12.183 -9.177 -11.009 1.00 0.00 C ATOM 910 C LYS A 55 11.012 -8.556 -10.248 1.00 0.00 C ATOM 911 O LYS A 55 10.021 -8.173 -10.830 1.00 0.00 O ATOM 912 CB LYS A 55 12.167 -10.701 -10.825 1.00 0.00 C ATOM 913 CG LYS A 55 10.806 -11.289 -11.280 1.00 0.00 C ATOM 914 CD LYS A 55 9.887 -11.539 -10.067 1.00 0.00 C ATOM 915 CE LYS A 55 10.198 -12.903 -9.444 1.00 0.00 C ATOM 916 NZ LYS A 55 9.957 -13.973 -10.451 1.00 0.00 N ATOM 0 H LYS A 55 13.942 -9.191 -9.797 1.00 0.00 H new ATOM 0 HA LYS A 55 12.095 -8.949 -12.071 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.975 -11.151 -11.401 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.345 -10.949 -9.779 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.321 -10.602 -11.974 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.969 -12.223 -11.817 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.027 -10.752 -9.326 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.843 -11.502 -10.378 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.234 -12.933 -9.106 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.572 -13.066 -8.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.388 -14.731 -10.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.447 -13.575 -11.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.868 -14.361 -10.770 1.00 0.00 H new ATOM 930 N VAL A 56 11.104 -8.441 -8.952 1.00 0.00 N ATOM 931 CA VAL A 56 9.975 -7.829 -8.204 1.00 0.00 C ATOM 932 C VAL A 56 9.756 -6.424 -8.772 1.00 0.00 C ATOM 933 O VAL A 56 8.642 -5.958 -8.910 1.00 0.00 O ATOM 934 CB VAL A 56 10.312 -7.798 -6.687 1.00 0.00 C ATOM 935 CG1 VAL A 56 10.985 -6.476 -6.290 1.00 0.00 C ATOM 936 CG2 VAL A 56 9.035 -7.968 -5.854 1.00 0.00 C ATOM 0 H VAL A 56 11.899 -8.740 -8.387 1.00 0.00 H new ATOM 0 HA VAL A 56 9.058 -8.407 -8.316 1.00 0.00 H new ATOM 0 HB VAL A 56 11.000 -8.620 -6.490 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.207 -6.487 -5.223 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.911 -6.356 -6.852 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.315 -5.645 -6.512 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.286 -7.944 -4.794 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.342 -7.158 -6.081 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.568 -8.923 -6.095 1.00 0.00 H new ATOM 946 N MET A 57 10.826 -5.759 -9.117 1.00 0.00 N ATOM 947 CA MET A 57 10.712 -4.393 -9.695 1.00 0.00 C ATOM 948 C MET A 57 9.966 -4.472 -11.031 1.00 0.00 C ATOM 949 O MET A 57 9.348 -3.520 -11.462 1.00 0.00 O ATOM 950 CB MET A 57 12.119 -3.826 -9.919 1.00 0.00 C ATOM 951 CG MET A 57 12.035 -2.374 -10.395 1.00 0.00 C ATOM 952 SD MET A 57 11.398 -1.340 -9.054 1.00 0.00 S ATOM 953 CE MET A 57 12.994 -0.947 -8.292 1.00 0.00 C ATOM 0 H MET A 57 11.780 -6.108 -9.022 1.00 0.00 H new ATOM 0 HA MET A 57 10.163 -3.743 -9.014 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.692 -3.880 -8.993 1.00 0.00 H new ATOM 0 HB3 MET A 57 12.648 -4.428 -10.657 1.00 0.00 H new ATOM 0 HG2 MET A 57 13.020 -2.023 -10.704 1.00 0.00 H new ATOM 0 HG3 MET A 57 11.383 -2.302 -11.266 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.877 -0.098 -7.619 1.00 0.00 H new ATOM 0 HE2 MET A 57 13.351 -1.809 -7.729 1.00 0.00 H new ATOM 0 HE3 MET A 57 13.716 -0.697 -9.069 1.00 0.00 H new ATOM 963 N GLU A 58 10.018 -5.600 -11.692 1.00 0.00 N ATOM 964 CA GLU A 58 9.308 -5.726 -13.000 1.00 0.00 C ATOM 965 C GLU A 58 7.808 -5.860 -12.753 1.00 0.00 C ATOM 966 O GLU A 58 6.995 -5.436 -13.551 1.00 0.00 O ATOM 967 CB GLU A 58 9.820 -6.956 -13.761 1.00 0.00 C ATOM 968 CG GLU A 58 11.194 -6.647 -14.353 1.00 0.00 C ATOM 969 CD GLU A 58 11.770 -7.907 -15.001 1.00 0.00 C ATOM 970 OE1 GLU A 58 11.077 -8.910 -15.018 1.00 0.00 O ATOM 971 OE2 GLU A 58 12.896 -7.848 -15.468 1.00 0.00 O ATOM 0 H GLU A 58 10.518 -6.434 -11.385 1.00 0.00 H new ATOM 0 HA GLU A 58 9.500 -4.836 -13.599 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.885 -7.812 -13.090 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.122 -7.224 -14.554 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.111 -5.851 -15.093 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.865 -6.288 -13.572 1.00 0.00 H new ATOM 978 N THR A 59 7.433 -6.442 -11.650 1.00 0.00 N ATOM 979 CA THR A 59 5.981 -6.595 -11.344 1.00 0.00 C ATOM 980 C THR A 59 5.483 -5.352 -10.613 1.00 0.00 C ATOM 981 O THR A 59 4.327 -4.989 -10.702 1.00 0.00 O ATOM 982 CB THR A 59 5.764 -7.809 -10.439 1.00 0.00 C ATOM 983 OG1 THR A 59 6.217 -8.983 -11.099 1.00 0.00 O ATOM 984 CG2 THR A 59 4.272 -7.935 -10.125 1.00 0.00 C ATOM 0 H THR A 59 8.067 -6.819 -10.946 1.00 0.00 H new ATOM 0 HA THR A 59 5.436 -6.729 -12.278 1.00 0.00 H new ATOM 0 HB THR A 59 6.324 -7.684 -9.512 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.079 -9.759 -10.517 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.108 -8.798 -9.480 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.929 -7.033 -9.618 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.715 -8.064 -11.053 1.00 0.00 H new ATOM 992 N LEU A 60 6.341 -4.713 -9.864 1.00 0.00 N ATOM 993 CA LEU A 60 5.920 -3.517 -9.095 1.00 0.00 C ATOM 994 C LEU A 60 6.082 -2.242 -9.932 1.00 0.00 C ATOM 995 O LEU A 60 5.153 -1.470 -10.072 1.00 0.00 O ATOM 996 CB LEU A 60 6.788 -3.428 -7.844 1.00 0.00 C ATOM 997 CG LEU A 60 6.305 -2.281 -6.960 1.00 0.00 C ATOM 998 CD1 LEU A 60 4.874 -2.556 -6.448 1.00 0.00 C ATOM 999 CD2 LEU A 60 7.268 -2.126 -5.779 1.00 0.00 C ATOM 0 H LEU A 60 7.321 -4.974 -9.754 1.00 0.00 H new ATOM 0 HA LEU A 60 4.867 -3.608 -8.827 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.745 -4.367 -7.293 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.830 -3.270 -8.123 1.00 0.00 H new ATOM 0 HG LEU A 60 6.284 -1.360 -7.542 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.547 -1.728 -5.820 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.197 -2.657 -7.296 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.867 -3.478 -5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.932 -1.309 -5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.289 -3.051 -5.203 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.269 -1.908 -6.152 1.00 0.00 H new ATOM 1011 N ASP A 61 7.240 -1.999 -10.486 1.00 0.00 N ATOM 1012 CA ASP A 61 7.419 -0.761 -11.297 1.00 0.00 C ATOM 1013 C ASP A 61 6.385 -0.724 -12.407 1.00 0.00 C ATOM 1014 O ASP A 61 6.465 -1.436 -13.387 1.00 0.00 O ATOM 1015 CB ASP A 61 8.824 -0.735 -11.877 1.00 0.00 C ATOM 1016 CG ASP A 61 9.076 0.623 -12.524 1.00 0.00 C ATOM 1017 OD1 ASP A 61 8.173 1.445 -12.503 1.00 0.00 O ATOM 1018 OD2 ASP A 61 10.164 0.819 -13.031 1.00 0.00 O ATOM 0 H ASP A 61 8.062 -2.598 -10.413 1.00 0.00 H new ATOM 0 HA ASP A 61 7.283 0.116 -10.664 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.558 -0.919 -11.092 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.940 -1.529 -12.614 1.00 0.00 H new ATOM 1023 N GLU A 62 5.406 0.116 -12.238 1.00 0.00 N ATOM 1024 CA GLU A 62 4.328 0.238 -13.255 1.00 0.00 C ATOM 1025 C GLU A 62 4.724 1.300 -14.262 1.00 0.00 C ATOM 1026 O GLU A 62 4.587 1.123 -15.457 1.00 0.00 O ATOM 1027 CB GLU A 62 3.015 0.639 -12.577 1.00 0.00 C ATOM 1028 CG GLU A 62 1.861 0.473 -13.567 1.00 0.00 C ATOM 1029 CD GLU A 62 1.614 -1.016 -13.818 1.00 0.00 C ATOM 1030 OE1 GLU A 62 1.938 -1.805 -12.947 1.00 0.00 O ATOM 1031 OE2 GLU A 62 1.104 -1.341 -14.877 1.00 0.00 O ATOM 0 H GLU A 62 5.305 0.730 -11.430 1.00 0.00 H new ATOM 0 HA GLU A 62 4.188 -0.719 -13.758 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.844 0.021 -11.696 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.070 1.673 -12.236 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.959 0.941 -13.172 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.097 0.976 -14.505 1.00 0.00 H new ATOM 1038 N ASP A 63 5.229 2.399 -13.795 1.00 0.00 N ATOM 1039 CA ASP A 63 5.649 3.462 -14.731 1.00 0.00 C ATOM 1040 C ASP A 63 6.971 3.032 -15.364 1.00 0.00 C ATOM 1041 O ASP A 63 7.490 3.690 -16.245 1.00 0.00 O ATOM 1042 CB ASP A 63 5.827 4.783 -13.969 1.00 0.00 C ATOM 1043 CG ASP A 63 6.373 4.501 -12.567 1.00 0.00 C ATOM 1044 OD1 ASP A 63 5.766 3.714 -11.860 1.00 0.00 O ATOM 1045 OD2 ASP A 63 7.386 5.083 -12.222 1.00 0.00 O ATOM 0 H ASP A 63 5.369 2.606 -12.806 1.00 0.00 H new ATOM 0 HA ASP A 63 4.896 3.614 -15.504 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.510 5.437 -14.511 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.873 5.305 -13.900 1.00 0.00 H new ATOM 1050 N GLY A 64 7.525 1.927 -14.927 1.00 0.00 N ATOM 1051 CA GLY A 64 8.812 1.477 -15.526 1.00 0.00 C ATOM 1052 C GLY A 64 9.869 2.540 -15.242 1.00 0.00 C ATOM 1053 O GLY A 64 10.615 2.937 -16.114 1.00 0.00 O ATOM 0 H GLY A 64 7.146 1.328 -14.193 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.114 0.519 -15.103 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.700 1.330 -16.600 1.00 0.00 H new ATOM 1057 N ASP A 65 9.924 3.022 -14.026 1.00 0.00 N ATOM 1058 CA ASP A 65 10.924 4.083 -13.686 1.00 0.00 C ATOM 1059 C ASP A 65 12.147 3.454 -13.028 1.00 0.00 C ATOM 1060 O ASP A 65 13.132 4.116 -12.768 1.00 0.00 O ATOM 1061 CB ASP A 65 10.290 5.074 -12.710 1.00 0.00 C ATOM 1062 CG ASP A 65 9.778 4.317 -11.484 1.00 0.00 C ATOM 1063 OD1 ASP A 65 10.014 3.122 -11.410 1.00 0.00 O ATOM 1064 OD2 ASP A 65 9.159 4.943 -10.641 1.00 0.00 O ATOM 0 H ASP A 65 9.323 2.729 -13.256 1.00 0.00 H new ATOM 0 HA ASP A 65 11.228 4.595 -14.599 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.021 5.824 -12.409 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.469 5.604 -13.193 1.00 0.00 H new ATOM 1069 N GLY A 66 12.097 2.184 -12.751 1.00 0.00 N ATOM 1070 CA GLY A 66 13.269 1.527 -12.102 1.00 0.00 C ATOM 1071 C GLY A 66 13.298 1.928 -10.632 1.00 0.00 C ATOM 1072 O GLY A 66 14.237 1.650 -9.910 1.00 0.00 O ATOM 0 H GLY A 66 11.303 1.573 -12.943 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.196 0.444 -12.197 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.193 1.829 -12.595 1.00 0.00 H new ATOM 1076 N GLU A 67 12.260 2.575 -10.187 1.00 0.00 N ATOM 1077 CA GLU A 67 12.171 3.007 -8.767 1.00 0.00 C ATOM 1078 C GLU A 67 10.746 2.744 -8.293 1.00 0.00 C ATOM 1079 O GLU A 67 9.891 2.379 -9.074 1.00 0.00 O ATOM 1080 CB GLU A 67 12.484 4.500 -8.656 1.00 0.00 C ATOM 1081 CG GLU A 67 13.779 4.815 -9.409 1.00 0.00 C ATOM 1082 CD GLU A 67 14.160 6.279 -9.176 1.00 0.00 C ATOM 1083 OE1 GLU A 67 13.602 7.128 -9.851 1.00 0.00 O ATOM 1084 OE2 GLU A 67 15.000 6.524 -8.328 1.00 0.00 O ATOM 0 H GLU A 67 11.454 2.827 -10.759 1.00 0.00 H new ATOM 0 HA GLU A 67 12.888 2.458 -8.156 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.662 5.085 -9.068 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.584 4.783 -7.608 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.580 4.160 -9.066 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.648 4.627 -10.475 1.00 0.00 H new ATOM 1091 N CYS A 68 10.483 2.914 -7.024 1.00 0.00 N ATOM 1092 CA CYS A 68 9.105 2.656 -6.496 1.00 0.00 C ATOM 1093 C CYS A 68 8.546 3.906 -5.820 1.00 0.00 C ATOM 1094 O CYS A 68 8.773 4.136 -4.647 1.00 0.00 O ATOM 1095 CB CYS A 68 9.163 1.525 -5.468 1.00 0.00 C ATOM 1096 SG CYS A 68 10.151 0.157 -6.122 1.00 0.00 S ATOM 0 H CYS A 68 11.162 3.221 -6.327 1.00 0.00 H new ATOM 0 HA CYS A 68 8.458 2.381 -7.329 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.599 1.888 -4.537 1.00 0.00 H new ATOM 0 HB3 CYS A 68 8.156 1.180 -5.235 1.00 0.00 H new ATOM 0 HG CYS A 68 10.193 0.233 -7.419 1.00 0.00 H new ATOM 1102 N ASP A 69 7.814 4.719 -6.542 1.00 0.00 N ATOM 1103 CA ASP A 69 7.228 5.940 -5.916 1.00 0.00 C ATOM 1104 C ASP A 69 6.477 5.509 -4.657 1.00 0.00 C ATOM 1105 O ASP A 69 6.482 4.353 -4.302 1.00 0.00 O ATOM 1106 CB ASP A 69 6.257 6.612 -6.890 1.00 0.00 C ATOM 1107 CG ASP A 69 6.929 6.775 -8.254 1.00 0.00 C ATOM 1108 OD1 ASP A 69 7.386 5.777 -8.789 1.00 0.00 O ATOM 1109 OD2 ASP A 69 6.976 7.892 -8.740 1.00 0.00 O ATOM 0 H ASP A 69 7.599 4.590 -7.531 1.00 0.00 H new ATOM 0 HA ASP A 69 8.016 6.651 -5.667 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.352 6.013 -6.989 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.954 7.585 -6.504 1.00 0.00 H new ATOM 1114 N PHE A 70 5.825 6.402 -3.973 1.00 0.00 N ATOM 1115 CA PHE A 70 5.097 5.988 -2.741 1.00 0.00 C ATOM 1116 C PHE A 70 3.805 5.225 -3.100 1.00 0.00 C ATOM 1117 O PHE A 70 3.338 4.400 -2.345 1.00 0.00 O ATOM 1118 CB PHE A 70 4.757 7.231 -1.892 1.00 0.00 C ATOM 1119 CG PHE A 70 4.610 8.455 -2.779 1.00 0.00 C ATOM 1120 CD1 PHE A 70 3.523 8.569 -3.657 1.00 0.00 C ATOM 1121 CD2 PHE A 70 5.567 9.479 -2.721 1.00 0.00 C ATOM 1122 CE1 PHE A 70 3.394 9.700 -4.473 1.00 0.00 C ATOM 1123 CE2 PHE A 70 5.438 10.607 -3.540 1.00 0.00 C ATOM 1124 CZ PHE A 70 4.352 10.718 -4.415 1.00 0.00 C ATOM 0 H PHE A 70 5.763 7.393 -4.208 1.00 0.00 H new ATOM 0 HA PHE A 70 5.740 5.323 -2.165 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.832 7.061 -1.341 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.541 7.401 -1.154 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.784 7.783 -3.704 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.404 9.397 -2.044 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.555 9.786 -5.147 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.178 11.393 -3.496 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.253 11.589 -5.046 1.00 0.00 H new ATOM 1134 N GLN A 71 3.211 5.525 -4.221 1.00 0.00 N ATOM 1135 CA GLN A 71 1.930 4.865 -4.603 1.00 0.00 C ATOM 1136 C GLN A 71 2.124 3.373 -4.865 1.00 0.00 C ATOM 1137 O GLN A 71 1.390 2.545 -4.352 1.00 0.00 O ATOM 1138 CB GLN A 71 1.362 5.535 -5.863 1.00 0.00 C ATOM 1139 CG GLN A 71 0.033 4.876 -6.232 1.00 0.00 C ATOM 1140 CD GLN A 71 -0.669 5.692 -7.319 1.00 0.00 C ATOM 1141 OE1 GLN A 71 -0.105 6.625 -7.856 1.00 0.00 O ATOM 1142 NE2 GLN A 71 -1.885 5.375 -7.668 1.00 0.00 N ATOM 0 H GLN A 71 3.561 6.205 -4.895 1.00 0.00 H new ATOM 0 HA GLN A 71 1.234 4.976 -3.772 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.216 6.601 -5.687 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.068 5.442 -6.688 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.207 3.859 -6.584 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.604 4.804 -5.351 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.357 4.592 -7.217 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.364 5.910 -8.392 1.00 0.00 H new ATOM 1151 N GLU A 72 3.111 2.997 -5.629 1.00 0.00 N ATOM 1152 CA GLU A 72 3.313 1.547 -5.886 1.00 0.00 C ATOM 1153 C GLU A 72 4.200 0.966 -4.793 1.00 0.00 C ATOM 1154 O GLU A 72 4.058 -0.174 -4.414 1.00 0.00 O ATOM 1155 CB GLU A 72 3.934 1.349 -7.274 1.00 0.00 C ATOM 1156 CG GLU A 72 5.424 1.751 -7.277 1.00 0.00 C ATOM 1157 CD GLU A 72 5.824 2.268 -8.664 1.00 0.00 C ATOM 1158 OE1 GLU A 72 5.686 1.518 -9.616 1.00 0.00 O ATOM 1159 OE2 GLU A 72 6.259 3.405 -8.748 1.00 0.00 O ATOM 0 H GLU A 72 3.778 3.623 -6.081 1.00 0.00 H new ATOM 0 HA GLU A 72 2.356 1.025 -5.870 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.835 0.306 -7.575 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.391 1.946 -8.007 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.603 2.521 -6.527 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.041 0.894 -7.007 1.00 0.00 H new ATOM 1166 N PHE A 73 5.094 1.738 -4.247 1.00 0.00 N ATOM 1167 CA PHE A 73 5.941 1.188 -3.154 1.00 0.00 C ATOM 1168 C PHE A 73 5.018 0.598 -2.098 1.00 0.00 C ATOM 1169 O PHE A 73 5.172 -0.526 -1.688 1.00 0.00 O ATOM 1170 CB PHE A 73 6.792 2.299 -2.548 1.00 0.00 C ATOM 1171 CG PHE A 73 7.410 1.886 -1.224 1.00 0.00 C ATOM 1172 CD1 PHE A 73 7.716 0.542 -0.933 1.00 0.00 C ATOM 1173 CD2 PHE A 73 7.695 2.881 -0.282 1.00 0.00 C ATOM 1174 CE1 PHE A 73 8.300 0.213 0.295 1.00 0.00 C ATOM 1175 CE2 PHE A 73 8.281 2.546 0.939 1.00 0.00 C ATOM 1176 CZ PHE A 73 8.584 1.216 1.229 1.00 0.00 C ATOM 0 H PHE A 73 5.274 2.709 -4.503 1.00 0.00 H new ATOM 0 HA PHE A 73 6.610 0.419 -3.540 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.582 2.572 -3.247 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.177 3.187 -2.400 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.501 -0.232 -1.655 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.460 3.912 -0.501 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.532 -0.817 0.523 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.500 3.318 1.661 1.00 0.00 H new ATOM 0 HZ PHE A 73 9.038 0.960 2.175 1.00 0.00 H new ATOM 1186 N MET A 74 4.014 1.324 -1.691 1.00 0.00 N ATOM 1187 CA MET A 74 3.063 0.746 -0.708 1.00 0.00 C ATOM 1188 C MET A 74 2.601 -0.577 -1.299 1.00 0.00 C ATOM 1189 O MET A 74 2.567 -1.600 -0.641 1.00 0.00 O ATOM 1190 CB MET A 74 1.867 1.690 -0.528 1.00 0.00 C ATOM 1191 CG MET A 74 1.118 1.383 0.791 1.00 0.00 C ATOM 1192 SD MET A 74 1.656 2.537 2.088 1.00 0.00 S ATOM 1193 CE MET A 74 0.031 2.874 2.825 1.00 0.00 C ATOM 0 H MET A 74 3.814 2.278 -1.992 1.00 0.00 H new ATOM 0 HA MET A 74 3.526 0.605 0.269 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.212 2.724 -0.524 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.185 1.585 -1.372 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.042 1.470 0.638 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.314 0.356 1.101 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.135 3.627 3.607 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.648 3.241 2.056 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.370 1.957 3.256 1.00 0.00 H new ATOM 1203 N ALA A 75 2.250 -0.553 -2.556 1.00 0.00 N ATOM 1204 CA ALA A 75 1.795 -1.817 -3.200 1.00 0.00 C ATOM 1205 C ALA A 75 2.849 -2.908 -2.960 1.00 0.00 C ATOM 1206 O ALA A 75 2.559 -4.083 -3.057 1.00 0.00 O ATOM 1207 CB ALA A 75 1.569 -1.604 -4.700 1.00 0.00 C ATOM 0 H ALA A 75 2.258 0.272 -3.156 1.00 0.00 H new ATOM 0 HA ALA A 75 0.847 -2.128 -2.761 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.237 -2.538 -5.154 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.808 -0.838 -4.848 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.501 -1.285 -5.167 1.00 0.00 H new ATOM 1213 N PHE A 76 4.061 -2.540 -2.609 1.00 0.00 N ATOM 1214 CA PHE A 76 5.084 -3.598 -2.331 1.00 0.00 C ATOM 1215 C PHE A 76 4.656 -4.325 -1.070 1.00 0.00 C ATOM 1216 O PHE A 76 4.470 -5.523 -1.061 1.00 0.00 O ATOM 1217 CB PHE A 76 6.479 -3.001 -2.093 1.00 0.00 C ATOM 1218 CG PHE A 76 7.439 -4.106 -1.698 1.00 0.00 C ATOM 1219 CD1 PHE A 76 8.039 -4.908 -2.675 1.00 0.00 C ATOM 1220 CD2 PHE A 76 7.722 -4.327 -0.343 1.00 0.00 C ATOM 1221 CE1 PHE A 76 8.924 -5.928 -2.297 1.00 0.00 C ATOM 1222 CE2 PHE A 76 8.605 -5.345 0.033 1.00 0.00 C ATOM 1223 CZ PHE A 76 9.206 -6.146 -0.944 1.00 0.00 C ATOM 0 H PHE A 76 4.380 -1.577 -2.505 1.00 0.00 H new ATOM 0 HA PHE A 76 5.145 -4.262 -3.194 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.832 -2.503 -2.996 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.434 -2.245 -1.309 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.821 -4.742 -3.720 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.258 -3.710 0.412 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.388 -6.546 -3.051 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.823 -5.513 1.077 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.887 -6.932 -0.654 1.00 0.00 H new ATOM 1233 N VAL A 77 4.474 -3.598 -0.005 1.00 0.00 N ATOM 1234 CA VAL A 77 4.037 -4.241 1.259 1.00 0.00 C ATOM 1235 C VAL A 77 2.768 -5.048 0.987 1.00 0.00 C ATOM 1236 O VAL A 77 2.488 -6.039 1.624 1.00 0.00 O ATOM 1237 CB VAL A 77 3.728 -3.166 2.297 1.00 0.00 C ATOM 1238 CG1 VAL A 77 3.317 -3.838 3.599 1.00 0.00 C ATOM 1239 CG2 VAL A 77 4.968 -2.309 2.542 1.00 0.00 C ATOM 0 H VAL A 77 4.609 -2.588 0.043 1.00 0.00 H new ATOM 0 HA VAL A 77 4.827 -4.893 1.633 1.00 0.00 H new ATOM 0 HB VAL A 77 2.920 -2.531 1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.094 -3.077 4.347 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.431 -4.450 3.429 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.131 -4.469 3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.740 -1.544 3.284 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.779 -2.939 2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.271 -1.832 1.610 1.00 0.00 H new ATOM 1249 N SER A 78 1.998 -4.615 0.042 1.00 0.00 N ATOM 1250 CA SER A 78 0.740 -5.324 -0.293 1.00 0.00 C ATOM 1251 C SER A 78 1.059 -6.670 -0.933 1.00 0.00 C ATOM 1252 O SER A 78 0.351 -7.637 -0.751 1.00 0.00 O ATOM 1253 CB SER A 78 -0.052 -4.475 -1.276 1.00 0.00 C ATOM 1254 OG SER A 78 -1.396 -4.931 -1.304 1.00 0.00 O ATOM 0 H SER A 78 2.187 -3.787 -0.523 1.00 0.00 H new ATOM 0 HA SER A 78 0.160 -5.490 0.615 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.017 -3.426 -0.981 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.389 -4.541 -2.271 1.00 0.00 H new ATOM 0 HG SER A 78 -1.934 -4.328 -1.858 1.00 0.00 H new ATOM 1260 N MET A 79 2.115 -6.734 -1.689 1.00 0.00 N ATOM 1261 CA MET A 79 2.479 -8.013 -2.355 1.00 0.00 C ATOM 1262 C MET A 79 3.134 -8.957 -1.350 1.00 0.00 C ATOM 1263 O MET A 79 3.013 -10.162 -1.452 1.00 0.00 O ATOM 1264 CB MET A 79 3.447 -7.732 -3.506 1.00 0.00 C ATOM 1265 CG MET A 79 2.696 -7.058 -4.657 1.00 0.00 C ATOM 1266 SD MET A 79 3.879 -6.247 -5.757 1.00 0.00 S ATOM 1267 CE MET A 79 4.714 -7.742 -6.337 1.00 0.00 C ATOM 0 H MET A 79 2.745 -5.954 -1.876 1.00 0.00 H new ATOM 0 HA MET A 79 1.576 -8.483 -2.746 1.00 0.00 H new ATOM 0 HB2 MET A 79 4.259 -7.090 -3.163 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.899 -8.662 -3.849 1.00 0.00 H new ATOM 0 HG2 MET A 79 2.117 -7.798 -5.210 1.00 0.00 H new ATOM 0 HG3 MET A 79 1.988 -6.328 -4.265 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.276 -7.516 -7.243 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.396 -8.100 -5.566 1.00 0.00 H new ATOM 0 HE3 MET A 79 3.973 -8.512 -6.552 1.00 0.00 H new ATOM 1277 N VAL A 80 3.801 -8.428 -0.360 1.00 0.00 N ATOM 1278 CA VAL A 80 4.425 -9.305 0.665 1.00 0.00 C ATOM 1279 C VAL A 80 3.364 -9.548 1.717 1.00 0.00 C ATOM 1280 O VAL A 80 3.297 -10.594 2.328 1.00 0.00 O ATOM 1281 CB VAL A 80 5.684 -8.646 1.293 1.00 0.00 C ATOM 1282 CG1 VAL A 80 6.445 -7.840 0.238 1.00 0.00 C ATOM 1283 CG2 VAL A 80 5.297 -7.712 2.453 1.00 0.00 C ATOM 0 H VAL A 80 3.939 -7.427 -0.219 1.00 0.00 H new ATOM 0 HA VAL A 80 4.765 -10.239 0.217 1.00 0.00 H new ATOM 0 HB VAL A 80 6.320 -9.445 1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.324 -7.384 0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.756 -8.501 -0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.797 -7.059 -0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.197 -7.264 2.875 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.639 -6.926 2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.781 -8.284 3.224 1.00 0.00 H new ATOM 1293 N THR A 81 2.522 -8.575 1.926 1.00 0.00 N ATOM 1294 CA THR A 81 1.455 -8.743 2.930 1.00 0.00 C ATOM 1295 C THR A 81 0.396 -9.665 2.353 1.00 0.00 C ATOM 1296 O THR A 81 -0.202 -10.451 3.061 1.00 0.00 O ATOM 1297 CB THR A 81 0.841 -7.383 3.265 1.00 0.00 C ATOM 1298 OG1 THR A 81 1.844 -6.544 3.812 1.00 0.00 O ATOM 1299 CG2 THR A 81 -0.288 -7.562 4.280 1.00 0.00 C ATOM 0 H THR A 81 2.532 -7.677 1.443 1.00 0.00 H new ATOM 0 HA THR A 81 1.863 -9.173 3.845 1.00 0.00 H new ATOM 0 HB THR A 81 0.437 -6.931 2.359 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.593 -6.478 3.184 1.00 0.00 H new ATOM 0 HG21 THR A 81 -0.723 -6.591 4.516 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.056 -8.211 3.859 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.109 -8.013 5.190 1.00 0.00 H new ATOM 1307 N THR A 82 0.135 -9.583 1.071 1.00 0.00 N ATOM 1308 CA THR A 82 -0.910 -10.469 0.483 1.00 0.00 C ATOM 1309 C THR A 82 -0.436 -11.919 0.497 1.00 0.00 C ATOM 1310 O THR A 82 -1.205 -12.820 0.760 1.00 0.00 O ATOM 1311 CB THR A 82 -1.182 -10.047 -0.963 1.00 0.00 C ATOM 1312 OG1 THR A 82 0.048 -9.787 -1.618 1.00 0.00 O ATOM 1313 CG2 THR A 82 -2.057 -8.787 -0.979 1.00 0.00 C ATOM 0 H THR A 82 0.594 -8.950 0.417 1.00 0.00 H new ATOM 0 HA THR A 82 -1.821 -10.381 1.074 1.00 0.00 H new ATOM 0 HB THR A 82 -1.705 -10.850 -1.483 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.275 -8.839 -1.523 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.248 -8.490 -2.010 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.003 -8.995 -0.480 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.542 -7.980 -0.458 1.00 0.00 H new ATOM 1321 N ALA A 83 0.817 -12.167 0.220 1.00 0.00 N ATOM 1322 CA ALA A 83 1.298 -13.570 0.231 1.00 0.00 C ATOM 1323 C ALA A 83 1.028 -14.157 1.610 1.00 0.00 C ATOM 1324 O ALA A 83 0.624 -15.295 1.748 1.00 0.00 O ATOM 1325 CB ALA A 83 2.799 -13.598 -0.063 1.00 0.00 C ATOM 0 H ALA A 83 1.518 -11.463 -0.011 1.00 0.00 H new ATOM 0 HA ALA A 83 0.781 -14.154 -0.530 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.152 -14.629 -0.055 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.986 -13.158 -1.043 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.330 -13.027 0.699 1.00 0.00 H new ATOM 1331 N CYS A 84 1.233 -13.378 2.634 1.00 0.00 N ATOM 1332 CA CYS A 84 0.970 -13.885 4.009 1.00 0.00 C ATOM 1333 C CYS A 84 -0.525 -14.158 4.159 1.00 0.00 C ATOM 1334 O CYS A 84 -0.952 -14.852 5.060 1.00 0.00 O ATOM 1335 CB CYS A 84 1.405 -12.832 5.032 1.00 0.00 C ATOM 1336 SG CYS A 84 3.129 -12.372 4.728 1.00 0.00 S ATOM 0 H CYS A 84 1.570 -12.417 2.580 1.00 0.00 H new ATOM 0 HA CYS A 84 1.531 -14.804 4.179 1.00 0.00 H new ATOM 0 HB2 CYS A 84 0.765 -11.953 4.960 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.295 -13.224 6.043 1.00 0.00 H new ATOM 0 HG CYS A 84 3.234 -11.840 3.547 1.00 0.00 H new ATOM 1342 N HIS A 85 -1.327 -13.613 3.278 1.00 0.00 N ATOM 1343 CA HIS A 85 -2.805 -13.829 3.353 1.00 0.00 C ATOM 1344 C HIS A 85 -3.240 -14.809 2.259 1.00 0.00 C ATOM 1345 O HIS A 85 -4.135 -15.609 2.453 1.00 0.00 O ATOM 1346 CB HIS A 85 -3.518 -12.488 3.153 1.00 0.00 C ATOM 1347 CG HIS A 85 -4.948 -12.610 3.601 1.00 0.00 C ATOM 1348 ND1 HIS A 85 -5.288 -12.931 4.905 1.00 0.00 N ATOM 1349 CD2 HIS A 85 -6.134 -12.466 2.928 1.00 0.00 C ATOM 1350 CE1 HIS A 85 -6.630 -12.972 4.974 1.00 0.00 C ATOM 1351 NE2 HIS A 85 -7.196 -12.697 3.797 1.00 0.00 N ATOM 0 H HIS A 85 -1.019 -13.024 2.505 1.00 0.00 H new ATOM 0 HA HIS A 85 -3.065 -14.243 4.327 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.013 -11.707 3.721 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.478 -12.195 2.104 1.00 0.00 H new ATOM 0 HD1 HIS A 85 -4.639 -13.105 5.672 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -6.229 -12.212 1.883 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.183 -13.200 5.873 1.00 0.00 H new ATOM 1359 N GLU A 86 -2.619 -14.759 1.110 1.00 0.00 N ATOM 1360 CA GLU A 86 -3.006 -15.694 0.017 1.00 0.00 C ATOM 1361 C GLU A 86 -2.584 -17.113 0.398 1.00 0.00 C ATOM 1362 O GLU A 86 -3.256 -18.077 0.088 1.00 0.00 O ATOM 1363 CB GLU A 86 -2.309 -15.282 -1.284 1.00 0.00 C ATOM 1364 CG GLU A 86 -2.525 -16.359 -2.354 1.00 0.00 C ATOM 1365 CD GLU A 86 -2.190 -15.787 -3.733 1.00 0.00 C ATOM 1366 OE1 GLU A 86 -2.871 -14.866 -4.152 1.00 0.00 O ATOM 1367 OE2 GLU A 86 -1.257 -16.280 -4.347 1.00 0.00 O ATOM 0 H GLU A 86 -1.863 -14.113 0.883 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.086 -15.659 -0.129 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.703 -14.327 -1.632 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.243 -15.141 -1.107 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.896 -17.224 -2.146 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.559 -16.704 -2.334 1.00 0.00 H new ATOM 1374 N PHE A 87 -1.475 -17.248 1.068 1.00 0.00 N ATOM 1375 CA PHE A 87 -1.012 -18.602 1.470 1.00 0.00 C ATOM 1376 C PHE A 87 -1.897 -19.119 2.607 1.00 0.00 C ATOM 1377 O PHE A 87 -2.297 -20.265 2.623 1.00 0.00 O ATOM 1378 CB PHE A 87 0.448 -18.527 1.928 1.00 0.00 C ATOM 1379 CG PHE A 87 1.033 -19.918 2.005 1.00 0.00 C ATOM 1380 CD1 PHE A 87 0.764 -20.728 3.112 1.00 0.00 C ATOM 1381 CD2 PHE A 87 1.849 -20.394 0.970 1.00 0.00 C ATOM 1382 CE1 PHE A 87 1.311 -22.016 3.189 1.00 0.00 C ATOM 1383 CE2 PHE A 87 2.396 -21.681 1.046 1.00 0.00 C ATOM 1384 CZ PHE A 87 2.126 -22.493 2.155 1.00 0.00 C ATOM 0 H PHE A 87 -0.870 -16.479 1.354 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.082 -19.285 0.623 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.026 -17.918 1.233 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.508 -18.043 2.903 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.134 -20.361 3.909 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.056 -19.769 0.114 1.00 0.00 H new ATOM 0 HE1 PHE A 87 1.104 -22.640 4.046 1.00 0.00 H new ATOM 0 HE2 PHE A 87 3.026 -22.048 0.249 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.546 -23.486 2.213 1.00 0.00 H new ATOM 1394 N PHE A 88 -2.214 -18.278 3.555 1.00 0.00 N ATOM 1395 CA PHE A 88 -3.085 -18.727 4.681 1.00 0.00 C ATOM 1396 C PHE A 88 -4.508 -18.963 4.150 1.00 0.00 C ATOM 1397 O PHE A 88 -5.365 -19.461 4.852 1.00 0.00 O ATOM 1398 CB PHE A 88 -3.115 -17.638 5.775 1.00 0.00 C ATOM 1399 CG PHE A 88 -1.963 -17.830 6.744 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -0.671 -18.077 6.262 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -2.189 -17.761 8.127 1.00 0.00 C ATOM 1402 CE1 PHE A 88 0.391 -18.255 7.156 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -1.126 -17.939 9.021 1.00 0.00 C ATOM 1404 CZ PHE A 88 0.164 -18.186 8.535 1.00 0.00 C ATOM 0 H PHE A 88 -1.910 -17.305 3.599 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.693 -19.651 5.105 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -3.052 -16.651 5.317 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -4.062 -17.680 6.313 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.494 -18.130 5.198 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -3.184 -17.570 8.502 1.00 0.00 H new ATOM 0 HE1 PHE A 88 1.386 -18.446 6.781 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -1.301 -17.886 10.085 1.00 0.00 H new ATOM 0 HZ PHE A 88 0.984 -18.323 9.225 1.00 0.00 H new ATOM 1414 N GLU A 89 -4.765 -18.598 2.917 1.00 0.00 N ATOM 1415 CA GLU A 89 -6.135 -18.788 2.338 1.00 0.00 C ATOM 1416 C GLU A 89 -6.172 -20.047 1.460 1.00 0.00 C ATOM 1417 O GLU A 89 -7.225 -20.472 1.030 1.00 0.00 O ATOM 1418 CB GLU A 89 -6.495 -17.561 1.483 1.00 0.00 C ATOM 1419 CG GLU A 89 -7.001 -16.429 2.383 1.00 0.00 C ATOM 1420 CD GLU A 89 -7.088 -15.133 1.575 1.00 0.00 C ATOM 1421 OE1 GLU A 89 -6.362 -15.015 0.601 1.00 0.00 O ATOM 1422 OE2 GLU A 89 -7.879 -14.282 1.943 1.00 0.00 O ATOM 0 H GLU A 89 -4.085 -18.176 2.285 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.853 -18.902 3.150 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.621 -17.229 0.922 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.260 -17.827 0.753 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.980 -16.683 2.789 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.329 -16.297 3.231 1.00 0.00 H new ATOM 1429 N HIS A 90 -5.046 -20.647 1.185 1.00 0.00 N ATOM 1430 CA HIS A 90 -5.067 -21.871 0.333 1.00 0.00 C ATOM 1431 C HIS A 90 -5.870 -22.962 1.041 1.00 0.00 C ATOM 1432 O HIS A 90 -5.388 -23.613 1.948 1.00 0.00 O ATOM 1433 CB HIS A 90 -3.639 -22.370 0.088 1.00 0.00 C ATOM 1434 CG HIS A 90 -2.942 -21.480 -0.910 1.00 0.00 C ATOM 1435 ND1 HIS A 90 -1.604 -21.137 -0.776 1.00 0.00 N ATOM 1436 CD2 HIS A 90 -3.375 -20.858 -2.060 1.00 0.00 C ATOM 1437 CE1 HIS A 90 -1.282 -20.341 -1.812 1.00 0.00 C ATOM 1438 NE2 HIS A 90 -2.324 -20.142 -2.621 1.00 0.00 N ATOM 0 H HIS A 90 -4.125 -20.349 1.507 1.00 0.00 H new ATOM 0 HA HIS A 90 -5.528 -21.631 -0.625 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -3.084 -22.382 1.026 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -3.662 -23.395 -0.282 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -4.375 -20.917 -2.463 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -0.302 -19.916 -1.969 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -2.345 -19.582 -3.473 1.00 0.00 H new ATOM 1447 N GLU A 91 -7.093 -23.165 0.637 1.00 0.00 N ATOM 1448 CA GLU A 91 -7.929 -24.212 1.287 1.00 0.00 C ATOM 1449 C GLU A 91 -7.348 -25.593 0.980 1.00 0.00 C ATOM 1450 O GLU A 91 -6.373 -25.657 0.248 1.00 0.00 O ATOM 1451 CB GLU A 91 -9.362 -24.127 0.754 1.00 0.00 C ATOM 1452 CG GLU A 91 -9.337 -23.992 -0.771 1.00 0.00 C ATOM 1453 CD GLU A 91 -10.752 -24.175 -1.323 1.00 0.00 C ATOM 1454 OE1 GLU A 91 -11.403 -25.130 -0.931 1.00 0.00 O ATOM 1455 OE2 GLU A 91 -11.161 -23.357 -2.132 1.00 0.00 O ATOM 1456 OXT GLU A 91 -7.888 -26.565 1.482 1.00 0.00 O ATOM 0 H GLU A 91 -7.550 -22.651 -0.116 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.935 -24.054 2.365 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.921 -25.018 1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.875 -23.273 1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.949 -23.014 -1.054 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.668 -24.737 -1.202 1.00 0.00 H new TER 1463 GLU A 91 ATOM 1464 N MET B 0 11.677 -1.532 16.522 1.00 0.00 N ATOM 1465 CA MET B 0 10.592 -2.536 16.328 1.00 0.00 C ATOM 1466 C MET B 0 10.232 -2.619 14.842 1.00 0.00 C ATOM 1467 O MET B 0 10.665 -1.812 14.043 1.00 0.00 O ATOM 1468 CB MET B 0 9.355 -2.114 17.128 1.00 0.00 C ATOM 1469 CG MET B 0 9.724 -1.973 18.604 1.00 0.00 C ATOM 1470 SD MET B 0 8.226 -1.642 19.570 1.00 0.00 S ATOM 1471 CE MET B 0 7.931 -3.332 20.152 1.00 0.00 C ATOM 0 H1 MET B 0 12.328 -1.863 17.263 1.00 0.00 H new ATOM 0 H2 MET B 0 12.200 -1.409 15.631 1.00 0.00 H new ATOM 0 H3 MET B 0 11.261 -0.622 16.808 1.00 0.00 H new ATOM 0 HA MET B 0 10.935 -3.511 16.675 1.00 0.00 H new ATOM 0 HB2 MET B 0 8.968 -1.169 16.747 1.00 0.00 H new ATOM 0 HB3 MET B 0 8.563 -2.853 17.010 1.00 0.00 H new ATOM 0 HG2 MET B 0 10.205 -2.885 18.959 1.00 0.00 H new ATOM 0 HG3 MET B 0 10.441 -1.163 18.735 1.00 0.00 H new ATOM 0 HE1 MET B 0 7.038 -3.351 20.776 1.00 0.00 H new ATOM 0 HE2 MET B 0 7.790 -3.992 19.296 1.00 0.00 H new ATOM 0 HE3 MET B 0 8.788 -3.671 20.734 1.00 0.00 H new ATOM 1483 N SER B 1 9.441 -3.590 14.462 1.00 0.00 N ATOM 1484 CA SER B 1 9.054 -3.722 13.025 1.00 0.00 C ATOM 1485 C SER B 1 7.796 -2.887 12.755 1.00 0.00 C ATOM 1486 O SER B 1 6.691 -3.390 12.712 1.00 0.00 O ATOM 1487 CB SER B 1 8.786 -5.193 12.696 1.00 0.00 C ATOM 1488 OG SER B 1 8.101 -5.800 13.784 1.00 0.00 O ATOM 0 H SER B 1 9.047 -4.296 15.084 1.00 0.00 H new ATOM 0 HA SER B 1 9.866 -3.360 12.395 1.00 0.00 H new ATOM 0 HB2 SER B 1 8.190 -5.272 11.787 1.00 0.00 H new ATOM 0 HB3 SER B 1 9.725 -5.712 12.507 1.00 0.00 H new ATOM 0 HG SER B 1 7.290 -5.288 13.986 1.00 0.00 H new ATOM 1494 N GLU B 2 7.973 -1.611 12.568 1.00 0.00 N ATOM 1495 CA GLU B 2 6.807 -0.724 12.292 1.00 0.00 C ATOM 1496 C GLU B 2 5.977 -1.326 11.154 1.00 0.00 C ATOM 1497 O GLU B 2 4.769 -1.182 11.098 1.00 0.00 O ATOM 1498 CB GLU B 2 7.306 0.660 11.867 1.00 0.00 C ATOM 1499 CG GLU B 2 7.896 1.394 13.074 1.00 0.00 C ATOM 1500 CD GLU B 2 8.150 2.857 12.704 1.00 0.00 C ATOM 1501 OE1 GLU B 2 8.740 3.090 11.661 1.00 0.00 O ATOM 1502 OE2 GLU B 2 7.752 3.720 13.469 1.00 0.00 O ATOM 0 H GLU B 2 8.878 -1.141 12.594 1.00 0.00 H new ATOM 0 HA GLU B 2 6.198 -0.633 13.191 1.00 0.00 H new ATOM 0 HB2 GLU B 2 8.060 0.560 11.087 1.00 0.00 H new ATOM 0 HB3 GLU B 2 6.485 1.238 11.444 1.00 0.00 H new ATOM 0 HG2 GLU B 2 7.211 1.335 13.920 1.00 0.00 H new ATOM 0 HG3 GLU B 2 8.827 0.919 13.383 1.00 0.00 H new ATOM 1509 N LEU B 3 6.623 -1.982 10.234 1.00 0.00 N ATOM 1510 CA LEU B 3 5.908 -2.575 9.077 1.00 0.00 C ATOM 1511 C LEU B 3 5.073 -3.795 9.504 1.00 0.00 C ATOM 1512 O LEU B 3 4.146 -4.163 8.827 1.00 0.00 O ATOM 1513 CB LEU B 3 6.973 -2.988 8.030 1.00 0.00 C ATOM 1514 CG LEU B 3 6.698 -2.343 6.658 1.00 0.00 C ATOM 1515 CD1 LEU B 3 5.386 -2.903 6.059 1.00 0.00 C ATOM 1516 CD2 LEU B 3 6.631 -0.797 6.784 1.00 0.00 C ATOM 0 H LEU B 3 7.632 -2.134 10.236 1.00 0.00 H new ATOM 0 HA LEU B 3 5.216 -1.846 8.655 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.962 -2.693 8.380 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.982 -4.073 7.928 1.00 0.00 H new ATOM 0 HG LEU B 3 7.519 -2.591 5.985 1.00 0.00 H new ATOM 0 HD11 LEU B 3 5.202 -2.440 5.090 1.00 0.00 H new ATOM 0 HD12 LEU B 3 5.474 -3.982 5.935 1.00 0.00 H new ATOM 0 HD13 LEU B 3 4.556 -2.682 6.730 1.00 0.00 H new ATOM 0 HD21 LEU B 3 6.436 -0.360 5.805 1.00 0.00 H new ATOM 0 HD22 LEU B 3 5.830 -0.522 7.470 1.00 0.00 H new ATOM 0 HD23 LEU B 3 7.580 -0.422 7.166 1.00 0.00 H new ATOM 1528 N GLU B 4 5.374 -4.422 10.606 1.00 0.00 N ATOM 1529 CA GLU B 4 4.567 -5.609 11.018 1.00 0.00 C ATOM 1530 C GLU B 4 3.184 -5.140 11.459 1.00 0.00 C ATOM 1531 O GLU B 4 2.193 -5.815 11.266 1.00 0.00 O ATOM 1532 CB GLU B 4 5.263 -6.330 12.178 1.00 0.00 C ATOM 1533 CG GLU B 4 4.485 -7.596 12.557 1.00 0.00 C ATOM 1534 CD GLU B 4 4.490 -8.576 11.381 1.00 0.00 C ATOM 1535 OE1 GLU B 4 5.367 -8.459 10.541 1.00 0.00 O ATOM 1536 OE2 GLU B 4 3.615 -9.426 11.339 1.00 0.00 O ATOM 0 H GLU B 4 6.136 -4.169 11.236 1.00 0.00 H new ATOM 0 HA GLU B 4 4.471 -6.298 10.179 1.00 0.00 H new ATOM 0 HB2 GLU B 4 6.282 -6.592 11.894 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.333 -5.666 13.039 1.00 0.00 H new ATOM 0 HG2 GLU B 4 4.935 -8.062 13.433 1.00 0.00 H new ATOM 0 HG3 GLU B 4 3.460 -7.338 12.824 1.00 0.00 H new ATOM 1543 N LYS B 5 3.116 -3.985 12.049 1.00 0.00 N ATOM 1544 CA LYS B 5 1.807 -3.456 12.508 1.00 0.00 C ATOM 1545 C LYS B 5 0.960 -3.073 11.296 1.00 0.00 C ATOM 1546 O LYS B 5 -0.215 -3.372 11.229 1.00 0.00 O ATOM 1547 CB LYS B 5 2.058 -2.221 13.390 1.00 0.00 C ATOM 1548 CG LYS B 5 2.399 -2.666 14.835 1.00 0.00 C ATOM 1549 CD LYS B 5 3.503 -1.772 15.435 1.00 0.00 C ATOM 1550 CE LYS B 5 4.885 -2.303 15.031 1.00 0.00 C ATOM 1551 NZ LYS B 5 5.931 -1.334 15.458 1.00 0.00 N ATOM 0 H LYS B 5 3.916 -3.380 12.235 1.00 0.00 H new ATOM 0 HA LYS B 5 1.274 -4.213 13.083 1.00 0.00 H new ATOM 0 HB2 LYS B 5 2.877 -1.630 12.979 1.00 0.00 H new ATOM 0 HB3 LYS B 5 1.175 -1.582 13.396 1.00 0.00 H new ATOM 0 HG2 LYS B 5 1.505 -2.615 15.457 1.00 0.00 H new ATOM 0 HG3 LYS B 5 2.727 -3.705 14.833 1.00 0.00 H new ATOM 0 HD2 LYS B 5 3.382 -0.747 15.086 1.00 0.00 H new ATOM 0 HD3 LYS B 5 3.415 -1.751 16.521 1.00 0.00 H new ATOM 0 HE2 LYS B 5 5.063 -3.274 15.493 1.00 0.00 H new ATOM 0 HE3 LYS B 5 4.929 -2.450 13.952 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 6.811 -1.521 14.937 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 5.609 -0.365 15.258 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 6.104 -1.437 16.478 1.00 0.00 H new ATOM 1565 N ALA B 6 1.538 -2.397 10.346 1.00 0.00 N ATOM 1566 CA ALA B 6 0.752 -1.979 9.154 1.00 0.00 C ATOM 1567 C ALA B 6 0.087 -3.185 8.492 1.00 0.00 C ATOM 1568 O ALA B 6 -1.113 -3.210 8.312 1.00 0.00 O ATOM 1569 CB ALA B 6 1.677 -1.287 8.152 1.00 0.00 C ATOM 0 H ALA B 6 2.519 -2.116 10.342 1.00 0.00 H new ATOM 0 HA ALA B 6 -0.028 -1.289 9.475 1.00 0.00 H new ATOM 0 HB1 ALA B 6 1.102 -0.980 7.278 1.00 0.00 H new ATOM 0 HB2 ALA B 6 2.126 -0.410 8.617 1.00 0.00 H new ATOM 0 HB3 ALA B 6 2.463 -1.977 7.845 1.00 0.00 H new ATOM 1575 N MET B 7 0.840 -4.180 8.125 1.00 0.00 N ATOM 1576 CA MET B 7 0.211 -5.366 7.470 1.00 0.00 C ATOM 1577 C MET B 7 -0.852 -5.948 8.408 1.00 0.00 C ATOM 1578 O MET B 7 -1.890 -6.404 7.977 1.00 0.00 O ATOM 1579 CB MET B 7 1.272 -6.453 7.143 1.00 0.00 C ATOM 1580 CG MET B 7 2.623 -6.077 7.742 1.00 0.00 C ATOM 1581 SD MET B 7 3.742 -7.497 7.655 1.00 0.00 S ATOM 1582 CE MET B 7 4.466 -7.119 6.039 1.00 0.00 C ATOM 0 H MET B 7 1.852 -4.228 8.246 1.00 0.00 H new ATOM 0 HA MET B 7 -0.247 -5.048 6.533 1.00 0.00 H new ATOM 0 HB2 MET B 7 0.948 -7.416 7.537 1.00 0.00 H new ATOM 0 HB3 MET B 7 1.365 -6.566 6.063 1.00 0.00 H new ATOM 0 HG2 MET B 7 3.049 -5.232 7.202 1.00 0.00 H new ATOM 0 HG3 MET B 7 2.498 -5.763 8.778 1.00 0.00 H new ATOM 0 HE1 MET B 7 4.801 -8.042 5.566 1.00 0.00 H new ATOM 0 HE2 MET B 7 3.718 -6.639 5.408 1.00 0.00 H new ATOM 0 HE3 MET B 7 5.315 -6.448 6.169 1.00 0.00 H new ATOM 1592 N VAL B 8 -0.599 -5.947 9.685 1.00 0.00 N ATOM 1593 CA VAL B 8 -1.603 -6.523 10.627 1.00 0.00 C ATOM 1594 C VAL B 8 -2.848 -5.635 10.648 1.00 0.00 C ATOM 1595 O VAL B 8 -3.953 -6.088 10.426 1.00 0.00 O ATOM 1596 CB VAL B 8 -0.988 -6.616 12.029 1.00 0.00 C ATOM 1597 CG1 VAL B 8 -2.080 -6.899 13.068 1.00 0.00 C ATOM 1598 CG2 VAL B 8 0.037 -7.755 12.052 1.00 0.00 C ATOM 0 H VAL B 8 0.248 -5.578 10.116 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.889 -7.522 10.300 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.503 -5.670 12.271 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -1.631 -6.963 14.059 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.814 -6.093 13.053 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.572 -7.842 12.831 1.00 0.00 H new ATOM 0 HG21 VAL B 8 0.479 -7.827 13.046 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -0.458 -8.695 11.806 1.00 0.00 H new ATOM 0 HG23 VAL B 8 0.820 -7.555 11.321 1.00 0.00 H new ATOM 1608 N ALA B 9 -2.676 -4.376 10.913 1.00 0.00 N ATOM 1609 CA ALA B 9 -3.847 -3.461 10.950 1.00 0.00 C ATOM 1610 C ALA B 9 -4.554 -3.475 9.589 1.00 0.00 C ATOM 1611 O ALA B 9 -5.752 -3.286 9.497 1.00 0.00 O ATOM 1612 CB ALA B 9 -3.371 -2.042 11.268 1.00 0.00 C ATOM 0 H ALA B 9 -1.775 -3.938 11.106 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.544 -3.792 11.720 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -4.228 -1.369 11.296 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.872 -2.034 12.237 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.674 -1.711 10.498 1.00 0.00 H new ATOM 1618 N LEU B 10 -3.822 -3.689 8.529 1.00 0.00 N ATOM 1619 CA LEU B 10 -4.449 -3.702 7.173 1.00 0.00 C ATOM 1620 C LEU B 10 -5.139 -5.050 6.921 1.00 0.00 C ATOM 1621 O LEU B 10 -6.274 -5.097 6.499 1.00 0.00 O ATOM 1622 CB LEU B 10 -3.352 -3.454 6.116 1.00 0.00 C ATOM 1623 CG LEU B 10 -3.184 -1.929 5.852 1.00 0.00 C ATOM 1624 CD1 LEU B 10 -1.709 -1.596 5.592 1.00 0.00 C ATOM 1625 CD2 LEU B 10 -4.014 -1.520 4.625 1.00 0.00 C ATOM 0 H LEU B 10 -2.816 -3.856 8.542 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.203 -2.917 7.108 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.407 -3.876 6.458 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -3.611 -3.963 5.188 1.00 0.00 H new ATOM 0 HG LEU B 10 -3.529 -1.383 6.730 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -1.604 -0.527 5.409 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -1.114 -1.875 6.462 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -1.359 -2.149 4.721 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.894 -0.452 4.444 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.672 -2.077 3.753 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -5.066 -1.741 4.807 1.00 0.00 H new ATOM 1637 N ILE B 11 -4.463 -6.144 7.162 1.00 0.00 N ATOM 1638 CA ILE B 11 -5.078 -7.486 6.919 1.00 0.00 C ATOM 1639 C ILE B 11 -6.499 -7.499 7.493 1.00 0.00 C ATOM 1640 O ILE B 11 -7.400 -8.087 6.929 1.00 0.00 O ATOM 1641 CB ILE B 11 -4.220 -8.562 7.610 1.00 0.00 C ATOM 1642 CG1 ILE B 11 -2.909 -8.781 6.806 1.00 0.00 C ATOM 1643 CG2 ILE B 11 -5.005 -9.881 7.725 1.00 0.00 C ATOM 1644 CD1 ILE B 11 -3.091 -9.867 5.734 1.00 0.00 C ATOM 0 H ILE B 11 -3.507 -6.167 7.518 1.00 0.00 H new ATOM 0 HA ILE B 11 -5.123 -7.692 5.850 1.00 0.00 H new ATOM 0 HB ILE B 11 -3.968 -8.225 8.615 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -2.608 -7.846 6.333 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.106 -9.067 7.485 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.385 -10.632 8.215 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -5.909 -9.717 8.312 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.278 -10.230 6.729 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -2.157 -9.999 5.187 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -3.367 -10.807 6.212 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -3.878 -9.567 5.042 1.00 0.00 H new ATOM 1656 N ASP B 12 -6.707 -6.850 8.605 1.00 0.00 N ATOM 1657 CA ASP B 12 -8.070 -6.825 9.199 1.00 0.00 C ATOM 1658 C ASP B 12 -8.988 -5.990 8.308 1.00 0.00 C ATOM 1659 O ASP B 12 -10.055 -6.418 7.923 1.00 0.00 O ATOM 1660 CB ASP B 12 -8.012 -6.211 10.600 1.00 0.00 C ATOM 1661 CG ASP B 12 -7.256 -7.153 11.540 1.00 0.00 C ATOM 1662 OD1 ASP B 12 -7.849 -8.127 11.974 1.00 0.00 O ATOM 1663 OD2 ASP B 12 -6.099 -6.882 11.811 1.00 0.00 O ATOM 0 H ASP B 12 -5.994 -6.338 9.125 1.00 0.00 H new ATOM 0 HA ASP B 12 -8.456 -7.842 9.273 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -7.515 -5.241 10.563 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -9.021 -6.039 10.975 1.00 0.00 H new ATOM 1668 N VAL B 13 -8.579 -4.802 7.969 1.00 0.00 N ATOM 1669 CA VAL B 13 -9.430 -3.945 7.096 1.00 0.00 C ATOM 1670 C VAL B 13 -9.404 -4.486 5.664 1.00 0.00 C ATOM 1671 O VAL B 13 -10.329 -4.292 4.903 1.00 0.00 O ATOM 1672 CB VAL B 13 -8.920 -2.500 7.138 1.00 0.00 C ATOM 1673 CG1 VAL B 13 -9.875 -1.591 6.358 1.00 0.00 C ATOM 1674 CG2 VAL B 13 -8.852 -2.046 8.600 1.00 0.00 C ATOM 0 H VAL B 13 -7.693 -4.386 8.257 1.00 0.00 H new ATOM 0 HA VAL B 13 -10.459 -3.961 7.456 1.00 0.00 H new ATOM 0 HB VAL B 13 -7.930 -2.442 6.685 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -9.509 -0.565 6.391 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -9.929 -1.924 5.322 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -10.868 -1.636 6.806 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -8.490 -1.019 8.646 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -9.846 -2.101 9.045 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -8.171 -2.695 9.151 1.00 0.00 H new ATOM 1684 N PHE B 14 -8.354 -5.165 5.287 1.00 0.00 N ATOM 1685 CA PHE B 14 -8.301 -5.708 3.897 1.00 0.00 C ATOM 1686 C PHE B 14 -9.310 -6.859 3.753 1.00 0.00 C ATOM 1687 O PHE B 14 -10.013 -6.955 2.768 1.00 0.00 O ATOM 1688 CB PHE B 14 -6.868 -6.208 3.580 1.00 0.00 C ATOM 1689 CG PHE B 14 -6.152 -5.232 2.666 1.00 0.00 C ATOM 1690 CD1 PHE B 14 -6.227 -3.859 2.920 1.00 0.00 C ATOM 1691 CD2 PHE B 14 -5.419 -5.703 1.569 1.00 0.00 C ATOM 1692 CE1 PHE B 14 -5.572 -2.955 2.077 1.00 0.00 C ATOM 1693 CE2 PHE B 14 -4.765 -4.798 0.725 1.00 0.00 C ATOM 1694 CZ PHE B 14 -4.842 -3.425 0.979 1.00 0.00 C ATOM 0 H PHE B 14 -7.542 -5.366 5.870 1.00 0.00 H new ATOM 0 HA PHE B 14 -8.560 -4.919 3.191 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -6.305 -6.327 4.506 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -6.916 -7.189 3.108 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -6.791 -3.496 3.767 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -5.359 -6.764 1.375 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -5.630 -1.895 2.273 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -4.201 -5.160 -0.122 1.00 0.00 H new ATOM 0 HZ PHE B 14 -4.338 -2.727 0.327 1.00 0.00 H new ATOM 1704 N HIS B 15 -9.375 -7.741 4.712 1.00 0.00 N ATOM 1705 CA HIS B 15 -10.324 -8.892 4.602 1.00 0.00 C ATOM 1706 C HIS B 15 -11.755 -8.450 4.943 1.00 0.00 C ATOM 1707 O HIS B 15 -12.705 -8.869 4.314 1.00 0.00 O ATOM 1708 CB HIS B 15 -9.863 -10.020 5.558 1.00 0.00 C ATOM 1709 CG HIS B 15 -9.980 -11.373 4.894 1.00 0.00 C ATOM 1710 ND1 HIS B 15 -10.416 -12.497 5.579 1.00 0.00 N ATOM 1711 CD2 HIS B 15 -9.706 -11.797 3.617 1.00 0.00 C ATOM 1712 CE1 HIS B 15 -10.391 -13.531 4.717 1.00 0.00 C ATOM 1713 NE2 HIS B 15 -9.965 -13.158 3.506 1.00 0.00 N ATOM 0 H HIS B 15 -8.816 -7.718 5.565 1.00 0.00 H new ATOM 0 HA HIS B 15 -10.325 -9.262 3.577 1.00 0.00 H new ATOM 0 HB2 HIS B 15 -8.830 -9.847 5.859 1.00 0.00 H new ATOM 0 HB3 HIS B 15 -10.467 -10.002 6.465 1.00 0.00 H new ATOM 0 HD2 HIS B 15 -9.343 -11.167 2.818 1.00 0.00 H new ATOM 0 HE1 HIS B 15 -10.680 -14.540 4.973 1.00 0.00 H new ATOM 0 HE2 HIS B 15 -9.854 -13.745 2.679 1.00 0.00 H new ATOM 1721 N GLN B 16 -11.925 -7.624 5.938 1.00 0.00 N ATOM 1722 CA GLN B 16 -13.304 -7.194 6.305 1.00 0.00 C ATOM 1723 C GLN B 16 -13.976 -6.501 5.114 1.00 0.00 C ATOM 1724 O GLN B 16 -15.137 -6.725 4.829 1.00 0.00 O ATOM 1725 CB GLN B 16 -13.239 -6.233 7.495 1.00 0.00 C ATOM 1726 CG GLN B 16 -12.750 -6.986 8.739 1.00 0.00 C ATOM 1727 CD GLN B 16 -13.897 -7.802 9.339 1.00 0.00 C ATOM 1728 OE1 GLN B 16 -14.306 -8.798 8.778 1.00 0.00 O ATOM 1729 NE2 GLN B 16 -14.434 -7.420 10.463 1.00 0.00 N ATOM 0 H GLN B 16 -11.176 -7.231 6.509 1.00 0.00 H new ATOM 0 HA GLN B 16 -13.891 -8.071 6.578 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.566 -5.405 7.271 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -14.223 -5.802 7.682 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -11.923 -7.645 8.474 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -12.370 -6.279 9.477 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -14.090 -6.583 10.934 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -15.198 -7.958 10.872 1.00 0.00 H new ATOM 1738 N TYR B 17 -13.261 -5.669 4.407 1.00 0.00 N ATOM 1739 CA TYR B 17 -13.872 -4.972 3.233 1.00 0.00 C ATOM 1740 C TYR B 17 -13.747 -5.858 1.991 1.00 0.00 C ATOM 1741 O TYR B 17 -14.728 -6.183 1.356 1.00 0.00 O ATOM 1742 CB TYR B 17 -13.154 -3.636 2.999 1.00 0.00 C ATOM 1743 CG TYR B 17 -13.658 -2.604 3.987 1.00 0.00 C ATOM 1744 CD1 TYR B 17 -13.105 -2.532 5.271 1.00 0.00 C ATOM 1745 CD2 TYR B 17 -14.681 -1.721 3.615 1.00 0.00 C ATOM 1746 CE1 TYR B 17 -13.575 -1.577 6.184 1.00 0.00 C ATOM 1747 CE2 TYR B 17 -15.148 -0.767 4.528 1.00 0.00 C ATOM 1748 CZ TYR B 17 -14.596 -0.695 5.812 1.00 0.00 C ATOM 1749 OH TYR B 17 -15.056 0.246 6.711 1.00 0.00 O ATOM 0 H TYR B 17 -12.284 -5.440 4.588 1.00 0.00 H new ATOM 0 HA TYR B 17 -14.927 -4.780 3.430 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -12.078 -3.766 3.112 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -13.328 -3.292 1.979 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -12.317 -3.212 5.558 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -15.109 -1.776 2.625 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -13.149 -1.522 7.175 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -15.935 -0.086 4.241 1.00 0.00 H new ATOM 0 HH TYR B 17 -14.330 0.501 7.318 1.00 0.00 H new ATOM 1759 N SER B 18 -12.557 -6.259 1.637 1.00 0.00 N ATOM 1760 CA SER B 18 -12.408 -7.129 0.438 1.00 0.00 C ATOM 1761 C SER B 18 -13.235 -8.400 0.649 1.00 0.00 C ATOM 1762 O SER B 18 -13.685 -9.027 -0.289 1.00 0.00 O ATOM 1763 CB SER B 18 -10.934 -7.493 0.242 1.00 0.00 C ATOM 1764 OG SER B 18 -10.133 -6.345 0.490 1.00 0.00 O ATOM 0 H SER B 18 -11.690 -6.025 2.121 1.00 0.00 H new ATOM 0 HA SER B 18 -12.759 -6.602 -0.449 1.00 0.00 H new ATOM 0 HB2 SER B 18 -10.653 -8.300 0.918 1.00 0.00 H new ATOM 0 HB3 SER B 18 -10.768 -7.855 -0.773 1.00 0.00 H new ATOM 0 HG SER B 18 -9.592 -6.491 1.294 1.00 0.00 H new ATOM 1770 N GLY B 19 -13.438 -8.783 1.885 1.00 0.00 N ATOM 1771 CA GLY B 19 -14.236 -10.010 2.179 1.00 0.00 C ATOM 1772 C GLY B 19 -15.697 -9.626 2.431 1.00 0.00 C ATOM 1773 O GLY B 19 -16.534 -10.472 2.679 1.00 0.00 O ATOM 0 H GLY B 19 -13.083 -8.295 2.707 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -14.172 -10.707 1.343 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -13.828 -10.521 3.051 1.00 0.00 H new ATOM 1777 N ARG B 20 -16.021 -8.363 2.354 1.00 0.00 N ATOM 1778 CA ARG B 20 -17.435 -7.944 2.574 1.00 0.00 C ATOM 1779 C ARG B 20 -18.303 -8.570 1.484 1.00 0.00 C ATOM 1780 O ARG B 20 -19.350 -9.126 1.745 1.00 0.00 O ATOM 1781 CB ARG B 20 -17.522 -6.413 2.493 1.00 0.00 C ATOM 1782 CG ARG B 20 -18.984 -5.941 2.610 1.00 0.00 C ATOM 1783 CD ARG B 20 -19.051 -4.416 2.454 1.00 0.00 C ATOM 1784 NE ARG B 20 -20.285 -3.906 3.116 1.00 0.00 N ATOM 1785 CZ ARG B 20 -20.299 -3.690 4.406 1.00 0.00 C ATOM 1786 NH1 ARG B 20 -19.229 -3.920 5.117 1.00 0.00 N ATOM 1787 NH2 ARG B 20 -21.382 -3.245 4.983 1.00 0.00 N ATOM 0 H ARG B 20 -15.370 -7.605 2.149 1.00 0.00 H new ATOM 0 HA ARG B 20 -17.782 -8.272 3.554 1.00 0.00 H new ATOM 0 HB2 ARG B 20 -16.927 -5.968 3.290 1.00 0.00 H new ATOM 0 HB3 ARG B 20 -17.099 -6.070 1.549 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -19.593 -6.421 1.844 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -19.395 -6.236 3.576 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -18.169 -3.955 2.898 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -19.054 -4.147 1.398 1.00 0.00 H new ATOM 0 HE ARG B 20 -21.122 -3.725 2.561 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -18.383 -4.268 4.667 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -19.239 -3.752 6.123 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -22.219 -3.065 4.428 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -21.392 -3.077 5.989 1.00 0.00 H new ATOM 1801 N GLU B 21 -17.859 -8.486 0.265 1.00 0.00 N ATOM 1802 CA GLU B 21 -18.640 -9.081 -0.858 1.00 0.00 C ATOM 1803 C GLU B 21 -17.705 -9.275 -2.062 1.00 0.00 C ATOM 1804 O GLU B 21 -16.724 -8.573 -2.209 1.00 0.00 O ATOM 1805 CB GLU B 21 -19.847 -8.143 -1.172 1.00 0.00 C ATOM 1806 CG GLU B 21 -19.841 -7.622 -2.620 1.00 0.00 C ATOM 1807 CD GLU B 21 -20.122 -8.775 -3.585 1.00 0.00 C ATOM 1808 OE1 GLU B 21 -20.961 -9.602 -3.263 1.00 0.00 O ATOM 1809 OE2 GLU B 21 -19.492 -8.815 -4.629 1.00 0.00 O ATOM 0 H GLU B 21 -16.988 -8.031 -0.006 1.00 0.00 H new ATOM 0 HA GLU B 21 -19.042 -10.060 -0.598 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -20.777 -8.682 -0.989 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -19.830 -7.296 -0.486 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -20.594 -6.843 -2.739 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -18.876 -7.170 -2.850 1.00 0.00 H new ATOM 1816 N GLY B 22 -18.006 -10.221 -2.921 1.00 0.00 N ATOM 1817 CA GLY B 22 -17.147 -10.471 -4.123 1.00 0.00 C ATOM 1818 C GLY B 22 -16.572 -11.886 -4.050 1.00 0.00 C ATOM 1819 O GLY B 22 -16.952 -12.676 -3.209 1.00 0.00 O ATOM 0 H GLY B 22 -18.816 -10.835 -2.840 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -17.733 -10.351 -5.034 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -16.340 -9.740 -4.165 1.00 0.00 H new ATOM 1823 N ASP B 23 -15.656 -12.209 -4.920 1.00 0.00 N ATOM 1824 CA ASP B 23 -15.051 -13.571 -4.898 1.00 0.00 C ATOM 1825 C ASP B 23 -14.657 -13.929 -3.464 1.00 0.00 C ATOM 1826 O ASP B 23 -15.260 -14.778 -2.837 1.00 0.00 O ATOM 1827 CB ASP B 23 -13.805 -13.588 -5.787 1.00 0.00 C ATOM 1828 CG ASP B 23 -13.241 -15.008 -5.857 1.00 0.00 C ATOM 1829 OD1 ASP B 23 -14.003 -15.914 -6.150 1.00 0.00 O ATOM 1830 OD2 ASP B 23 -12.054 -15.165 -5.618 1.00 0.00 O ATOM 0 H ASP B 23 -15.299 -11.588 -5.646 1.00 0.00 H new ATOM 0 HA ASP B 23 -15.774 -14.297 -5.269 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -14.056 -13.236 -6.788 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -13.053 -12.907 -5.389 1.00 0.00 H new ATOM 1835 N LYS B 24 -13.654 -13.282 -2.938 1.00 0.00 N ATOM 1836 CA LYS B 24 -13.222 -13.579 -1.544 1.00 0.00 C ATOM 1837 C LYS B 24 -12.210 -12.514 -1.098 1.00 0.00 C ATOM 1838 O LYS B 24 -11.835 -12.442 0.053 1.00 0.00 O ATOM 1839 CB LYS B 24 -12.580 -14.984 -1.504 1.00 0.00 C ATOM 1840 CG LYS B 24 -12.900 -15.698 -0.180 1.00 0.00 C ATOM 1841 CD LYS B 24 -12.248 -14.954 0.991 1.00 0.00 C ATOM 1842 CE LYS B 24 -12.137 -15.887 2.201 1.00 0.00 C ATOM 1843 NZ LYS B 24 -13.399 -16.665 2.345 1.00 0.00 N ATOM 0 H LYS B 24 -13.114 -12.559 -3.414 1.00 0.00 H new ATOM 0 HA LYS B 24 -14.077 -13.561 -0.869 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -12.947 -15.579 -2.340 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -11.500 -14.898 -1.623 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -13.979 -15.745 -0.035 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -12.538 -16.725 -0.215 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -11.259 -14.598 0.702 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -12.839 -14.076 1.250 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -11.292 -16.564 2.075 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -11.949 -15.307 3.105 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -13.497 -16.988 3.329 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -14.209 -16.062 2.096 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -13.373 -17.489 1.711 1.00 0.00 H new ATOM 1857 N HIS B 25 -11.757 -11.681 -1.994 1.00 0.00 N ATOM 1858 CA HIS B 25 -10.771 -10.645 -1.581 1.00 0.00 C ATOM 1859 C HIS B 25 -10.589 -9.604 -2.686 1.00 0.00 C ATOM 1860 O HIS B 25 -9.508 -9.427 -3.210 1.00 0.00 O ATOM 1861 CB HIS B 25 -9.429 -11.328 -1.274 1.00 0.00 C ATOM 1862 CG HIS B 25 -8.606 -10.460 -0.360 1.00 0.00 C ATOM 1863 ND1 HIS B 25 -8.056 -10.940 0.822 1.00 0.00 N ATOM 1864 CD2 HIS B 25 -8.241 -9.138 -0.435 1.00 0.00 C ATOM 1865 CE1 HIS B 25 -7.395 -9.921 1.404 1.00 0.00 C ATOM 1866 NE2 HIS B 25 -7.479 -8.804 0.677 1.00 0.00 N ATOM 0 H HIS B 25 -12.022 -11.672 -2.979 1.00 0.00 H new ATOM 0 HA HIS B 25 -11.138 -10.134 -0.691 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -9.603 -12.298 -0.808 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -8.885 -11.513 -2.201 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -8.506 -8.463 -1.235 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -6.864 -9.998 2.341 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -7.069 -7.895 0.893 1.00 0.00 H new ATOM 1874 N LYS B 26 -11.636 -8.901 -3.031 1.00 0.00 N ATOM 1875 CA LYS B 26 -11.537 -7.850 -4.085 1.00 0.00 C ATOM 1876 C LYS B 26 -12.315 -6.628 -3.603 1.00 0.00 C ATOM 1877 O LYS B 26 -13.291 -6.753 -2.891 1.00 0.00 O ATOM 1878 CB LYS B 26 -12.146 -8.375 -5.393 1.00 0.00 C ATOM 1879 CG LYS B 26 -11.645 -7.538 -6.586 1.00 0.00 C ATOM 1880 CD LYS B 26 -10.287 -8.072 -7.087 1.00 0.00 C ATOM 1881 CE LYS B 26 -10.502 -9.225 -8.073 1.00 0.00 C ATOM 1882 NZ LYS B 26 -9.189 -9.637 -8.645 1.00 0.00 N ATOM 0 H LYS B 26 -12.564 -9.012 -2.623 1.00 0.00 H new ATOM 0 HA LYS B 26 -10.495 -7.586 -4.267 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -11.876 -9.421 -5.534 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -13.234 -8.331 -5.340 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -12.376 -7.571 -7.394 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -11.545 -6.494 -6.289 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -9.729 -7.270 -7.570 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -9.688 -8.413 -6.242 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -10.972 -10.068 -7.567 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -11.178 -8.915 -8.870 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -9.332 -10.021 -9.601 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -8.557 -8.812 -8.694 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -8.760 -10.366 -8.040 1.00 0.00 H new ATOM 1896 N LEU B 27 -11.882 -5.445 -3.961 1.00 0.00 N ATOM 1897 CA LEU B 27 -12.594 -4.213 -3.492 1.00 0.00 C ATOM 1898 C LEU B 27 -13.536 -3.681 -4.585 1.00 0.00 C ATOM 1899 O LEU B 27 -13.142 -3.438 -5.708 1.00 0.00 O ATOM 1900 CB LEU B 27 -11.549 -3.123 -3.128 1.00 0.00 C ATOM 1901 CG LEU B 27 -11.526 -2.852 -1.608 1.00 0.00 C ATOM 1902 CD1 LEU B 27 -10.755 -3.965 -0.896 1.00 0.00 C ATOM 1903 CD2 LEU B 27 -10.854 -1.504 -1.347 1.00 0.00 C ATOM 0 H LEU B 27 -11.070 -5.278 -4.555 1.00 0.00 H new ATOM 0 HA LEU B 27 -13.189 -4.464 -2.614 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -10.560 -3.440 -3.458 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -11.782 -2.201 -3.660 1.00 0.00 H new ATOM 0 HG LEU B 27 -12.546 -2.829 -1.225 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -10.741 -3.770 0.176 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -11.241 -4.922 -1.084 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -9.732 -3.997 -1.272 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -10.835 -1.308 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -9.834 -1.526 -1.730 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -11.413 -0.715 -1.850 1.00 0.00 H new ATOM 1915 N LYS B 28 -14.768 -3.455 -4.213 1.00 0.00 N ATOM 1916 CA LYS B 28 -15.772 -2.877 -5.161 1.00 0.00 C ATOM 1917 C LYS B 28 -16.102 -1.458 -4.692 1.00 0.00 C ATOM 1918 O LYS B 28 -15.858 -1.107 -3.556 1.00 0.00 O ATOM 1919 CB LYS B 28 -17.049 -3.734 -5.178 1.00 0.00 C ATOM 1920 CG LYS B 28 -16.706 -5.189 -4.835 1.00 0.00 C ATOM 1921 CD LYS B 28 -17.799 -6.123 -5.367 1.00 0.00 C ATOM 1922 CE LYS B 28 -19.191 -5.620 -4.948 1.00 0.00 C ATOM 1923 NZ LYS B 28 -19.675 -4.604 -5.924 1.00 0.00 N ATOM 0 H LYS B 28 -15.129 -3.649 -3.279 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.364 -2.859 -6.172 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -17.770 -3.342 -4.460 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -17.518 -3.684 -6.161 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -15.743 -5.457 -5.270 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -16.611 -5.304 -3.755 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -17.739 -6.180 -6.454 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -17.641 -7.132 -4.985 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -19.890 -6.455 -4.901 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -19.145 -5.186 -3.949 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -20.686 -4.757 -6.112 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -19.537 -3.651 -5.531 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -19.140 -4.693 -6.812 1.00 0.00 H new ATOM 1937 N LYS B 29 -16.652 -0.639 -5.547 1.00 0.00 N ATOM 1938 CA LYS B 29 -16.989 0.755 -5.124 1.00 0.00 C ATOM 1939 C LYS B 29 -17.712 0.708 -3.772 1.00 0.00 C ATOM 1940 O LYS B 29 -17.446 1.496 -2.887 1.00 0.00 O ATOM 1941 CB LYS B 29 -17.892 1.411 -6.176 1.00 0.00 C ATOM 1942 CG LYS B 29 -17.087 1.679 -7.453 1.00 0.00 C ATOM 1943 CD LYS B 29 -17.867 2.633 -8.365 1.00 0.00 C ATOM 1944 CE LYS B 29 -19.224 2.018 -8.735 1.00 0.00 C ATOM 1945 NZ LYS B 29 -20.218 2.320 -7.665 1.00 0.00 N ATOM 0 H LYS B 29 -16.882 -0.870 -6.513 1.00 0.00 H new ATOM 0 HA LYS B 29 -16.075 1.341 -5.028 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -18.739 0.762 -6.398 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.299 2.345 -5.788 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -16.119 2.112 -7.200 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -16.890 0.742 -7.974 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -18.017 3.588 -7.862 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.292 2.836 -9.269 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -19.568 2.418 -9.689 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -19.124 0.940 -8.859 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -20.438 1.450 -7.140 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -19.822 3.027 -7.013 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -21.088 2.695 -8.095 1.00 0.00 H new ATOM 1959 N SER B 30 -18.611 -0.222 -3.605 1.00 0.00 N ATOM 1960 CA SER B 30 -19.335 -0.330 -2.308 1.00 0.00 C ATOM 1961 C SER B 30 -18.312 -0.431 -1.171 1.00 0.00 C ATOM 1962 O SER B 30 -18.618 -0.172 -0.030 1.00 0.00 O ATOM 1963 CB SER B 30 -20.232 -1.580 -2.325 1.00 0.00 C ATOM 1964 OG SER B 30 -19.665 -2.547 -3.202 1.00 0.00 O ATOM 0 H SER B 30 -18.875 -0.911 -4.309 1.00 0.00 H new ATOM 0 HA SER B 30 -19.959 0.551 -2.155 1.00 0.00 H new ATOM 0 HB2 SER B 30 -20.323 -1.991 -1.320 1.00 0.00 H new ATOM 0 HB3 SER B 30 -21.237 -1.317 -2.654 1.00 0.00 H new ATOM 0 HG SER B 30 -20.231 -3.347 -3.216 1.00 0.00 H new ATOM 1970 N GLU B 31 -17.093 -0.783 -1.482 1.00 0.00 N ATOM 1971 CA GLU B 31 -16.039 -0.883 -0.425 1.00 0.00 C ATOM 1972 C GLU B 31 -15.194 0.376 -0.461 1.00 0.00 C ATOM 1973 O GLU B 31 -14.752 0.860 0.553 1.00 0.00 O ATOM 1974 CB GLU B 31 -15.150 -2.096 -0.696 1.00 0.00 C ATOM 1975 CG GLU B 31 -15.991 -3.372 -0.632 1.00 0.00 C ATOM 1976 CD GLU B 31 -15.085 -4.588 -0.834 1.00 0.00 C ATOM 1977 OE1 GLU B 31 -13.952 -4.537 -0.383 1.00 0.00 O ATOM 1978 OE2 GLU B 31 -15.537 -5.546 -1.440 1.00 0.00 O ATOM 0 H GLU B 31 -16.779 -1.007 -2.426 1.00 0.00 H new ATOM 0 HA GLU B 31 -16.507 -0.994 0.553 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -14.682 -2.005 -1.676 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -14.345 -2.141 0.038 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -16.498 -3.438 0.330 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -16.765 -3.350 -1.399 1.00 0.00 H new ATOM 1985 N LEU B 32 -14.969 0.911 -1.623 1.00 0.00 N ATOM 1986 CA LEU B 32 -14.146 2.142 -1.722 1.00 0.00 C ATOM 1987 C LEU B 32 -14.904 3.310 -1.092 1.00 0.00 C ATOM 1988 O LEU B 32 -14.411 3.968 -0.201 1.00 0.00 O ATOM 1989 CB LEU B 32 -13.829 2.418 -3.215 1.00 0.00 C ATOM 1990 CG LEU B 32 -12.347 2.771 -3.405 1.00 0.00 C ATOM 1991 CD1 LEU B 32 -12.009 2.773 -4.896 1.00 0.00 C ATOM 1992 CD2 LEU B 32 -12.076 4.158 -2.818 1.00 0.00 C ATOM 0 H LEU B 32 -15.320 0.549 -2.510 1.00 0.00 H new ATOM 0 HA LEU B 32 -13.206 2.017 -1.185 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -14.077 1.540 -3.812 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -14.451 3.236 -3.578 1.00 0.00 H new ATOM 0 HG LEU B 32 -11.729 2.032 -2.895 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -10.957 3.024 -5.030 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -12.203 1.785 -5.314 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -12.626 3.511 -5.408 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -11.024 4.411 -2.952 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -12.694 4.896 -3.329 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -12.316 4.156 -1.755 1.00 0.00 H new ATOM 2004 N LYS B 33 -16.089 3.575 -1.538 1.00 0.00 N ATOM 2005 CA LYS B 33 -16.852 4.694 -0.959 1.00 0.00 C ATOM 2006 C LYS B 33 -17.242 4.362 0.490 1.00 0.00 C ATOM 2007 O LYS B 33 -17.312 5.233 1.334 1.00 0.00 O ATOM 2008 CB LYS B 33 -18.081 4.887 -1.830 1.00 0.00 C ATOM 2009 CG LYS B 33 -18.967 6.001 -1.276 1.00 0.00 C ATOM 2010 CD LYS B 33 -20.169 6.202 -2.217 1.00 0.00 C ATOM 2011 CE LYS B 33 -21.321 5.275 -1.816 1.00 0.00 C ATOM 2012 NZ LYS B 33 -22.406 5.371 -2.834 1.00 0.00 N ATOM 0 H LYS B 33 -16.562 3.062 -2.282 1.00 0.00 H new ATOM 0 HA LYS B 33 -16.263 5.611 -0.933 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -17.777 5.130 -2.848 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -18.647 3.957 -1.880 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -19.312 5.744 -0.274 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -18.398 6.927 -1.190 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -20.499 7.240 -2.179 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -19.872 5.999 -3.246 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -20.967 4.247 -1.741 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -21.702 5.553 -0.834 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -23.190 4.743 -2.566 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -22.749 6.351 -2.884 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -22.036 5.085 -3.763 1.00 0.00 H new ATOM 2026 N GLU B 34 -17.504 3.115 0.785 1.00 0.00 N ATOM 2027 CA GLU B 34 -17.897 2.759 2.187 1.00 0.00 C ATOM 2028 C GLU B 34 -16.657 2.729 3.081 1.00 0.00 C ATOM 2029 O GLU B 34 -16.713 3.066 4.247 1.00 0.00 O ATOM 2030 CB GLU B 34 -18.580 1.396 2.221 1.00 0.00 C ATOM 2031 CG GLU B 34 -19.167 1.158 3.612 1.00 0.00 C ATOM 2032 CD GLU B 34 -19.797 -0.234 3.665 1.00 0.00 C ATOM 2033 OE1 GLU B 34 -19.117 -1.182 3.312 1.00 0.00 O ATOM 2034 OE2 GLU B 34 -20.949 -0.326 4.056 1.00 0.00 O ATOM 0 H GLU B 34 -17.465 2.336 0.128 1.00 0.00 H new ATOM 0 HA GLU B 34 -18.594 3.513 2.553 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -19.368 1.353 1.469 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -17.864 0.612 1.977 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -18.387 1.245 4.368 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -19.916 1.917 3.838 1.00 0.00 H new ATOM 2041 N LEU B 35 -15.536 2.348 2.544 1.00 0.00 N ATOM 2042 CA LEU B 35 -14.296 2.323 3.364 1.00 0.00 C ATOM 2043 C LEU B 35 -13.898 3.767 3.656 1.00 0.00 C ATOM 2044 O LEU B 35 -13.407 4.101 4.716 1.00 0.00 O ATOM 2045 CB LEU B 35 -13.186 1.624 2.570 1.00 0.00 C ATOM 2046 CG LEU B 35 -11.827 1.784 3.272 1.00 0.00 C ATOM 2047 CD1 LEU B 35 -11.922 1.351 4.739 1.00 0.00 C ATOM 2048 CD2 LEU B 35 -10.793 0.911 2.557 1.00 0.00 C ATOM 0 H LEU B 35 -15.424 2.053 1.574 1.00 0.00 H new ATOM 0 HA LEU B 35 -14.456 1.784 4.298 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -13.422 0.565 2.462 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -13.133 2.043 1.565 1.00 0.00 H new ATOM 0 HG LEU B 35 -11.531 2.832 3.235 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -10.950 1.472 5.218 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -12.659 1.968 5.253 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -12.224 0.305 4.791 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -9.825 1.017 3.047 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -11.107 -0.132 2.597 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -10.709 1.225 1.517 1.00 0.00 H new ATOM 2060 N ILE B 36 -14.119 4.625 2.709 1.00 0.00 N ATOM 2061 CA ILE B 36 -13.767 6.053 2.890 1.00 0.00 C ATOM 2062 C ILE B 36 -14.693 6.704 3.927 1.00 0.00 C ATOM 2063 O ILE B 36 -14.263 7.502 4.736 1.00 0.00 O ATOM 2064 CB ILE B 36 -13.881 6.752 1.534 1.00 0.00 C ATOM 2065 CG1 ILE B 36 -12.735 6.270 0.636 1.00 0.00 C ATOM 2066 CG2 ILE B 36 -13.772 8.264 1.717 1.00 0.00 C ATOM 2067 CD1 ILE B 36 -13.016 6.663 -0.813 1.00 0.00 C ATOM 0 H ILE B 36 -14.534 4.395 1.806 1.00 0.00 H new ATOM 0 HA ILE B 36 -12.746 6.145 3.261 1.00 0.00 H new ATOM 0 HB ILE B 36 -14.844 6.516 1.081 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -11.793 6.708 0.966 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -12.628 5.188 0.715 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -13.854 8.755 0.747 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -14.575 8.610 2.368 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -12.809 8.508 2.167 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -12.200 6.319 -1.448 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -13.949 6.204 -1.140 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -13.100 7.747 -0.886 1.00 0.00 H new ATOM 2079 N ASN B 37 -15.957 6.381 3.908 1.00 0.00 N ATOM 2080 CA ASN B 37 -16.902 6.998 4.889 1.00 0.00 C ATOM 2081 C ASN B 37 -16.860 6.273 6.245 1.00 0.00 C ATOM 2082 O ASN B 37 -17.235 6.832 7.257 1.00 0.00 O ATOM 2083 CB ASN B 37 -18.326 6.928 4.335 1.00 0.00 C ATOM 2084 CG ASN B 37 -18.473 7.917 3.179 1.00 0.00 C ATOM 2085 OD1 ASN B 37 -18.340 9.110 3.365 1.00 0.00 O ATOM 2086 ND2 ASN B 37 -18.744 7.469 1.985 1.00 0.00 N ATOM 0 H ASN B 37 -16.378 5.718 3.258 1.00 0.00 H new ATOM 0 HA ASN B 37 -16.599 8.034 5.041 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -18.545 5.917 3.992 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -19.045 7.161 5.120 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -18.844 8.120 1.207 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -18.856 6.467 1.829 1.00 0.00 H new ATOM 2093 N ASN B 38 -16.468 5.023 6.277 1.00 0.00 N ATOM 2094 CA ASN B 38 -16.484 4.279 7.586 1.00 0.00 C ATOM 2095 C ASN B 38 -15.149 4.389 8.342 1.00 0.00 C ATOM 2096 O ASN B 38 -15.145 4.605 9.537 1.00 0.00 O ATOM 2097 CB ASN B 38 -16.787 2.802 7.319 1.00 0.00 C ATOM 2098 CG ASN B 38 -18.261 2.640 6.939 1.00 0.00 C ATOM 2099 OD1 ASN B 38 -18.684 3.090 5.893 1.00 0.00 O ATOM 2100 ND2 ASN B 38 -19.067 2.008 7.751 1.00 0.00 N ATOM 0 H ASN B 38 -16.142 4.489 5.472 1.00 0.00 H new ATOM 0 HA ASN B 38 -17.254 4.731 8.211 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -16.151 2.429 6.516 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -16.562 2.208 8.205 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -20.050 1.893 7.506 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -18.712 1.630 8.629 1.00 0.00 H new ATOM 2107 N GLU B 39 -14.026 4.217 7.686 1.00 0.00 N ATOM 2108 CA GLU B 39 -12.705 4.288 8.411 1.00 0.00 C ATOM 2109 C GLU B 39 -11.941 5.547 7.998 1.00 0.00 C ATOM 2110 O GLU B 39 -11.637 6.391 8.816 1.00 0.00 O ATOM 2111 CB GLU B 39 -11.879 3.031 8.073 1.00 0.00 C ATOM 2112 CG GLU B 39 -10.899 2.722 9.212 1.00 0.00 C ATOM 2113 CD GLU B 39 -10.242 1.365 8.965 1.00 0.00 C ATOM 2114 OE1 GLU B 39 -10.651 0.689 8.036 1.00 0.00 O ATOM 2115 OE2 GLU B 39 -9.342 1.027 9.716 1.00 0.00 O ATOM 0 H GLU B 39 -13.961 4.031 6.685 1.00 0.00 H new ATOM 0 HA GLU B 39 -12.882 4.332 9.486 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -12.543 2.182 7.914 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -11.331 3.185 7.143 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -10.138 3.500 9.273 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -11.425 2.715 10.167 1.00 0.00 H new ATOM 2122 N LEU B 40 -11.630 5.689 6.743 1.00 0.00 N ATOM 2123 CA LEU B 40 -10.892 6.905 6.298 1.00 0.00 C ATOM 2124 C LEU B 40 -11.853 8.107 6.362 1.00 0.00 C ATOM 2125 O LEU B 40 -11.727 9.060 5.618 1.00 0.00 O ATOM 2126 CB LEU B 40 -10.386 6.670 4.852 1.00 0.00 C ATOM 2127 CG LEU B 40 -8.866 6.406 4.803 1.00 0.00 C ATOM 2128 CD1 LEU B 40 -8.074 7.555 5.474 1.00 0.00 C ATOM 2129 CD2 LEU B 40 -8.549 5.060 5.481 1.00 0.00 C ATOM 0 H LEU B 40 -11.853 5.020 6.006 1.00 0.00 H new ATOM 0 HA LEU B 40 -10.034 7.107 6.939 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -10.915 5.822 4.417 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -10.622 7.541 4.240 1.00 0.00 H new ATOM 0 HG LEU B 40 -8.557 6.361 3.759 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -7.007 7.339 5.423 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -8.280 8.491 4.955 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -8.377 7.645 6.517 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -7.475 4.878 5.444 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.876 5.090 6.520 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -9.071 4.258 4.959 1.00 0.00 H new ATOM 2141 N SER B 41 -12.815 8.063 7.252 1.00 0.00 N ATOM 2142 CA SER B 41 -13.791 9.183 7.381 1.00 0.00 C ATOM 2143 C SER B 41 -13.248 10.247 8.349 1.00 0.00 C ATOM 2144 O SER B 41 -13.720 11.366 8.375 1.00 0.00 O ATOM 2145 CB SER B 41 -15.122 8.618 7.905 1.00 0.00 C ATOM 2146 OG SER B 41 -16.186 9.088 7.088 1.00 0.00 O ATOM 0 H SER B 41 -12.964 7.289 7.900 1.00 0.00 H new ATOM 0 HA SER B 41 -13.947 9.652 6.409 1.00 0.00 H new ATOM 0 HB2 SER B 41 -15.096 7.528 7.897 1.00 0.00 H new ATOM 0 HB3 SER B 41 -15.279 8.925 8.939 1.00 0.00 H new ATOM 0 HG SER B 41 -16.987 8.548 7.251 1.00 0.00 H new ATOM 2152 N HIS B 42 -12.268 9.912 9.147 1.00 0.00 N ATOM 2153 CA HIS B 42 -11.713 10.911 10.109 1.00 0.00 C ATOM 2154 C HIS B 42 -10.575 11.688 9.443 1.00 0.00 C ATOM 2155 O HIS B 42 -10.302 12.820 9.792 1.00 0.00 O ATOM 2156 CB HIS B 42 -11.189 10.178 11.351 1.00 0.00 C ATOM 2157 CG HIS B 42 -10.504 8.905 10.935 1.00 0.00 C ATOM 2158 ND1 HIS B 42 -9.545 8.873 9.931 1.00 0.00 N ATOM 2159 CD2 HIS B 42 -10.627 7.610 11.376 1.00 0.00 C ATOM 2160 CE1 HIS B 42 -9.135 7.598 9.801 1.00 0.00 C ATOM 2161 NE2 HIS B 42 -9.762 6.791 10.657 1.00 0.00 N ATOM 0 H HIS B 42 -11.828 8.992 9.175 1.00 0.00 H new ATOM 0 HA HIS B 42 -12.495 11.611 10.404 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -10.493 10.816 11.895 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -12.013 9.955 12.028 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -11.292 7.279 12.160 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -8.390 7.269 9.091 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -9.634 5.785 10.763 1.00 0.00 H new ATOM 2170 N PHE B 43 -9.910 11.089 8.484 1.00 0.00 N ATOM 2171 CA PHE B 43 -8.784 11.788 7.780 1.00 0.00 C ATOM 2172 C PHE B 43 -9.249 12.178 6.373 1.00 0.00 C ATOM 2173 O PHE B 43 -9.055 13.296 5.938 1.00 0.00 O ATOM 2174 CB PHE B 43 -7.562 10.837 7.703 1.00 0.00 C ATOM 2175 CG PHE B 43 -6.540 11.207 8.760 1.00 0.00 C ATOM 2176 CD1 PHE B 43 -6.679 10.734 10.071 1.00 0.00 C ATOM 2177 CD2 PHE B 43 -5.455 12.025 8.423 1.00 0.00 C ATOM 2178 CE1 PHE B 43 -5.733 11.082 11.044 1.00 0.00 C ATOM 2179 CE2 PHE B 43 -4.510 12.374 9.396 1.00 0.00 C ATOM 2180 CZ PHE B 43 -4.650 11.902 10.706 1.00 0.00 C ATOM 0 H PHE B 43 -10.098 10.142 8.156 1.00 0.00 H new ATOM 0 HA PHE B 43 -8.494 12.687 8.324 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -7.885 9.806 7.845 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -7.109 10.895 6.713 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -7.515 10.102 10.332 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -5.347 12.387 7.411 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -5.839 10.718 12.055 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -3.674 13.007 9.136 1.00 0.00 H new ATOM 0 HZ PHE B 43 -3.922 12.171 11.457 1.00 0.00 H new ATOM 2190 N LEU B 44 -9.864 11.274 5.655 1.00 0.00 N ATOM 2191 CA LEU B 44 -10.338 11.614 4.280 1.00 0.00 C ATOM 2192 C LEU B 44 -11.742 12.226 4.378 1.00 0.00 C ATOM 2193 O LEU B 44 -12.591 11.743 5.100 1.00 0.00 O ATOM 2194 CB LEU B 44 -10.356 10.333 3.412 1.00 0.00 C ATOM 2195 CG LEU B 44 -10.001 10.653 1.944 1.00 0.00 C ATOM 2196 CD1 LEU B 44 -8.564 11.224 1.839 1.00 0.00 C ATOM 2197 CD2 LEU B 44 -10.111 9.363 1.116 1.00 0.00 C ATOM 0 H LEU B 44 -10.058 10.320 5.959 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.668 12.336 3.814 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.646 9.609 3.812 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.342 9.872 3.459 1.00 0.00 H new ATOM 0 HG LEU B 44 -10.693 11.404 1.563 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -8.335 11.442 0.796 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -8.493 12.140 2.426 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -7.853 10.492 2.221 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.863 9.576 0.076 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -9.419 8.618 1.509 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -11.129 8.979 1.174 1.00 0.00 H new ATOM 2209 N GLU B 45 -11.982 13.296 3.670 1.00 0.00 N ATOM 2210 CA GLU B 45 -13.319 13.954 3.732 1.00 0.00 C ATOM 2211 C GLU B 45 -14.425 12.920 3.517 1.00 0.00 C ATOM 2212 O GLU B 45 -14.342 12.081 2.645 1.00 0.00 O ATOM 2213 CB GLU B 45 -13.408 15.026 2.645 1.00 0.00 C ATOM 2214 CG GLU B 45 -12.552 16.229 3.047 1.00 0.00 C ATOM 2215 CD GLU B 45 -12.644 17.306 1.965 1.00 0.00 C ATOM 2216 OE1 GLU B 45 -13.532 17.208 1.134 1.00 0.00 O ATOM 2217 OE2 GLU B 45 -11.824 18.210 1.986 1.00 0.00 O ATOM 0 H GLU B 45 -11.308 13.744 3.049 1.00 0.00 H new ATOM 0 HA GLU B 45 -13.445 14.412 4.713 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -13.064 14.623 1.692 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -14.444 15.333 2.506 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -12.893 16.628 4.002 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -11.515 15.922 3.182 1.00 0.00 H new ATOM 2224 N GLU B 46 -15.457 12.976 4.317 1.00 0.00 N ATOM 2225 CA GLU B 46 -16.574 11.998 4.175 1.00 0.00 C ATOM 2226 C GLU B 46 -17.107 12.022 2.739 1.00 0.00 C ATOM 2227 O GLU B 46 -18.093 12.667 2.445 1.00 0.00 O ATOM 2228 CB GLU B 46 -17.707 12.368 5.139 1.00 0.00 C ATOM 2229 CG GLU B 46 -17.178 12.406 6.579 1.00 0.00 C ATOM 2230 CD GLU B 46 -16.468 13.739 6.837 1.00 0.00 C ATOM 2231 OE1 GLU B 46 -17.072 14.767 6.584 1.00 0.00 O ATOM 2232 OE2 GLU B 46 -15.332 13.706 7.283 1.00 0.00 O ATOM 0 H GLU B 46 -15.574 13.660 5.065 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.204 11.000 4.408 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -18.123 13.339 4.870 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -18.516 11.642 5.059 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -18.002 12.280 7.282 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -16.488 11.578 6.745 1.00 0.00 H new ATOM 2239 N ILE B 47 -16.468 11.319 1.845 1.00 0.00 N ATOM 2240 CA ILE B 47 -16.942 11.299 0.432 1.00 0.00 C ATOM 2241 C ILE B 47 -18.380 10.765 0.396 1.00 0.00 C ATOM 2242 O ILE B 47 -18.667 9.693 0.890 1.00 0.00 O ATOM 2243 CB ILE B 47 -15.988 10.406 -0.398 1.00 0.00 C ATOM 2244 CG1 ILE B 47 -14.779 11.253 -0.852 1.00 0.00 C ATOM 2245 CG2 ILE B 47 -16.709 9.816 -1.623 1.00 0.00 C ATOM 2246 CD1 ILE B 47 -13.745 10.407 -1.616 1.00 0.00 C ATOM 0 H ILE B 47 -15.637 10.757 2.032 1.00 0.00 H new ATOM 0 HA ILE B 47 -16.939 12.302 0.005 1.00 0.00 H new ATOM 0 HB ILE B 47 -15.650 9.576 0.222 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -15.124 12.068 -1.489 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -14.306 11.707 0.018 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -16.016 9.193 -2.188 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -17.553 9.211 -1.292 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -17.070 10.625 -2.258 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -12.910 11.039 -1.918 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -13.380 9.608 -0.971 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -14.211 9.974 -2.501 1.00 0.00 H new ATOM 2258 N LYS B 48 -19.282 11.513 -0.194 1.00 0.00 N ATOM 2259 CA LYS B 48 -20.711 11.074 -0.284 1.00 0.00 C ATOM 2260 C LYS B 48 -21.078 10.866 -1.754 1.00 0.00 C ATOM 2261 O LYS B 48 -22.075 10.251 -2.075 1.00 0.00 O ATOM 2262 CB LYS B 48 -21.614 12.157 0.309 1.00 0.00 C ATOM 2263 CG LYS B 48 -21.454 12.189 1.830 1.00 0.00 C ATOM 2264 CD LYS B 48 -22.147 13.435 2.387 1.00 0.00 C ATOM 2265 CE LYS B 48 -21.930 13.509 3.899 1.00 0.00 C ATOM 2266 NZ LYS B 48 -22.497 12.290 4.543 1.00 0.00 N ATOM 0 H LYS B 48 -19.087 12.418 -0.621 1.00 0.00 H new ATOM 0 HA LYS B 48 -20.844 10.144 0.268 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -21.358 13.129 -0.113 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -22.654 11.960 0.048 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -21.886 11.291 2.271 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -20.397 12.198 2.096 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -21.749 14.330 1.908 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -23.213 13.401 2.164 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -20.866 13.589 4.121 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -22.408 14.402 4.302 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -22.646 12.470 5.556 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -23.406 12.052 4.097 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -21.836 11.496 4.426 1.00 0.00 H new ATOM 2280 N GLU B 49 -20.271 11.374 -2.651 1.00 0.00 N ATOM 2281 CA GLU B 49 -20.549 11.214 -4.112 1.00 0.00 C ATOM 2282 C GLU B 49 -19.594 10.170 -4.692 1.00 0.00 C ATOM 2283 O GLU B 49 -18.484 10.006 -4.225 1.00 0.00 O ATOM 2284 CB GLU B 49 -20.322 12.553 -4.820 1.00 0.00 C ATOM 2285 CG GLU B 49 -21.205 13.627 -4.178 1.00 0.00 C ATOM 2286 CD GLU B 49 -22.678 13.253 -4.358 1.00 0.00 C ATOM 2287 OE1 GLU B 49 -23.234 13.590 -5.391 1.00 0.00 O ATOM 2288 OE2 GLU B 49 -23.225 12.638 -3.459 1.00 0.00 O ATOM 0 H GLU B 49 -19.424 11.898 -2.432 1.00 0.00 H new ATOM 0 HA GLU B 49 -21.580 10.893 -4.257 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -19.273 12.840 -4.750 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -20.557 12.460 -5.880 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -20.970 13.720 -3.118 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -21.007 14.597 -4.635 1.00 0.00 H new ATOM 2295 N GLN B 50 -20.012 9.461 -5.705 1.00 0.00 N ATOM 2296 CA GLN B 50 -19.121 8.427 -6.310 1.00 0.00 C ATOM 2297 C GLN B 50 -18.230 9.079 -7.370 1.00 0.00 C ATOM 2298 O GLN B 50 -17.158 8.595 -7.674 1.00 0.00 O ATOM 2299 CB GLN B 50 -19.979 7.336 -6.964 1.00 0.00 C ATOM 2300 CG GLN B 50 -21.223 7.088 -6.113 1.00 0.00 C ATOM 2301 CD GLN B 50 -21.953 5.846 -6.623 1.00 0.00 C ATOM 2302 OE1 GLN B 50 -21.328 4.891 -7.043 1.00 0.00 O ATOM 2303 NE2 GLN B 50 -23.256 5.816 -6.605 1.00 0.00 N ATOM 0 H GLN B 50 -20.930 9.552 -6.140 1.00 0.00 H new ATOM 0 HA GLN B 50 -18.497 7.984 -5.534 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -20.268 7.640 -7.970 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -19.403 6.416 -7.062 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -20.941 6.953 -5.069 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -21.884 7.954 -6.156 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -23.780 6.617 -6.253 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -23.752 4.991 -6.943 1.00 0.00 H new ATOM 2312 N GLU B 51 -18.681 10.159 -7.950 1.00 0.00 N ATOM 2313 CA GLU B 51 -17.888 10.840 -9.012 1.00 0.00 C ATOM 2314 C GLU B 51 -16.415 10.891 -8.639 1.00 0.00 C ATOM 2315 O GLU B 51 -15.553 10.695 -9.472 1.00 0.00 O ATOM 2316 CB GLU B 51 -18.421 12.259 -9.224 1.00 0.00 C ATOM 2317 CG GLU B 51 -19.831 12.192 -9.815 1.00 0.00 C ATOM 2318 CD GLU B 51 -19.758 11.666 -11.249 1.00 0.00 C ATOM 2319 OE1 GLU B 51 -19.150 12.328 -12.072 1.00 0.00 O ATOM 2320 OE2 GLU B 51 -20.310 10.607 -11.499 1.00 0.00 O ATOM 0 H GLU B 51 -19.573 10.602 -7.731 1.00 0.00 H new ATOM 0 HA GLU B 51 -17.988 10.272 -9.937 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -18.438 12.798 -8.277 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -17.761 12.811 -9.893 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -20.460 11.540 -9.209 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -20.290 13.181 -9.802 1.00 0.00 H new ATOM 2327 N VAL B 52 -16.103 11.128 -7.404 1.00 0.00 N ATOM 2328 CA VAL B 52 -14.671 11.150 -7.019 1.00 0.00 C ATOM 2329 C VAL B 52 -14.184 9.717 -6.974 1.00 0.00 C ATOM 2330 O VAL B 52 -13.086 9.405 -7.390 1.00 0.00 O ATOM 2331 CB VAL B 52 -14.498 11.820 -5.653 1.00 0.00 C ATOM 2332 CG1 VAL B 52 -15.391 11.134 -4.614 1.00 0.00 C ATOM 2333 CG2 VAL B 52 -13.035 11.716 -5.213 1.00 0.00 C ATOM 0 H VAL B 52 -16.767 11.306 -6.651 1.00 0.00 H new ATOM 0 HA VAL B 52 -14.091 11.722 -7.743 1.00 0.00 H new ATOM 0 HB VAL B 52 -14.784 12.869 -5.734 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -15.261 11.618 -3.646 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -16.434 11.213 -4.922 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -15.115 10.083 -4.534 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -12.913 12.193 -4.241 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -12.751 10.666 -5.140 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -12.399 12.214 -5.944 1.00 0.00 H new ATOM 2343 N VAL B 53 -15.004 8.832 -6.499 1.00 0.00 N ATOM 2344 CA VAL B 53 -14.599 7.410 -6.457 1.00 0.00 C ATOM 2345 C VAL B 53 -14.483 6.947 -7.906 1.00 0.00 C ATOM 2346 O VAL B 53 -13.772 6.017 -8.224 1.00 0.00 O ATOM 2347 CB VAL B 53 -15.646 6.595 -5.641 1.00 0.00 C ATOM 2348 CG1 VAL B 53 -16.495 5.685 -6.540 1.00 0.00 C ATOM 2349 CG2 VAL B 53 -14.944 5.727 -4.592 1.00 0.00 C ATOM 0 H VAL B 53 -15.937 9.032 -6.138 1.00 0.00 H new ATOM 0 HA VAL B 53 -13.642 7.262 -5.957 1.00 0.00 H new ATOM 0 HB VAL B 53 -16.303 7.319 -5.158 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -17.211 5.136 -5.929 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -17.031 6.292 -7.270 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -15.846 4.980 -7.060 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -15.688 5.163 -4.029 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -14.264 5.035 -5.088 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -14.380 6.364 -3.911 1.00 0.00 H new ATOM 2359 N ASP B 54 -15.175 7.617 -8.787 1.00 0.00 N ATOM 2360 CA ASP B 54 -15.105 7.246 -10.224 1.00 0.00 C ATOM 2361 C ASP B 54 -13.795 7.785 -10.791 1.00 0.00 C ATOM 2362 O ASP B 54 -13.165 7.168 -11.626 1.00 0.00 O ATOM 2363 CB ASP B 54 -16.291 7.857 -10.975 1.00 0.00 C ATOM 2364 CG ASP B 54 -17.593 7.253 -10.446 1.00 0.00 C ATOM 2365 OD1 ASP B 54 -17.543 6.152 -9.920 1.00 0.00 O ATOM 2366 OD2 ASP B 54 -18.619 7.900 -10.575 1.00 0.00 O ATOM 0 H ASP B 54 -15.785 8.405 -8.571 1.00 0.00 H new ATOM 0 HA ASP B 54 -15.145 6.163 -10.338 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -16.300 8.939 -10.844 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -16.196 7.666 -12.044 1.00 0.00 H new ATOM 2371 N LYS B 55 -13.373 8.932 -10.326 1.00 0.00 N ATOM 2372 CA LYS B 55 -12.092 9.513 -10.822 1.00 0.00 C ATOM 2373 C LYS B 55 -10.924 8.869 -10.075 1.00 0.00 C ATOM 2374 O LYS B 55 -9.932 8.498 -10.662 1.00 0.00 O ATOM 2375 CB LYS B 55 -12.080 11.029 -10.590 1.00 0.00 C ATOM 2376 CG LYS B 55 -10.722 11.638 -11.030 1.00 0.00 C ATOM 2377 CD LYS B 55 -9.797 11.842 -9.811 1.00 0.00 C ATOM 2378 CE LYS B 55 -10.100 13.187 -9.144 1.00 0.00 C ATOM 2379 NZ LYS B 55 -9.862 14.285 -10.121 1.00 0.00 N ATOM 0 H LYS B 55 -13.860 9.490 -9.625 1.00 0.00 H new ATOM 0 HA LYS B 55 -11.996 9.318 -11.890 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.892 11.494 -11.149 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -12.256 11.242 -9.536 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -10.240 10.980 -11.753 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -10.890 12.592 -11.529 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -9.940 11.032 -9.096 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -8.754 11.809 -10.126 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -11.133 13.210 -8.798 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -9.467 13.322 -8.267 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -9.501 15.122 -9.621 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -9.164 13.976 -10.827 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -10.754 14.525 -10.598 1.00 0.00 H new ATOM 2393 N VAL B 56 -11.023 8.721 -8.784 1.00 0.00 N ATOM 2394 CA VAL B 56 -9.901 8.086 -8.045 1.00 0.00 C ATOM 2395 C VAL B 56 -9.681 6.695 -8.651 1.00 0.00 C ATOM 2396 O VAL B 56 -8.568 6.232 -8.797 1.00 0.00 O ATOM 2397 CB VAL B 56 -10.248 8.015 -6.533 1.00 0.00 C ATOM 2398 CG1 VAL B 56 -10.941 6.690 -6.176 1.00 0.00 C ATOM 2399 CG2 VAL B 56 -8.971 8.143 -5.691 1.00 0.00 C ATOM 0 H VAL B 56 -11.820 9.008 -8.216 1.00 0.00 H new ATOM 0 HA VAL B 56 -8.982 8.665 -8.134 1.00 0.00 H new ATOM 0 HB VAL B 56 -10.928 8.839 -6.316 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -11.169 6.674 -5.110 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -11.865 6.597 -6.747 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -10.280 5.857 -6.418 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -9.226 8.092 -4.633 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -8.289 7.330 -5.939 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -8.490 9.098 -5.902 1.00 0.00 H new ATOM 2409 N MET B 57 -10.750 6.039 -9.019 1.00 0.00 N ATOM 2410 CA MET B 57 -10.631 4.688 -9.635 1.00 0.00 C ATOM 2411 C MET B 57 -9.875 4.802 -10.964 1.00 0.00 C ATOM 2412 O MET B 57 -9.254 3.861 -11.415 1.00 0.00 O ATOM 2413 CB MET B 57 -12.036 4.129 -9.885 1.00 0.00 C ATOM 2414 CG MET B 57 -11.947 2.691 -10.400 1.00 0.00 C ATOM 2415 SD MET B 57 -11.314 1.621 -9.084 1.00 0.00 S ATOM 2416 CE MET B 57 -12.911 1.210 -8.337 1.00 0.00 C ATOM 0 H MET B 57 -11.705 6.384 -8.918 1.00 0.00 H new ATOM 0 HA MET B 57 -10.086 4.020 -8.968 1.00 0.00 H new ATOM 0 HB2 MET B 57 -12.616 4.158 -8.963 1.00 0.00 H new ATOM 0 HB3 MET B 57 -12.559 4.751 -10.611 1.00 0.00 H new ATOM 0 HG2 MET B 57 -12.930 2.347 -10.723 1.00 0.00 H new ATOM 0 HG3 MET B 57 -11.291 2.644 -11.269 1.00 0.00 H new ATOM 0 HE1 MET B 57 -12.812 0.302 -7.743 1.00 0.00 H new ATOM 0 HE2 MET B 57 -13.234 2.030 -7.696 1.00 0.00 H new ATOM 0 HE3 MET B 57 -13.650 1.051 -9.122 1.00 0.00 H new ATOM 2426 N GLU B 58 -9.923 5.946 -11.596 1.00 0.00 N ATOM 2427 CA GLU B 58 -9.204 6.111 -12.896 1.00 0.00 C ATOM 2428 C GLU B 58 -7.706 6.239 -12.637 1.00 0.00 C ATOM 2429 O GLU B 58 -6.890 5.835 -13.441 1.00 0.00 O ATOM 2430 CB GLU B 58 -9.714 7.362 -13.620 1.00 0.00 C ATOM 2431 CG GLU B 58 -11.087 7.072 -14.223 1.00 0.00 C ATOM 2432 CD GLU B 58 -11.653 8.349 -14.845 1.00 0.00 C ATOM 2433 OE1 GLU B 58 -10.957 9.350 -14.832 1.00 0.00 O ATOM 2434 OE2 GLU B 58 -12.776 8.305 -15.324 1.00 0.00 O ATOM 0 H GLU B 58 -10.427 6.771 -11.270 1.00 0.00 H new ATOM 0 HA GLU B 58 -9.390 5.239 -13.523 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -9.779 8.198 -12.924 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -9.014 7.653 -14.403 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -11.006 6.292 -14.980 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -11.763 6.700 -13.453 1.00 0.00 H new ATOM 2441 N THR B 59 -7.336 6.788 -11.516 1.00 0.00 N ATOM 2442 CA THR B 59 -5.886 6.933 -11.198 1.00 0.00 C ATOM 2443 C THR B 59 -5.394 5.671 -10.496 1.00 0.00 C ATOM 2444 O THR B 59 -4.238 5.311 -10.585 1.00 0.00 O ATOM 2445 CB THR B 59 -5.674 8.121 -10.261 1.00 0.00 C ATOM 2446 OG1 THR B 59 -6.124 9.311 -10.893 1.00 0.00 O ATOM 2447 CG2 THR B 59 -4.185 8.240 -9.933 1.00 0.00 C ATOM 0 H THR B 59 -7.974 7.144 -10.804 1.00 0.00 H new ATOM 0 HA THR B 59 -5.335 7.091 -12.125 1.00 0.00 H new ATOM 0 HB THR B 59 -6.239 7.971 -9.341 1.00 0.00 H new ATOM 0 HG1 THR B 59 -5.989 10.072 -10.291 1.00 0.00 H new ATOM 0 HG21 THR B 59 -4.026 9.086 -9.264 1.00 0.00 H new ATOM 0 HG22 THR B 59 -3.845 7.325 -9.448 1.00 0.00 H new ATOM 0 HG23 THR B 59 -3.621 8.394 -10.853 1.00 0.00 H new ATOM 2455 N LEU B 60 -6.256 5.013 -9.771 1.00 0.00 N ATOM 2456 CA LEU B 60 -5.840 3.798 -9.030 1.00 0.00 C ATOM 2457 C LEU B 60 -5.998 2.546 -9.904 1.00 0.00 C ATOM 2458 O LEU B 60 -5.067 1.782 -10.063 1.00 0.00 O ATOM 2459 CB LEU B 60 -6.715 3.677 -7.784 1.00 0.00 C ATOM 2460 CG LEU B 60 -6.239 2.503 -6.932 1.00 0.00 C ATOM 2461 CD1 LEU B 60 -4.810 2.764 -6.407 1.00 0.00 C ATOM 2462 CD2 LEU B 60 -7.207 2.312 -5.759 1.00 0.00 C ATOM 0 H LEU B 60 -7.237 5.270 -9.662 1.00 0.00 H new ATOM 0 HA LEU B 60 -4.789 3.881 -8.752 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -6.670 4.600 -7.206 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -7.756 3.531 -8.072 1.00 0.00 H new ATOM 0 HG LEU B 60 -6.219 1.599 -7.540 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -4.485 1.918 -5.801 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -4.130 2.890 -7.250 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -4.805 3.669 -5.799 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -6.874 1.475 -5.145 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -7.230 3.219 -5.155 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -8.207 2.106 -6.142 1.00 0.00 H new ATOM 2474 N ASP B 61 -7.154 2.315 -10.468 1.00 0.00 N ATOM 2475 CA ASP B 61 -7.327 1.099 -11.315 1.00 0.00 C ATOM 2476 C ASP B 61 -6.285 1.095 -12.418 1.00 0.00 C ATOM 2477 O ASP B 61 -6.357 1.834 -13.379 1.00 0.00 O ATOM 2478 CB ASP B 61 -8.729 1.088 -11.905 1.00 0.00 C ATOM 2479 CG ASP B 61 -8.974 -0.251 -12.589 1.00 0.00 C ATOM 2480 OD1 ASP B 61 -8.072 -1.072 -12.586 1.00 0.00 O ATOM 2481 OD2 ASP B 61 -10.059 -0.433 -13.109 1.00 0.00 O ATOM 0 H ASP B 61 -7.978 2.909 -10.380 1.00 0.00 H new ATOM 0 HA ASP B 61 -7.195 0.204 -10.707 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -9.468 1.250 -11.120 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -8.841 1.902 -12.621 1.00 0.00 H new ATOM 2486 N GLU B 62 -5.308 0.251 -12.267 1.00 0.00 N ATOM 2487 CA GLU B 62 -4.222 0.158 -13.280 1.00 0.00 C ATOM 2488 C GLU B 62 -4.609 -0.875 -14.320 1.00 0.00 C ATOM 2489 O GLU B 62 -4.460 -0.666 -15.507 1.00 0.00 O ATOM 2490 CB GLU B 62 -2.917 -0.260 -12.603 1.00 0.00 C ATOM 2491 CG GLU B 62 -1.753 -0.066 -13.576 1.00 0.00 C ATOM 2492 CD GLU B 62 -1.505 1.429 -13.784 1.00 0.00 C ATOM 2493 OE1 GLU B 62 -1.832 2.193 -12.890 1.00 0.00 O ATOM 2494 OE2 GLU B 62 -0.991 1.785 -14.832 1.00 0.00 O ATOM 0 H GLU B 62 -5.213 -0.386 -11.476 1.00 0.00 H new ATOM 0 HA GLU B 62 -4.079 1.128 -13.756 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -2.755 0.333 -11.703 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -2.974 -1.303 -12.291 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -0.855 -0.543 -13.185 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -1.979 -0.544 -14.529 1.00 0.00 H new ATOM 2501 N ASP B 63 -5.120 -1.985 -13.885 1.00 0.00 N ATOM 2502 CA ASP B 63 -5.535 -3.021 -14.854 1.00 0.00 C ATOM 2503 C ASP B 63 -6.853 -2.576 -15.482 1.00 0.00 C ATOM 2504 O ASP B 63 -7.367 -3.209 -16.382 1.00 0.00 O ATOM 2505 CB ASP B 63 -5.715 -4.364 -14.131 1.00 0.00 C ATOM 2506 CG ASP B 63 -6.272 -4.125 -12.725 1.00 0.00 C ATOM 2507 OD1 ASP B 63 -5.673 -3.355 -11.993 1.00 0.00 O ATOM 2508 OD2 ASP B 63 -7.286 -4.720 -12.404 1.00 0.00 O ATOM 0 H ASP B 63 -5.267 -2.218 -12.903 1.00 0.00 H new ATOM 0 HA ASP B 63 -4.778 -3.149 -15.627 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -6.392 -5.004 -14.697 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -4.760 -4.886 -14.070 1.00 0.00 H new ATOM 2513 N GLY B 64 -7.411 -1.481 -15.018 1.00 0.00 N ATOM 2514 CA GLY B 64 -8.694 -1.018 -15.613 1.00 0.00 C ATOM 2515 C GLY B 64 -9.752 -2.087 -15.365 1.00 0.00 C ATOM 2516 O GLY B 64 -10.494 -2.460 -16.253 1.00 0.00 O ATOM 0 H GLY B 64 -7.037 -0.901 -14.267 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -8.999 -0.071 -15.167 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -8.575 -0.843 -16.682 1.00 0.00 H new ATOM 2520 N ASP B 65 -9.817 -2.601 -14.163 1.00 0.00 N ATOM 2521 CA ASP B 65 -10.818 -3.671 -13.855 1.00 0.00 C ATOM 2522 C ASP B 65 -12.046 -3.060 -13.188 1.00 0.00 C ATOM 2523 O ASP B 65 -13.029 -3.732 -12.946 1.00 0.00 O ATOM 2524 CB ASP B 65 -10.190 -4.687 -12.904 1.00 0.00 C ATOM 2525 CG ASP B 65 -9.680 -3.965 -11.655 1.00 0.00 C ATOM 2526 OD1 ASP B 65 -9.922 -2.774 -11.545 1.00 0.00 O ATOM 2527 OD2 ASP B 65 -9.057 -4.614 -10.832 1.00 0.00 O ATOM 0 H ASP B 65 -9.222 -2.327 -13.381 1.00 0.00 H new ATOM 0 HA ASP B 65 -11.116 -4.159 -14.783 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -10.924 -5.444 -12.626 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -9.369 -5.206 -13.399 1.00 0.00 H new ATOM 2532 N GLY B 66 -12.000 -1.798 -12.879 1.00 0.00 N ATOM 2533 CA GLY B 66 -13.175 -1.162 -12.219 1.00 0.00 C ATOM 2534 C GLY B 66 -13.211 -1.599 -10.761 1.00 0.00 C ATOM 2535 O GLY B 66 -14.149 -1.333 -10.037 1.00 0.00 O ATOM 0 H GLY B 66 -11.207 -1.180 -13.052 1.00 0.00 H new ATOM 0 HA2 GLY B 66 -13.105 -0.076 -12.287 1.00 0.00 H new ATOM 0 HA3 GLY B 66 -14.096 -1.454 -12.724 1.00 0.00 H new ATOM 2539 N GLU B 67 -12.177 -2.264 -10.329 1.00 0.00 N ATOM 2540 CA GLU B 67 -12.095 -2.729 -8.917 1.00 0.00 C ATOM 2541 C GLU B 67 -10.674 -2.480 -8.427 1.00 0.00 C ATOM 2542 O GLU B 67 -9.813 -2.093 -9.192 1.00 0.00 O ATOM 2543 CB GLU B 67 -12.412 -4.225 -8.841 1.00 0.00 C ATOM 2544 CG GLU B 67 -13.692 -4.523 -9.626 1.00 0.00 C ATOM 2545 CD GLU B 67 -14.080 -5.990 -9.430 1.00 0.00 C ATOM 2546 OE1 GLU B 67 -13.525 -6.827 -10.125 1.00 0.00 O ATOM 2547 OE2 GLU B 67 -14.924 -6.253 -8.590 1.00 0.00 O ATOM 0 H GLU B 67 -11.372 -2.509 -10.905 1.00 0.00 H new ATOM 0 HA GLU B 67 -12.814 -2.192 -8.298 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -11.582 -4.803 -9.247 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -12.533 -4.528 -7.801 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -14.499 -3.874 -9.287 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -13.539 -4.314 -10.685 1.00 0.00 H new ATOM 2554 N CYS B 68 -10.417 -2.684 -7.162 1.00 0.00 N ATOM 2555 CA CYS B 68 -9.042 -2.442 -6.618 1.00 0.00 C ATOM 2556 C CYS B 68 -8.488 -3.711 -5.974 1.00 0.00 C ATOM 2557 O CYS B 68 -8.720 -3.970 -4.808 1.00 0.00 O ATOM 2558 CB CYS B 68 -9.106 -1.338 -5.560 1.00 0.00 C ATOM 2559 SG CYS B 68 -10.095 0.041 -6.181 1.00 0.00 S ATOM 0 H CYS B 68 -11.100 -3.009 -6.478 1.00 0.00 H new ATOM 0 HA CYS B 68 -8.389 -2.145 -7.439 1.00 0.00 H new ATOM 0 HB2 CYS B 68 -9.543 -1.727 -4.640 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -8.100 -0.996 -5.315 1.00 0.00 H new ATOM 0 HG CYS B 68 -10.085 0.032 -7.481 1.00 0.00 H new ATOM 2565 N ASP B 69 -7.751 -4.504 -6.715 1.00 0.00 N ATOM 2566 CA ASP B 69 -7.169 -5.743 -6.121 1.00 0.00 C ATOM 2567 C ASP B 69 -6.425 -5.349 -4.845 1.00 0.00 C ATOM 2568 O ASP B 69 -6.433 -4.204 -4.457 1.00 0.00 O ATOM 2569 CB ASP B 69 -6.190 -6.386 -7.109 1.00 0.00 C ATOM 2570 CG ASP B 69 -6.857 -6.511 -8.480 1.00 0.00 C ATOM 2571 OD1 ASP B 69 -7.312 -5.500 -8.989 1.00 0.00 O ATOM 2572 OD2 ASP B 69 -6.901 -7.614 -8.996 1.00 0.00 O ATOM 0 H ASP B 69 -7.530 -4.346 -7.698 1.00 0.00 H new ATOM 0 HA ASP B 69 -7.959 -6.460 -5.898 1.00 0.00 H new ATOM 0 HB2 ASP B 69 -5.286 -5.782 -7.186 1.00 0.00 H new ATOM 0 HB3 ASP B 69 -5.887 -7.369 -6.749 1.00 0.00 H new ATOM 2577 N PHE B 70 -5.777 -6.262 -4.183 1.00 0.00 N ATOM 2578 CA PHE B 70 -5.058 -5.880 -2.934 1.00 0.00 C ATOM 2579 C PHE B 70 -3.763 -5.108 -3.262 1.00 0.00 C ATOM 2580 O PHE B 70 -3.303 -4.303 -2.480 1.00 0.00 O ATOM 2581 CB PHE B 70 -4.726 -7.145 -2.117 1.00 0.00 C ATOM 2582 CG PHE B 70 -4.572 -8.343 -3.037 1.00 0.00 C ATOM 2583 CD1 PHE B 70 -3.479 -8.433 -3.910 1.00 0.00 C ATOM 2584 CD2 PHE B 70 -5.529 -9.369 -3.015 1.00 0.00 C ATOM 2585 CE1 PHE B 70 -3.345 -9.542 -4.756 1.00 0.00 C ATOM 2586 CE2 PHE B 70 -5.395 -10.476 -3.862 1.00 0.00 C ATOM 2587 CZ PHE B 70 -4.302 -10.561 -4.733 1.00 0.00 C ATOM 0 H PHE B 70 -5.712 -7.245 -4.446 1.00 0.00 H new ATOM 0 HA PHE B 70 -5.705 -5.229 -2.346 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.806 -6.991 -1.553 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -5.517 -7.335 -1.391 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -2.739 -7.647 -3.931 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -6.372 -9.305 -2.343 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -2.501 -9.610 -5.427 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -6.134 -11.263 -3.843 1.00 0.00 H new ATOM 0 HZ PHE B 70 -4.198 -11.414 -5.387 1.00 0.00 H new ATOM 2597 N GLN B 71 -3.160 -5.377 -4.385 1.00 0.00 N ATOM 2598 CA GLN B 71 -1.878 -4.706 -4.743 1.00 0.00 C ATOM 2599 C GLN B 71 -2.071 -3.207 -4.967 1.00 0.00 C ATOM 2600 O GLN B 71 -1.338 -2.392 -4.431 1.00 0.00 O ATOM 2601 CB GLN B 71 -1.304 -5.343 -6.017 1.00 0.00 C ATOM 2602 CG GLN B 71 0.023 -4.669 -6.362 1.00 0.00 C ATOM 2603 CD GLN B 71 0.734 -5.458 -7.464 1.00 0.00 C ATOM 2604 OE1 GLN B 71 0.174 -6.374 -8.033 1.00 0.00 O ATOM 2605 NE2 GLN B 71 1.955 -5.134 -7.792 1.00 0.00 N ATOM 0 H GLN B 71 -3.504 -6.041 -5.079 1.00 0.00 H new ATOM 0 HA GLN B 71 -1.186 -4.837 -3.911 1.00 0.00 H new ATOM 0 HB2 GLN B 71 -1.154 -6.412 -5.868 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -2.007 -5.232 -6.842 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -0.153 -3.645 -6.691 1.00 0.00 H new ATOM 0 HG3 GLN B 71 0.655 -4.614 -5.476 1.00 0.00 H new ATOM 0 HE21 GLN B 71 2.424 -4.365 -7.314 1.00 0.00 H new ATOM 0 HE22 GLN B 71 2.440 -5.650 -8.526 1.00 0.00 H new ATOM 2614 N GLU B 72 -3.053 -2.810 -5.726 1.00 0.00 N ATOM 2615 CA GLU B 72 -3.255 -1.352 -5.946 1.00 0.00 C ATOM 2616 C GLU B 72 -4.147 -0.801 -4.843 1.00 0.00 C ATOM 2617 O GLU B 72 -4.007 0.329 -4.431 1.00 0.00 O ATOM 2618 CB GLU B 72 -3.865 -1.119 -7.334 1.00 0.00 C ATOM 2619 CG GLU B 72 -5.357 -1.517 -7.356 1.00 0.00 C ATOM 2620 CD GLU B 72 -5.749 -1.997 -8.758 1.00 0.00 C ATOM 2621 OE1 GLU B 72 -5.601 -1.223 -9.690 1.00 0.00 O ATOM 2622 OE2 GLU B 72 -6.185 -3.130 -8.874 1.00 0.00 O ATOM 0 H GLU B 72 -3.717 -3.423 -6.198 1.00 0.00 H new ATOM 0 HA GLU B 72 -2.300 -0.828 -5.910 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -3.761 -0.070 -7.610 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -3.319 -1.700 -8.077 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -5.543 -2.306 -6.627 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -5.974 -0.666 -7.068 1.00 0.00 H new ATOM 2629 N PHE B 73 -5.045 -1.587 -4.324 1.00 0.00 N ATOM 2630 CA PHE B 73 -5.899 -1.069 -3.220 1.00 0.00 C ATOM 2631 C PHE B 73 -4.983 -0.509 -2.144 1.00 0.00 C ATOM 2632 O PHE B 73 -5.140 0.602 -1.700 1.00 0.00 O ATOM 2633 CB PHE B 73 -6.754 -2.197 -2.648 1.00 0.00 C ATOM 2634 CG PHE B 73 -7.381 -1.819 -1.317 1.00 0.00 C ATOM 2635 CD1 PHE B 73 -7.692 -0.484 -0.996 1.00 0.00 C ATOM 2636 CD2 PHE B 73 -7.664 -2.837 -0.400 1.00 0.00 C ATOM 2637 CE1 PHE B 73 -8.282 -0.185 0.237 1.00 0.00 C ATOM 2638 CE2 PHE B 73 -8.256 -2.533 0.826 1.00 0.00 C ATOM 2639 CZ PHE B 73 -8.564 -1.211 1.146 1.00 0.00 C ATOM 0 H PHE B 73 -5.224 -2.550 -4.609 1.00 0.00 H new ATOM 0 HA PHE B 73 -6.567 -0.291 -3.589 1.00 0.00 H new ATOM 0 HB2 PHE B 73 -7.540 -2.452 -3.359 1.00 0.00 H new ATOM 0 HB3 PHE B 73 -6.139 -3.088 -2.519 1.00 0.00 H new ATOM 0 HD1 PHE B 73 -7.476 0.307 -1.699 1.00 0.00 H new ATOM 0 HD2 PHE B 73 -7.423 -3.862 -0.642 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -8.520 0.838 0.487 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -8.476 -3.323 1.529 1.00 0.00 H new ATOM 0 HZ PHE B 73 -9.021 -0.979 2.097 1.00 0.00 H new ATOM 2649 N MET B 74 -3.980 -1.247 -1.752 1.00 0.00 N ATOM 2650 CA MET B 74 -3.035 -0.695 -0.746 1.00 0.00 C ATOM 2651 C MET B 74 -2.571 0.646 -1.297 1.00 0.00 C ATOM 2652 O MET B 74 -2.541 1.648 -0.611 1.00 0.00 O ATOM 2653 CB MET B 74 -1.837 -1.641 -0.582 1.00 0.00 C ATOM 2654 CG MET B 74 -1.098 -1.373 0.751 1.00 0.00 C ATOM 2655 SD MET B 74 -1.655 -2.557 2.012 1.00 0.00 S ATOM 2656 CE MET B 74 -0.039 -2.923 2.756 1.00 0.00 C ATOM 0 H MET B 74 -3.778 -2.192 -2.079 1.00 0.00 H new ATOM 0 HA MET B 74 -3.506 -0.583 0.231 1.00 0.00 H new ATOM 0 HB2 MET B 74 -2.179 -2.675 -0.611 1.00 0.00 H new ATOM 0 HB3 MET B 74 -1.148 -1.510 -1.417 1.00 0.00 H new ATOM 0 HG2 MET B 74 -0.022 -1.463 0.605 1.00 0.00 H new ATOM 0 HG3 MET B 74 -1.291 -0.354 1.086 1.00 0.00 H new ATOM 0 HE1 MET B 74 -0.143 -3.744 3.466 1.00 0.00 H new ATOM 0 HE2 MET B 74 0.666 -3.206 1.974 1.00 0.00 H new ATOM 0 HE3 MET B 74 0.331 -2.039 3.275 1.00 0.00 H new ATOM 2666 N ALA B 75 -2.212 0.655 -2.552 1.00 0.00 N ATOM 2667 CA ALA B 75 -1.754 1.939 -3.159 1.00 0.00 C ATOM 2668 C ALA B 75 -2.811 3.022 -2.895 1.00 0.00 C ATOM 2669 O ALA B 75 -2.521 4.201 -2.958 1.00 0.00 O ATOM 2670 CB ALA B 75 -1.515 1.769 -4.663 1.00 0.00 C ATOM 0 H ALA B 75 -2.215 -0.154 -3.174 1.00 0.00 H new ATOM 0 HA ALA B 75 -0.809 2.239 -2.705 1.00 0.00 H new ATOM 0 HB1 ALA B 75 -1.182 2.716 -5.088 1.00 0.00 H new ATOM 0 HB2 ALA B 75 -0.751 1.009 -4.826 1.00 0.00 H new ATOM 0 HB3 ALA B 75 -2.442 1.461 -5.146 1.00 0.00 H new ATOM 2676 N PHE B 76 -4.024 2.644 -2.560 1.00 0.00 N ATOM 2677 CA PHE B 76 -5.050 3.692 -2.256 1.00 0.00 C ATOM 2678 C PHE B 76 -4.629 4.383 -0.974 1.00 0.00 C ATOM 2679 O PHE B 76 -4.448 5.581 -0.927 1.00 0.00 O ATOM 2680 CB PHE B 76 -6.448 3.089 -2.045 1.00 0.00 C ATOM 2681 CG PHE B 76 -7.408 4.184 -1.625 1.00 0.00 C ATOM 2682 CD1 PHE B 76 -8.001 5.013 -2.585 1.00 0.00 C ATOM 2683 CD2 PHE B 76 -7.701 4.370 -0.267 1.00 0.00 C ATOM 2684 CE1 PHE B 76 -8.884 6.024 -2.187 1.00 0.00 C ATOM 2685 CE2 PHE B 76 -8.584 5.381 0.130 1.00 0.00 C ATOM 2686 CZ PHE B 76 -9.175 6.208 -0.830 1.00 0.00 C ATOM 0 H PHE B 76 -4.342 1.678 -2.485 1.00 0.00 H new ATOM 0 HA PHE B 76 -5.108 4.380 -3.099 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -6.796 2.618 -2.964 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -6.410 2.311 -1.283 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -7.777 4.873 -3.632 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -7.244 3.732 0.475 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -9.341 6.663 -2.928 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -8.809 5.522 1.177 1.00 0.00 H new ATOM 0 HZ PHE B 76 -9.856 6.989 -0.525 1.00 0.00 H new ATOM 2696 N VAL B 77 -4.448 3.624 0.067 1.00 0.00 N ATOM 2697 CA VAL B 77 -4.019 4.231 1.349 1.00 0.00 C ATOM 2698 C VAL B 77 -2.752 5.045 1.105 1.00 0.00 C ATOM 2699 O VAL B 77 -2.476 6.019 1.772 1.00 0.00 O ATOM 2700 CB VAL B 77 -3.713 3.129 2.359 1.00 0.00 C ATOM 2701 CG1 VAL B 77 -3.290 3.771 3.674 1.00 0.00 C ATOM 2702 CG2 VAL B 77 -4.958 2.274 2.587 1.00 0.00 C ATOM 0 H VAL B 77 -4.579 2.613 0.084 1.00 0.00 H new ATOM 0 HA VAL B 77 -4.812 4.871 1.737 1.00 0.00 H new ATOM 0 HB VAL B 77 -2.912 2.495 1.978 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -3.069 2.993 4.404 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -2.401 4.380 3.512 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -4.098 4.400 4.048 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -4.733 1.489 3.309 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -5.764 2.900 2.971 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -5.267 1.822 1.644 1.00 0.00 H new ATOM 2712 N SER B 78 -1.976 4.639 0.152 1.00 0.00 N ATOM 2713 CA SER B 78 -0.716 5.359 -0.150 1.00 0.00 C ATOM 2714 C SER B 78 -1.029 6.721 -0.755 1.00 0.00 C ATOM 2715 O SER B 78 -0.322 7.683 -0.540 1.00 0.00 O ATOM 2716 CB SER B 78 0.085 4.536 -1.148 1.00 0.00 C ATOM 2717 OG SER B 78 1.428 4.993 -1.156 1.00 0.00 O ATOM 0 H SER B 78 -2.161 3.829 -0.439 1.00 0.00 H new ATOM 0 HA SER B 78 -0.145 5.502 0.767 1.00 0.00 H new ATOM 0 HB2 SER B 78 0.049 3.480 -0.879 1.00 0.00 H new ATOM 0 HB3 SER B 78 -0.349 4.627 -2.144 1.00 0.00 H new ATOM 0 HG SER B 78 1.982 4.372 -1.674 1.00 0.00 H new ATOM 2723 N MET B 79 -2.081 6.808 -1.515 1.00 0.00 N ATOM 2724 CA MET B 79 -2.442 8.104 -2.148 1.00 0.00 C ATOM 2725 C MET B 79 -3.103 9.020 -1.123 1.00 0.00 C ATOM 2726 O MET B 79 -2.980 10.227 -1.187 1.00 0.00 O ATOM 2727 CB MET B 79 -3.404 7.850 -3.311 1.00 0.00 C ATOM 2728 CG MET B 79 -2.645 7.205 -4.475 1.00 0.00 C ATOM 2729 SD MET B 79 -3.826 6.434 -5.609 1.00 0.00 S ATOM 2730 CE MET B 79 -4.642 7.953 -6.155 1.00 0.00 C ATOM 0 H MET B 79 -2.710 6.033 -1.726 1.00 0.00 H new ATOM 0 HA MET B 79 -1.538 8.586 -2.521 1.00 0.00 H new ATOM 0 HB2 MET B 79 -4.217 7.199 -2.988 1.00 0.00 H new ATOM 0 HB3 MET B 79 -3.856 8.788 -3.634 1.00 0.00 H new ATOM 0 HG2 MET B 79 -2.057 7.957 -5.001 1.00 0.00 H new ATOM 0 HG3 MET B 79 -1.945 6.459 -4.098 1.00 0.00 H new ATOM 0 HE1 MET B 79 -5.198 7.758 -7.072 1.00 0.00 H new ATOM 0 HE2 MET B 79 -5.328 8.296 -5.381 1.00 0.00 H new ATOM 0 HE3 MET B 79 -3.892 8.722 -6.342 1.00 0.00 H new ATOM 2740 N VAL B 80 -3.776 8.463 -0.153 1.00 0.00 N ATOM 2741 CA VAL B 80 -4.406 9.313 0.890 1.00 0.00 C ATOM 2742 C VAL B 80 -3.353 9.527 1.956 1.00 0.00 C ATOM 2743 O VAL B 80 -3.289 10.560 2.595 1.00 0.00 O ATOM 2744 CB VAL B 80 -5.668 8.638 1.489 1.00 0.00 C ATOM 2745 CG1 VAL B 80 -6.421 7.855 0.408 1.00 0.00 C ATOM 2746 CG2 VAL B 80 -5.292 7.678 2.631 1.00 0.00 C ATOM 0 H VAL B 80 -3.915 7.459 -0.040 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.741 10.259 0.465 1.00 0.00 H new ATOM 0 HB VAL B 80 -6.307 9.428 1.883 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -7.303 7.388 0.845 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -6.727 8.535 -0.387 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -5.769 7.085 -0.004 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -6.195 7.219 3.033 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -4.629 6.901 2.250 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -4.785 8.233 3.421 1.00 0.00 H new ATOM 2756 N THR B 81 -2.512 8.549 2.144 1.00 0.00 N ATOM 2757 CA THR B 81 -1.450 8.690 3.159 1.00 0.00 C ATOM 2758 C THR B 81 -0.387 9.628 2.614 1.00 0.00 C ATOM 2759 O THR B 81 0.213 10.386 3.349 1.00 0.00 O ATOM 2760 CB THR B 81 -0.835 7.323 3.458 1.00 0.00 C ATOM 2761 OG1 THR B 81 -1.841 6.471 3.976 1.00 0.00 O ATOM 2762 CG2 THR B 81 0.289 7.473 4.484 1.00 0.00 C ATOM 0 H THR B 81 -2.519 7.664 1.637 1.00 0.00 H new ATOM 0 HA THR B 81 -1.865 9.094 4.082 1.00 0.00 H new ATOM 0 HB THR B 81 -0.424 6.897 2.543 1.00 0.00 H new ATOM 0 HG1 THR B 81 -2.534 6.332 3.297 1.00 0.00 H new ATOM 0 HG21 THR B 81 0.724 6.495 4.693 1.00 0.00 H new ATOM 0 HG22 THR B 81 1.059 8.135 4.086 1.00 0.00 H new ATOM 0 HG23 THR B 81 -0.113 7.896 5.405 1.00 0.00 H new ATOM 2770 N THR B 82 -0.123 9.586 1.330 1.00 0.00 N ATOM 2771 CA THR B 82 0.927 10.487 0.775 1.00 0.00 C ATOM 2772 C THR B 82 0.455 11.935 0.827 1.00 0.00 C ATOM 2773 O THR B 82 1.223 12.827 1.125 1.00 0.00 O ATOM 2774 CB THR B 82 1.209 10.105 -0.679 1.00 0.00 C ATOM 2775 OG1 THR B 82 -0.017 9.861 -1.347 1.00 0.00 O ATOM 2776 CG2 THR B 82 2.086 8.847 -0.726 1.00 0.00 C ATOM 0 H THR B 82 -0.583 8.976 0.654 1.00 0.00 H new ATOM 0 HA THR B 82 1.834 10.382 1.370 1.00 0.00 H new ATOM 0 HB THR B 82 1.735 10.922 -1.173 1.00 0.00 H new ATOM 0 HG1 THR B 82 -0.275 8.924 -1.225 1.00 0.00 H new ATOM 0 HG21 THR B 82 2.283 8.580 -1.764 1.00 0.00 H new ATOM 0 HG22 THR B 82 3.029 9.042 -0.216 1.00 0.00 H new ATOM 0 HG23 THR B 82 1.569 8.024 -0.232 1.00 0.00 H new ATOM 2784 N ALA B 83 -0.796 12.192 0.549 1.00 0.00 N ATOM 2785 CA ALA B 83 -1.279 13.595 0.601 1.00 0.00 C ATOM 2786 C ALA B 83 -1.019 14.138 1.999 1.00 0.00 C ATOM 2787 O ALA B 83 -0.619 15.272 2.174 1.00 0.00 O ATOM 2788 CB ALA B 83 -2.778 13.626 0.304 1.00 0.00 C ATOM 0 H ALA B 83 -1.495 11.496 0.291 1.00 0.00 H new ATOM 0 HA ALA B 83 -0.759 14.204 -0.138 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -3.135 14.655 0.342 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -2.961 13.214 -0.689 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -3.309 13.030 1.047 1.00 0.00 H new ATOM 2794 N CYS B 84 -1.229 13.329 2.999 1.00 0.00 N ATOM 2795 CA CYS B 84 -0.975 13.800 4.387 1.00 0.00 C ATOM 2796 C CYS B 84 0.519 14.067 4.552 1.00 0.00 C ATOM 2797 O CYS B 84 0.939 14.743 5.470 1.00 0.00 O ATOM 2798 CB CYS B 84 -1.420 12.726 5.384 1.00 0.00 C ATOM 2799 SG CYS B 84 -3.137 12.267 5.044 1.00 0.00 S ATOM 0 H CYS B 84 -1.563 12.369 2.916 1.00 0.00 H new ATOM 0 HA CYS B 84 -1.536 14.715 4.576 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -0.775 11.851 5.305 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -1.327 13.099 6.404 1.00 0.00 H new ATOM 0 HG CYS B 84 -3.198 11.618 3.919 1.00 0.00 H new ATOM 2805 N HIS B 85 1.325 13.543 3.662 1.00 0.00 N ATOM 2806 CA HIS B 85 2.805 13.759 3.749 1.00 0.00 C ATOM 2807 C HIS B 85 3.246 14.770 2.685 1.00 0.00 C ATOM 2808 O HIS B 85 4.138 15.565 2.907 1.00 0.00 O ATOM 2809 CB HIS B 85 3.525 12.426 3.514 1.00 0.00 C ATOM 2810 CG HIS B 85 4.950 12.539 3.977 1.00 0.00 C ATOM 2811 ND1 HIS B 85 5.278 12.822 5.292 1.00 0.00 N ATOM 2812 CD2 HIS B 85 6.141 12.410 3.312 1.00 0.00 C ATOM 2813 CE1 HIS B 85 6.621 12.854 5.377 1.00 0.00 C ATOM 2814 NE2 HIS B 85 7.195 12.609 4.196 1.00 0.00 N ATOM 0 H HIS B 85 1.021 12.971 2.874 1.00 0.00 H new ATOM 0 HA HIS B 85 3.056 14.145 4.737 1.00 0.00 H new ATOM 0 HB2 HIS B 85 3.018 11.626 4.054 1.00 0.00 H new ATOM 0 HB3 HIS B 85 3.495 12.165 2.456 1.00 0.00 H new ATOM 0 HD1 HIS B 85 4.622 12.978 6.057 1.00 0.00 H new ATOM 0 HD2 HIS B 85 6.245 12.187 2.260 1.00 0.00 H new ATOM 0 HE1 HIS B 85 7.167 13.053 6.287 1.00 0.00 H new ATOM 2822 N GLU B 86 2.631 14.752 1.533 1.00 0.00 N ATOM 2823 CA GLU B 86 3.023 15.718 0.466 1.00 0.00 C ATOM 2824 C GLU B 86 2.602 17.126 0.885 1.00 0.00 C ATOM 2825 O GLU B 86 3.278 18.097 0.608 1.00 0.00 O ATOM 2826 CB GLU B 86 2.328 15.344 -0.848 1.00 0.00 C ATOM 2827 CG GLU B 86 2.567 16.442 -1.888 1.00 0.00 C ATOM 2828 CD GLU B 86 2.234 15.910 -3.283 1.00 0.00 C ATOM 2829 OE1 GLU B 86 2.920 15.006 -3.728 1.00 0.00 O ATOM 2830 OE2 GLU B 86 1.298 16.415 -3.880 1.00 0.00 O ATOM 0 H GLU B 86 1.876 14.112 1.285 1.00 0.00 H new ATOM 0 HA GLU B 86 4.103 15.686 0.322 1.00 0.00 H new ATOM 0 HB2 GLU B 86 2.711 14.392 -1.215 1.00 0.00 H new ATOM 0 HB3 GLU B 86 1.259 15.214 -0.681 1.00 0.00 H new ATOM 0 HG2 GLU B 86 1.949 17.311 -1.662 1.00 0.00 H new ATOM 0 HG3 GLU B 86 3.605 16.771 -1.852 1.00 0.00 H new ATOM 2837 N PHE B 87 1.489 17.242 1.550 1.00 0.00 N ATOM 2838 CA PHE B 87 1.024 18.587 1.988 1.00 0.00 C ATOM 2839 C PHE B 87 1.902 19.069 3.143 1.00 0.00 C ATOM 2840 O PHE B 87 2.303 20.216 3.195 1.00 0.00 O ATOM 2841 CB PHE B 87 -0.435 18.499 2.440 1.00 0.00 C ATOM 2842 CG PHE B 87 -1.021 19.889 2.549 1.00 0.00 C ATOM 2843 CD1 PHE B 87 -0.765 20.672 3.682 1.00 0.00 C ATOM 2844 CD2 PHE B 87 -1.830 20.393 1.520 1.00 0.00 C ATOM 2845 CE1 PHE B 87 -1.315 21.956 3.788 1.00 0.00 C ATOM 2846 CE2 PHE B 87 -2.378 21.678 1.626 1.00 0.00 C ATOM 2847 CZ PHE B 87 -2.120 22.458 2.760 1.00 0.00 C ATOM 0 H PHE B 87 0.881 16.465 1.810 1.00 0.00 H new ATOM 0 HA PHE B 87 1.097 19.293 1.161 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -1.011 17.906 1.729 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -0.497 17.991 3.403 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -0.142 20.285 4.475 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -2.030 19.791 0.646 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -1.118 22.558 4.663 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -2.999 22.067 0.833 1.00 0.00 H new ATOM 0 HZ PHE B 87 -2.543 23.448 2.841 1.00 0.00 H new ATOM 2857 N PHE B 88 2.215 18.202 4.070 1.00 0.00 N ATOM 2858 CA PHE B 88 3.077 18.617 5.215 1.00 0.00 C ATOM 2859 C PHE B 88 4.503 18.869 4.700 1.00 0.00 C ATOM 2860 O PHE B 88 5.356 19.347 5.421 1.00 0.00 O ATOM 2861 CB PHE B 88 3.096 17.498 6.278 1.00 0.00 C ATOM 2862 CG PHE B 88 1.942 17.670 7.245 1.00 0.00 C ATOM 2863 CD1 PHE B 88 0.654 17.937 6.763 1.00 0.00 C ATOM 2864 CD2 PHE B 88 2.162 17.556 8.625 1.00 0.00 C ATOM 2865 CE1 PHE B 88 -0.410 18.090 7.659 1.00 0.00 C ATOM 2866 CE2 PHE B 88 1.096 17.710 9.520 1.00 0.00 C ATOM 2867 CZ PHE B 88 -0.190 17.977 9.036 1.00 0.00 C ATOM 0 H PHE B 88 1.912 17.228 4.084 1.00 0.00 H new ATOM 0 HA PHE B 88 2.683 19.529 5.665 1.00 0.00 H new ATOM 0 HB2 PHE B 88 3.030 16.525 5.792 1.00 0.00 H new ATOM 0 HB3 PHE B 88 4.041 17.519 6.821 1.00 0.00 H new ATOM 0 HD1 PHE B 88 0.482 18.025 5.700 1.00 0.00 H new ATOM 0 HD2 PHE B 88 3.154 17.349 8.998 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -1.403 18.296 7.287 1.00 0.00 H new ATOM 0 HE2 PHE B 88 1.266 17.623 10.583 1.00 0.00 H new ATOM 0 HZ PHE B 88 -1.013 18.096 9.726 1.00 0.00 H new ATOM 2877 N GLU B 89 4.768 18.540 3.458 1.00 0.00 N ATOM 2878 CA GLU B 89 6.142 18.745 2.893 1.00 0.00 C ATOM 2879 C GLU B 89 6.184 20.027 2.052 1.00 0.00 C ATOM 2880 O GLU B 89 7.241 20.465 1.640 1.00 0.00 O ATOM 2881 CB GLU B 89 6.510 17.544 2.005 1.00 0.00 C ATOM 2882 CG GLU B 89 7.005 16.389 2.880 1.00 0.00 C ATOM 2883 CD GLU B 89 7.094 15.113 2.040 1.00 0.00 C ATOM 2884 OE1 GLU B 89 6.370 15.017 1.063 1.00 0.00 O ATOM 2885 OE2 GLU B 89 7.887 14.254 2.389 1.00 0.00 O ATOM 0 H GLU B 89 4.091 18.138 2.809 1.00 0.00 H new ATOM 0 HA GLU B 89 6.854 18.834 3.714 1.00 0.00 H new ATOM 0 HB2 GLU B 89 5.642 17.228 1.426 1.00 0.00 H new ATOM 0 HB3 GLU B 89 7.283 17.830 1.292 1.00 0.00 H new ATOM 0 HG2 GLU B 89 7.982 16.630 3.300 1.00 0.00 H new ATOM 0 HG3 GLU B 89 6.326 16.238 3.719 1.00 0.00 H new ATOM 2892 N HIS B 90 5.061 20.635 1.787 1.00 0.00 N ATOM 2893 CA HIS B 90 5.086 21.882 0.970 1.00 0.00 C ATOM 2894 C HIS B 90 5.886 22.953 1.712 1.00 0.00 C ATOM 2895 O HIS B 90 5.400 23.582 2.631 1.00 0.00 O ATOM 2896 CB HIS B 90 3.658 22.384 0.734 1.00 0.00 C ATOM 2897 CG HIS B 90 2.969 21.525 -0.296 1.00 0.00 C ATOM 2898 ND1 HIS B 90 1.631 21.173 -0.182 1.00 0.00 N ATOM 2899 CD2 HIS B 90 3.411 20.940 -1.462 1.00 0.00 C ATOM 2900 CE1 HIS B 90 1.318 20.411 -1.246 1.00 0.00 C ATOM 2901 NE2 HIS B 90 2.364 20.240 -2.052 1.00 0.00 N ATOM 0 H HIS B 90 4.138 20.328 2.096 1.00 0.00 H new ATOM 0 HA HIS B 90 5.552 21.672 0.007 1.00 0.00 H new ATOM 0 HB2 HIS B 90 3.098 22.363 1.669 1.00 0.00 H new ATOM 0 HB3 HIS B 90 3.680 23.421 0.398 1.00 0.00 H new ATOM 0 HD2 HIS B 90 4.414 21.013 -1.856 1.00 0.00 H new ATOM 0 HE1 HIS B 90 0.339 19.990 -1.424 1.00 0.00 H new ATOM 0 HE2 HIS B 90 2.392 19.707 -2.921 1.00 0.00 H new ATOM 2910 N GLU B 91 7.113 23.166 1.320 1.00 0.00 N ATOM 2911 CA GLU B 91 7.946 24.194 2.003 1.00 0.00 C ATOM 2912 C GLU B 91 7.367 25.585 1.729 1.00 0.00 C ATOM 2913 O GLU B 91 6.395 25.667 0.995 1.00 0.00 O ATOM 2914 CB GLU B 91 9.382 24.122 1.477 1.00 0.00 C ATOM 2915 CG GLU B 91 9.364 24.049 -0.051 1.00 0.00 C ATOM 2916 CD GLU B 91 10.783 24.234 -0.589 1.00 0.00 C ATOM 2917 OE1 GLU B 91 11.435 25.176 -0.171 1.00 0.00 O ATOM 2918 OE2 GLU B 91 11.195 23.431 -1.410 1.00 0.00 O ATOM 2919 OXT GLU B 91 7.904 26.543 2.258 1.00 0.00 O ATOM 0 H GLU B 91 7.574 22.672 0.556 1.00 0.00 H new ATOM 0 HA GLU B 91 7.946 24.007 3.077 1.00 0.00 H new ATOM 0 HB2 GLU B 91 9.944 24.997 1.803 1.00 0.00 H new ATOM 0 HB3 GLU B 91 9.887 23.248 1.887 1.00 0.00 H new ATOM 0 HG2 GLU B 91 8.964 23.088 -0.375 1.00 0.00 H new ATOM 0 HG3 GLU B 91 8.708 24.820 -0.454 1.00 0.00 H new TER 2926 GLU B 91 HETATM 2927 CA CA A 92 14.805 7.806 -1.131 1.00 0.00 CA HETATM 2928 CA CA A 93 7.532 2.379 -10.401 1.00 0.00 CA HETATM 2929 ZN ZN A 94 8.490 12.331 2.672 1.00 0.00 ZN HETATM 2930 CA CA B 92 -14.442 -7.314 -1.184 1.00 0.00 CA HETATM 2931 CA CA B 93 -7.604 -2.362 -10.290 1.00 0.00 CA HETATM 2932 ZN ZN B 94 -8.493 -12.371 2.273 1.00 0.00 ZN