USER MOD reduce.3.24.130724 H: found=0, std=0, add=1354, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 1350 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 MET CE :methyl -158:sc= -1.49 (180deg=-1.81) USER MOD Set 1.2: B 78 SER OG : rot -31:sc= -3.73! USER MOD Set 2.1: B 57 MET CE :methyl 170:sc= -2.08! (180deg=-2.4!) USER MOD Set 2.2: B 68 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: B 41 SER OG : rot 180:sc= 0 USER MOD Set 3.2: B 42 HIS : no HD1:sc= -0.0871 X(o=-0.087,f=0) USER MOD Set 4.1: B 37 ASN : amide:sc= -3.39! X(o=-4.4!,f=-3.9) USER MOD Set 4.2: B 38 ASN : amide:sc= -0.99 K(o=-4.4,f=-8.7!) USER MOD Set 5.1: A 85 HIS : no HD1:sc= -0.683 K(o=-10,f=-19!) USER MOD Set 5.2: B 15 HIS :FLIP no HD1:sc= -0.955 F(o=-12!,f=-10) USER MOD Set 5.3: B 24 LYS NZ :NH3+ -118:sc= 0.0316 (180deg=0) USER MOD Set 5.4: B 25 HIS :FLIP no HE2:sc= -8.86! C(o=-11!,f=-10!) USER MOD Set 6.1: A 78 SER OG : rot -31:sc= -3.94! USER MOD Set 6.2: B 74 MET CE :methyl -158:sc= -1.6 (180deg=-1.95) USER MOD Set 7.1: A 57 MET CE :methyl 168:sc= -2.01! (180deg=-2.39!) USER MOD Set 7.2: A 68 CYS SG : rot 180:sc= 0 USER MOD Set 8.1: A 41 SER OG : rot 180:sc= 0 USER MOD Set 8.2: A 42 HIS : no HD1:sc= -0.0811 X(o=-0.081,f=0) USER MOD Set 9.1: A 37 ASN : amide:sc= -3.24! X(o=-3.9!,f=-3.6) USER MOD Set 9.2: A 38 ASN : amide:sc= -0.695 K(o=-3.9,f=-8.6!) USER MOD Set10.1: A 15 HIS :FLIP no HD1:sc= -0.998 F(o=-12!,f=-10) USER MOD Set10.2: A 24 LYS NZ :NH3+ -117:sc= 0.0191 (180deg=0) USER MOD Set10.3: A 25 HIS :FLIP no HE2:sc= -8.78! C(o=-11!,f=-10!) USER MOD Set10.4: B 85 HIS : no HD1:sc= -0.524 K(o=-10,f=-19!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl -162:sc= -0.374 (180deg=-1.29) USER MOD Single : A 16 GLN : amide:sc= -0.197 K(o=-0.2,f=-2.5!) USER MOD Single : A 17 TYR OH : rot 30:sc= 0 USER MOD Single : A 18 SER OG : rot -112:sc= 0.584 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= -0.259 (180deg=-0.946) USER MOD Single : A 29 LYS NZ :NH3+ -138:sc= -3.03! (180deg=-5.73!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -158:sc= 0.713 (180deg=0.362) USER MOD Single : A 50 GLN : amide:sc= -3.18! C(o=-3.2!,f=-3.7!) USER MOD Single : A 55 LYS NZ :NH3+ -151:sc= -0.105 (180deg=-0.745) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.0408 F(o=-0.99,f=-0.041) USER MOD Single : A 79 MET CE :methyl 172:sc= -0.452 (180deg=-0.453) USER MOD Single : A 81 THR OG1 : rot 57:sc= -0.358 USER MOD Single : A 82 THR OG1 : rot -89:sc= -0.632! USER MOD Single : A 84 CYS SG : rot -18:sc= -0.147 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 MET CE :methyl -165:sc= -0.402 (180deg=-1.43) USER MOD Single : B 16 GLN : amide:sc= -0.182 K(o=-0.18,f=-2.5!) USER MOD Single : B 17 TYR OH : rot 30:sc= 0 USER MOD Single : B 18 SER OG : rot -107:sc= 0.565 USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ -162:sc= -0.276 (180deg=-0.864) USER MOD Single : B 29 LYS NZ :NH3+ -138:sc= -2.99! (180deg=-5.57!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 LYS NZ :NH3+ -167:sc= 0.784 (180deg=0.212) USER MOD Single : B 50 GLN : amide:sc= -3.31! C(o=-3.3!,f=-3.9!) USER MOD Single : B 55 LYS NZ :NH3+ -150:sc= -0.115 (180deg=-0.752) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 GLN :FLIP amide:sc=-0.00296 F(o=-1,f=-0.003) USER MOD Single : B 79 MET CE :methyl 172:sc= -0.387 (180deg=-0.389) USER MOD Single : B 81 THR OG1 : rot 68:sc= -0.49! USER MOD Single : B 82 THR OG1 : rot -82:sc= -0.695 USER MOD Single : B 84 CYS SG : rot -25:sc= -0.127 USER MOD ----------------------------------------------------------------- ATOM 31 N GLU A 2 -7.870 1.455 12.309 1.00 0.00 N ATOM 32 CA GLU A 2 -6.692 0.556 12.121 1.00 0.00 C ATOM 33 C GLU A 2 -5.806 1.129 11.012 1.00 0.00 C ATOM 34 O GLU A 2 -4.601 0.975 11.018 1.00 0.00 O ATOM 35 CB GLU A 2 -7.161 -0.847 11.729 1.00 0.00 C ATOM 36 CG GLU A 2 -7.714 -1.559 12.964 1.00 0.00 C ATOM 37 CD GLU A 2 -8.161 -2.972 12.584 1.00 0.00 C ATOM 38 OE1 GLU A 2 -8.830 -3.108 11.573 1.00 0.00 O ATOM 39 OE2 GLU A 2 -7.826 -3.893 13.310 1.00 0.00 O ATOM 0 HA GLU A 2 -6.129 0.491 13.052 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.928 -0.784 10.957 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.332 -1.416 11.308 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.952 -1.605 13.742 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.554 -0.999 13.374 1.00 0.00 H new ATOM 46 N LEU A 3 -6.405 1.790 10.059 1.00 0.00 N ATOM 47 CA LEU A 3 -5.616 2.379 8.940 1.00 0.00 C ATOM 48 C LEU A 3 -4.786 3.563 9.463 1.00 0.00 C ATOM 49 O LEU A 3 -3.810 3.957 8.855 1.00 0.00 O ATOM 50 CB LEU A 3 -6.587 2.859 7.835 1.00 0.00 C ATOM 51 CG LEU A 3 -6.645 1.861 6.658 1.00 0.00 C ATOM 52 CD1 LEU A 3 -5.404 2.036 5.765 1.00 0.00 C ATOM 53 CD2 LEU A 3 -6.736 0.406 7.173 1.00 0.00 C ATOM 0 H LEU A 3 -7.411 1.948 10.007 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.941 1.629 8.528 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.585 2.985 8.256 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.270 3.836 7.470 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.540 2.067 6.071 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.450 1.330 4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.378 3.053 5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.504 1.849 6.352 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.776 -0.278 6.325 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.860 0.180 7.781 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.636 0.289 7.776 1.00 0.00 H new ATOM 65 N GLU A 4 -5.147 4.123 10.586 1.00 0.00 N ATOM 66 CA GLU A 4 -4.350 5.261 11.126 1.00 0.00 C ATOM 67 C GLU A 4 -3.019 4.706 11.623 1.00 0.00 C ATOM 68 O GLU A 4 -2.008 5.380 11.640 1.00 0.00 O ATOM 69 CB GLU A 4 -5.103 5.921 12.283 1.00 0.00 C ATOM 70 CG GLU A 4 -4.210 6.980 12.936 1.00 0.00 C ATOM 71 CD GLU A 4 -5.044 7.835 13.891 1.00 0.00 C ATOM 72 OE1 GLU A 4 -6.175 7.461 14.157 1.00 0.00 O ATOM 73 OE2 GLU A 4 -4.538 8.849 14.342 1.00 0.00 O ATOM 0 H GLU A 4 -5.951 3.845 11.148 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.184 6.010 10.352 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.022 6.380 11.918 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.392 5.170 13.018 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.396 6.500 13.479 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.756 7.609 12.171 1.00 0.00 H new ATOM 80 N LYS A 5 -3.024 3.464 12.015 1.00 0.00 N ATOM 81 CA LYS A 5 -1.773 2.818 12.504 1.00 0.00 C ATOM 82 C LYS A 5 -0.850 2.596 11.307 1.00 0.00 C ATOM 83 O LYS A 5 0.323 2.910 11.337 1.00 0.00 O ATOM 84 CB LYS A 5 -2.084 1.450 13.160 1.00 0.00 C ATOM 85 CG LYS A 5 -3.445 1.456 13.878 1.00 0.00 C ATOM 86 CD LYS A 5 -3.408 2.372 15.113 1.00 0.00 C ATOM 87 CE LYS A 5 -4.822 2.869 15.424 1.00 0.00 C ATOM 88 NZ LYS A 5 -4.809 3.648 16.694 1.00 0.00 N ATOM 0 H LYS A 5 -3.848 2.862 12.018 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.302 3.461 13.247 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.079 0.672 12.397 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -1.298 1.202 13.873 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -4.221 1.794 13.192 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.706 0.442 14.180 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.005 1.830 15.969 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.746 3.218 14.931 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.188 3.491 14.607 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.505 2.024 15.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.770 3.985 16.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -4.477 3.041 17.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.170 4.463 16.595 1.00 0.00 H new ATOM 102 N ALA A 6 -1.384 2.044 10.255 1.00 0.00 N ATOM 103 CA ALA A 6 -0.561 1.776 9.047 1.00 0.00 C ATOM 104 C ALA A 6 -0.057 3.087 8.456 1.00 0.00 C ATOM 105 O ALA A 6 1.126 3.280 8.258 1.00 0.00 O ATOM 106 CB ALA A 6 -1.417 1.048 8.012 1.00 0.00 C ATOM 0 H ALA A 6 -2.362 1.765 10.181 1.00 0.00 H new ATOM 0 HA ALA A 6 0.295 1.160 9.323 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.820 0.848 7.122 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.772 0.106 8.431 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.271 1.670 7.744 1.00 0.00 H new ATOM 112 N MET A 7 -0.945 3.986 8.161 1.00 0.00 N ATOM 113 CA MET A 7 -0.515 5.280 7.569 1.00 0.00 C ATOM 114 C MET A 7 0.598 5.891 8.416 1.00 0.00 C ATOM 115 O MET A 7 1.537 6.461 7.901 1.00 0.00 O ATOM 116 CB MET A 7 -1.699 6.254 7.526 1.00 0.00 C ATOM 117 CG MET A 7 -2.769 5.755 6.549 1.00 0.00 C ATOM 118 SD MET A 7 -4.319 6.643 6.868 1.00 0.00 S ATOM 119 CE MET A 7 -5.044 6.502 5.213 1.00 0.00 C ATOM 0 H MET A 7 -1.950 3.883 8.303 1.00 0.00 H new ATOM 0 HA MET A 7 -0.152 5.100 6.557 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.128 6.358 8.523 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.354 7.242 7.223 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.446 5.919 5.521 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.918 4.682 6.669 1.00 0.00 H new ATOM 0 HE1 MET A 7 -5.837 7.241 5.099 1.00 0.00 H new ATOM 0 HE2 MET A 7 -4.274 6.678 4.462 1.00 0.00 H new ATOM 0 HE3 MET A 7 -5.458 5.502 5.081 1.00 0.00 H new ATOM 129 N VAL A 8 0.506 5.787 9.710 1.00 0.00 N ATOM 130 CA VAL A 8 1.568 6.378 10.572 1.00 0.00 C ATOM 131 C VAL A 8 2.770 5.439 10.606 1.00 0.00 C ATOM 132 O VAL A 8 3.906 5.869 10.572 1.00 0.00 O ATOM 133 CB VAL A 8 1.022 6.580 11.991 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.166 6.938 12.946 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.003 7.716 11.982 1.00 0.00 C ATOM 0 H VAL A 8 -0.253 5.322 10.208 1.00 0.00 H new ATOM 0 HA VAL A 8 1.876 7.342 10.168 1.00 0.00 H new ATOM 0 HB VAL A 8 0.549 5.657 12.328 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.770 7.080 13.951 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.898 6.131 12.955 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.645 7.858 12.612 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.393 7.862 12.989 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.475 8.634 11.641 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.822 7.462 11.309 1.00 0.00 H new ATOM 145 N ALA A 9 2.534 4.163 10.675 1.00 0.00 N ATOM 146 CA ALA A 9 3.668 3.208 10.712 1.00 0.00 C ATOM 147 C ALA A 9 4.465 3.303 9.411 1.00 0.00 C ATOM 148 O ALA A 9 5.669 3.140 9.404 1.00 0.00 O ATOM 149 CB ALA A 9 3.133 1.785 10.879 1.00 0.00 C ATOM 0 H ALA A 9 1.606 3.741 10.707 1.00 0.00 H new ATOM 0 HA ALA A 9 4.318 3.454 11.552 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.967 1.084 10.906 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.570 1.715 11.809 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.481 1.541 10.041 1.00 0.00 H new ATOM 155 N LEU A 10 3.813 3.550 8.301 1.00 0.00 N ATOM 156 CA LEU A 10 4.567 3.630 7.014 1.00 0.00 C ATOM 157 C LEU A 10 5.230 5.004 6.852 1.00 0.00 C ATOM 158 O LEU A 10 6.384 5.083 6.536 1.00 0.00 O ATOM 159 CB LEU A 10 3.612 3.356 5.833 1.00 0.00 C ATOM 160 CG LEU A 10 3.623 1.861 5.483 1.00 0.00 C ATOM 161 CD1 LEU A 10 3.062 1.055 6.652 1.00 0.00 C ATOM 162 CD2 LEU A 10 2.764 1.622 4.244 1.00 0.00 C ATOM 0 H LEU A 10 2.806 3.698 8.231 1.00 0.00 H new ATOM 0 HA LEU A 10 5.353 2.875 7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.601 3.670 6.092 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.915 3.943 4.966 1.00 0.00 H new ATOM 0 HG LEU A 10 4.647 1.545 5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.071 -0.006 6.400 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.675 1.223 7.537 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.039 1.371 6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.772 0.561 3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.741 1.941 4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.165 2.194 3.407 1.00 0.00 H new ATOM 174 N ILE A 11 4.518 6.079 7.048 1.00 0.00 N ATOM 175 CA ILE A 11 5.140 7.431 6.867 1.00 0.00 C ATOM 176 C ILE A 11 6.508 7.461 7.556 1.00 0.00 C ATOM 177 O ILE A 11 7.403 8.176 7.151 1.00 0.00 O ATOM 178 CB ILE A 11 4.222 8.504 7.469 1.00 0.00 C ATOM 179 CG1 ILE A 11 3.021 8.704 6.542 1.00 0.00 C ATOM 180 CG2 ILE A 11 4.978 9.833 7.605 1.00 0.00 C ATOM 181 CD1 ILE A 11 1.951 9.545 7.245 1.00 0.00 C ATOM 0 H ILE A 11 3.536 6.085 7.325 1.00 0.00 H new ATOM 0 HA ILE A 11 5.272 7.633 5.804 1.00 0.00 H new ATOM 0 HB ILE A 11 3.890 8.181 8.456 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.338 9.198 5.624 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.606 7.737 6.257 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.316 10.586 8.033 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.841 9.696 8.257 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.314 10.162 6.622 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.100 9.682 6.578 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.624 9.034 8.151 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.367 10.518 7.507 1.00 0.00 H new ATOM 193 N ASP A 12 6.679 6.682 8.585 1.00 0.00 N ATOM 194 CA ASP A 12 7.994 6.660 9.285 1.00 0.00 C ATOM 195 C ASP A 12 8.976 5.796 8.493 1.00 0.00 C ATOM 196 O ASP A 12 10.086 6.198 8.209 1.00 0.00 O ATOM 197 CB ASP A 12 7.816 6.081 10.690 1.00 0.00 C ATOM 198 CG ASP A 12 9.151 6.132 11.435 1.00 0.00 C ATOM 199 OD1 ASP A 12 9.745 7.197 11.473 1.00 0.00 O ATOM 200 OD2 ASP A 12 9.558 5.106 11.954 1.00 0.00 O ATOM 0 H ASP A 12 5.968 6.061 8.972 1.00 0.00 H new ATOM 0 HA ASP A 12 8.384 7.675 9.361 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.061 6.647 11.235 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.460 5.052 10.629 1.00 0.00 H new ATOM 205 N VAL A 13 8.573 4.613 8.129 1.00 0.00 N ATOM 206 CA VAL A 13 9.472 3.719 7.347 1.00 0.00 C ATOM 207 C VAL A 13 9.502 4.186 5.888 1.00 0.00 C ATOM 208 O VAL A 13 10.463 3.981 5.176 1.00 0.00 O ATOM 209 CB VAL A 13 8.953 2.277 7.436 1.00 0.00 C ATOM 210 CG1 VAL A 13 9.863 1.343 6.636 1.00 0.00 C ATOM 211 CG2 VAL A 13 8.934 1.834 8.905 1.00 0.00 C ATOM 0 H VAL A 13 7.654 4.223 8.340 1.00 0.00 H new ATOM 0 HA VAL A 13 10.483 3.757 7.752 1.00 0.00 H new ATOM 0 HB VAL A 13 7.945 2.233 7.024 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.487 0.322 6.705 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.877 1.655 5.592 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.874 1.385 7.041 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.566 0.810 8.972 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.943 1.884 9.313 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.279 2.493 9.475 1.00 0.00 H new ATOM 221 N PHE A 14 8.452 4.817 5.443 1.00 0.00 N ATOM 222 CA PHE A 14 8.419 5.304 4.034 1.00 0.00 C ATOM 223 C PHE A 14 9.347 6.519 3.900 1.00 0.00 C ATOM 224 O PHE A 14 10.137 6.611 2.982 1.00 0.00 O ATOM 225 CB PHE A 14 6.975 5.685 3.650 1.00 0.00 C ATOM 226 CG PHE A 14 6.975 6.647 2.478 1.00 0.00 C ATOM 227 CD1 PHE A 14 7.679 6.324 1.313 1.00 0.00 C ATOM 228 CD2 PHE A 14 6.287 7.865 2.565 1.00 0.00 C ATOM 229 CE1 PHE A 14 7.695 7.215 0.235 1.00 0.00 C ATOM 230 CE2 PHE A 14 6.305 8.757 1.488 1.00 0.00 C ATOM 231 CZ PHE A 14 7.008 8.432 0.323 1.00 0.00 C ATOM 0 H PHE A 14 7.616 5.017 5.992 1.00 0.00 H new ATOM 0 HA PHE A 14 8.761 4.517 3.362 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.412 4.788 3.392 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.474 6.142 4.503 1.00 0.00 H new ATOM 0 HD1 PHE A 14 8.210 5.386 1.246 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.743 8.115 3.464 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.237 6.964 -0.665 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.776 9.696 1.556 1.00 0.00 H new ATOM 0 HZ PHE A 14 7.021 9.120 -0.509 1.00 0.00 H new ATOM 241 N HIS A 15 9.237 7.461 4.796 1.00 0.00 N ATOM 242 CA HIS A 15 10.090 8.679 4.705 1.00 0.00 C ATOM 243 C HIS A 15 11.535 8.358 5.107 1.00 0.00 C ATOM 244 O HIS A 15 12.469 8.908 4.563 1.00 0.00 O ATOM 245 CB HIS A 15 9.523 9.763 5.633 1.00 0.00 C ATOM 246 CG HIS A 15 10.010 11.120 5.193 1.00 0.00 C ATOM 247 ND1 HIS A 15 9.909 11.785 3.996 1.00 0.00 N flip ATOM 248 CD2 HIS A 15 10.703 11.969 6.041 1.00 0.00 C flip ATOM 249 CE1 HIS A 15 10.528 13.027 4.097 1.00 0.00 C flip ATOM 250 NE2 HIS A 15 10.989 13.087 5.349 1.00 0.00 N flip ATOM 0 H HIS A 15 8.593 7.440 5.587 1.00 0.00 H new ATOM 0 HA HIS A 15 10.090 9.035 3.675 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.433 9.735 5.616 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.831 9.572 6.661 1.00 0.00 H new ATOM 0 HD2 HIS A 15 10.966 11.770 7.069 1.00 0.00 H new ATOM 0 HE1 HIS A 15 10.617 13.780 3.328 1.00 0.00 H new ATOM 0 HE2 HIS A 15 11.496 13.884 5.734 1.00 0.00 H new ATOM 258 N GLN A 16 11.733 7.484 6.055 1.00 0.00 N ATOM 259 CA GLN A 16 13.127 7.159 6.475 1.00 0.00 C ATOM 260 C GLN A 16 13.871 6.483 5.318 1.00 0.00 C ATOM 261 O GLN A 16 15.043 6.717 5.097 1.00 0.00 O ATOM 262 CB GLN A 16 13.092 6.220 7.683 1.00 0.00 C ATOM 263 CG GLN A 16 12.699 7.012 8.935 1.00 0.00 C ATOM 264 CD GLN A 16 13.885 7.860 9.401 1.00 0.00 C ATOM 265 OE1 GLN A 16 14.963 7.775 8.846 1.00 0.00 O ATOM 266 NE2 GLN A 16 13.731 8.681 10.404 1.00 0.00 N ATOM 0 H GLN A 16 10.997 6.984 6.554 1.00 0.00 H new ATOM 0 HA GLN A 16 13.646 8.078 6.747 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.378 5.415 7.510 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.068 5.756 7.825 1.00 0.00 H new ATOM 0 HG2 GLN A 16 11.844 7.653 8.719 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.393 6.330 9.728 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.827 8.753 10.870 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.515 9.251 10.722 1.00 0.00 H new ATOM 275 N TYR A 17 13.196 5.657 4.566 1.00 0.00 N ATOM 276 CA TYR A 17 13.864 4.976 3.417 1.00 0.00 C ATOM 277 C TYR A 17 13.696 5.829 2.161 1.00 0.00 C ATOM 278 O TYR A 17 14.662 6.256 1.560 1.00 0.00 O ATOM 279 CB TYR A 17 13.226 3.595 3.209 1.00 0.00 C ATOM 280 CG TYR A 17 13.797 2.611 4.210 1.00 0.00 C ATOM 281 CD1 TYR A 17 13.348 2.619 5.536 1.00 0.00 C ATOM 282 CD2 TYR A 17 14.774 1.691 3.809 1.00 0.00 C ATOM 283 CE1 TYR A 17 13.875 1.708 6.461 1.00 0.00 C ATOM 284 CE2 TYR A 17 15.300 0.781 4.733 1.00 0.00 C ATOM 285 CZ TYR A 17 14.851 0.790 6.059 1.00 0.00 C ATOM 286 OH TYR A 17 15.370 -0.108 6.970 1.00 0.00 O ATOM 0 H TYR A 17 12.212 5.423 4.696 1.00 0.00 H new ATOM 0 HA TYR A 17 14.927 4.850 3.623 1.00 0.00 H new ATOM 0 HB2 TYR A 17 12.145 3.662 3.327 1.00 0.00 H new ATOM 0 HB3 TYR A 17 13.415 3.246 2.194 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.595 3.328 5.846 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.122 1.684 2.786 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.528 1.715 7.484 1.00 0.00 H new ATOM 0 HE2 TYR A 17 16.053 0.071 4.423 1.00 0.00 H new ATOM 0 HH TYR A 17 14.692 -0.317 7.646 1.00 0.00 H new ATOM 296 N SER A 18 12.486 6.101 1.764 1.00 0.00 N ATOM 297 CA SER A 18 12.288 6.946 0.556 1.00 0.00 C ATOM 298 C SER A 18 13.051 8.257 0.752 1.00 0.00 C ATOM 299 O SER A 18 13.519 8.865 -0.190 1.00 0.00 O ATOM 300 CB SER A 18 10.799 7.247 0.374 1.00 0.00 C ATOM 301 OG SER A 18 10.407 8.248 1.303 1.00 0.00 O ATOM 0 H SER A 18 11.632 5.778 2.219 1.00 0.00 H new ATOM 0 HA SER A 18 12.655 6.423 -0.327 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.606 7.584 -0.645 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.211 6.342 0.527 1.00 0.00 H new ATOM 0 HG SER A 18 9.798 7.859 1.965 1.00 0.00 H new ATOM 307 N GLY A 19 13.175 8.696 1.980 1.00 0.00 N ATOM 308 CA GLY A 19 13.901 9.971 2.262 1.00 0.00 C ATOM 309 C GLY A 19 15.372 9.684 2.580 1.00 0.00 C ATOM 310 O GLY A 19 16.150 10.591 2.800 1.00 0.00 O ATOM 0 H GLY A 19 12.802 8.223 2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.831 10.636 1.401 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.434 10.486 3.101 1.00 0.00 H new ATOM 314 N ARG A 20 15.775 8.440 2.585 1.00 0.00 N ATOM 315 CA ARG A 20 17.206 8.130 2.865 1.00 0.00 C ATOM 316 C ARG A 20 18.061 8.824 1.809 1.00 0.00 C ATOM 317 O ARG A 20 19.103 9.378 2.095 1.00 0.00 O ATOM 318 CB ARG A 20 17.418 6.612 2.781 1.00 0.00 C ATOM 319 CG ARG A 20 18.910 6.254 2.925 1.00 0.00 C ATOM 320 CD ARG A 20 19.107 4.760 2.659 1.00 0.00 C ATOM 321 NE ARG A 20 18.681 3.981 3.853 1.00 0.00 N ATOM 322 CZ ARG A 20 18.617 2.680 3.793 1.00 0.00 C ATOM 323 NH1 ARG A 20 18.918 2.063 2.683 1.00 0.00 N ATOM 324 NH2 ARG A 20 18.251 1.996 4.841 1.00 0.00 N ATOM 0 H ARG A 20 15.179 7.631 2.408 1.00 0.00 H new ATOM 0 HA ARG A 20 17.484 8.477 3.860 1.00 0.00 H new ATOM 0 HB2 ARG A 20 16.844 6.117 3.565 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.042 6.241 1.828 1.00 0.00 H new ATOM 0 HG2 ARG A 20 19.504 6.840 2.224 1.00 0.00 H new ATOM 0 HG3 ARG A 20 19.260 6.505 3.927 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.527 4.456 1.788 1.00 0.00 H new ATOM 0 HD3 ARG A 20 20.153 4.555 2.433 1.00 0.00 H new ATOM 0 HE ARG A 20 18.439 4.464 4.718 1.00 0.00 H new ATOM 0 HH11 ARG A 20 19.203 2.598 1.863 1.00 0.00 H new ATOM 0 HH12 ARG A 20 18.868 1.045 2.636 1.00 0.00 H new ATOM 0 HH21 ARG A 20 18.015 2.479 5.708 1.00 0.00 H new ATOM 0 HH22 ARG A 20 18.201 0.978 4.794 1.00 0.00 H new ATOM 338 N GLU A 21 17.618 8.791 0.586 1.00 0.00 N ATOM 339 CA GLU A 21 18.392 9.445 -0.511 1.00 0.00 C ATOM 340 C GLU A 21 17.440 9.868 -1.633 1.00 0.00 C ATOM 341 O GLU A 21 16.281 9.505 -1.650 1.00 0.00 O ATOM 342 CB GLU A 21 19.437 8.461 -1.053 1.00 0.00 C ATOM 343 CG GLU A 21 18.838 7.054 -1.115 1.00 0.00 C ATOM 344 CD GLU A 21 19.849 6.096 -1.749 1.00 0.00 C ATOM 345 OE1 GLU A 21 20.539 6.515 -2.663 1.00 0.00 O ATOM 346 OE2 GLU A 21 19.916 4.960 -1.308 1.00 0.00 O ATOM 0 H GLU A 21 16.751 8.339 0.294 1.00 0.00 H new ATOM 0 HA GLU A 21 18.898 10.330 -0.124 1.00 0.00 H new ATOM 0 HB2 GLU A 21 19.763 8.772 -2.046 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.319 8.463 -0.413 1.00 0.00 H new ATOM 0 HG2 GLU A 21 18.578 6.714 -0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 21 17.917 7.065 -1.697 1.00 0.00 H new ATOM 353 N GLY A 22 17.926 10.642 -2.570 1.00 0.00 N ATOM 354 CA GLY A 22 17.061 11.104 -3.697 1.00 0.00 C ATOM 355 C GLY A 22 16.485 12.479 -3.363 1.00 0.00 C ATOM 356 O GLY A 22 16.906 13.127 -2.425 1.00 0.00 O ATOM 0 H GLY A 22 18.889 10.975 -2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.641 11.154 -4.618 1.00 0.00 H new ATOM 0 HA3 GLY A 22 16.254 10.391 -3.867 1.00 0.00 H new ATOM 360 N ASP A 23 15.523 12.931 -4.120 1.00 0.00 N ATOM 361 CA ASP A 23 14.923 14.264 -3.838 1.00 0.00 C ATOM 362 C ASP A 23 14.532 14.334 -2.362 1.00 0.00 C ATOM 363 O ASP A 23 15.118 15.065 -1.589 1.00 0.00 O ATOM 364 CB ASP A 23 13.679 14.460 -4.706 1.00 0.00 C ATOM 365 CG ASP A 23 14.026 14.173 -6.168 1.00 0.00 C ATOM 366 OD1 ASP A 23 14.671 15.009 -6.778 1.00 0.00 O ATOM 367 OD2 ASP A 23 13.641 13.121 -6.651 1.00 0.00 O ATOM 0 H ASP A 23 15.128 12.436 -4.919 1.00 0.00 H new ATOM 0 HA ASP A 23 15.646 15.047 -4.065 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.882 13.795 -4.373 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.308 15.480 -4.603 1.00 0.00 H new ATOM 372 N LYS A 24 13.548 13.573 -1.961 1.00 0.00 N ATOM 373 CA LYS A 24 13.129 13.594 -0.531 1.00 0.00 C ATOM 374 C LYS A 24 11.967 12.608 -0.325 1.00 0.00 C ATOM 375 O LYS A 24 11.551 12.360 0.789 1.00 0.00 O ATOM 376 CB LYS A 24 12.693 15.036 -0.144 1.00 0.00 C ATOM 377 CG LYS A 24 13.595 15.607 0.964 1.00 0.00 C ATOM 378 CD LYS A 24 13.230 14.967 2.306 1.00 0.00 C ATOM 379 CE LYS A 24 14.129 15.538 3.404 1.00 0.00 C ATOM 380 NZ LYS A 24 13.791 14.896 4.706 1.00 0.00 N ATOM 0 H LYS A 24 13.018 12.940 -2.561 1.00 0.00 H new ATOM 0 HA LYS A 24 13.962 13.294 0.105 1.00 0.00 H new ATOM 0 HB2 LYS A 24 12.737 15.681 -1.022 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.657 15.028 0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 24 14.642 15.413 0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.476 16.689 1.022 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.183 15.161 2.541 1.00 0.00 H new ATOM 0 HD3 LYS A 24 13.349 13.885 2.250 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.176 15.361 3.160 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.996 16.618 3.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.437 15.617 5.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.058 14.173 4.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 14.642 14.450 5.104 1.00 0.00 H new ATOM 394 N HIS A 25 11.434 12.045 -1.381 1.00 0.00 N ATOM 395 CA HIS A 25 10.299 11.089 -1.209 1.00 0.00 C ATOM 396 C HIS A 25 10.240 10.092 -2.370 1.00 0.00 C ATOM 397 O HIS A 25 9.185 9.852 -2.922 1.00 0.00 O ATOM 398 CB HIS A 25 8.974 11.862 -1.152 1.00 0.00 C ATOM 399 CG HIS A 25 9.125 13.093 -0.301 1.00 0.00 C ATOM 400 ND1 HIS A 25 9.155 14.429 -0.620 1.00 0.00 N flip ATOM 401 CD2 HIS A 25 9.247 13.031 1.082 1.00 0.00 C flip ATOM 402 CE1 HIS A 25 9.290 15.180 0.542 1.00 0.00 C flip ATOM 403 NE2 HIS A 25 9.342 14.294 1.538 1.00 0.00 N flip ATOM 0 H HIS A 25 11.732 12.204 -2.344 1.00 0.00 H new ATOM 0 HA HIS A 25 10.457 10.542 -0.280 1.00 0.00 H new ATOM 0 HB2 HIS A 25 8.665 12.143 -2.159 1.00 0.00 H new ATOM 0 HB3 HIS A 25 8.190 11.224 -0.745 1.00 0.00 H new ATOM 0 HD1 HIS A 25 9.089 14.811 -1.564 1.00 0.00 H new ATOM 0 HD2 HIS A 25 9.263 12.133 1.682 1.00 0.00 H new ATOM 0 HE1 HIS A 25 9.342 16.256 0.622 1.00 0.00 H new ATOM 411 N LYS A 26 11.346 9.490 -2.737 1.00 0.00 N ATOM 412 CA LYS A 26 11.337 8.488 -3.849 1.00 0.00 C ATOM 413 C LYS A 26 12.083 7.246 -3.364 1.00 0.00 C ATOM 414 O LYS A 26 13.021 7.340 -2.598 1.00 0.00 O ATOM 415 CB LYS A 26 12.054 9.072 -5.070 1.00 0.00 C ATOM 416 CG LYS A 26 11.815 8.183 -6.303 1.00 0.00 C ATOM 417 CD LYS A 26 12.121 8.970 -7.592 1.00 0.00 C ATOM 418 CE LYS A 26 10.881 9.753 -8.042 1.00 0.00 C ATOM 419 NZ LYS A 26 11.236 10.621 -9.200 1.00 0.00 N ATOM 0 H LYS A 26 12.259 9.651 -2.312 1.00 0.00 H new ATOM 0 HA LYS A 26 10.314 8.235 -4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.692 10.081 -5.265 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.123 9.150 -4.870 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.448 7.297 -6.250 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.782 7.836 -6.316 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.950 9.656 -7.420 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.433 8.284 -8.380 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.084 9.064 -8.321 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.503 10.361 -7.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.396 11.152 -9.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.983 11.287 -8.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.577 10.030 -9.985 1.00 0.00 H new ATOM 433 N LEU A 27 11.659 6.078 -3.772 1.00 0.00 N ATOM 434 CA LEU A 27 12.330 4.827 -3.296 1.00 0.00 C ATOM 435 C LEU A 27 13.419 4.383 -4.288 1.00 0.00 C ATOM 436 O LEU A 27 13.173 4.173 -5.459 1.00 0.00 O ATOM 437 CB LEU A 27 11.247 3.727 -3.152 1.00 0.00 C ATOM 438 CG LEU A 27 11.584 2.656 -2.077 1.00 0.00 C ATOM 439 CD1 LEU A 27 12.697 1.725 -2.558 1.00 0.00 C ATOM 440 CD2 LEU A 27 11.960 3.302 -0.730 1.00 0.00 C ATOM 0 H LEU A 27 10.879 5.934 -4.413 1.00 0.00 H new ATOM 0 HA LEU A 27 12.814 5.006 -2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.296 4.196 -2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.113 3.233 -4.114 1.00 0.00 H new ATOM 0 HG LEU A 27 10.684 2.061 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.912 0.986 -1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.378 1.217 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.595 2.307 -2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.189 2.522 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.833 3.941 -0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 27 11.124 3.901 -0.368 1.00 0.00 H new ATOM 452 N LYS A 28 14.620 4.196 -3.788 1.00 0.00 N ATOM 453 CA LYS A 28 15.753 3.714 -4.637 1.00 0.00 C ATOM 454 C LYS A 28 16.040 2.252 -4.278 1.00 0.00 C ATOM 455 O LYS A 28 15.786 1.816 -3.178 1.00 0.00 O ATOM 456 CB LYS A 28 16.997 4.554 -4.360 1.00 0.00 C ATOM 457 CG LYS A 28 16.822 5.946 -4.965 1.00 0.00 C ATOM 458 CD LYS A 28 18.164 6.668 -4.943 1.00 0.00 C ATOM 459 CE LYS A 28 17.978 8.116 -5.407 1.00 0.00 C ATOM 460 NZ LYS A 28 16.901 8.178 -6.436 1.00 0.00 N ATOM 0 H LYS A 28 14.864 4.361 -2.811 1.00 0.00 H new ATOM 0 HA LYS A 28 15.491 3.801 -5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 28 17.163 4.632 -3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 28 17.877 4.070 -4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 28 16.453 5.868 -5.988 1.00 0.00 H new ATOM 0 HG3 LYS A 28 16.081 6.512 -4.400 1.00 0.00 H new ATOM 0 HD2 LYS A 28 18.582 6.649 -3.936 1.00 0.00 H new ATOM 0 HD3 LYS A 28 18.874 6.156 -5.592 1.00 0.00 H new ATOM 0 HE2 LYS A 28 17.721 8.750 -4.558 1.00 0.00 H new ATOM 0 HE3 LYS A 28 18.911 8.499 -5.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.923 9.105 -6.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 17.051 7.428 -7.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.976 8.044 -5.979 1.00 0.00 H new ATOM 474 N LYS A 29 16.562 1.488 -5.190 1.00 0.00 N ATOM 475 CA LYS A 29 16.845 0.055 -4.880 1.00 0.00 C ATOM 476 C LYS A 29 17.563 -0.067 -3.520 1.00 0.00 C ATOM 477 O LYS A 29 17.206 -0.882 -2.693 1.00 0.00 O ATOM 478 CB LYS A 29 17.721 -0.536 -6.001 1.00 0.00 C ATOM 479 CG LYS A 29 17.520 -2.057 -6.105 1.00 0.00 C ATOM 480 CD LYS A 29 18.067 -2.556 -7.446 1.00 0.00 C ATOM 481 CE LYS A 29 19.548 -2.189 -7.577 1.00 0.00 C ATOM 482 NZ LYS A 29 19.673 -0.759 -7.981 1.00 0.00 N ATOM 0 H LYS A 29 16.806 1.787 -6.134 1.00 0.00 H new ATOM 0 HA LYS A 29 15.907 -0.497 -4.820 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.470 -0.065 -6.952 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.770 -0.316 -5.804 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.031 -2.559 -5.283 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.461 -2.301 -6.019 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.944 -3.637 -7.519 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.501 -2.115 -8.266 1.00 0.00 H new ATOM 0 HE2 LYS A 29 20.060 -2.356 -6.629 1.00 0.00 H new ATOM 0 HE3 LYS A 29 20.028 -2.830 -8.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.416 -0.666 -8.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 18.768 -0.428 -8.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 19.923 -0.184 -7.151 1.00 0.00 H new ATOM 496 N SER A 30 18.573 0.728 -3.291 1.00 0.00 N ATOM 497 CA SER A 30 19.323 0.653 -1.995 1.00 0.00 C ATOM 498 C SER A 30 18.355 0.663 -0.800 1.00 0.00 C ATOM 499 O SER A 30 18.733 0.372 0.316 1.00 0.00 O ATOM 500 CB SER A 30 20.264 1.854 -1.888 1.00 0.00 C ATOM 501 OG SER A 30 21.349 1.683 -2.789 1.00 0.00 O ATOM 0 H SER A 30 18.916 1.431 -3.946 1.00 0.00 H new ATOM 0 HA SER A 30 19.891 -0.277 -1.976 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.726 2.773 -2.119 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.635 1.950 -0.868 1.00 0.00 H new ATOM 0 HG SER A 30 21.953 2.452 -2.724 1.00 0.00 H new ATOM 507 N GLU A 31 17.103 0.947 -1.039 1.00 0.00 N ATOM 508 CA GLU A 31 16.104 0.937 0.075 1.00 0.00 C ATOM 509 C GLU A 31 15.326 -0.359 0.004 1.00 0.00 C ATOM 510 O GLU A 31 15.100 -1.015 0.989 1.00 0.00 O ATOM 511 CB GLU A 31 15.147 2.119 -0.070 1.00 0.00 C ATOM 512 CG GLU A 31 15.786 3.399 0.469 1.00 0.00 C ATOM 513 CD GLU A 31 16.832 3.921 -0.518 1.00 0.00 C ATOM 514 OE1 GLU A 31 17.814 3.231 -0.734 1.00 0.00 O ATOM 515 OE2 GLU A 31 16.635 5.007 -1.036 1.00 0.00 O ATOM 0 H GLU A 31 16.726 1.186 -1.956 1.00 0.00 H new ATOM 0 HA GLU A 31 16.616 1.019 1.034 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.882 2.252 -1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.222 1.913 0.469 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.019 4.156 0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 31 16.252 3.203 1.435 1.00 0.00 H new ATOM 522 N LEU A 32 14.911 -0.727 -1.155 1.00 0.00 N ATOM 523 CA LEU A 32 14.139 -1.986 -1.283 1.00 0.00 C ATOM 524 C LEU A 32 14.993 -3.153 -0.776 1.00 0.00 C ATOM 525 O LEU A 32 14.592 -3.881 0.109 1.00 0.00 O ATOM 526 CB LEU A 32 13.720 -2.181 -2.763 1.00 0.00 C ATOM 527 CG LEU A 32 12.214 -2.475 -2.875 1.00 0.00 C ATOM 528 CD1 LEU A 32 11.775 -2.363 -4.338 1.00 0.00 C ATOM 529 CD2 LEU A 32 11.934 -3.891 -2.365 1.00 0.00 C ATOM 0 H LEU A 32 15.068 -0.217 -2.024 1.00 0.00 H new ATOM 0 HA LEU A 32 13.232 -1.943 -0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.963 -1.285 -3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.288 -3.002 -3.200 1.00 0.00 H new ATOM 0 HG LEU A 32 11.658 -1.754 -2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.708 -2.572 -4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.975 -1.355 -4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.330 -3.082 -4.940 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.867 -4.102 -2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.491 -4.611 -2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.244 -3.970 -1.323 1.00 0.00 H new ATOM 541 N LYS A 33 16.167 -3.334 -1.306 1.00 0.00 N ATOM 542 CA LYS A 33 17.023 -4.443 -0.824 1.00 0.00 C ATOM 543 C LYS A 33 17.368 -4.207 0.653 1.00 0.00 C ATOM 544 O LYS A 33 17.416 -5.127 1.445 1.00 0.00 O ATOM 545 CB LYS A 33 18.300 -4.455 -1.666 1.00 0.00 C ATOM 546 CG LYS A 33 18.960 -5.836 -1.621 1.00 0.00 C ATOM 547 CD LYS A 33 20.310 -5.775 -2.355 1.00 0.00 C ATOM 548 CE LYS A 33 21.418 -5.336 -1.390 1.00 0.00 C ATOM 549 NZ LYS A 33 22.732 -5.385 -2.091 1.00 0.00 N ATOM 0 H LYS A 33 16.568 -2.763 -2.050 1.00 0.00 H new ATOM 0 HA LYS A 33 16.508 -5.399 -0.916 1.00 0.00 H new ATOM 0 HB2 LYS A 33 18.065 -4.191 -2.697 1.00 0.00 H new ATOM 0 HB3 LYS A 33 18.994 -3.701 -1.295 1.00 0.00 H new ATOM 0 HG2 LYS A 33 19.108 -6.148 -0.587 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.312 -6.578 -2.088 1.00 0.00 H new ATOM 0 HD2 LYS A 33 20.549 -6.752 -2.774 1.00 0.00 H new ATOM 0 HD3 LYS A 33 20.247 -5.077 -3.190 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.223 -4.326 -1.030 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.435 -5.988 -0.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 23.485 -5.088 -1.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 22.917 -6.356 -2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 22.712 -4.746 -2.911 1.00 0.00 H new ATOM 563 N GLU A 34 17.633 -2.981 1.017 1.00 0.00 N ATOM 564 CA GLU A 34 18.005 -2.698 2.439 1.00 0.00 C ATOM 565 C GLU A 34 16.763 -2.772 3.328 1.00 0.00 C ATOM 566 O GLU A 34 16.836 -3.133 4.487 1.00 0.00 O ATOM 567 CB GLU A 34 18.639 -1.308 2.545 1.00 0.00 C ATOM 568 CG GLU A 34 19.160 -1.076 3.969 1.00 0.00 C ATOM 569 CD GLU A 34 20.313 -2.039 4.260 1.00 0.00 C ATOM 570 OE1 GLU A 34 20.915 -2.516 3.312 1.00 0.00 O ATOM 571 OE2 GLU A 34 20.573 -2.285 5.427 1.00 0.00 O ATOM 0 H GLU A 34 17.609 -2.169 0.400 1.00 0.00 H new ATOM 0 HA GLU A 34 18.726 -3.445 2.773 1.00 0.00 H new ATOM 0 HB2 GLU A 34 19.457 -1.217 1.830 1.00 0.00 H new ATOM 0 HB3 GLU A 34 17.905 -0.544 2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 34 19.498 -0.045 4.080 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.356 -1.227 4.690 1.00 0.00 H new ATOM 578 N LEU A 35 15.629 -2.438 2.796 1.00 0.00 N ATOM 579 CA LEU A 35 14.379 -2.488 3.598 1.00 0.00 C ATOM 580 C LEU A 35 13.934 -3.949 3.722 1.00 0.00 C ATOM 581 O LEU A 35 13.355 -4.352 4.711 1.00 0.00 O ATOM 582 CB LEU A 35 13.303 -1.651 2.886 1.00 0.00 C ATOM 583 CG LEU A 35 11.991 -1.636 3.697 1.00 0.00 C ATOM 584 CD1 LEU A 35 12.060 -0.571 4.795 1.00 0.00 C ATOM 585 CD2 LEU A 35 10.817 -1.309 2.767 1.00 0.00 C ATOM 0 H LEU A 35 15.510 -2.129 1.831 1.00 0.00 H new ATOM 0 HA LEU A 35 14.540 -2.081 4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.662 -0.631 2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.117 -2.060 1.893 1.00 0.00 H new ATOM 0 HG LEU A 35 11.849 -2.617 4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.128 -0.570 5.360 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.891 -0.792 5.465 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.210 0.409 4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.890 -1.299 3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.974 -0.330 2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.751 -2.065 1.985 1.00 0.00 H new ATOM 597 N ILE A 36 14.210 -4.745 2.727 1.00 0.00 N ATOM 598 CA ILE A 36 13.815 -6.181 2.786 1.00 0.00 C ATOM 599 C ILE A 36 14.690 -6.891 3.827 1.00 0.00 C ATOM 600 O ILE A 36 14.232 -7.739 4.567 1.00 0.00 O ATOM 601 CB ILE A 36 14.012 -6.806 1.395 1.00 0.00 C ATOM 602 CG1 ILE A 36 12.891 -6.326 0.468 1.00 0.00 C ATOM 603 CG2 ILE A 36 13.976 -8.336 1.482 1.00 0.00 C ATOM 604 CD1 ILE A 36 13.261 -6.634 -0.984 1.00 0.00 C ATOM 0 H ILE A 36 14.693 -4.463 1.874 1.00 0.00 H new ATOM 0 HA ILE A 36 12.769 -6.283 3.074 1.00 0.00 H new ATOM 0 HB ILE A 36 14.982 -6.500 1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 36 11.954 -6.819 0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 36 12.734 -5.255 0.595 1.00 0.00 H new ATOM 0 HG21 ILE A 36 14.117 -8.760 0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.773 -8.682 2.141 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.013 -8.655 1.879 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.463 -6.292 -1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 36 14.188 -6.121 -1.240 1.00 0.00 H new ATOM 0 HD13 ILE A 36 13.396 -7.709 -1.105 1.00 0.00 H new ATOM 616 N ASN A 37 15.947 -6.550 3.879 1.00 0.00 N ATOM 617 CA ASN A 37 16.870 -7.198 4.858 1.00 0.00 C ATOM 618 C ASN A 37 16.744 -6.546 6.243 1.00 0.00 C ATOM 619 O ASN A 37 17.092 -7.139 7.245 1.00 0.00 O ATOM 620 CB ASN A 37 18.311 -7.047 4.361 1.00 0.00 C ATOM 621 CG ASN A 37 19.280 -7.609 5.404 1.00 0.00 C ATOM 622 OD1 ASN A 37 19.888 -8.639 5.192 1.00 0.00 O ATOM 623 ND2 ASN A 37 19.450 -6.972 6.531 1.00 0.00 N ATOM 0 H ASN A 37 16.380 -5.845 3.282 1.00 0.00 H new ATOM 0 HA ASN A 37 16.605 -8.252 4.944 1.00 0.00 H new ATOM 0 HB2 ASN A 37 18.436 -7.573 3.414 1.00 0.00 H new ATOM 0 HB3 ASN A 37 18.533 -5.996 4.174 1.00 0.00 H new ATOM 0 HD21 ASN A 37 20.093 -7.339 7.232 1.00 0.00 H new ATOM 0 HD22 ASN A 37 18.940 -6.107 6.710 1.00 0.00 H new ATOM 630 N ASN A 38 16.297 -5.316 6.305 1.00 0.00 N ATOM 631 CA ASN A 38 16.200 -4.612 7.629 1.00 0.00 C ATOM 632 C ASN A 38 14.770 -4.630 8.186 1.00 0.00 C ATOM 633 O ASN A 38 14.571 -4.821 9.370 1.00 0.00 O ATOM 634 CB ASN A 38 16.642 -3.159 7.450 1.00 0.00 C ATOM 635 CG ASN A 38 18.117 -3.118 7.045 1.00 0.00 C ATOM 636 OD1 ASN A 38 18.719 -4.142 6.793 1.00 0.00 O ATOM 637 ND2 ASN A 38 18.729 -1.967 6.972 1.00 0.00 N ATOM 0 H ASN A 38 15.995 -4.767 5.500 1.00 0.00 H new ATOM 0 HA ASN A 38 16.844 -5.135 8.336 1.00 0.00 H new ATOM 0 HB2 ASN A 38 16.032 -2.674 6.688 1.00 0.00 H new ATOM 0 HB3 ASN A 38 16.493 -2.606 8.378 1.00 0.00 H new ATOM 0 HD21 ASN A 38 19.712 -1.928 6.703 1.00 0.00 H new ATOM 0 HD22 ASN A 38 18.224 -1.106 7.184 1.00 0.00 H new ATOM 644 N GLU A 39 13.774 -4.408 7.366 1.00 0.00 N ATOM 645 CA GLU A 39 12.362 -4.385 7.881 1.00 0.00 C ATOM 646 C GLU A 39 11.660 -5.716 7.591 1.00 0.00 C ATOM 647 O GLU A 39 11.371 -6.483 8.487 1.00 0.00 O ATOM 648 CB GLU A 39 11.606 -3.242 7.187 1.00 0.00 C ATOM 649 CG GLU A 39 10.382 -2.839 8.016 1.00 0.00 C ATOM 650 CD GLU A 39 10.838 -2.124 9.289 1.00 0.00 C ATOM 651 OE1 GLU A 39 12.004 -1.773 9.363 1.00 0.00 O ATOM 652 OE2 GLU A 39 10.013 -1.940 10.169 1.00 0.00 O ATOM 0 H GLU A 39 13.872 -4.242 6.364 1.00 0.00 H new ATOM 0 HA GLU A 39 12.374 -4.232 8.960 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.266 -2.384 7.059 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.293 -3.555 6.191 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.734 -2.186 7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.797 -3.722 8.272 1.00 0.00 H new ATOM 659 N LEU A 40 11.371 -5.988 6.349 1.00 0.00 N ATOM 660 CA LEU A 40 10.673 -7.262 6.008 1.00 0.00 C ATOM 661 C LEU A 40 11.667 -8.425 6.076 1.00 0.00 C ATOM 662 O LEU A 40 11.618 -9.339 5.279 1.00 0.00 O ATOM 663 CB LEU A 40 10.066 -7.166 4.592 1.00 0.00 C ATOM 664 CG LEU A 40 9.655 -5.718 4.273 1.00 0.00 C ATOM 665 CD1 LEU A 40 8.998 -5.678 2.892 1.00 0.00 C ATOM 666 CD2 LEU A 40 8.653 -5.202 5.316 1.00 0.00 C ATOM 0 H LEU A 40 11.587 -5.385 5.555 1.00 0.00 H new ATOM 0 HA LEU A 40 9.869 -7.436 6.724 1.00 0.00 H new ATOM 0 HB2 LEU A 40 10.791 -7.514 3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.197 -7.820 4.518 1.00 0.00 H new ATOM 0 HG LEU A 40 10.543 -5.087 4.291 1.00 0.00 H new ATOM 0 HD11 LEU A 40 8.704 -4.655 2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.705 -6.032 2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.116 -6.319 2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 40 8.373 -4.176 5.075 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.764 -5.832 5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.110 -5.231 6.305 1.00 0.00 H new ATOM 678 N SER A 41 12.570 -8.407 7.022 1.00 0.00 N ATOM 679 CA SER A 41 13.561 -9.518 7.133 1.00 0.00 C ATOM 680 C SER A 41 12.992 -10.635 8.014 1.00 0.00 C ATOM 681 O SER A 41 13.458 -11.756 7.987 1.00 0.00 O ATOM 682 CB SER A 41 14.852 -8.976 7.759 1.00 0.00 C ATOM 683 OG SER A 41 14.842 -9.222 9.160 1.00 0.00 O ATOM 0 H SER A 41 12.664 -7.671 7.722 1.00 0.00 H new ATOM 0 HA SER A 41 13.772 -9.920 6.142 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.718 -9.454 7.302 1.00 0.00 H new ATOM 0 HB3 SER A 41 14.940 -7.906 7.568 1.00 0.00 H new ATOM 0 HG SER A 41 15.668 -8.877 9.559 1.00 0.00 H new ATOM 689 N HIS A 42 11.983 -10.341 8.795 1.00 0.00 N ATOM 690 CA HIS A 42 11.385 -11.388 9.675 1.00 0.00 C ATOM 691 C HIS A 42 10.297 -12.131 8.899 1.00 0.00 C ATOM 692 O HIS A 42 10.018 -13.286 9.155 1.00 0.00 O ATOM 693 CB HIS A 42 10.767 -10.723 10.909 1.00 0.00 C ATOM 694 CG HIS A 42 11.859 -10.151 11.772 1.00 0.00 C ATOM 695 ND1 HIS A 42 12.194 -10.697 13.005 1.00 0.00 N ATOM 696 CD2 HIS A 42 12.701 -9.081 11.595 1.00 0.00 C ATOM 697 CE1 HIS A 42 13.198 -9.959 13.516 1.00 0.00 C ATOM 698 NE2 HIS A 42 13.542 -8.965 12.695 1.00 0.00 N ATOM 0 H HIS A 42 11.548 -9.421 8.860 1.00 0.00 H new ATOM 0 HA HIS A 42 12.157 -12.090 9.990 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.079 -9.934 10.604 1.00 0.00 H new ATOM 0 HB3 HIS A 42 10.186 -11.451 11.475 1.00 0.00 H new ATOM 0 HD2 HIS A 42 12.708 -8.430 10.733 1.00 0.00 H new ATOM 0 HE1 HIS A 42 13.666 -10.148 14.471 1.00 0.00 H new ATOM 0 HE2 HIS A 42 14.270 -8.266 12.844 1.00 0.00 H new ATOM 707 N PHE A 43 9.680 -11.471 7.950 1.00 0.00 N ATOM 708 CA PHE A 43 8.603 -12.120 7.139 1.00 0.00 C ATOM 709 C PHE A 43 9.132 -12.410 5.734 1.00 0.00 C ATOM 710 O PHE A 43 8.860 -13.449 5.164 1.00 0.00 O ATOM 711 CB PHE A 43 7.405 -11.173 7.043 1.00 0.00 C ATOM 712 CG PHE A 43 6.907 -10.854 8.431 1.00 0.00 C ATOM 713 CD1 PHE A 43 6.020 -11.726 9.073 1.00 0.00 C ATOM 714 CD2 PHE A 43 7.332 -9.686 9.077 1.00 0.00 C ATOM 715 CE1 PHE A 43 5.558 -11.431 10.361 1.00 0.00 C ATOM 716 CE2 PHE A 43 6.870 -9.392 10.366 1.00 0.00 C ATOM 717 CZ PHE A 43 5.983 -10.264 11.007 1.00 0.00 C ATOM 0 H PHE A 43 9.878 -10.502 7.700 1.00 0.00 H new ATOM 0 HA PHE A 43 8.297 -13.052 7.614 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.692 -10.256 6.528 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.610 -11.633 6.456 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.692 -12.626 8.575 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.016 -9.013 8.581 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.874 -12.104 10.856 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.198 -8.492 10.865 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.626 -10.037 12.001 1.00 0.00 H new ATOM 727 N LEU A 44 9.886 -11.497 5.168 1.00 0.00 N ATOM 728 CA LEU A 44 10.441 -11.710 3.792 1.00 0.00 C ATOM 729 C LEU A 44 11.920 -12.102 3.900 1.00 0.00 C ATOM 730 O LEU A 44 12.703 -11.438 4.550 1.00 0.00 O ATOM 731 CB LEU A 44 10.287 -10.407 2.973 1.00 0.00 C ATOM 732 CG LEU A 44 10.004 -10.721 1.490 1.00 0.00 C ATOM 733 CD1 LEU A 44 8.638 -11.428 1.331 1.00 0.00 C ATOM 734 CD2 LEU A 44 10.010 -9.405 0.696 1.00 0.00 C ATOM 0 H LEU A 44 10.142 -10.610 5.602 1.00 0.00 H new ATOM 0 HA LEU A 44 9.898 -12.510 3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.474 -9.808 3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.196 -9.811 3.056 1.00 0.00 H new ATOM 0 HG LEU A 44 10.776 -11.390 1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.459 -11.640 0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.644 -12.362 1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.847 -10.781 1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.811 -9.613 -0.355 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.239 -8.741 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.984 -8.926 0.793 1.00 0.00 H new ATOM 746 N GLU A 45 12.304 -13.179 3.269 1.00 0.00 N ATOM 747 CA GLU A 45 13.726 -13.621 3.337 1.00 0.00 C ATOM 748 C GLU A 45 14.641 -12.482 2.888 1.00 0.00 C ATOM 749 O GLU A 45 14.347 -11.767 1.951 1.00 0.00 O ATOM 750 CB GLU A 45 13.931 -14.830 2.419 1.00 0.00 C ATOM 751 CG GLU A 45 13.073 -16.000 2.908 1.00 0.00 C ATOM 752 CD GLU A 45 13.584 -16.477 4.268 1.00 0.00 C ATOM 753 OE1 GLU A 45 14.728 -16.896 4.336 1.00 0.00 O ATOM 754 OE2 GLU A 45 12.822 -16.418 5.219 1.00 0.00 O ATOM 0 H GLU A 45 11.693 -13.773 2.708 1.00 0.00 H new ATOM 0 HA GLU A 45 13.968 -13.897 4.363 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.661 -14.571 1.395 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.983 -15.117 2.409 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.031 -15.691 2.988 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.109 -16.817 2.187 1.00 0.00 H new ATOM 761 N GLU A 46 15.754 -12.311 3.547 1.00 0.00 N ATOM 762 CA GLU A 46 16.689 -11.221 3.154 1.00 0.00 C ATOM 763 C GLU A 46 17.350 -11.585 1.821 1.00 0.00 C ATOM 764 O GLU A 46 18.225 -12.424 1.761 1.00 0.00 O ATOM 765 CB GLU A 46 17.765 -11.043 4.238 1.00 0.00 C ATOM 766 CG GLU A 46 18.214 -12.413 4.780 1.00 0.00 C ATOM 767 CD GLU A 46 17.268 -12.877 5.893 1.00 0.00 C ATOM 768 OE1 GLU A 46 17.401 -12.383 7.000 1.00 0.00 O ATOM 769 OE2 GLU A 46 16.429 -13.718 5.617 1.00 0.00 O ATOM 0 H GLU A 46 16.055 -12.878 4.339 1.00 0.00 H new ATOM 0 HA GLU A 46 16.138 -10.287 3.046 1.00 0.00 H new ATOM 0 HB2 GLU A 46 18.621 -10.510 3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.373 -10.434 5.052 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.225 -13.146 3.973 1.00 0.00 H new ATOM 0 HG3 GLU A 46 19.232 -12.345 5.163 1.00 0.00 H new ATOM 776 N ILE A 47 16.937 -10.967 0.748 1.00 0.00 N ATOM 777 CA ILE A 47 17.551 -11.298 -0.568 1.00 0.00 C ATOM 778 C ILE A 47 19.034 -10.916 -0.558 1.00 0.00 C ATOM 779 O ILE A 47 19.410 -9.846 -0.125 1.00 0.00 O ATOM 780 CB ILE A 47 16.837 -10.542 -1.701 1.00 0.00 C ATOM 781 CG1 ILE A 47 16.745 -9.045 -1.376 1.00 0.00 C ATOM 782 CG2 ILE A 47 15.424 -11.097 -1.884 1.00 0.00 C ATOM 783 CD1 ILE A 47 16.210 -8.289 -2.597 1.00 0.00 C ATOM 0 H ILE A 47 16.208 -10.254 0.725 1.00 0.00 H new ATOM 0 HA ILE A 47 17.449 -12.370 -0.739 1.00 0.00 H new ATOM 0 HB ILE A 47 17.412 -10.676 -2.617 1.00 0.00 H new ATOM 0 HG12 ILE A 47 16.088 -8.887 -0.521 1.00 0.00 H new ATOM 0 HG13 ILE A 47 17.727 -8.661 -1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 47 14.923 -10.558 -2.688 1.00 0.00 H new ATOM 0 HG22 ILE A 47 15.479 -12.156 -2.136 1.00 0.00 H new ATOM 0 HG23 ILE A 47 14.862 -10.973 -0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 47 16.144 -7.226 -2.367 1.00 0.00 H new ATOM 0 HD12 ILE A 47 16.884 -8.437 -3.441 1.00 0.00 H new ATOM 0 HD13 ILE A 47 15.220 -8.666 -2.854 1.00 0.00 H new ATOM 795 N LYS A 48 19.881 -11.779 -1.052 1.00 0.00 N ATOM 796 CA LYS A 48 21.340 -11.461 -1.102 1.00 0.00 C ATOM 797 C LYS A 48 21.637 -10.945 -2.510 1.00 0.00 C ATOM 798 O LYS A 48 22.677 -10.377 -2.779 1.00 0.00 O ATOM 799 CB LYS A 48 22.161 -12.736 -0.822 1.00 0.00 C ATOM 800 CG LYS A 48 22.406 -12.891 0.687 1.00 0.00 C ATOM 801 CD LYS A 48 21.070 -12.986 1.439 1.00 0.00 C ATOM 802 CE LYS A 48 20.264 -14.196 0.947 1.00 0.00 C ATOM 803 NZ LYS A 48 19.341 -14.644 2.028 1.00 0.00 N ATOM 0 H LYS A 48 19.626 -12.694 -1.424 1.00 0.00 H new ATOM 0 HA LYS A 48 21.605 -10.716 -0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.631 -13.609 -1.203 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.114 -12.686 -1.349 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.001 -13.785 0.875 1.00 0.00 H new ATOM 0 HG3 LYS A 48 22.980 -12.042 1.058 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.254 -13.074 2.510 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.495 -12.072 1.289 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.697 -13.931 0.055 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.937 -15.007 0.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.077 -15.637 1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.816 -14.555 2.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.485 -14.053 2.021 1.00 0.00 H new ATOM 817 N GLU A 49 20.705 -11.152 -3.406 1.00 0.00 N ATOM 818 CA GLU A 49 20.868 -10.700 -4.820 1.00 0.00 C ATOM 819 C GLU A 49 19.696 -9.796 -5.194 1.00 0.00 C ATOM 820 O GLU A 49 18.548 -10.181 -5.091 1.00 0.00 O ATOM 821 CB GLU A 49 20.868 -11.922 -5.741 1.00 0.00 C ATOM 822 CG GLU A 49 22.021 -12.850 -5.352 1.00 0.00 C ATOM 823 CD GLU A 49 21.983 -14.107 -6.222 1.00 0.00 C ATOM 824 OE1 GLU A 49 21.248 -14.108 -7.195 1.00 0.00 O ATOM 825 OE2 GLU A 49 22.691 -15.047 -5.901 1.00 0.00 O ATOM 0 H GLU A 49 19.822 -11.624 -3.212 1.00 0.00 H new ATOM 0 HA GLU A 49 21.806 -10.155 -4.927 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.918 -12.451 -5.662 1.00 0.00 H new ATOM 0 HB3 GLU A 49 20.973 -11.609 -6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 49 22.974 -12.336 -5.479 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.943 -13.122 -4.299 1.00 0.00 H new ATOM 832 N GLN A 50 19.968 -8.601 -5.630 1.00 0.00 N ATOM 833 CA GLN A 50 18.858 -7.688 -6.012 1.00 0.00 C ATOM 834 C GLN A 50 17.965 -8.409 -7.033 1.00 0.00 C ATOM 835 O GLN A 50 16.886 -7.959 -7.366 1.00 0.00 O ATOM 836 CB GLN A 50 19.437 -6.394 -6.629 1.00 0.00 C ATOM 837 CG GLN A 50 20.852 -6.134 -6.082 1.00 0.00 C ATOM 838 CD GLN A 50 21.881 -6.930 -6.893 1.00 0.00 C ATOM 839 OE1 GLN A 50 21.801 -6.991 -8.104 1.00 0.00 O ATOM 840 NE2 GLN A 50 22.850 -7.545 -6.272 1.00 0.00 N ATOM 0 H GLN A 50 20.907 -8.217 -5.738 1.00 0.00 H new ATOM 0 HA GLN A 50 18.271 -7.420 -5.134 1.00 0.00 H new ATOM 0 HB2 GLN A 50 19.469 -6.482 -7.715 1.00 0.00 H new ATOM 0 HB3 GLN A 50 18.788 -5.549 -6.397 1.00 0.00 H new ATOM 0 HG2 GLN A 50 21.081 -5.070 -6.133 1.00 0.00 H new ATOM 0 HG3 GLN A 50 20.903 -6.421 -5.032 1.00 0.00 H new ATOM 0 HE21 GLN A 50 22.918 -7.494 -5.256 1.00 0.00 H new ATOM 0 HE22 GLN A 50 23.540 -8.077 -6.803 1.00 0.00 H new ATOM 849 N GLU A 51 18.439 -9.511 -7.551 1.00 0.00 N ATOM 850 CA GLU A 51 17.680 -10.280 -8.577 1.00 0.00 C ATOM 851 C GLU A 51 16.183 -10.298 -8.295 1.00 0.00 C ATOM 852 O GLU A 51 15.390 -9.982 -9.158 1.00 0.00 O ATOM 853 CB GLU A 51 18.205 -11.716 -8.623 1.00 0.00 C ATOM 854 CG GLU A 51 17.721 -12.398 -9.904 1.00 0.00 C ATOM 855 CD GLU A 51 18.320 -13.802 -9.993 1.00 0.00 C ATOM 856 OE1 GLU A 51 19.472 -13.957 -9.623 1.00 0.00 O ATOM 857 OE2 GLU A 51 17.617 -14.697 -10.430 1.00 0.00 O ATOM 0 H GLU A 51 19.340 -9.918 -7.300 1.00 0.00 H new ATOM 0 HA GLU A 51 17.828 -9.786 -9.537 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.294 -11.717 -8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.857 -12.269 -7.751 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.632 -12.455 -9.909 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.014 -11.811 -10.774 1.00 0.00 H new ATOM 864 N VAL A 52 15.768 -10.657 -7.118 1.00 0.00 N ATOM 865 CA VAL A 52 14.303 -10.669 -6.861 1.00 0.00 C ATOM 866 C VAL A 52 13.823 -9.230 -6.881 1.00 0.00 C ATOM 867 O VAL A 52 12.745 -8.917 -7.347 1.00 0.00 O ATOM 868 CB VAL A 52 13.990 -11.324 -5.493 1.00 0.00 C ATOM 869 CG1 VAL A 52 12.684 -12.125 -5.577 1.00 0.00 C ATOM 870 CG2 VAL A 52 15.134 -12.262 -5.092 1.00 0.00 C ATOM 0 H VAL A 52 16.362 -10.937 -6.337 1.00 0.00 H new ATOM 0 HA VAL A 52 13.792 -11.254 -7.625 1.00 0.00 H new ATOM 0 HB VAL A 52 13.882 -10.538 -4.745 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.474 -12.581 -4.610 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.865 -11.459 -5.849 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.783 -12.905 -6.332 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.908 -12.720 -4.129 1.00 0.00 H new ATOM 0 HG22 VAL A 52 15.248 -13.041 -5.846 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.061 -11.693 -5.015 1.00 0.00 H new ATOM 880 N VAL A 53 14.639 -8.354 -6.398 1.00 0.00 N ATOM 881 CA VAL A 53 14.279 -6.924 -6.398 1.00 0.00 C ATOM 882 C VAL A 53 14.251 -6.483 -7.860 1.00 0.00 C ATOM 883 O VAL A 53 13.577 -5.543 -8.231 1.00 0.00 O ATOM 884 CB VAL A 53 15.319 -6.150 -5.539 1.00 0.00 C ATOM 885 CG1 VAL A 53 16.076 -5.101 -6.363 1.00 0.00 C ATOM 886 CG2 VAL A 53 14.621 -5.446 -4.372 1.00 0.00 C ATOM 0 H VAL A 53 15.552 -8.570 -5.998 1.00 0.00 H new ATOM 0 HA VAL A 53 13.303 -6.724 -5.956 1.00 0.00 H new ATOM 0 HB VAL A 53 16.035 -6.883 -5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 53 16.792 -4.584 -5.724 1.00 0.00 H new ATOM 0 HG12 VAL A 53 16.606 -5.592 -7.179 1.00 0.00 H new ATOM 0 HG13 VAL A 53 15.368 -4.380 -6.772 1.00 0.00 H new ATOM 0 HG21 VAL A 53 15.359 -4.908 -3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 53 13.884 -4.742 -4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 53 14.122 -6.186 -3.747 1.00 0.00 H new ATOM 896 N ASP A 54 14.964 -7.185 -8.696 1.00 0.00 N ATOM 897 CA ASP A 54 14.959 -6.839 -10.139 1.00 0.00 C ATOM 898 C ASP A 54 13.663 -7.383 -10.733 1.00 0.00 C ATOM 899 O ASP A 54 13.065 -6.795 -11.612 1.00 0.00 O ATOM 900 CB ASP A 54 16.167 -7.478 -10.834 1.00 0.00 C ATOM 901 CG ASP A 54 16.398 -6.801 -12.187 1.00 0.00 C ATOM 902 OD1 ASP A 54 15.445 -6.265 -12.729 1.00 0.00 O ATOM 903 OD2 ASP A 54 17.523 -6.830 -12.658 1.00 0.00 O ATOM 0 H ASP A 54 15.548 -7.981 -8.440 1.00 0.00 H new ATOM 0 HA ASP A 54 15.021 -5.760 -10.278 1.00 0.00 H new ATOM 0 HB2 ASP A 54 17.054 -7.377 -10.209 1.00 0.00 H new ATOM 0 HB3 ASP A 54 15.996 -8.545 -10.974 1.00 0.00 H new ATOM 908 N LYS A 55 13.220 -8.507 -10.234 1.00 0.00 N ATOM 909 CA LYS A 55 11.952 -9.104 -10.737 1.00 0.00 C ATOM 910 C LYS A 55 10.771 -8.418 -10.049 1.00 0.00 C ATOM 911 O LYS A 55 9.780 -8.098 -10.670 1.00 0.00 O ATOM 912 CB LYS A 55 11.935 -10.608 -10.425 1.00 0.00 C ATOM 913 CG LYS A 55 10.548 -11.220 -10.755 1.00 0.00 C ATOM 914 CD LYS A 55 9.685 -11.337 -9.481 1.00 0.00 C ATOM 915 CE LYS A 55 10.023 -12.632 -8.736 1.00 0.00 C ATOM 916 NZ LYS A 55 9.590 -13.800 -9.552 1.00 0.00 N ATOM 0 H LYS A 55 13.685 -9.038 -9.497 1.00 0.00 H new ATOM 0 HA LYS A 55 11.878 -8.963 -11.815 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.708 -11.113 -11.004 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.168 -10.769 -9.372 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.037 -10.599 -11.490 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.677 -12.205 -11.204 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.861 -10.478 -8.833 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.628 -11.325 -9.746 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.095 -12.685 -8.545 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.525 -12.647 -7.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.352 -14.593 -8.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.754 -13.540 -10.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.361 -14.083 -10.190 1.00 0.00 H new ATOM 930 N VAL A 56 10.860 -8.187 -8.767 1.00 0.00 N ATOM 931 CA VAL A 56 9.727 -7.520 -8.068 1.00 0.00 C ATOM 932 C VAL A 56 9.429 -6.199 -8.787 1.00 0.00 C ATOM 933 O VAL A 56 8.289 -5.859 -9.036 1.00 0.00 O ATOM 934 CB VAL A 56 10.089 -7.291 -6.576 1.00 0.00 C ATOM 935 CG1 VAL A 56 10.766 -5.929 -6.362 1.00 0.00 C ATOM 936 CG2 VAL A 56 8.820 -7.349 -5.716 1.00 0.00 C ATOM 0 H VAL A 56 11.659 -8.428 -8.180 1.00 0.00 H new ATOM 0 HA VAL A 56 8.835 -8.146 -8.093 1.00 0.00 H new ATOM 0 HB VAL A 56 10.784 -8.078 -6.283 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.005 -5.803 -5.306 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.683 -5.882 -6.950 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.091 -5.134 -6.678 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.081 -7.188 -4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.125 -6.574 -6.040 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.350 -8.327 -5.826 1.00 0.00 H new ATOM 946 N MET A 57 10.451 -5.458 -9.124 1.00 0.00 N ATOM 947 CA MET A 57 10.234 -4.164 -9.831 1.00 0.00 C ATOM 948 C MET A 57 9.518 -4.422 -11.158 1.00 0.00 C ATOM 949 O MET A 57 8.725 -3.621 -11.611 1.00 0.00 O ATOM 950 CB MET A 57 11.585 -3.492 -10.100 1.00 0.00 C ATOM 951 CG MET A 57 12.109 -2.868 -8.806 1.00 0.00 C ATOM 952 SD MET A 57 13.723 -2.105 -9.111 1.00 0.00 S ATOM 953 CE MET A 57 13.535 -0.712 -7.973 1.00 0.00 C ATOM 0 H MET A 57 11.426 -5.694 -8.940 1.00 0.00 H new ATOM 0 HA MET A 57 9.623 -3.510 -9.209 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.299 -4.224 -10.479 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.476 -2.726 -10.868 1.00 0.00 H new ATOM 0 HG2 MET A 57 11.405 -2.121 -8.440 1.00 0.00 H new ATOM 0 HG3 MET A 57 12.196 -3.630 -8.032 1.00 0.00 H new ATOM 0 HE1 MET A 57 14.498 -0.220 -7.838 1.00 0.00 H new ATOM 0 HE2 MET A 57 12.819 -0.000 -8.384 1.00 0.00 H new ATOM 0 HE3 MET A 57 13.174 -1.075 -7.010 1.00 0.00 H new ATOM 963 N GLU A 58 9.785 -5.535 -11.784 1.00 0.00 N ATOM 964 CA GLU A 58 9.108 -5.834 -13.078 1.00 0.00 C ATOM 965 C GLU A 58 7.623 -6.062 -12.819 1.00 0.00 C ATOM 966 O GLU A 58 6.788 -5.823 -13.669 1.00 0.00 O ATOM 967 CB GLU A 58 9.726 -7.084 -13.712 1.00 0.00 C ATOM 968 CG GLU A 58 11.124 -6.746 -14.231 1.00 0.00 C ATOM 969 CD GLU A 58 11.866 -8.033 -14.595 1.00 0.00 C ATOM 970 OE1 GLU A 58 11.273 -8.869 -15.257 1.00 0.00 O ATOM 971 OE2 GLU A 58 13.015 -8.162 -14.205 1.00 0.00 O ATOM 0 H GLU A 58 10.439 -6.247 -11.458 1.00 0.00 H new ATOM 0 HA GLU A 58 9.236 -4.995 -13.762 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.782 -7.888 -12.979 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.098 -7.440 -14.529 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.051 -6.098 -15.104 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.681 -6.196 -13.472 1.00 0.00 H new ATOM 978 N THR A 59 7.286 -6.515 -11.644 1.00 0.00 N ATOM 979 CA THR A 59 5.852 -6.752 -11.311 1.00 0.00 C ATOM 980 C THR A 59 5.268 -5.505 -10.648 1.00 0.00 C ATOM 981 O THR A 59 4.079 -5.265 -10.702 1.00 0.00 O ATOM 982 CB THR A 59 5.731 -7.932 -10.345 1.00 0.00 C ATOM 983 OG1 THR A 59 6.311 -9.088 -10.934 1.00 0.00 O ATOM 984 CG2 THR A 59 4.252 -8.196 -10.043 1.00 0.00 C ATOM 0 H THR A 59 7.944 -6.733 -10.896 1.00 0.00 H new ATOM 0 HA THR A 59 5.307 -6.974 -12.228 1.00 0.00 H new ATOM 0 HB THR A 59 6.253 -7.698 -9.417 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.235 -9.844 -10.315 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.166 -9.037 -9.355 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.809 -7.309 -9.590 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.728 -8.430 -10.969 1.00 0.00 H new ATOM 992 N LEU A 60 6.094 -4.721 -9.996 1.00 0.00 N ATOM 993 CA LEU A 60 5.584 -3.498 -9.297 1.00 0.00 C ATOM 994 C LEU A 60 5.856 -2.243 -10.131 1.00 0.00 C ATOM 995 O LEU A 60 4.990 -1.407 -10.282 1.00 0.00 O ATOM 996 CB LEU A 60 6.290 -3.369 -7.935 1.00 0.00 C ATOM 997 CG LEU A 60 5.511 -4.123 -6.848 1.00 0.00 C ATOM 998 CD1 LEU A 60 4.130 -3.467 -6.609 1.00 0.00 C ATOM 999 CD2 LEU A 60 5.333 -5.589 -7.265 1.00 0.00 C ATOM 0 H LEU A 60 7.099 -4.875 -9.918 1.00 0.00 H new ATOM 0 HA LEU A 60 4.507 -3.594 -9.157 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.303 -3.766 -8.005 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.378 -2.317 -7.663 1.00 0.00 H new ATOM 0 HG LEU A 60 6.076 -4.078 -5.917 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.595 -4.017 -5.835 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.268 -2.434 -6.290 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.553 -3.487 -7.533 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.780 -6.123 -6.492 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.781 -5.636 -8.204 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.311 -6.051 -7.396 1.00 0.00 H new ATOM 1011 N ASP A 61 7.030 -2.079 -10.668 1.00 0.00 N ATOM 1012 CA ASP A 61 7.304 -0.855 -11.472 1.00 0.00 C ATOM 1013 C ASP A 61 6.272 -0.730 -12.582 1.00 0.00 C ATOM 1014 O ASP A 61 6.234 -1.504 -13.517 1.00 0.00 O ATOM 1015 CB ASP A 61 8.709 -0.958 -12.059 1.00 0.00 C ATOM 1016 CG ASP A 61 9.185 0.423 -12.507 1.00 0.00 C ATOM 1017 OD1 ASP A 61 8.423 1.366 -12.374 1.00 0.00 O ATOM 1018 OD2 ASP A 61 10.303 0.510 -12.977 1.00 0.00 O ATOM 0 H ASP A 61 7.808 -2.734 -10.587 1.00 0.00 H new ATOM 0 HA ASP A 61 7.240 0.031 -10.841 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.394 -1.366 -11.316 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.710 -1.645 -12.905 1.00 0.00 H new ATOM 1023 N GLU A 62 5.429 0.255 -12.466 1.00 0.00 N ATOM 1024 CA GLU A 62 4.373 0.473 -13.493 1.00 0.00 C ATOM 1025 C GLU A 62 4.926 1.387 -14.567 1.00 0.00 C ATOM 1026 O GLU A 62 4.784 1.138 -15.748 1.00 0.00 O ATOM 1027 CB GLU A 62 3.144 1.123 -12.851 1.00 0.00 C ATOM 1028 CG GLU A 62 2.709 0.317 -11.625 1.00 0.00 C ATOM 1029 CD GLU A 62 2.361 -1.112 -12.046 1.00 0.00 C ATOM 1030 OE1 GLU A 62 1.616 -1.262 -13.001 1.00 0.00 O ATOM 1031 OE2 GLU A 62 2.844 -2.031 -11.407 1.00 0.00 O ATOM 0 H GLU A 62 5.426 0.925 -11.697 1.00 0.00 H new ATOM 0 HA GLU A 62 4.078 -0.483 -13.927 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.374 2.148 -12.560 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.329 1.172 -13.573 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.508 0.304 -10.884 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.846 0.789 -11.155 1.00 0.00 H new ATOM 1038 N ASP A 63 5.575 2.436 -14.168 1.00 0.00 N ATOM 1039 CA ASP A 63 6.160 3.356 -15.167 1.00 0.00 C ATOM 1040 C ASP A 63 7.465 2.746 -15.667 1.00 0.00 C ATOM 1041 O ASP A 63 8.120 3.287 -16.535 1.00 0.00 O ATOM 1042 CB ASP A 63 6.441 4.712 -14.516 1.00 0.00 C ATOM 1043 CG ASP A 63 7.105 4.498 -13.155 1.00 0.00 C ATOM 1044 OD1 ASP A 63 7.912 3.589 -13.048 1.00 0.00 O ATOM 1045 OD2 ASP A 63 6.796 5.246 -12.243 1.00 0.00 O ATOM 0 H ASP A 63 5.725 2.696 -13.193 1.00 0.00 H new ATOM 0 HA ASP A 63 5.469 3.502 -15.997 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.089 5.308 -15.159 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.512 5.269 -14.395 1.00 0.00 H new ATOM 1050 N GLY A 64 7.861 1.619 -15.122 1.00 0.00 N ATOM 1051 CA GLY A 64 9.134 1.007 -15.586 1.00 0.00 C ATOM 1052 C GLY A 64 10.253 2.004 -15.312 1.00 0.00 C ATOM 1053 O GLY A 64 11.108 2.243 -16.141 1.00 0.00 O ATOM 0 H GLY A 64 7.365 1.110 -14.391 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.321 0.069 -15.063 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.081 0.774 -16.649 1.00 0.00 H new ATOM 1057 N ASP A 65 10.233 2.614 -14.155 1.00 0.00 N ATOM 1058 CA ASP A 65 11.280 3.630 -13.825 1.00 0.00 C ATOM 1059 C ASP A 65 12.452 2.969 -13.105 1.00 0.00 C ATOM 1060 O ASP A 65 13.455 3.599 -12.832 1.00 0.00 O ATOM 1061 CB ASP A 65 10.673 4.695 -12.911 1.00 0.00 C ATOM 1062 CG ASP A 65 10.108 4.026 -11.657 1.00 0.00 C ATOM 1063 OD1 ASP A 65 10.284 2.826 -11.519 1.00 0.00 O ATOM 1064 OD2 ASP A 65 9.509 4.724 -10.855 1.00 0.00 O ATOM 0 H ASP A 65 9.539 2.454 -13.425 1.00 0.00 H new ATOM 0 HA ASP A 65 11.638 4.083 -14.749 1.00 0.00 H new ATOM 0 HB2 ASP A 65 11.431 5.428 -12.635 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.884 5.234 -13.436 1.00 0.00 H new ATOM 1069 N GLY A 66 12.340 1.714 -12.785 1.00 0.00 N ATOM 1070 CA GLY A 66 13.460 1.038 -12.071 1.00 0.00 C ATOM 1071 C GLY A 66 13.452 1.499 -10.619 1.00 0.00 C ATOM 1072 O GLY A 66 14.263 1.087 -9.816 1.00 0.00 O ATOM 0 H GLY A 66 11.529 1.128 -12.984 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.346 -0.045 -12.126 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.412 1.283 -12.541 1.00 0.00 H new ATOM 1076 N GLU A 67 12.520 2.350 -10.287 1.00 0.00 N ATOM 1077 CA GLU A 67 12.396 2.863 -8.892 1.00 0.00 C ATOM 1078 C GLU A 67 10.961 2.610 -8.444 1.00 0.00 C ATOM 1079 O GLU A 67 10.131 2.209 -9.236 1.00 0.00 O ATOM 1080 CB GLU A 67 12.693 4.364 -8.870 1.00 0.00 C ATOM 1081 CG GLU A 67 14.049 4.624 -9.531 1.00 0.00 C ATOM 1082 CD GLU A 67 14.498 6.055 -9.230 1.00 0.00 C ATOM 1083 OE1 GLU A 67 14.570 6.399 -8.061 1.00 0.00 O ATOM 1084 OE2 GLU A 67 14.763 6.783 -10.173 1.00 0.00 O ATOM 0 H GLU A 67 11.825 2.719 -10.937 1.00 0.00 H new ATOM 0 HA GLU A 67 13.100 2.363 -8.227 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.909 4.909 -9.396 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.701 4.729 -7.843 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.788 3.914 -9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.975 4.474 -10.608 1.00 0.00 H new ATOM 1091 N CYS A 68 10.654 2.818 -7.189 1.00 0.00 N ATOM 1092 CA CYS A 68 9.259 2.565 -6.701 1.00 0.00 C ATOM 1093 C CYS A 68 8.711 3.795 -5.969 1.00 0.00 C ATOM 1094 O CYS A 68 8.943 3.983 -4.788 1.00 0.00 O ATOM 1095 CB CYS A 68 9.267 1.358 -5.754 1.00 0.00 C ATOM 1096 SG CYS A 68 9.304 -0.166 -6.728 1.00 0.00 S ATOM 0 H CYS A 68 11.306 3.152 -6.480 1.00 0.00 H new ATOM 0 HA CYS A 68 8.616 2.360 -7.557 1.00 0.00 H new ATOM 0 HB2 CYS A 68 10.135 1.404 -5.096 1.00 0.00 H new ATOM 0 HB3 CYS A 68 8.382 1.375 -5.117 1.00 0.00 H new ATOM 0 HG CYS A 68 9.313 -1.191 -5.929 1.00 0.00 H new ATOM 1102 N ASP A 69 7.998 4.640 -6.672 1.00 0.00 N ATOM 1103 CA ASP A 69 7.425 5.857 -6.028 1.00 0.00 C ATOM 1104 C ASP A 69 6.630 5.431 -4.791 1.00 0.00 C ATOM 1105 O ASP A 69 6.688 4.296 -4.373 1.00 0.00 O ATOM 1106 CB ASP A 69 6.499 6.574 -7.014 1.00 0.00 C ATOM 1107 CG ASP A 69 5.428 5.601 -7.512 1.00 0.00 C ATOM 1108 OD1 ASP A 69 4.979 4.788 -6.721 1.00 0.00 O ATOM 1109 OD2 ASP A 69 5.073 5.688 -8.676 1.00 0.00 O ATOM 0 H ASP A 69 7.789 4.537 -7.665 1.00 0.00 H new ATOM 0 HA ASP A 69 8.227 6.536 -5.738 1.00 0.00 H new ATOM 0 HB2 ASP A 69 6.030 7.431 -6.531 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.075 6.959 -7.856 1.00 0.00 H new ATOM 1114 N PHE A 70 5.884 6.320 -4.198 1.00 0.00 N ATOM 1115 CA PHE A 70 5.101 5.947 -2.983 1.00 0.00 C ATOM 1116 C PHE A 70 3.833 5.164 -3.362 1.00 0.00 C ATOM 1117 O PHE A 70 3.334 4.369 -2.591 1.00 0.00 O ATOM 1118 CB PHE A 70 4.703 7.226 -2.230 1.00 0.00 C ATOM 1119 CG PHE A 70 4.477 8.354 -3.217 1.00 0.00 C ATOM 1120 CD1 PHE A 70 3.324 8.377 -4.011 1.00 0.00 C ATOM 1121 CD2 PHE A 70 5.428 9.374 -3.342 1.00 0.00 C ATOM 1122 CE1 PHE A 70 3.124 9.415 -4.928 1.00 0.00 C ATOM 1123 CE2 PHE A 70 5.227 10.414 -4.257 1.00 0.00 C ATOM 1124 CZ PHE A 70 4.075 10.434 -5.051 1.00 0.00 C ATOM 0 H PHE A 70 5.781 7.289 -4.500 1.00 0.00 H new ATOM 0 HA PHE A 70 5.721 5.312 -2.351 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.797 7.051 -1.651 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.485 7.501 -1.523 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.588 7.592 -3.916 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.319 9.358 -2.731 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.235 9.430 -5.541 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.961 11.201 -4.350 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.920 11.235 -5.758 1.00 0.00 H new ATOM 1134 N GLN A 71 3.287 5.417 -4.515 1.00 0.00 N ATOM 1135 CA GLN A 71 2.032 4.732 -4.919 1.00 0.00 C ATOM 1136 C GLN A 71 2.276 3.243 -5.166 1.00 0.00 C ATOM 1137 O GLN A 71 1.498 2.400 -4.752 1.00 0.00 O ATOM 1138 CB GLN A 71 1.490 5.390 -6.194 1.00 0.00 C ATOM 1139 CG GLN A 71 0.175 4.727 -6.586 1.00 0.00 C ATOM 1140 CD GLN A 71 -0.433 5.466 -7.779 1.00 0.00 C ATOM 1141 OE1 GLN A 71 -0.294 6.760 -7.869 1.00 0.00 O flip ATOM 1142 NE2 GLN A 71 -1.041 4.859 -8.638 1.00 0.00 N flip ATOM 0 H GLN A 71 3.659 6.074 -5.200 1.00 0.00 H new ATOM 0 HA GLN A 71 1.304 4.826 -4.113 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.337 6.457 -6.029 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.214 5.293 -7.003 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.345 3.681 -6.841 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.517 4.742 -5.744 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.150 3.847 -8.568 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.443 5.361 -9.430 1.00 0.00 H new ATOM 1151 N GLU A 72 3.350 2.896 -5.817 1.00 0.00 N ATOM 1152 CA GLU A 72 3.627 1.454 -6.072 1.00 0.00 C ATOM 1153 C GLU A 72 4.473 0.890 -4.928 1.00 0.00 C ATOM 1154 O GLU A 72 4.347 -0.262 -4.566 1.00 0.00 O ATOM 1155 CB GLU A 72 4.339 1.306 -7.424 1.00 0.00 C ATOM 1156 CG GLU A 72 5.815 1.755 -7.327 1.00 0.00 C ATOM 1157 CD GLU A 72 6.254 2.404 -8.646 1.00 0.00 C ATOM 1158 OE1 GLU A 72 6.029 1.803 -9.683 1.00 0.00 O ATOM 1159 OE2 GLU A 72 6.806 3.491 -8.593 1.00 0.00 O ATOM 0 H GLU A 72 4.046 3.545 -6.183 1.00 0.00 H new ATOM 0 HA GLU A 72 2.695 0.890 -6.114 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.292 0.267 -7.751 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.823 1.901 -8.177 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.935 2.462 -6.506 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.451 0.898 -7.105 1.00 0.00 H new ATOM 1166 N PHE A 73 5.321 1.685 -4.333 1.00 0.00 N ATOM 1167 CA PHE A 73 6.134 1.158 -3.200 1.00 0.00 C ATOM 1168 C PHE A 73 5.184 0.552 -2.176 1.00 0.00 C ATOM 1169 O PHE A 73 5.390 -0.535 -1.686 1.00 0.00 O ATOM 1170 CB PHE A 73 6.951 2.287 -2.559 1.00 0.00 C ATOM 1171 CG PHE A 73 7.528 1.836 -1.232 1.00 0.00 C ATOM 1172 CD1 PHE A 73 8.514 0.843 -1.197 1.00 0.00 C ATOM 1173 CD2 PHE A 73 7.076 2.415 -0.037 1.00 0.00 C ATOM 1174 CE1 PHE A 73 9.048 0.430 0.031 1.00 0.00 C ATOM 1175 CE2 PHE A 73 7.611 2.002 1.188 1.00 0.00 C ATOM 1176 CZ PHE A 73 8.596 1.010 1.222 1.00 0.00 C ATOM 0 H PHE A 73 5.485 2.662 -4.577 1.00 0.00 H new ATOM 0 HA PHE A 73 6.831 0.401 -3.561 1.00 0.00 H new ATOM 0 HB2 PHE A 73 7.756 2.587 -3.229 1.00 0.00 H new ATOM 0 HB3 PHE A 73 6.318 3.162 -2.409 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.863 0.395 -2.116 1.00 0.00 H new ATOM 0 HD2 PHE A 73 6.314 3.180 -0.063 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.809 -0.336 0.058 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.263 2.449 2.107 1.00 0.00 H new ATOM 0 HZ PHE A 73 9.008 0.691 2.168 1.00 0.00 H new ATOM 1186 N MET A 74 4.120 1.222 -1.868 1.00 0.00 N ATOM 1187 CA MET A 74 3.167 0.624 -0.911 1.00 0.00 C ATOM 1188 C MET A 74 2.665 -0.661 -1.560 1.00 0.00 C ATOM 1189 O MET A 74 2.568 -1.699 -0.937 1.00 0.00 O ATOM 1190 CB MET A 74 2.000 1.611 -0.662 1.00 0.00 C ATOM 1191 CG MET A 74 2.011 2.132 0.783 1.00 0.00 C ATOM 1192 SD MET A 74 1.208 0.910 1.855 1.00 0.00 S ATOM 1193 CE MET A 74 -0.101 1.968 2.528 1.00 0.00 C ATOM 0 H MET A 74 3.871 2.142 -2.230 1.00 0.00 H new ATOM 0 HA MET A 74 3.629 0.413 0.053 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.076 2.450 -1.354 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.051 1.115 -0.865 1.00 0.00 H new ATOM 0 HG2 MET A 74 3.035 2.307 1.113 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.489 3.087 0.843 1.00 0.00 H new ATOM 0 HE1 MET A 74 -0.457 1.551 3.470 1.00 0.00 H new ATOM 0 HE2 MET A 74 0.293 2.970 2.700 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.927 2.020 1.819 1.00 0.00 H new ATOM 1203 N ALA A 75 2.331 -0.580 -2.814 1.00 0.00 N ATOM 1204 CA ALA A 75 1.815 -1.795 -3.506 1.00 0.00 C ATOM 1205 C ALA A 75 2.791 -2.957 -3.300 1.00 0.00 C ATOM 1206 O ALA A 75 2.420 -4.108 -3.408 1.00 0.00 O ATOM 1207 CB ALA A 75 1.641 -1.511 -4.999 1.00 0.00 C ATOM 0 H ALA A 75 2.391 0.262 -3.386 1.00 0.00 H new ATOM 0 HA ALA A 75 0.846 -2.065 -3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.264 -2.404 -5.498 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.933 -0.693 -5.134 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.602 -1.233 -5.431 1.00 0.00 H new ATOM 1213 N PHE A 76 4.033 -2.679 -2.995 1.00 0.00 N ATOM 1214 CA PHE A 76 4.989 -3.810 -2.781 1.00 0.00 C ATOM 1215 C PHE A 76 4.626 -4.496 -1.467 1.00 0.00 C ATOM 1216 O PHE A 76 4.452 -5.696 -1.409 1.00 0.00 O ATOM 1217 CB PHE A 76 6.445 -3.308 -2.748 1.00 0.00 C ATOM 1218 CG PHE A 76 7.361 -4.373 -2.166 1.00 0.00 C ATOM 1219 CD1 PHE A 76 7.361 -5.673 -2.693 1.00 0.00 C ATOM 1220 CD2 PHE A 76 8.211 -4.056 -1.095 1.00 0.00 C ATOM 1221 CE1 PHE A 76 8.206 -6.649 -2.150 1.00 0.00 C ATOM 1222 CE2 PHE A 76 9.054 -5.033 -0.554 1.00 0.00 C ATOM 1223 CZ PHE A 76 9.051 -6.329 -1.081 1.00 0.00 C ATOM 0 H PHE A 76 4.421 -1.742 -2.887 1.00 0.00 H new ATOM 0 HA PHE A 76 4.913 -4.517 -3.607 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.770 -3.051 -3.756 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.509 -2.398 -2.151 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.709 -5.921 -3.518 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.214 -3.056 -0.688 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.206 -7.650 -2.557 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.707 -4.787 0.270 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.701 -7.083 -0.663 1.00 0.00 H new ATOM 1233 N VAL A 77 4.489 -3.742 -0.415 1.00 0.00 N ATOM 1234 CA VAL A 77 4.114 -4.357 0.887 1.00 0.00 C ATOM 1235 C VAL A 77 2.800 -5.124 0.709 1.00 0.00 C ATOM 1236 O VAL A 77 2.574 -6.150 1.317 1.00 0.00 O ATOM 1237 CB VAL A 77 3.925 -3.252 1.929 1.00 0.00 C ATOM 1238 CG1 VAL A 77 3.277 -3.832 3.189 1.00 0.00 C ATOM 1239 CG2 VAL A 77 5.286 -2.653 2.283 1.00 0.00 C ATOM 0 H VAL A 77 4.620 -2.731 -0.399 1.00 0.00 H new ATOM 0 HA VAL A 77 4.897 -5.038 1.220 1.00 0.00 H new ATOM 0 HB VAL A 77 3.278 -2.476 1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.145 -3.041 3.927 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.306 -4.258 2.936 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.918 -4.611 3.602 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.155 -1.865 3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.931 -3.431 2.690 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.744 -2.234 1.387 1.00 0.00 H new ATOM 1249 N SER A 78 1.939 -4.623 -0.128 1.00 0.00 N ATOM 1250 CA SER A 78 0.634 -5.294 -0.373 1.00 0.00 C ATOM 1251 C SER A 78 0.885 -6.645 -1.039 1.00 0.00 C ATOM 1252 O SER A 78 0.186 -7.609 -0.805 1.00 0.00 O ATOM 1253 CB SER A 78 -0.206 -4.402 -1.291 1.00 0.00 C ATOM 1254 OG SER A 78 0.141 -3.048 -1.049 1.00 0.00 O ATOM 0 H SER A 78 2.086 -3.765 -0.660 1.00 0.00 H new ATOM 0 HA SER A 78 0.103 -5.454 0.565 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.026 -4.658 -2.335 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.268 -4.560 -1.103 1.00 0.00 H new ATOM 0 HG SER A 78 0.406 -2.941 -0.112 1.00 0.00 H new ATOM 1260 N MET A 79 1.895 -6.718 -1.852 1.00 0.00 N ATOM 1261 CA MET A 79 2.219 -8.001 -2.526 1.00 0.00 C ATOM 1262 C MET A 79 2.868 -8.925 -1.502 1.00 0.00 C ATOM 1263 O MET A 79 2.797 -10.135 -1.595 1.00 0.00 O ATOM 1264 CB MET A 79 3.179 -7.748 -3.698 1.00 0.00 C ATOM 1265 CG MET A 79 3.339 -9.020 -4.553 1.00 0.00 C ATOM 1266 SD MET A 79 3.704 -8.550 -6.265 1.00 0.00 S ATOM 1267 CE MET A 79 5.506 -8.681 -6.175 1.00 0.00 C ATOM 0 H MET A 79 2.514 -5.940 -2.081 1.00 0.00 H new ATOM 0 HA MET A 79 1.313 -8.461 -2.921 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.801 -6.933 -4.316 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.151 -7.434 -3.318 1.00 0.00 H new ATOM 0 HG2 MET A 79 4.142 -9.641 -4.155 1.00 0.00 H new ATOM 0 HG3 MET A 79 2.427 -9.615 -4.514 1.00 0.00 H new ATOM 0 HE1 MET A 79 5.929 -8.568 -7.173 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.896 -7.898 -5.525 1.00 0.00 H new ATOM 0 HE3 MET A 79 5.780 -9.656 -5.773 1.00 0.00 H new ATOM 1277 N VAL A 80 3.477 -8.347 -0.507 1.00 0.00 N ATOM 1278 CA VAL A 80 4.114 -9.148 0.563 1.00 0.00 C ATOM 1279 C VAL A 80 3.043 -9.441 1.590 1.00 0.00 C ATOM 1280 O VAL A 80 3.003 -10.495 2.194 1.00 0.00 O ATOM 1281 CB VAL A 80 5.232 -8.339 1.228 1.00 0.00 C ATOM 1282 CG1 VAL A 80 5.811 -9.134 2.404 1.00 0.00 C ATOM 1283 CG2 VAL A 80 6.337 -8.045 0.212 1.00 0.00 C ATOM 0 H VAL A 80 3.560 -7.337 -0.391 1.00 0.00 H new ATOM 0 HA VAL A 80 4.541 -10.064 0.155 1.00 0.00 H new ATOM 0 HB VAL A 80 4.824 -7.397 1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.606 -8.558 2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.024 -9.331 3.132 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.215 -10.079 2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.129 -7.469 0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.746 -8.983 -0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.925 -7.472 -0.619 1.00 0.00 H new ATOM 1293 N THR A 81 2.160 -8.503 1.785 1.00 0.00 N ATOM 1294 CA THR A 81 1.073 -8.711 2.764 1.00 0.00 C ATOM 1295 C THR A 81 0.072 -9.688 2.170 1.00 0.00 C ATOM 1296 O THR A 81 -0.544 -10.463 2.875 1.00 0.00 O ATOM 1297 CB THR A 81 0.374 -7.381 3.052 1.00 0.00 C ATOM 1298 OG1 THR A 81 1.348 -6.386 3.328 1.00 0.00 O ATOM 1299 CG2 THR A 81 -0.556 -7.537 4.257 1.00 0.00 C ATOM 0 H THR A 81 2.149 -7.603 1.306 1.00 0.00 H new ATOM 0 HA THR A 81 1.482 -9.106 3.694 1.00 0.00 H new ATOM 0 HB THR A 81 -0.213 -7.085 2.182 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.968 -6.316 2.572 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.052 -6.588 4.459 1.00 0.00 H new ATOM 0 HG22 THR A 81 -1.305 -8.299 4.042 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.026 -7.835 5.129 1.00 0.00 H new ATOM 1307 N THR A 82 -0.119 -9.650 0.877 1.00 0.00 N ATOM 1308 CA THR A 82 -1.108 -10.570 0.253 1.00 0.00 C ATOM 1309 C THR A 82 -0.619 -12.013 0.321 1.00 0.00 C ATOM 1310 O THR A 82 -1.402 -12.925 0.501 1.00 0.00 O ATOM 1311 CB THR A 82 -1.308 -10.169 -1.205 1.00 0.00 C ATOM 1312 OG1 THR A 82 -0.043 -9.966 -1.809 1.00 0.00 O ATOM 1313 CG2 THR A 82 -2.133 -8.874 -1.275 1.00 0.00 C ATOM 0 H THR A 82 0.365 -9.025 0.232 1.00 0.00 H new ATOM 0 HA THR A 82 -2.051 -10.498 0.796 1.00 0.00 H new ATOM 0 HB THR A 82 -1.841 -10.959 -1.734 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.229 -9.032 -1.692 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.275 -8.589 -2.317 1.00 0.00 H new ATOM 0 HG22 THR A 82 -3.104 -9.036 -0.808 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.606 -8.078 -0.750 1.00 0.00 H new ATOM 1321 N ALA A 83 0.658 -12.249 0.181 1.00 0.00 N ATOM 1322 CA ALA A 83 1.152 -13.648 0.245 1.00 0.00 C ATOM 1323 C ALA A 83 0.970 -14.175 1.664 1.00 0.00 C ATOM 1324 O ALA A 83 0.636 -15.325 1.874 1.00 0.00 O ATOM 1325 CB ALA A 83 2.635 -13.683 -0.129 1.00 0.00 C ATOM 0 H ALA A 83 1.373 -11.538 0.026 1.00 0.00 H new ATOM 0 HA ALA A 83 0.591 -14.270 -0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.998 -14.710 -0.082 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.764 -13.298 -1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.201 -13.066 0.569 1.00 0.00 H new ATOM 1331 N CYS A 84 1.184 -13.341 2.646 1.00 0.00 N ATOM 1332 CA CYS A 84 1.017 -13.803 4.055 1.00 0.00 C ATOM 1333 C CYS A 84 -0.472 -13.812 4.420 1.00 0.00 C ATOM 1334 O CYS A 84 -0.851 -14.213 5.502 1.00 0.00 O ATOM 1335 CB CYS A 84 1.773 -12.864 5.000 1.00 0.00 C ATOM 1336 SG CYS A 84 0.884 -11.294 5.141 1.00 0.00 S ATOM 0 H CYS A 84 1.465 -12.367 2.536 1.00 0.00 H new ATOM 0 HA CYS A 84 1.419 -14.811 4.153 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.874 -13.325 5.982 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.781 -12.689 4.625 1.00 0.00 H new ATOM 0 HG CYS A 84 0.046 -11.180 4.154 1.00 0.00 H new ATOM 1342 N HIS A 85 -1.320 -13.372 3.520 1.00 0.00 N ATOM 1343 CA HIS A 85 -2.793 -13.351 3.802 1.00 0.00 C ATOM 1344 C HIS A 85 -3.466 -14.516 3.074 1.00 0.00 C ATOM 1345 O HIS A 85 -4.378 -15.135 3.584 1.00 0.00 O ATOM 1346 CB HIS A 85 -3.387 -12.032 3.297 1.00 0.00 C ATOM 1347 CG HIS A 85 -4.882 -12.052 3.462 1.00 0.00 C ATOM 1348 ND1 HIS A 85 -5.490 -12.056 4.708 1.00 0.00 N ATOM 1349 CD2 HIS A 85 -5.905 -12.068 2.546 1.00 0.00 C ATOM 1350 CE1 HIS A 85 -6.821 -12.074 4.510 1.00 0.00 C ATOM 1351 NE2 HIS A 85 -7.129 -12.082 3.210 1.00 0.00 N ATOM 0 H HIS A 85 -1.055 -13.025 2.598 1.00 0.00 H new ATOM 0 HA HIS A 85 -2.960 -13.443 4.875 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -2.962 -11.195 3.851 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.129 -11.884 2.248 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -5.779 -12.069 1.473 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -7.551 -12.081 5.305 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -8.060 -12.095 2.794 1.00 0.00 H new ATOM 1359 N GLU A 86 -3.022 -14.822 1.885 1.00 0.00 N ATOM 1360 CA GLU A 86 -3.637 -15.951 1.129 1.00 0.00 C ATOM 1361 C GLU A 86 -3.033 -17.272 1.615 1.00 0.00 C ATOM 1362 O GLU A 86 -3.647 -18.317 1.532 1.00 0.00 O ATOM 1363 CB GLU A 86 -3.362 -15.773 -0.370 1.00 0.00 C ATOM 1364 CG GLU A 86 -1.874 -16.005 -0.657 1.00 0.00 C ATOM 1365 CD GLU A 86 -1.513 -15.417 -2.023 1.00 0.00 C ATOM 1366 OE1 GLU A 86 -1.385 -14.207 -2.110 1.00 0.00 O ATOM 1367 OE2 GLU A 86 -1.368 -16.187 -2.959 1.00 0.00 O ATOM 0 H GLU A 86 -2.262 -14.340 1.405 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.714 -15.963 1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -3.966 -16.474 -0.946 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.650 -14.770 -0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.267 -15.541 0.121 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.653 -17.072 -0.640 1.00 0.00 H new ATOM 1374 N PHE A 87 -1.831 -17.227 2.124 1.00 0.00 N ATOM 1375 CA PHE A 87 -1.179 -18.472 2.619 1.00 0.00 C ATOM 1376 C PHE A 87 -1.997 -19.044 3.778 1.00 0.00 C ATOM 1377 O PHE A 87 -2.441 -20.174 3.738 1.00 0.00 O ATOM 1378 CB PHE A 87 0.237 -18.142 3.101 1.00 0.00 C ATOM 1379 CG PHE A 87 0.856 -19.362 3.740 1.00 0.00 C ATOM 1380 CD1 PHE A 87 0.649 -19.619 5.100 1.00 0.00 C ATOM 1381 CD2 PHE A 87 1.639 -20.235 2.974 1.00 0.00 C ATOM 1382 CE1 PHE A 87 1.223 -20.748 5.695 1.00 0.00 C ATOM 1383 CE2 PHE A 87 2.213 -21.365 3.569 1.00 0.00 C ATOM 1384 CZ PHE A 87 2.005 -21.621 4.930 1.00 0.00 C ATOM 0 H PHE A 87 -1.272 -16.379 2.218 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.127 -19.207 1.816 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.848 -17.809 2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.205 -17.321 3.817 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.046 -18.946 5.691 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.800 -20.037 1.925 1.00 0.00 H new ATOM 0 HE1 PHE A 87 1.063 -20.946 6.745 1.00 0.00 H new ATOM 0 HE2 PHE A 87 2.816 -22.039 2.979 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.448 -22.492 5.389 1.00 0.00 H new ATOM 1394 N PHE A 88 -2.203 -18.272 4.810 1.00 0.00 N ATOM 1395 CA PHE A 88 -2.995 -18.773 5.969 1.00 0.00 C ATOM 1396 C PHE A 88 -4.426 -19.076 5.514 1.00 0.00 C ATOM 1397 O PHE A 88 -5.091 -19.935 6.058 1.00 0.00 O ATOM 1398 CB PHE A 88 -3.023 -17.707 7.067 1.00 0.00 C ATOM 1399 CG PHE A 88 -3.780 -18.236 8.261 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -3.113 -18.986 9.237 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -5.151 -17.979 8.391 1.00 0.00 C ATOM 1402 CE1 PHE A 88 -3.816 -19.479 10.343 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -5.853 -18.472 9.497 1.00 0.00 C ATOM 1404 CZ PHE A 88 -5.186 -19.222 10.473 1.00 0.00 C ATOM 0 H PHE A 88 -1.857 -17.317 4.901 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.536 -19.682 6.358 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.006 -17.440 7.356 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.497 -16.799 6.695 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.056 -19.184 9.137 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -5.666 -17.401 7.638 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.301 -20.058 11.096 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -6.910 -18.274 9.598 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.728 -19.602 11.326 1.00 0.00 H new ATOM 1494 N GLU B 2 7.823 -1.739 12.305 1.00 0.00 N ATOM 1495 CA GLU B 2 6.647 -0.836 12.135 1.00 0.00 C ATOM 1496 C GLU B 2 5.767 -1.379 11.006 1.00 0.00 C ATOM 1497 O GLU B 2 4.562 -1.225 11.010 1.00 0.00 O ATOM 1498 CB GLU B 2 7.119 0.576 11.784 1.00 0.00 C ATOM 1499 CG GLU B 2 7.662 1.256 13.041 1.00 0.00 C ATOM 1500 CD GLU B 2 8.108 2.680 12.702 1.00 0.00 C ATOM 1501 OE1 GLU B 2 8.783 2.845 11.699 1.00 0.00 O ATOM 1502 OE2 GLU B 2 7.767 3.581 13.451 1.00 0.00 O ATOM 0 HA GLU B 2 6.079 -0.796 13.064 1.00 0.00 H new ATOM 0 HB2 GLU B 2 7.893 0.533 11.017 1.00 0.00 H new ATOM 0 HB3 GLU B 2 6.293 1.156 11.371 1.00 0.00 H new ATOM 0 HG2 GLU B 2 6.895 1.279 13.815 1.00 0.00 H new ATOM 0 HG3 GLU B 2 8.501 0.687 13.441 1.00 0.00 H new ATOM 1509 N LEU B 3 6.371 -2.013 10.038 1.00 0.00 N ATOM 1510 CA LEU B 3 5.589 -2.572 8.898 1.00 0.00 C ATOM 1511 C LEU B 3 4.757 -3.770 9.383 1.00 0.00 C ATOM 1512 O LEU B 3 3.786 -4.148 8.759 1.00 0.00 O ATOM 1513 CB LEU B 3 6.564 -3.021 7.784 1.00 0.00 C ATOM 1514 CG LEU B 3 6.628 -1.989 6.636 1.00 0.00 C ATOM 1515 CD1 LEU B 3 5.392 -2.140 5.732 1.00 0.00 C ATOM 1516 CD2 LEU B 3 6.714 -0.549 7.194 1.00 0.00 C ATOM 0 H LEU B 3 7.378 -2.169 9.987 1.00 0.00 H new ATOM 0 HA LEU B 3 4.917 -1.810 8.503 1.00 0.00 H new ATOM 0 HB2 LEU B 3 7.560 -3.160 8.205 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.247 -3.986 7.389 1.00 0.00 H new ATOM 0 HG LEU B 3 7.526 -2.177 6.048 1.00 0.00 H new ATOM 0 HD11 LEU B 3 5.441 -1.410 4.924 1.00 0.00 H new ATOM 0 HD12 LEU B 3 5.369 -3.146 5.312 1.00 0.00 H new ATOM 0 HD13 LEU B 3 4.489 -1.971 6.319 1.00 0.00 H new ATOM 0 HD21 LEU B 3 6.758 0.160 6.367 1.00 0.00 H new ATOM 0 HD22 LEU B 3 5.834 -0.342 7.803 1.00 0.00 H new ATOM 0 HD23 LEU B 3 7.611 -0.449 7.806 1.00 0.00 H new ATOM 1528 N GLU B 4 5.112 -4.359 10.491 1.00 0.00 N ATOM 1529 CA GLU B 4 4.313 -5.510 10.995 1.00 0.00 C ATOM 1530 C GLU B 4 2.980 -4.969 11.501 1.00 0.00 C ATOM 1531 O GLU B 4 1.969 -5.644 11.495 1.00 0.00 O ATOM 1532 CB GLU B 4 5.061 -6.203 12.135 1.00 0.00 C ATOM 1533 CG GLU B 4 4.162 -7.271 12.763 1.00 0.00 C ATOM 1534 CD GLU B 4 4.990 -8.156 13.696 1.00 0.00 C ATOM 1535 OE1 GLU B 4 6.122 -7.794 13.974 1.00 0.00 O ATOM 1536 OE2 GLU B 4 4.480 -9.182 14.116 1.00 0.00 O ATOM 0 H GLU B 4 5.913 -4.096 11.065 1.00 0.00 H new ATOM 0 HA GLU B 4 4.150 -6.237 10.199 1.00 0.00 H new ATOM 0 HB2 GLU B 4 5.977 -6.659 11.759 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.355 -5.472 12.888 1.00 0.00 H new ATOM 0 HG2 GLU B 4 3.352 -6.798 13.318 1.00 0.00 H new ATOM 0 HG3 GLU B 4 3.702 -7.878 11.983 1.00 0.00 H new ATOM 1543 N LYS B 5 2.983 -3.739 11.926 1.00 0.00 N ATOM 1544 CA LYS B 5 1.730 -3.107 12.426 1.00 0.00 C ATOM 1545 C LYS B 5 0.812 -2.853 11.230 1.00 0.00 C ATOM 1546 O LYS B 5 -0.360 -3.169 11.246 1.00 0.00 O ATOM 1547 CB LYS B 5 2.038 -1.757 13.120 1.00 0.00 C ATOM 1548 CG LYS B 5 3.394 -1.785 13.845 1.00 0.00 C ATOM 1549 CD LYS B 5 3.349 -2.735 15.055 1.00 0.00 C ATOM 1550 CE LYS B 5 4.761 -3.240 15.362 1.00 0.00 C ATOM 1551 NZ LYS B 5 4.739 -4.052 16.611 1.00 0.00 N ATOM 0 H LYS B 5 3.807 -3.138 11.949 1.00 0.00 H new ATOM 0 HA LYS B 5 1.255 -3.770 13.150 1.00 0.00 H new ATOM 0 HB2 LYS B 5 2.039 -0.959 12.378 1.00 0.00 H new ATOM 0 HB3 LYS B 5 1.248 -1.527 13.835 1.00 0.00 H new ATOM 0 HG2 LYS B 5 4.174 -2.106 13.154 1.00 0.00 H new ATOM 0 HG3 LYS B 5 3.655 -0.780 14.176 1.00 0.00 H new ATOM 0 HD2 LYS B 5 2.940 -2.217 15.922 1.00 0.00 H new ATOM 0 HD3 LYS B 5 2.688 -3.576 14.846 1.00 0.00 H new ATOM 0 HE2 LYS B 5 5.132 -3.841 14.532 1.00 0.00 H new ATOM 0 HE3 LYS B 5 5.443 -2.397 15.476 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 5.699 -4.395 16.819 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 4.402 -3.465 17.401 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 4.101 -4.864 16.486 1.00 0.00 H new ATOM 1565 N ALA B 6 1.350 -2.272 10.197 1.00 0.00 N ATOM 1566 CA ALA B 6 0.533 -1.974 8.991 1.00 0.00 C ATOM 1567 C ALA B 6 0.032 -3.268 8.363 1.00 0.00 C ATOM 1568 O ALA B 6 -1.149 -3.456 8.154 1.00 0.00 O ATOM 1569 CB ALA B 6 1.397 -1.225 7.978 1.00 0.00 C ATOM 0 H ALA B 6 2.328 -1.989 10.136 1.00 0.00 H new ATOM 0 HA ALA B 6 -0.323 -1.364 9.279 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.806 -1.002 7.090 1.00 0.00 H new ATOM 0 HB2 ALA B 6 1.752 -0.294 8.420 1.00 0.00 H new ATOM 0 HB3 ALA B 6 2.250 -1.843 7.700 1.00 0.00 H new ATOM 1575 N MET B 7 0.923 -4.157 8.051 1.00 0.00 N ATOM 1576 CA MET B 7 0.503 -5.437 7.424 1.00 0.00 C ATOM 1577 C MET B 7 -0.617 -6.071 8.244 1.00 0.00 C ATOM 1578 O MET B 7 -1.551 -6.628 7.707 1.00 0.00 O ATOM 1579 CB MET B 7 1.694 -6.401 7.379 1.00 0.00 C ATOM 1580 CG MET B 7 2.754 -5.896 6.395 1.00 0.00 C ATOM 1581 SD MET B 7 4.310 -6.777 6.701 1.00 0.00 S ATOM 1582 CE MET B 7 5.042 -6.591 5.054 1.00 0.00 C ATOM 0 H MET B 7 1.927 -4.055 8.202 1.00 0.00 H new ATOM 0 HA MET B 7 0.149 -5.238 6.413 1.00 0.00 H new ATOM 0 HB2 MET B 7 2.129 -6.498 8.374 1.00 0.00 H new ATOM 0 HB3 MET B 7 1.356 -7.393 7.081 1.00 0.00 H new ATOM 0 HG2 MET B 7 2.424 -6.060 5.369 1.00 0.00 H new ATOM 0 HG3 MET B 7 2.899 -4.822 6.516 1.00 0.00 H new ATOM 0 HE1 MET B 7 5.877 -7.283 4.947 1.00 0.00 H new ATOM 0 HE2 MET B 7 4.290 -6.809 4.295 1.00 0.00 H new ATOM 0 HE3 MET B 7 5.400 -5.569 4.928 1.00 0.00 H new ATOM 1592 N VAL B 8 -0.534 -6.000 9.540 1.00 0.00 N ATOM 1593 CA VAL B 8 -1.600 -6.613 10.380 1.00 0.00 C ATOM 1594 C VAL B 8 -2.803 -5.678 10.431 1.00 0.00 C ATOM 1595 O VAL B 8 -3.938 -6.109 10.377 1.00 0.00 O ATOM 1596 CB VAL B 8 -1.061 -6.853 11.796 1.00 0.00 C ATOM 1597 CG1 VAL B 8 -2.211 -7.236 12.736 1.00 0.00 C ATOM 1598 CG2 VAL B 8 -0.036 -7.989 11.758 1.00 0.00 C ATOM 0 H VAL B 8 0.221 -5.547 10.054 1.00 0.00 H new ATOM 0 HA VAL B 8 -1.905 -7.567 9.949 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.590 -5.941 12.162 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -1.820 -7.405 13.739 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -2.943 -6.429 12.763 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -2.688 -8.147 12.375 1.00 0.00 H new ATOM 0 HG21 VAL B 8 0.351 -8.164 12.762 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -0.513 -8.897 11.389 1.00 0.00 H new ATOM 0 HG23 VAL B 8 0.785 -7.716 11.095 1.00 0.00 H new ATOM 1608 N ALA B 9 -2.570 -4.404 10.537 1.00 0.00 N ATOM 1609 CA ALA B 9 -3.706 -3.452 10.593 1.00 0.00 C ATOM 1610 C ALA B 9 -4.494 -3.512 9.285 1.00 0.00 C ATOM 1611 O ALA B 9 -5.698 -3.349 9.274 1.00 0.00 O ATOM 1612 CB ALA B 9 -3.173 -2.033 10.804 1.00 0.00 C ATOM 0 H ALA B 9 -1.643 -3.981 10.587 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.362 -3.722 11.421 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -4.008 -1.333 10.845 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.616 -1.989 11.740 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.515 -1.765 9.977 1.00 0.00 H new ATOM 1618 N LEU B 10 -3.835 -3.727 8.173 1.00 0.00 N ATOM 1619 CA LEU B 10 -4.580 -3.772 6.880 1.00 0.00 C ATOM 1620 C LEU B 10 -5.240 -5.142 6.676 1.00 0.00 C ATOM 1621 O LEU B 10 -6.394 -5.215 6.352 1.00 0.00 O ATOM 1622 CB LEU B 10 -3.616 -3.466 5.714 1.00 0.00 C ATOM 1623 CG LEU B 10 -3.625 -1.963 5.404 1.00 0.00 C ATOM 1624 CD1 LEU B 10 -3.070 -1.189 6.599 1.00 0.00 C ATOM 1625 CD2 LEU B 10 -2.758 -1.695 4.178 1.00 0.00 C ATOM 0 H LEU B 10 -2.828 -3.871 8.105 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.367 -3.018 6.905 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.607 -3.786 5.973 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -3.912 -4.030 4.829 1.00 0.00 H new ATOM 0 HG LEU B 10 -4.647 -1.639 5.208 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -3.077 -0.122 6.377 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -3.688 -1.381 7.476 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -2.048 -1.511 6.798 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -2.763 -0.628 3.955 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -1.737 -2.020 4.377 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -3.154 -2.245 3.325 1.00 0.00 H new ATOM 1637 N ILE B 11 -4.527 -6.221 6.848 1.00 0.00 N ATOM 1638 CA ILE B 11 -5.147 -7.568 6.627 1.00 0.00 C ATOM 1639 C ILE B 11 -6.519 -7.618 7.306 1.00 0.00 C ATOM 1640 O ILE B 11 -7.409 -8.326 6.878 1.00 0.00 O ATOM 1641 CB ILE B 11 -4.231 -8.659 7.202 1.00 0.00 C ATOM 1642 CG1 ILE B 11 -3.026 -8.833 6.275 1.00 0.00 C ATOM 1643 CG2 ILE B 11 -4.990 -9.990 7.295 1.00 0.00 C ATOM 1644 CD1 ILE B 11 -1.961 -9.689 6.964 1.00 0.00 C ATOM 0 H ILE B 11 -3.547 -6.234 7.130 1.00 0.00 H new ATOM 0 HA ILE B 11 -5.273 -7.740 5.558 1.00 0.00 H new ATOM 0 HB ILE B 11 -3.902 -8.366 8.199 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -3.338 -9.305 5.343 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.611 -7.859 6.016 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -4.332 -10.757 7.704 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -5.856 -9.870 7.946 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -5.322 -10.290 6.301 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -1.105 -9.810 6.300 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.640 -9.200 7.884 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -2.378 -10.668 7.200 1.00 0.00 H new ATOM 1656 N ASP B 12 -6.699 -6.866 8.353 1.00 0.00 N ATOM 1657 CA ASP B 12 -8.019 -6.866 9.046 1.00 0.00 C ATOM 1658 C ASP B 12 -8.996 -5.981 8.271 1.00 0.00 C ATOM 1659 O ASP B 12 -10.103 -6.375 7.971 1.00 0.00 O ATOM 1660 CB ASP B 12 -7.855 -6.328 10.469 1.00 0.00 C ATOM 1661 CG ASP B 12 -9.195 -6.401 11.201 1.00 0.00 C ATOM 1662 OD1 ASP B 12 -9.788 -7.467 11.206 1.00 0.00 O ATOM 1663 OD2 ASP B 12 -9.607 -5.389 11.745 1.00 0.00 O ATOM 0 H ASP B 12 -5.993 -6.252 8.760 1.00 0.00 H new ATOM 0 HA ASP B 12 -8.406 -7.884 9.092 1.00 0.00 H new ATOM 0 HB2 ASP B 12 -7.104 -6.909 11.004 1.00 0.00 H new ATOM 0 HB3 ASP B 12 -7.500 -5.298 10.441 1.00 0.00 H new ATOM 1668 N VAL B 13 -8.590 -4.789 7.942 1.00 0.00 N ATOM 1669 CA VAL B 13 -9.486 -3.875 7.181 1.00 0.00 C ATOM 1670 C VAL B 13 -9.508 -4.301 5.710 1.00 0.00 C ATOM 1671 O VAL B 13 -10.466 -4.079 4.999 1.00 0.00 O ATOM 1672 CB VAL B 13 -8.968 -2.436 7.314 1.00 0.00 C ATOM 1673 CG1 VAL B 13 -9.871 -1.480 6.532 1.00 0.00 C ATOM 1674 CG2 VAL B 13 -8.962 -2.034 8.795 1.00 0.00 C ATOM 0 H VAL B 13 -7.672 -4.406 8.168 1.00 0.00 H new ATOM 0 HA VAL B 13 -10.500 -3.925 7.579 1.00 0.00 H new ATOM 0 HB VAL B 13 -7.956 -2.381 6.912 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -9.496 -0.461 6.632 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -9.876 -1.763 5.479 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -10.886 -1.533 6.927 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -8.595 -1.012 8.893 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -9.975 -2.095 9.193 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -8.312 -2.708 9.352 1.00 0.00 H new ATOM 1684 N PHE B 14 -8.456 -4.919 5.254 1.00 0.00 N ATOM 1685 CA PHE B 14 -8.414 -5.369 3.833 1.00 0.00 C ATOM 1686 C PHE B 14 -9.339 -6.582 3.661 1.00 0.00 C ATOM 1687 O PHE B 14 -10.124 -6.649 2.736 1.00 0.00 O ATOM 1688 CB PHE B 14 -6.967 -5.738 3.448 1.00 0.00 C ATOM 1689 CG PHE B 14 -6.961 -6.667 2.249 1.00 0.00 C ATOM 1690 CD1 PHE B 14 -7.660 -6.314 1.091 1.00 0.00 C ATOM 1691 CD2 PHE B 14 -6.270 -7.885 2.306 1.00 0.00 C ATOM 1692 CE1 PHE B 14 -7.669 -7.176 -0.012 1.00 0.00 C ATOM 1693 CE2 PHE B 14 -6.281 -8.748 1.205 1.00 0.00 C ATOM 1694 CZ PHE B 14 -6.980 -8.393 0.047 1.00 0.00 C ATOM 0 H PHE B 14 -7.623 -5.133 5.802 1.00 0.00 H new ATOM 0 HA PHE B 14 -8.754 -4.565 3.180 1.00 0.00 H new ATOM 0 HB2 PHE B 14 -6.403 -4.834 3.219 1.00 0.00 H new ATOM 0 HB3 PHE B 14 -6.471 -6.218 4.291 1.00 0.00 H new ATOM 0 HD1 PHE B 14 -8.193 -5.376 1.047 1.00 0.00 H new ATOM 0 HD2 PHE B 14 -5.729 -8.157 3.200 1.00 0.00 H new ATOM 0 HE1 PHE B 14 -8.207 -6.902 -0.908 1.00 0.00 H new ATOM 0 HE2 PHE B 14 -5.750 -9.687 1.249 1.00 0.00 H new ATOM 0 HZ PHE B 14 -6.988 -9.059 -0.803 1.00 0.00 H new ATOM 1704 N HIS B 15 -9.234 -7.547 4.532 1.00 0.00 N ATOM 1705 CA HIS B 15 -10.086 -8.763 4.402 1.00 0.00 C ATOM 1706 C HIS B 15 -11.532 -8.453 4.805 1.00 0.00 C ATOM 1707 O HIS B 15 -12.464 -8.988 4.240 1.00 0.00 O ATOM 1708 CB HIS B 15 -9.524 -9.872 5.304 1.00 0.00 C ATOM 1709 CG HIS B 15 -10.009 -11.215 4.824 1.00 0.00 C ATOM 1710 ND1 HIS B 15 -9.899 -11.848 3.611 1.00 0.00 N flip ATOM 1711 CD2 HIS B 15 -10.708 -12.087 5.644 1.00 0.00 C flip ATOM 1712 CE1 HIS B 15 -10.517 -13.093 3.674 1.00 0.00 C flip ATOM 1713 NE2 HIS B 15 -10.988 -13.187 4.921 1.00 0.00 N flip ATOM 0 H HIS B 15 -8.596 -7.547 5.328 1.00 0.00 H new ATOM 0 HA HIS B 15 -10.080 -9.091 3.363 1.00 0.00 H new ATOM 0 HB2 HIS B 15 -8.434 -9.844 5.294 1.00 0.00 H new ATOM 0 HB3 HIS B 15 -9.838 -9.709 6.335 1.00 0.00 H new ATOM 0 HD2 HIS B 15 -10.979 -11.915 6.675 1.00 0.00 H new ATOM 0 HE1 HIS B 15 -10.599 -13.826 2.885 1.00 0.00 H new ATOM 0 HE2 HIS B 15 -11.498 -13.994 5.281 1.00 0.00 H new ATOM 1721 N GLN B 16 -11.736 -7.605 5.775 1.00 0.00 N ATOM 1722 CA GLN B 16 -13.133 -7.292 6.195 1.00 0.00 C ATOM 1723 C GLN B 16 -13.870 -6.585 5.054 1.00 0.00 C ATOM 1724 O GLN B 16 -15.041 -6.814 4.819 1.00 0.00 O ATOM 1725 CB GLN B 16 -13.105 -6.385 7.429 1.00 0.00 C ATOM 1726 CG GLN B 16 -12.719 -7.209 8.661 1.00 0.00 C ATOM 1727 CD GLN B 16 -13.907 -8.071 9.095 1.00 0.00 C ATOM 1728 OE1 GLN B 16 -14.982 -7.969 8.539 1.00 0.00 O ATOM 1729 NE2 GLN B 16 -13.757 -8.922 10.073 1.00 0.00 N ATOM 0 H GLN B 16 -11.004 -7.118 6.292 1.00 0.00 H new ATOM 0 HA GLN B 16 -13.653 -8.219 6.438 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.391 -5.575 7.282 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -14.082 -5.925 7.578 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -11.861 -7.842 8.433 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -12.420 -6.548 9.474 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -12.854 -9.008 10.540 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -14.542 -9.501 10.370 1.00 0.00 H new ATOM 1738 N TYR B 17 -13.193 -5.738 4.329 1.00 0.00 N ATOM 1739 CA TYR B 17 -13.855 -5.027 3.196 1.00 0.00 C ATOM 1740 C TYR B 17 -13.679 -5.846 1.916 1.00 0.00 C ATOM 1741 O TYR B 17 -14.642 -6.256 1.298 1.00 0.00 O ATOM 1742 CB TYR B 17 -13.215 -3.642 3.029 1.00 0.00 C ATOM 1743 CG TYR B 17 -13.793 -2.685 4.051 1.00 0.00 C ATOM 1744 CD1 TYR B 17 -13.352 -2.725 5.381 1.00 0.00 C ATOM 1745 CD2 TYR B 17 -14.769 -1.756 3.668 1.00 0.00 C ATOM 1746 CE1 TYR B 17 -13.887 -1.839 6.324 1.00 0.00 C ATOM 1747 CE2 TYR B 17 -15.303 -0.871 4.613 1.00 0.00 C ATOM 1748 CZ TYR B 17 -14.862 -0.912 5.940 1.00 0.00 C ATOM 1749 OH TYR B 17 -15.389 -0.040 6.870 1.00 0.00 O ATOM 0 H TYR B 17 -12.210 -5.507 4.471 1.00 0.00 H new ATOM 0 HA TYR B 17 -14.919 -4.908 3.399 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -12.134 -3.713 3.153 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -13.396 -3.266 2.022 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -12.599 -3.440 5.679 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -15.110 -1.722 2.644 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -13.547 -1.871 7.349 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -16.056 -0.156 4.317 1.00 0.00 H new ATOM 0 HH TYR B 17 -14.716 0.152 7.556 1.00 0.00 H new ATOM 1759 N SER B 18 -12.467 -6.108 1.520 1.00 0.00 N ATOM 1760 CA SER B 18 -12.262 -6.917 0.290 1.00 0.00 C ATOM 1761 C SER B 18 -13.023 -8.235 0.444 1.00 0.00 C ATOM 1762 O SER B 18 -13.482 -8.820 -0.517 1.00 0.00 O ATOM 1763 CB SER B 18 -10.773 -7.209 0.107 1.00 0.00 C ATOM 1764 OG SER B 18 -10.385 -8.243 1.003 1.00 0.00 O ATOM 0 H SER B 18 -11.616 -5.800 1.990 1.00 0.00 H new ATOM 0 HA SER B 18 -12.626 -6.370 -0.580 1.00 0.00 H new ATOM 0 HB2 SER B 18 -10.573 -7.509 -0.922 1.00 0.00 H new ATOM 0 HB3 SER B 18 -10.188 -6.309 0.296 1.00 0.00 H new ATOM 0 HG SER B 18 -9.844 -7.863 1.726 1.00 0.00 H new ATOM 1770 N GLY B 19 -13.157 -8.707 1.659 1.00 0.00 N ATOM 1771 CA GLY B 19 -13.883 -9.990 1.903 1.00 0.00 C ATOM 1772 C GLY B 19 -15.356 -9.712 2.220 1.00 0.00 C ATOM 1773 O GLY B 19 -16.134 -10.626 2.410 1.00 0.00 O ATOM 0 H GLY B 19 -12.792 -8.255 2.497 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -13.807 -10.632 1.025 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -13.420 -10.527 2.731 1.00 0.00 H new ATOM 1777 N ARG B 20 -15.760 -8.469 2.257 1.00 0.00 N ATOM 1778 CA ARG B 20 -17.193 -8.167 2.536 1.00 0.00 C ATOM 1779 C ARG B 20 -18.041 -8.832 1.457 1.00 0.00 C ATOM 1780 O ARG B 20 -19.084 -9.397 1.723 1.00 0.00 O ATOM 1781 CB ARG B 20 -17.406 -6.646 2.490 1.00 0.00 C ATOM 1782 CG ARG B 20 -18.900 -6.296 2.634 1.00 0.00 C ATOM 1783 CD ARG B 20 -19.100 -4.796 2.409 1.00 0.00 C ATOM 1784 NE ARG B 20 -18.683 -4.048 3.627 1.00 0.00 N ATOM 1785 CZ ARG B 20 -18.614 -2.745 3.602 1.00 0.00 C ATOM 1786 NH1 ARG B 20 -18.912 -2.098 2.509 1.00 0.00 N ATOM 1787 NH2 ARG B 20 -18.248 -2.091 4.669 1.00 0.00 N ATOM 0 H ARG B 20 -15.163 -7.655 2.107 1.00 0.00 H new ATOM 0 HA ARG B 20 -17.477 -8.541 3.520 1.00 0.00 H new ATOM 0 HB2 ARG B 20 -16.838 -6.171 3.290 1.00 0.00 H new ATOM 0 HB3 ARG B 20 -17.024 -6.249 1.549 1.00 0.00 H new ATOM 0 HG2 ARG B 20 -19.488 -6.864 1.913 1.00 0.00 H new ATOM 0 HG3 ARG B 20 -19.255 -6.576 3.626 1.00 0.00 H new ATOM 0 HD2 ARG B 20 -18.516 -4.466 1.550 1.00 0.00 H new ATOM 0 HD3 ARG B 20 -20.146 -4.588 2.183 1.00 0.00 H new ATOM 0 HE ARG B 20 -18.451 -4.554 4.482 1.00 0.00 H new ATOM 0 HH11 ARG B 20 -19.199 -2.611 1.675 1.00 0.00 H new ATOM 0 HH12 ARG B 20 -18.858 -1.080 2.488 1.00 0.00 H new ATOM 0 HH21 ARG B 20 -18.016 -2.598 5.523 1.00 0.00 H new ATOM 0 HH22 ARG B 20 -18.194 -1.073 4.650 1.00 0.00 H new ATOM 1801 N GLU B 21 -17.593 -8.766 0.237 1.00 0.00 N ATOM 1802 CA GLU B 21 -18.361 -9.390 -0.882 1.00 0.00 C ATOM 1803 C GLU B 21 -17.401 -9.786 -2.008 1.00 0.00 C ATOM 1804 O GLU B 21 -16.240 -9.428 -2.004 1.00 0.00 O ATOM 1805 CB GLU B 21 -19.400 -8.391 -1.406 1.00 0.00 C ATOM 1806 CG GLU B 21 -18.802 -6.982 -1.423 1.00 0.00 C ATOM 1807 CD GLU B 21 -19.809 -6.008 -2.037 1.00 0.00 C ATOM 1808 OE1 GLU B 21 -20.494 -6.404 -2.966 1.00 0.00 O ATOM 1809 OE2 GLU B 21 -19.879 -4.884 -1.569 1.00 0.00 O ATOM 0 H GLU B 21 -16.725 -8.306 -0.038 1.00 0.00 H new ATOM 0 HA GLU B 21 -18.871 -10.283 -0.521 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -19.716 -8.674 -2.410 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -20.288 -8.411 -0.775 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -18.550 -6.670 -0.409 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -17.876 -6.975 -1.998 1.00 0.00 H new ATOM 1816 N GLY B 22 -17.881 -10.529 -2.972 1.00 0.00 N ATOM 1817 CA GLY B 22 -17.006 -10.962 -4.104 1.00 0.00 C ATOM 1818 C GLY B 22 -16.433 -12.347 -3.805 1.00 0.00 C ATOM 1819 O GLY B 22 -16.861 -13.022 -2.890 1.00 0.00 O ATOM 0 H GLY B 22 -18.846 -10.856 -3.024 1.00 0.00 H new ATOM 0 HA2 GLY B 22 -17.578 -10.986 -5.031 1.00 0.00 H new ATOM 0 HA3 GLY B 22 -16.197 -10.245 -4.247 1.00 0.00 H new ATOM 1823 N ASP B 23 -15.464 -12.777 -4.567 1.00 0.00 N ATOM 1824 CA ASP B 23 -14.866 -14.118 -4.319 1.00 0.00 C ATOM 1825 C ASP B 23 -14.484 -14.228 -2.843 1.00 0.00 C ATOM 1826 O ASP B 23 -15.073 -14.981 -2.095 1.00 0.00 O ATOM 1827 CB ASP B 23 -13.617 -14.291 -5.186 1.00 0.00 C ATOM 1828 CG ASP B 23 -13.956 -13.963 -6.641 1.00 0.00 C ATOM 1829 OD1 ASP B 23 -14.596 -14.783 -7.279 1.00 0.00 O ATOM 1830 OD2 ASP B 23 -13.571 -12.898 -7.092 1.00 0.00 O ATOM 0 H ASP B 23 -15.062 -12.259 -5.348 1.00 0.00 H new ATOM 0 HA ASP B 23 -15.588 -14.895 -4.571 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -12.821 -13.636 -4.831 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -13.247 -15.313 -5.109 1.00 0.00 H new ATOM 1835 N LYS B 24 -13.504 -13.477 -2.416 1.00 0.00 N ATOM 1836 CA LYS B 24 -13.094 -13.536 -0.984 1.00 0.00 C ATOM 1837 C LYS B 24 -11.934 -12.555 -0.745 1.00 0.00 C ATOM 1838 O LYS B 24 -11.524 -12.338 0.378 1.00 0.00 O ATOM 1839 CB LYS B 24 -12.658 -14.987 -0.633 1.00 0.00 C ATOM 1840 CG LYS B 24 -13.565 -15.589 0.453 1.00 0.00 C ATOM 1841 CD LYS B 24 -13.205 -14.985 1.814 1.00 0.00 C ATOM 1842 CE LYS B 24 -14.111 -15.584 2.891 1.00 0.00 C ATOM 1843 NZ LYS B 24 -13.779 -14.980 4.212 1.00 0.00 N ATOM 0 H LYS B 24 -12.972 -12.828 -2.995 1.00 0.00 H new ATOM 0 HA LYS B 24 -13.931 -13.254 -0.345 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -12.695 -15.608 -1.528 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -11.624 -14.986 -0.288 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -14.611 -15.389 0.220 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -13.446 -16.672 0.481 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -12.160 -15.187 2.049 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -13.322 -13.902 1.786 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -15.157 -15.398 2.646 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -13.981 -16.665 2.931 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -13.446 -15.723 4.859 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -13.032 -14.267 4.090 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -14.627 -14.528 4.610 1.00 0.00 H new ATOM 1857 N HIS B 25 -11.395 -11.963 -1.782 1.00 0.00 N ATOM 1858 CA HIS B 25 -10.261 -11.011 -1.577 1.00 0.00 C ATOM 1859 C HIS B 25 -10.195 -9.982 -2.708 1.00 0.00 C ATOM 1860 O HIS B 25 -9.136 -9.726 -3.247 1.00 0.00 O ATOM 1861 CB HIS B 25 -8.937 -11.786 -1.534 1.00 0.00 C ATOM 1862 CG HIS B 25 -9.092 -13.039 -0.715 1.00 0.00 C ATOM 1863 ND1 HIS B 25 -9.122 -14.365 -1.071 1.00 0.00 N flip ATOM 1864 CD2 HIS B 25 -9.218 -13.013 0.668 1.00 0.00 C flip ATOM 1865 CE1 HIS B 25 -9.263 -15.147 0.069 1.00 0.00 C flip ATOM 1866 NE2 HIS B 25 -9.316 -14.288 1.088 1.00 0.00 N flip ATOM 0 H HIS B 25 -11.687 -12.095 -2.750 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.425 -10.489 -0.634 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -8.624 -12.041 -2.546 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -8.154 -11.159 -1.107 1.00 0.00 H new ATOM 0 HD1 HIS B 25 -9.052 -14.721 -2.024 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -9.234 -12.132 1.292 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.318 -16.224 0.119 1.00 0.00 H new ATOM 1874 N LYS B 26 -11.299 -9.370 -3.066 1.00 0.00 N ATOM 1875 CA LYS B 26 -11.283 -8.338 -4.151 1.00 0.00 C ATOM 1876 C LYS B 26 -12.033 -7.110 -3.637 1.00 0.00 C ATOM 1877 O LYS B 26 -12.977 -7.226 -2.880 1.00 0.00 O ATOM 1878 CB LYS B 26 -11.992 -8.890 -5.391 1.00 0.00 C ATOM 1879 CG LYS B 26 -11.745 -7.968 -6.599 1.00 0.00 C ATOM 1880 CD LYS B 26 -12.044 -8.720 -7.910 1.00 0.00 C ATOM 1881 CE LYS B 26 -10.803 -9.497 -8.370 1.00 0.00 C ATOM 1882 NZ LYS B 26 -11.148 -10.322 -9.561 1.00 0.00 N ATOM 0 H LYS B 26 -12.215 -9.542 -2.651 1.00 0.00 H new ATOM 0 HA LYS B 26 -10.259 -8.077 -4.418 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -11.628 -9.894 -5.610 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -13.062 -8.973 -5.200 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -12.377 -7.083 -6.526 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -10.711 -7.622 -6.597 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -12.878 -9.406 -7.762 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -12.346 -8.013 -8.683 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -9.997 -8.805 -8.615 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -10.441 -10.136 -7.564 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -10.308 -10.849 -9.874 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -11.904 -10.992 -9.312 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -11.474 -9.702 -10.330 1.00 0.00 H new ATOM 1896 N LEU B 27 -11.607 -5.933 -4.010 1.00 0.00 N ATOM 1897 CA LEU B 27 -12.282 -4.695 -3.505 1.00 0.00 C ATOM 1898 C LEU B 27 -13.367 -4.225 -4.491 1.00 0.00 C ATOM 1899 O LEU B 27 -13.112 -3.981 -5.653 1.00 0.00 O ATOM 1900 CB LEU B 27 -11.201 -3.598 -3.325 1.00 0.00 C ATOM 1901 CG LEU B 27 -11.547 -2.556 -2.225 1.00 0.00 C ATOM 1902 CD1 LEU B 27 -12.662 -1.616 -2.687 1.00 0.00 C ATOM 1903 CD2 LEU B 27 -11.927 -3.239 -0.897 1.00 0.00 C ATOM 0 H LEU B 27 -10.822 -5.772 -4.641 1.00 0.00 H new ATOM 0 HA LEU B 27 -12.772 -4.901 -2.553 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -10.252 -4.073 -3.078 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -11.061 -3.079 -4.273 1.00 0.00 H new ATOM 0 HG LEU B 27 -10.651 -1.962 -2.049 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -12.883 -0.898 -1.897 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -12.341 -1.083 -3.582 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.557 -2.196 -2.911 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -12.162 -2.479 -0.152 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -12.797 -3.877 -1.052 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -11.091 -3.844 -0.547 1.00 0.00 H new ATOM 1915 N LYS B 28 -14.572 -4.054 -3.994 1.00 0.00 N ATOM 1916 CA LYS B 28 -15.699 -3.549 -4.838 1.00 0.00 C ATOM 1917 C LYS B 28 -15.989 -2.097 -4.441 1.00 0.00 C ATOM 1918 O LYS B 28 -15.740 -1.690 -3.330 1.00 0.00 O ATOM 1919 CB LYS B 28 -16.947 -4.394 -4.593 1.00 0.00 C ATOM 1920 CG LYS B 28 -16.768 -5.769 -5.234 1.00 0.00 C ATOM 1921 CD LYS B 28 -18.109 -6.495 -5.239 1.00 0.00 C ATOM 1922 CE LYS B 28 -17.919 -7.931 -5.744 1.00 0.00 C ATOM 1923 NZ LYS B 28 -16.834 -7.964 -6.766 1.00 0.00 N ATOM 0 H LYS B 28 -14.823 -4.247 -3.024 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.428 -3.609 -5.892 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -17.122 -4.501 -3.522 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -17.823 -3.898 -5.011 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -16.394 -5.663 -6.252 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -16.029 -6.348 -4.681 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -18.531 -6.506 -4.234 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -18.817 -5.966 -5.877 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -17.669 -8.589 -4.912 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -18.849 -8.301 -6.175 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -16.905 -8.841 -7.320 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -16.930 -7.145 -7.400 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -15.909 -7.928 -6.292 1.00 0.00 H new ATOM 1937 N LYS B 29 -16.509 -1.308 -5.334 1.00 0.00 N ATOM 1938 CA LYS B 29 -16.794 0.117 -4.986 1.00 0.00 C ATOM 1939 C LYS B 29 -17.519 0.200 -3.628 1.00 0.00 C ATOM 1940 O LYS B 29 -17.166 0.992 -2.776 1.00 0.00 O ATOM 1941 CB LYS B 29 -17.666 0.739 -6.094 1.00 0.00 C ATOM 1942 CG LYS B 29 -17.464 2.262 -6.157 1.00 0.00 C ATOM 1943 CD LYS B 29 -18.005 2.796 -7.488 1.00 0.00 C ATOM 1944 CE LYS B 29 -19.484 2.428 -7.635 1.00 0.00 C ATOM 1945 NZ LYS B 29 -19.600 1.010 -8.079 1.00 0.00 N ATOM 0 H LYS B 29 -16.750 -1.582 -6.287 1.00 0.00 H new ATOM 0 HA LYS B 29 -15.856 0.667 -4.907 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -17.412 0.294 -7.056 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -18.716 0.514 -5.906 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -17.978 2.742 -5.325 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -16.406 2.503 -6.060 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -17.885 3.878 -7.531 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -17.433 2.378 -8.317 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -20.001 2.567 -6.685 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -19.964 3.087 -8.358 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -20.339 0.933 -8.806 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -18.691 0.695 -8.474 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -19.850 0.411 -7.266 1.00 0.00 H new ATOM 1959 N SER B 30 -18.532 -0.601 -3.426 1.00 0.00 N ATOM 1960 CA SER B 30 -19.288 -0.561 -2.132 1.00 0.00 C ATOM 1961 C SER B 30 -18.326 -0.603 -0.934 1.00 0.00 C ATOM 1962 O SER B 30 -18.709 -0.341 0.189 1.00 0.00 O ATOM 1963 CB SER B 30 -20.228 -1.766 -2.062 1.00 0.00 C ATOM 1964 OG SER B 30 -21.308 -1.573 -2.965 1.00 0.00 O ATOM 0 H SER B 30 -18.872 -1.285 -4.102 1.00 0.00 H new ATOM 0 HA SER B 30 -19.857 0.368 -2.090 1.00 0.00 H new ATOM 0 HB2 SER B 30 -19.687 -2.678 -2.314 1.00 0.00 H new ATOM 0 HB3 SER B 30 -20.605 -1.889 -1.047 1.00 0.00 H new ATOM 0 HG SER B 30 -21.911 -2.344 -2.923 1.00 0.00 H new ATOM 1970 N GLU B 31 -17.074 -0.880 -1.173 1.00 0.00 N ATOM 1971 CA GLU B 31 -16.080 -0.900 -0.054 1.00 0.00 C ATOM 1972 C GLU B 31 -15.303 0.397 -0.085 1.00 0.00 C ATOM 1973 O GLU B 31 -15.085 1.028 0.918 1.00 0.00 O ATOM 1974 CB GLU B 31 -15.122 -2.079 -0.223 1.00 0.00 C ATOM 1975 CG GLU B 31 -15.768 -3.371 0.280 1.00 0.00 C ATOM 1976 CD GLU B 31 -16.805 -3.867 -0.729 1.00 0.00 C ATOM 1977 OE1 GLU B 31 -17.786 -3.172 -0.934 1.00 0.00 O ATOM 1978 OE2 GLU B 31 -16.601 -4.938 -1.277 1.00 0.00 O ATOM 0 H GLU B 31 -16.692 -1.094 -2.094 1.00 0.00 H new ATOM 0 HA GLU B 31 -16.597 -1.008 0.899 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -14.850 -2.186 -1.273 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -14.201 -1.888 0.327 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -15.004 -4.133 0.433 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -16.243 -3.197 1.246 1.00 0.00 H new ATOM 1985 N LEU B 32 -14.879 0.797 -1.232 1.00 0.00 N ATOM 1986 CA LEU B 32 -14.107 2.059 -1.319 1.00 0.00 C ATOM 1987 C LEU B 32 -14.966 3.211 -0.784 1.00 0.00 C ATOM 1988 O LEU B 32 -14.568 3.918 0.119 1.00 0.00 O ATOM 1989 CB LEU B 32 -13.681 2.297 -2.790 1.00 0.00 C ATOM 1990 CG LEU B 32 -12.174 2.594 -2.886 1.00 0.00 C ATOM 1991 CD1 LEU B 32 -11.725 2.509 -4.348 1.00 0.00 C ATOM 1992 CD2 LEU B 32 -11.899 3.999 -2.348 1.00 0.00 C ATOM 0 H LEU B 32 -15.029 0.311 -2.116 1.00 0.00 H new ATOM 0 HA LEU B 32 -13.204 1.999 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -13.921 1.418 -3.389 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -14.247 3.131 -3.206 1.00 0.00 H new ATOM 0 HG LEU B 32 -11.621 1.863 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -10.658 2.720 -4.414 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -11.921 1.508 -4.731 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -12.276 3.239 -4.941 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -10.832 4.212 -2.415 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -12.452 4.729 -2.938 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -12.216 4.058 -1.307 1.00 0.00 H new ATOM 2004 N LYS B 33 -16.137 3.404 -1.313 1.00 0.00 N ATOM 2005 CA LYS B 33 -16.996 4.500 -0.808 1.00 0.00 C ATOM 2006 C LYS B 33 -17.350 4.226 0.659 1.00 0.00 C ATOM 2007 O LYS B 33 -17.405 5.125 1.475 1.00 0.00 O ATOM 2008 CB LYS B 33 -18.265 4.536 -1.659 1.00 0.00 C ATOM 2009 CG LYS B 33 -18.925 5.915 -1.578 1.00 0.00 C ATOM 2010 CD LYS B 33 -20.270 5.876 -2.323 1.00 0.00 C ATOM 2011 CE LYS B 33 -21.385 5.402 -1.381 1.00 0.00 C ATOM 2012 NZ LYS B 33 -22.697 5.491 -2.082 1.00 0.00 N ATOM 0 H LYS B 33 -16.535 2.851 -2.072 1.00 0.00 H new ATOM 0 HA LYS B 33 -16.481 5.458 -0.871 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -18.022 4.303 -2.696 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -18.962 3.772 -1.316 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -19.080 6.196 -0.537 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -18.273 6.670 -2.018 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -20.508 6.867 -2.710 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -20.200 5.207 -3.181 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -21.198 4.376 -1.066 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -21.400 6.015 -0.480 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -23.454 5.170 -1.445 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -22.875 6.477 -2.362 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -22.679 4.888 -2.929 1.00 0.00 H new ATOM 2026 N GLU B 34 -17.616 2.990 0.990 1.00 0.00 N ATOM 2027 CA GLU B 34 -17.998 2.669 2.401 1.00 0.00 C ATOM 2028 C GLU B 34 -16.762 2.720 3.299 1.00 0.00 C ATOM 2029 O GLU B 34 -16.840 3.051 4.465 1.00 0.00 O ATOM 2030 CB GLU B 34 -18.630 1.275 2.465 1.00 0.00 C ATOM 2031 CG GLU B 34 -19.160 1.004 3.877 1.00 0.00 C ATOM 2032 CD GLU B 34 -20.315 1.960 4.187 1.00 0.00 C ATOM 2033 OE1 GLU B 34 -20.908 2.464 3.248 1.00 0.00 O ATOM 2034 OE2 GLU B 34 -20.584 2.173 5.358 1.00 0.00 O ATOM 0 H GLU B 34 -17.586 2.194 0.353 1.00 0.00 H new ATOM 0 HA GLU B 34 -18.722 3.405 2.750 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -19.443 1.202 1.742 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -17.893 0.520 2.193 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -19.499 -0.029 3.957 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -18.361 1.135 4.607 1.00 0.00 H new ATOM 2041 N LEU B 35 -15.625 2.399 2.764 1.00 0.00 N ATOM 2042 CA LEU B 35 -14.378 2.428 3.572 1.00 0.00 C ATOM 2043 C LEU B 35 -13.935 3.886 3.737 1.00 0.00 C ATOM 2044 O LEU B 35 -13.363 4.262 4.741 1.00 0.00 O ATOM 2045 CB LEU B 35 -13.300 1.611 2.842 1.00 0.00 C ATOM 2046 CG LEU B 35 -11.991 1.570 3.659 1.00 0.00 C ATOM 2047 CD1 LEU B 35 -12.068 0.471 4.722 1.00 0.00 C ATOM 2048 CD2 LEU B 35 -10.813 1.275 2.724 1.00 0.00 C ATOM 0 H LEU B 35 -15.502 2.115 1.792 1.00 0.00 H new ATOM 0 HA LEU B 35 -14.542 1.995 4.559 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -13.660 0.596 2.673 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -13.108 2.048 1.862 1.00 0.00 H new ATOM 0 HG LEU B 35 -11.849 2.535 4.145 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -11.139 0.451 5.292 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -12.902 0.672 5.394 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -12.217 -0.494 4.238 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -9.889 1.246 3.301 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -10.967 0.312 2.237 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -10.744 2.057 1.968 1.00 0.00 H new ATOM 2060 N ILE B 36 -14.205 4.709 2.763 1.00 0.00 N ATOM 2061 CA ILE B 36 -13.811 6.143 2.864 1.00 0.00 C ATOM 2062 C ILE B 36 -14.692 6.825 3.919 1.00 0.00 C ATOM 2063 O ILE B 36 -14.239 7.654 4.683 1.00 0.00 O ATOM 2064 CB ILE B 36 -14.001 6.808 1.489 1.00 0.00 C ATOM 2065 CG1 ILE B 36 -12.874 6.355 0.555 1.00 0.00 C ATOM 2066 CG2 ILE B 36 -13.967 8.336 1.617 1.00 0.00 C ATOM 2067 CD1 ILE B 36 -13.235 6.707 -0.890 1.00 0.00 C ATOM 0 H ILE B 36 -14.682 4.451 1.899 1.00 0.00 H new ATOM 0 HA ILE B 36 -12.766 6.236 3.161 1.00 0.00 H new ATOM 0 HB ILE B 36 -14.970 6.513 1.085 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -11.938 6.839 0.835 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -12.718 5.280 0.651 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -14.103 8.787 0.634 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -14.768 8.663 2.280 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -13.006 8.645 2.028 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -12.433 6.385 -1.554 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -14.161 6.202 -1.167 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -13.369 7.785 -0.979 1.00 0.00 H new ATOM 2079 N ASN B 37 -15.949 6.482 3.954 1.00 0.00 N ATOM 2080 CA ASN B 37 -16.878 7.102 4.945 1.00 0.00 C ATOM 2081 C ASN B 37 -16.760 6.413 6.312 1.00 0.00 C ATOM 2082 O ASN B 37 -17.117 6.978 7.327 1.00 0.00 O ATOM 2083 CB ASN B 37 -18.316 6.964 4.436 1.00 0.00 C ATOM 2084 CG ASN B 37 -19.290 7.500 5.489 1.00 0.00 C ATOM 2085 OD1 ASN B 37 -19.895 8.536 5.301 1.00 0.00 O ATOM 2086 ND2 ASN B 37 -19.467 6.833 6.596 1.00 0.00 N ATOM 0 H ASN B 37 -16.378 5.794 3.335 1.00 0.00 H new ATOM 0 HA ASN B 37 -16.614 8.153 5.061 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -18.436 7.514 3.502 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -18.537 5.919 4.221 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -20.114 7.182 7.304 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -18.959 5.963 6.754 1.00 0.00 H new ATOM 2093 N ASN B 38 -16.311 5.182 6.344 1.00 0.00 N ATOM 2094 CA ASN B 38 -16.224 4.443 7.648 1.00 0.00 C ATOM 2095 C ASN B 38 -14.797 4.446 8.215 1.00 0.00 C ATOM 2096 O ASN B 38 -14.606 4.605 9.405 1.00 0.00 O ATOM 2097 CB ASN B 38 -16.664 2.994 7.428 1.00 0.00 C ATOM 2098 CG ASN B 38 -18.136 2.962 7.010 1.00 0.00 C ATOM 2099 OD1 ASN B 38 -18.738 3.993 6.784 1.00 0.00 O ATOM 2100 ND2 ASN B 38 -18.743 1.812 6.897 1.00 0.00 N ATOM 0 H ASN B 38 -16.001 4.656 5.527 1.00 0.00 H new ATOM 0 HA ASN B 38 -16.874 4.947 8.364 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -16.047 2.529 6.659 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -16.523 2.418 8.342 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -19.724 1.778 6.619 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -18.237 0.947 7.087 1.00 0.00 H new ATOM 2107 N GLU B 39 -13.795 4.247 7.396 1.00 0.00 N ATOM 2108 CA GLU B 39 -12.387 4.211 7.918 1.00 0.00 C ATOM 2109 C GLU B 39 -11.685 5.550 7.668 1.00 0.00 C ATOM 2110 O GLU B 39 -11.402 6.294 8.586 1.00 0.00 O ATOM 2111 CB GLU B 39 -11.625 3.087 7.198 1.00 0.00 C ATOM 2112 CG GLU B 39 -10.406 2.662 8.023 1.00 0.00 C ATOM 2113 CD GLU B 39 -10.868 1.917 9.277 1.00 0.00 C ATOM 2114 OE1 GLU B 39 -12.036 1.567 9.338 1.00 0.00 O ATOM 2115 OE2 GLU B 39 -10.047 1.708 10.155 1.00 0.00 O ATOM 0 H GLU B 39 -13.887 4.108 6.390 1.00 0.00 H new ATOM 0 HA GLU B 39 -12.405 4.028 8.992 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -12.284 2.233 7.042 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -11.306 3.427 6.213 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -9.756 2.022 7.426 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -9.821 3.538 8.303 1.00 0.00 H new ATOM 2122 N LEU B 40 -11.389 5.855 6.436 1.00 0.00 N ATOM 2123 CA LEU B 40 -10.690 7.138 6.133 1.00 0.00 C ATOM 2124 C LEU B 40 -11.686 8.299 6.226 1.00 0.00 C ATOM 2125 O LEU B 40 -11.633 9.233 5.455 1.00 0.00 O ATOM 2126 CB LEU B 40 -10.080 7.077 4.718 1.00 0.00 C ATOM 2127 CG LEU B 40 -9.664 5.639 4.365 1.00 0.00 C ATOM 2128 CD1 LEU B 40 -8.998 5.639 2.990 1.00 0.00 C ATOM 2129 CD2 LEU B 40 -8.670 5.093 5.400 1.00 0.00 C ATOM 0 H LEU B 40 -11.600 5.273 5.625 1.00 0.00 H new ATOM 0 HA LEU B 40 -9.890 7.295 6.857 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -10.804 7.440 3.989 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -9.213 7.735 4.662 1.00 0.00 H new ATOM 0 HG LEU B 40 -10.552 5.006 4.361 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -8.699 4.623 2.730 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -9.701 6.012 2.245 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -8.118 6.282 3.012 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -8.388 4.075 5.132 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -7.781 5.723 5.418 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -9.135 5.093 6.386 1.00 0.00 H new ATOM 2141 N SER B 41 -12.594 8.256 7.167 1.00 0.00 N ATOM 2142 CA SER B 41 -13.585 9.364 7.302 1.00 0.00 C ATOM 2143 C SER B 41 -13.020 10.455 8.216 1.00 0.00 C ATOM 2144 O SER B 41 -13.487 11.577 8.216 1.00 0.00 O ATOM 2145 CB SER B 41 -14.879 8.807 7.906 1.00 0.00 C ATOM 2146 OG SER B 41 -14.872 9.009 9.315 1.00 0.00 O ATOM 0 H SER B 41 -12.691 7.502 7.847 1.00 0.00 H new ATOM 0 HA SER B 41 -13.791 9.792 6.321 1.00 0.00 H new ATOM 0 HB2 SER B 41 -15.743 9.302 7.462 1.00 0.00 H new ATOM 0 HB3 SER B 41 -14.970 7.744 7.681 1.00 0.00 H new ATOM 0 HG SER B 41 -15.700 8.654 9.700 1.00 0.00 H new ATOM 2152 N HIS B 42 -12.018 10.141 8.995 1.00 0.00 N ATOM 2153 CA HIS B 42 -11.426 11.164 9.905 1.00 0.00 C ATOM 2154 C HIS B 42 -10.333 11.928 9.157 1.00 0.00 C ATOM 2155 O HIS B 42 -10.056 13.076 9.446 1.00 0.00 O ATOM 2156 CB HIS B 42 -10.816 10.469 11.125 1.00 0.00 C ATOM 2157 CG HIS B 42 -11.911 9.872 11.965 1.00 0.00 C ATOM 2158 ND1 HIS B 42 -12.253 10.382 13.211 1.00 0.00 N ATOM 2159 CD2 HIS B 42 -12.753 8.807 11.752 1.00 0.00 C ATOM 2160 CE1 HIS B 42 -13.260 9.630 13.694 1.00 0.00 C ATOM 2161 NE2 HIS B 42 -13.600 8.660 12.844 1.00 0.00 N ATOM 0 H HIS B 42 -11.584 9.219 9.040 1.00 0.00 H new ATOM 0 HA HIS B 42 -12.201 11.857 10.232 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -10.124 9.690 10.804 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -10.241 11.184 11.714 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -12.756 8.181 10.872 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -13.734 9.792 14.651 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -14.329 7.958 12.969 1.00 0.00 H new ATOM 2170 N PHE B 43 -9.711 11.294 8.195 1.00 0.00 N ATOM 2171 CA PHE B 43 -8.630 11.963 7.407 1.00 0.00 C ATOM 2172 C PHE B 43 -9.152 12.292 6.007 1.00 0.00 C ATOM 2173 O PHE B 43 -8.880 13.347 5.469 1.00 0.00 O ATOM 2174 CB PHE B 43 -7.433 11.019 7.292 1.00 0.00 C ATOM 2175 CG PHE B 43 -6.940 10.664 8.674 1.00 0.00 C ATOM 2176 CD1 PHE B 43 -6.058 11.519 9.344 1.00 0.00 C ATOM 2177 CD2 PHE B 43 -7.368 9.479 9.286 1.00 0.00 C ATOM 2178 CE1 PHE B 43 -5.602 11.190 10.626 1.00 0.00 C ATOM 2179 CE2 PHE B 43 -6.913 9.150 10.568 1.00 0.00 C ATOM 2180 CZ PHE B 43 -6.030 10.006 11.238 1.00 0.00 C ATOM 0 H PHE B 43 -9.908 10.332 7.919 1.00 0.00 H new ATOM 0 HA PHE B 43 -8.326 12.882 7.908 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -7.719 10.116 6.753 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -6.635 11.493 6.720 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -5.729 12.433 8.872 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -8.049 8.819 8.769 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -4.920 11.849 11.143 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -7.243 8.236 11.040 1.00 0.00 H new ATOM 0 HZ PHE B 43 -5.679 9.753 12.227 1.00 0.00 H new ATOM 2190 N LEU B 44 -9.901 11.392 5.410 1.00 0.00 N ATOM 2191 CA LEU B 44 -10.448 11.643 4.038 1.00 0.00 C ATOM 2192 C LEU B 44 -11.928 12.032 4.147 1.00 0.00 C ATOM 2193 O LEU B 44 -12.715 11.352 4.775 1.00 0.00 O ATOM 2194 CB LEU B 44 -10.287 10.362 3.185 1.00 0.00 C ATOM 2195 CG LEU B 44 -9.996 10.717 1.714 1.00 0.00 C ATOM 2196 CD1 LEU B 44 -8.628 11.428 1.581 1.00 0.00 C ATOM 2197 CD2 LEU B 44 -9.996 9.423 0.889 1.00 0.00 C ATOM 0 H LEU B 44 -10.157 10.492 5.816 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.904 12.457 3.560 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.476 9.753 3.584 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.195 9.762 3.246 1.00 0.00 H new ATOM 0 HG LEU B 44 -10.765 11.397 1.348 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -8.444 11.669 0.534 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -8.636 12.346 2.169 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -7.839 10.770 1.946 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.791 9.657 -0.156 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -9.226 8.750 1.267 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.970 8.941 0.968 1.00 0.00 H new ATOM 2209 N GLU B 45 -12.309 13.126 3.543 1.00 0.00 N ATOM 2210 CA GLU B 45 -13.731 13.565 3.616 1.00 0.00 C ATOM 2211 C GLU B 45 -14.643 12.438 3.131 1.00 0.00 C ATOM 2212 O GLU B 45 -14.341 11.747 2.178 1.00 0.00 O ATOM 2213 CB GLU B 45 -13.933 14.797 2.729 1.00 0.00 C ATOM 2214 CG GLU B 45 -13.083 15.957 3.253 1.00 0.00 C ATOM 2215 CD GLU B 45 -13.600 16.394 4.625 1.00 0.00 C ATOM 2216 OE1 GLU B 45 -14.742 16.816 4.699 1.00 0.00 O ATOM 2217 OE2 GLU B 45 -12.844 16.300 5.578 1.00 0.00 O ATOM 0 H GLU B 45 -11.695 13.735 3.002 1.00 0.00 H new ATOM 0 HA GLU B 45 -13.978 13.813 4.648 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -13.655 14.566 1.701 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -14.985 15.081 2.719 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -12.039 15.652 3.327 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -13.122 16.794 2.555 1.00 0.00 H new ATOM 2224 N GLU B 46 -15.761 12.248 3.779 1.00 0.00 N ATOM 2225 CA GLU B 46 -16.694 11.170 3.351 1.00 0.00 C ATOM 2226 C GLU B 46 -17.346 11.569 2.024 1.00 0.00 C ATOM 2227 O GLU B 46 -18.223 12.408 1.981 1.00 0.00 O ATOM 2228 CB GLU B 46 -17.779 10.966 4.424 1.00 0.00 C ATOM 2229 CG GLU B 46 -18.228 12.322 5.000 1.00 0.00 C ATOM 2230 CD GLU B 46 -17.288 12.751 6.131 1.00 0.00 C ATOM 2231 OE1 GLU B 46 -17.430 12.227 7.224 1.00 0.00 O ATOM 2232 OE2 GLU B 46 -16.444 13.597 5.885 1.00 0.00 O ATOM 0 H GLU B 46 -16.067 12.793 4.585 1.00 0.00 H new ATOM 0 HA GLU B 46 -16.143 10.238 3.222 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -18.634 10.447 3.991 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -17.394 10.334 5.224 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -18.231 13.077 4.214 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -19.249 12.247 5.374 1.00 0.00 H new ATOM 2239 N ILE B 47 -16.924 10.982 0.937 1.00 0.00 N ATOM 2240 CA ILE B 47 -17.529 11.347 -0.374 1.00 0.00 C ATOM 2241 C ILE B 47 -19.012 10.964 -0.382 1.00 0.00 C ATOM 2242 O ILE B 47 -19.390 9.883 0.020 1.00 0.00 O ATOM 2243 CB ILE B 47 -16.806 10.621 -1.522 1.00 0.00 C ATOM 2244 CG1 ILE B 47 -16.712 9.115 -1.236 1.00 0.00 C ATOM 2245 CG2 ILE B 47 -15.395 11.185 -1.680 1.00 0.00 C ATOM 2246 CD1 ILE B 47 -16.189 8.393 -2.483 1.00 0.00 C ATOM 0 H ILE B 47 -16.193 10.272 0.900 1.00 0.00 H new ATOM 0 HA ILE B 47 -17.427 12.423 -0.517 1.00 0.00 H new ATOM 0 HB ILE B 47 -17.375 10.775 -2.439 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -16.047 8.935 -0.392 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -17.691 8.724 -0.959 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -14.886 10.669 -2.494 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -15.452 12.250 -1.905 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -14.839 11.039 -0.754 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -16.121 7.324 -2.283 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -16.872 8.564 -3.315 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -15.202 8.777 -2.739 1.00 0.00 H new ATOM 2258 N LYS B 48 -19.857 11.840 -0.857 1.00 0.00 N ATOM 2259 CA LYS B 48 -21.316 11.524 -0.924 1.00 0.00 C ATOM 2260 C LYS B 48 -21.604 11.046 -2.347 1.00 0.00 C ATOM 2261 O LYS B 48 -22.643 10.486 -2.637 1.00 0.00 O ATOM 2262 CB LYS B 48 -22.139 12.791 -0.617 1.00 0.00 C ATOM 2263 CG LYS B 48 -22.394 12.907 0.893 1.00 0.00 C ATOM 2264 CD LYS B 48 -21.064 12.979 1.656 1.00 0.00 C ATOM 2265 CE LYS B 48 -20.254 14.203 1.203 1.00 0.00 C ATOM 2266 NZ LYS B 48 -19.334 14.618 2.300 1.00 0.00 N ATOM 0 H LYS B 48 -19.600 12.764 -1.203 1.00 0.00 H new ATOM 0 HA LYS B 48 -21.586 10.760 -0.195 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -21.607 13.674 -0.972 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -23.088 12.755 -1.151 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -22.988 13.797 1.101 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -22.972 12.050 1.238 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -21.255 13.037 2.728 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -20.488 12.070 1.483 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -19.684 13.964 0.305 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -20.925 15.023 0.946 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -18.949 15.561 2.092 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -19.857 14.648 3.199 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -18.554 13.934 2.376 1.00 0.00 H new ATOM 2280 N GLU B 49 -20.668 11.277 -3.232 1.00 0.00 N ATOM 2281 CA GLU B 49 -20.823 10.862 -4.658 1.00 0.00 C ATOM 2282 C GLU B 49 -19.648 9.970 -5.049 1.00 0.00 C ATOM 2283 O GLU B 49 -18.501 10.353 -4.931 1.00 0.00 O ATOM 2284 CB GLU B 49 -20.818 12.107 -5.545 1.00 0.00 C ATOM 2285 CG GLU B 49 -21.965 13.030 -5.128 1.00 0.00 C ATOM 2286 CD GLU B 49 -21.933 14.304 -5.974 1.00 0.00 C ATOM 2287 OE1 GLU B 49 -21.199 14.328 -6.948 1.00 0.00 O ATOM 2288 OE2 GLU B 49 -22.643 15.235 -5.633 1.00 0.00 O ATOM 0 H GLU B 49 -19.786 11.745 -3.021 1.00 0.00 H new ATOM 0 HA GLU B 49 -21.760 10.319 -4.785 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -19.865 12.628 -5.454 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -20.927 11.822 -6.592 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -22.920 12.520 -5.256 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -21.877 13.281 -4.071 1.00 0.00 H new ATOM 2295 N GLN B 50 -19.917 8.786 -5.518 1.00 0.00 N ATOM 2296 CA GLN B 50 -18.803 7.885 -5.919 1.00 0.00 C ATOM 2297 C GLN B 50 -17.906 8.634 -6.915 1.00 0.00 C ATOM 2298 O GLN B 50 -16.825 8.194 -7.253 1.00 0.00 O ATOM 2299 CB GLN B 50 -19.380 6.607 -6.572 1.00 0.00 C ATOM 2300 CG GLN B 50 -20.799 6.335 -6.038 1.00 0.00 C ATOM 2301 CD GLN B 50 -21.824 7.147 -6.837 1.00 0.00 C ATOM 2302 OE1 GLN B 50 -21.732 7.243 -8.045 1.00 0.00 O ATOM 2303 NE2 GLN B 50 -22.803 7.741 -6.209 1.00 0.00 N ATOM 0 H GLN B 50 -20.855 8.404 -5.641 1.00 0.00 H new ATOM 0 HA GLN B 50 -18.218 7.594 -5.047 1.00 0.00 H new ATOM 0 HB2 GLN B 50 -19.407 6.723 -7.655 1.00 0.00 H new ATOM 0 HB3 GLN B 50 -18.733 5.756 -6.358 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -21.027 5.272 -6.113 1.00 0.00 H new ATOM 0 HG3 GLN B 50 -20.856 6.600 -4.982 1.00 0.00 H new ATOM 0 HE21 GLN B 50 -22.881 7.661 -5.195 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -23.489 8.285 -6.732 1.00 0.00 H new ATOM 2312 N GLU B 51 -18.378 9.749 -7.406 1.00 0.00 N ATOM 2313 CA GLU B 51 -17.612 10.546 -8.407 1.00 0.00 C ATOM 2314 C GLU B 51 -16.117 10.557 -8.115 1.00 0.00 C ATOM 2315 O GLU B 51 -15.318 10.266 -8.982 1.00 0.00 O ATOM 2316 CB GLU B 51 -18.136 11.984 -8.417 1.00 0.00 C ATOM 2317 CG GLU B 51 -17.650 12.697 -9.680 1.00 0.00 C ATOM 2318 CD GLU B 51 -18.247 14.104 -9.734 1.00 0.00 C ATOM 2319 OE1 GLU B 51 -19.401 14.250 -9.370 1.00 0.00 O ATOM 2320 OE2 GLU B 51 -17.538 15.011 -10.139 1.00 0.00 O ATOM 0 H GLU B 51 -19.281 10.148 -7.150 1.00 0.00 H new ATOM 0 HA GLU B 51 -17.755 10.077 -9.381 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -19.225 11.985 -8.383 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -17.788 12.515 -7.531 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -16.561 12.752 -9.683 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -17.943 12.132 -10.565 1.00 0.00 H new ATOM 2327 N VAL B 52 -15.710 10.884 -6.926 1.00 0.00 N ATOM 2328 CA VAL B 52 -14.247 10.891 -6.659 1.00 0.00 C ATOM 2329 C VAL B 52 -13.764 9.454 -6.715 1.00 0.00 C ATOM 2330 O VAL B 52 -12.683 9.156 -7.183 1.00 0.00 O ATOM 2331 CB VAL B 52 -13.944 11.511 -5.272 1.00 0.00 C ATOM 2332 CG1 VAL B 52 -12.636 12.313 -5.322 1.00 0.00 C ATOM 2333 CG2 VAL B 52 -15.090 12.439 -4.856 1.00 0.00 C ATOM 0 H VAL B 52 -16.309 11.142 -6.142 1.00 0.00 H new ATOM 0 HA VAL B 52 -13.731 11.497 -7.404 1.00 0.00 H new ATOM 0 HB VAL B 52 -13.843 10.705 -4.545 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -12.435 12.743 -4.341 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -11.815 11.653 -5.604 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -12.727 13.113 -6.057 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -14.871 12.872 -3.880 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -15.197 13.237 -5.591 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -16.018 11.869 -4.801 1.00 0.00 H new ATOM 2343 N VAL B 53 -14.582 8.564 -6.260 1.00 0.00 N ATOM 2344 CA VAL B 53 -14.220 7.135 -6.298 1.00 0.00 C ATOM 2345 C VAL B 53 -14.183 6.733 -7.772 1.00 0.00 C ATOM 2346 O VAL B 53 -13.507 5.804 -8.165 1.00 0.00 O ATOM 2347 CB VAL B 53 -15.262 6.336 -5.466 1.00 0.00 C ATOM 2348 CG1 VAL B 53 -16.016 5.310 -6.323 1.00 0.00 C ATOM 2349 CG2 VAL B 53 -14.566 5.599 -4.318 1.00 0.00 C ATOM 0 H VAL B 53 -15.497 8.768 -5.858 1.00 0.00 H new ATOM 0 HA VAL B 53 -13.246 6.925 -5.857 1.00 0.00 H new ATOM 0 HB VAL B 53 -15.980 7.057 -5.076 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -16.734 4.774 -5.702 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -16.544 5.824 -7.126 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -15.307 4.602 -6.751 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -15.305 5.043 -3.742 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -13.827 4.908 -4.724 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -14.069 6.321 -3.670 1.00 0.00 H new ATOM 2359 N ASP B 54 -14.894 7.457 -8.592 1.00 0.00 N ATOM 2360 CA ASP B 54 -14.882 7.149 -10.044 1.00 0.00 C ATOM 2361 C ASP B 54 -13.583 7.710 -10.616 1.00 0.00 C ATOM 2362 O ASP B 54 -12.979 7.146 -11.508 1.00 0.00 O ATOM 2363 CB ASP B 54 -16.087 7.806 -10.727 1.00 0.00 C ATOM 2364 CG ASP B 54 -16.307 7.168 -12.100 1.00 0.00 C ATOM 2365 OD1 ASP B 54 -15.350 6.648 -12.650 1.00 0.00 O ATOM 2366 OD2 ASP B 54 -17.428 7.208 -12.578 1.00 0.00 O ATOM 0 H ASP B 54 -15.480 8.245 -8.318 1.00 0.00 H new ATOM 0 HA ASP B 54 -14.943 6.074 -10.213 1.00 0.00 H new ATOM 0 HB2 ASP B 54 -16.978 7.685 -10.111 1.00 0.00 H new ATOM 0 HB3 ASP B 54 -15.918 8.877 -10.835 1.00 0.00 H new ATOM 2371 N LYS B 55 -13.144 8.820 -10.085 1.00 0.00 N ATOM 2372 CA LYS B 55 -11.873 9.432 -10.566 1.00 0.00 C ATOM 2373 C LYS B 55 -10.694 8.728 -9.891 1.00 0.00 C ATOM 2374 O LYS B 55 -9.701 8.423 -10.517 1.00 0.00 O ATOM 2375 CB LYS B 55 -11.857 10.927 -10.213 1.00 0.00 C ATOM 2376 CG LYS B 55 -10.468 11.548 -10.518 1.00 0.00 C ATOM 2377 CD LYS B 55 -9.613 11.631 -9.236 1.00 0.00 C ATOM 2378 CE LYS B 55 -9.952 12.907 -8.458 1.00 0.00 C ATOM 2379 NZ LYS B 55 -9.519 14.098 -9.242 1.00 0.00 N ATOM 0 H LYS B 55 -13.613 9.330 -9.337 1.00 0.00 H new ATOM 0 HA LYS B 55 -11.795 9.320 -11.647 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.627 11.448 -10.782 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -12.096 11.059 -9.158 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -9.952 10.947 -11.267 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -10.595 12.544 -10.941 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -9.794 10.756 -8.612 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -8.554 11.624 -9.495 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -11.024 12.955 -8.267 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -9.455 12.897 -7.488 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -9.266 14.869 -8.591 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -8.693 13.850 -9.823 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -10.296 14.408 -9.860 1.00 0.00 H new ATOM 2393 N VAL B 56 -10.789 8.465 -8.615 1.00 0.00 N ATOM 2394 CA VAL B 56 -9.661 7.779 -7.927 1.00 0.00 C ATOM 2395 C VAL B 56 -9.356 6.477 -8.678 1.00 0.00 C ATOM 2396 O VAL B 56 -8.216 6.144 -8.931 1.00 0.00 O ATOM 2397 CB VAL B 56 -10.033 7.510 -6.444 1.00 0.00 C ATOM 2398 CG1 VAL B 56 -10.709 6.141 -6.272 1.00 0.00 C ATOM 2399 CG2 VAL B 56 -8.770 7.548 -5.576 1.00 0.00 C ATOM 0 H VAL B 56 -11.590 8.693 -8.026 1.00 0.00 H new ATOM 0 HA VAL B 56 -8.769 8.406 -7.931 1.00 0.00 H new ATOM 0 HB VAL B 56 -10.732 8.287 -6.133 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -10.955 5.986 -5.222 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -11.621 6.108 -6.867 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -10.030 5.356 -6.605 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -9.037 7.359 -4.536 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -8.072 6.783 -5.916 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -8.302 8.529 -5.657 1.00 0.00 H new ATOM 2409 N MET B 57 -10.375 5.745 -9.040 1.00 0.00 N ATOM 2410 CA MET B 57 -10.153 4.470 -9.781 1.00 0.00 C ATOM 2411 C MET B 57 -9.430 4.766 -11.096 1.00 0.00 C ATOM 2412 O MET B 57 -8.632 3.980 -11.565 1.00 0.00 O ATOM 2413 CB MET B 57 -11.500 3.805 -10.075 1.00 0.00 C ATOM 2414 CG MET B 57 -12.029 3.140 -8.804 1.00 0.00 C ATOM 2415 SD MET B 57 -13.643 2.392 -9.141 1.00 0.00 S ATOM 2416 CE MET B 57 -13.466 0.968 -8.038 1.00 0.00 C ATOM 0 H MET B 57 -11.351 5.975 -8.855 1.00 0.00 H new ATOM 0 HA MET B 57 -9.545 3.799 -9.174 1.00 0.00 H new ATOM 0 HB2 MET B 57 -12.213 4.547 -10.434 1.00 0.00 H new ATOM 0 HB3 MET B 57 -11.387 3.064 -10.866 1.00 0.00 H new ATOM 0 HG2 MET B 57 -11.328 2.379 -8.460 1.00 0.00 H new ATOM 0 HG3 MET B 57 -12.117 3.876 -8.005 1.00 0.00 H new ATOM 0 HE1 MET B 57 -14.424 0.455 -7.950 1.00 0.00 H new ATOM 0 HE2 MET B 57 -12.723 0.282 -8.445 1.00 0.00 H new ATOM 0 HE3 MET B 57 -13.145 1.308 -7.053 1.00 0.00 H new ATOM 2426 N GLU B 58 -9.697 5.894 -11.695 1.00 0.00 N ATOM 2427 CA GLU B 58 -9.011 6.228 -12.975 1.00 0.00 C ATOM 2428 C GLU B 58 -7.527 6.451 -12.700 1.00 0.00 C ATOM 2429 O GLU B 58 -6.686 6.232 -13.548 1.00 0.00 O ATOM 2430 CB GLU B 58 -9.627 7.493 -13.581 1.00 0.00 C ATOM 2431 CG GLU B 58 -11.022 7.168 -14.117 1.00 0.00 C ATOM 2432 CD GLU B 58 -11.762 8.466 -14.447 1.00 0.00 C ATOM 2433 OE1 GLU B 58 -11.166 9.320 -15.082 1.00 0.00 O ATOM 2434 OE2 GLU B 58 -12.913 8.584 -14.059 1.00 0.00 O ATOM 0 H GLU B 58 -10.356 6.595 -11.356 1.00 0.00 H new ATOM 0 HA GLU B 58 -9.132 5.407 -13.682 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -9.688 8.279 -12.828 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -8.995 7.870 -14.385 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -10.944 6.546 -15.008 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -11.582 6.596 -13.377 1.00 0.00 H new ATOM 2441 N THR B 59 -7.198 6.876 -11.511 1.00 0.00 N ATOM 2442 CA THR B 59 -5.765 7.103 -11.161 1.00 0.00 C ATOM 2443 C THR B 59 -5.186 5.838 -10.528 1.00 0.00 C ATOM 2444 O THR B 59 -3.996 5.600 -10.581 1.00 0.00 O ATOM 2445 CB THR B 59 -5.652 8.253 -10.162 1.00 0.00 C ATOM 2446 OG1 THR B 59 -6.233 9.423 -10.720 1.00 0.00 O ATOM 2447 CG2 THR B 59 -4.175 8.508 -9.854 1.00 0.00 C ATOM 0 H THR B 59 -7.862 7.077 -10.763 1.00 0.00 H new ATOM 0 HA THR B 59 -5.213 7.350 -12.068 1.00 0.00 H new ATOM 0 HB THR B 59 -6.177 7.995 -9.242 1.00 0.00 H new ATOM 0 HG1 THR B 59 -6.162 10.161 -10.079 1.00 0.00 H new ATOM 0 HG21 THR B 59 -4.088 9.328 -9.141 1.00 0.00 H new ATOM 0 HG22 THR B 59 -3.732 7.608 -9.428 1.00 0.00 H new ATOM 0 HG23 THR B 59 -3.651 8.770 -10.774 1.00 0.00 H new ATOM 2455 N LEU B 60 -6.015 5.034 -9.905 1.00 0.00 N ATOM 2456 CA LEU B 60 -5.509 3.792 -9.237 1.00 0.00 C ATOM 2457 C LEU B 60 -5.774 2.560 -10.107 1.00 0.00 C ATOM 2458 O LEU B 60 -4.905 1.730 -10.278 1.00 0.00 O ATOM 2459 CB LEU B 60 -6.224 3.625 -7.883 1.00 0.00 C ATOM 2460 CG LEU B 60 -5.452 4.350 -6.770 1.00 0.00 C ATOM 2461 CD1 LEU B 60 -4.073 3.688 -6.539 1.00 0.00 C ATOM 2462 CD2 LEU B 60 -5.272 5.826 -7.147 1.00 0.00 C ATOM 0 H LEU B 60 -7.021 5.184 -9.830 1.00 0.00 H new ATOM 0 HA LEU B 60 -4.433 3.885 -9.088 1.00 0.00 H new ATOM 0 HB2 LEU B 60 -7.237 4.023 -7.949 1.00 0.00 H new ATOM 0 HB3 LEU B 60 -6.313 2.566 -7.641 1.00 0.00 H new ATOM 0 HG LEU B 60 -6.023 4.280 -5.844 1.00 0.00 H new ATOM 0 HD11 LEU B 60 -3.543 4.217 -5.747 1.00 0.00 H new ATOM 0 HD12 LEU B 60 -4.213 2.647 -6.249 1.00 0.00 H new ATOM 0 HD13 LEU B 60 -3.489 3.733 -7.458 1.00 0.00 H new ATOM 0 HD21 LEU B 60 -4.724 6.339 -6.357 1.00 0.00 H new ATOM 0 HD22 LEU B 60 -4.714 5.898 -8.081 1.00 0.00 H new ATOM 0 HD23 LEU B 60 -6.250 6.291 -7.272 1.00 0.00 H new ATOM 2474 N ASP B 61 -6.945 2.410 -10.655 1.00 0.00 N ATOM 2475 CA ASP B 61 -7.212 1.209 -11.495 1.00 0.00 C ATOM 2476 C ASP B 61 -6.174 1.114 -12.602 1.00 0.00 C ATOM 2477 O ASP B 61 -6.131 1.912 -13.516 1.00 0.00 O ATOM 2478 CB ASP B 61 -8.613 1.327 -12.087 1.00 0.00 C ATOM 2479 CG ASP B 61 -9.086 -0.040 -12.575 1.00 0.00 C ATOM 2480 OD1 ASP B 61 -8.325 -0.988 -12.464 1.00 0.00 O ATOM 2481 OD2 ASP B 61 -10.202 -0.114 -13.054 1.00 0.00 O ATOM 0 H ASP B 61 -7.725 3.061 -10.560 1.00 0.00 H new ATOM 0 HA ASP B 61 -7.150 0.306 -10.888 1.00 0.00 H new ATOM 0 HB2 ASP B 61 -9.303 1.714 -11.337 1.00 0.00 H new ATOM 0 HB3 ASP B 61 -8.610 2.037 -12.914 1.00 0.00 H new ATOM 2486 N GLU B 62 -5.330 0.128 -12.507 1.00 0.00 N ATOM 2487 CA GLU B 62 -4.267 -0.062 -13.533 1.00 0.00 C ATOM 2488 C GLU B 62 -4.812 -0.946 -14.636 1.00 0.00 C ATOM 2489 O GLU B 62 -4.663 -0.666 -15.809 1.00 0.00 O ATOM 2490 CB GLU B 62 -3.042 -0.730 -12.901 1.00 0.00 C ATOM 2491 CG GLU B 62 -2.615 0.042 -11.651 1.00 0.00 C ATOM 2492 CD GLU B 62 -2.265 1.482 -12.030 1.00 0.00 C ATOM 2493 OE1 GLU B 62 -1.517 1.660 -12.978 1.00 0.00 O ATOM 2494 OE2 GLU B 62 -2.748 2.383 -11.365 1.00 0.00 O ATOM 0 H GLU B 62 -5.330 -0.562 -11.756 1.00 0.00 H new ATOM 0 HA GLU B 62 -3.970 0.906 -13.938 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -3.274 -1.762 -12.640 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -2.222 -0.759 -13.619 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -3.419 0.034 -10.915 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -1.755 -0.442 -11.189 1.00 0.00 H new ATOM 2501 N ASP B 63 -5.464 -2.006 -14.270 1.00 0.00 N ATOM 2502 CA ASP B 63 -6.042 -2.899 -15.296 1.00 0.00 C ATOM 2503 C ASP B 63 -7.344 -2.277 -15.787 1.00 0.00 C ATOM 2504 O ASP B 63 -7.995 -2.797 -16.671 1.00 0.00 O ATOM 2505 CB ASP B 63 -6.324 -4.272 -14.683 1.00 0.00 C ATOM 2506 CG ASP B 63 -7.000 -4.094 -13.322 1.00 0.00 C ATOM 2507 OD1 ASP B 63 -7.809 -3.189 -13.198 1.00 0.00 O ATOM 2508 OD2 ASP B 63 -6.697 -4.865 -12.426 1.00 0.00 O ATOM 0 H ASP B 63 -5.621 -2.292 -13.303 1.00 0.00 H new ATOM 0 HA ASP B 63 -5.346 -3.022 -16.126 1.00 0.00 H new ATOM 0 HB2 ASP B 63 -6.965 -4.853 -15.346 1.00 0.00 H new ATOM 0 HB3 ASP B 63 -5.394 -4.829 -14.569 1.00 0.00 H new ATOM 2513 N GLY B 64 -7.744 -1.165 -15.215 1.00 0.00 N ATOM 2514 CA GLY B 64 -9.017 -0.542 -15.669 1.00 0.00 C ATOM 2515 C GLY B 64 -10.135 -1.549 -15.429 1.00 0.00 C ATOM 2516 O GLY B 64 -10.984 -1.767 -16.270 1.00 0.00 O ATOM 0 H GLY B 64 -7.252 -0.674 -14.469 1.00 0.00 H new ATOM 0 HA2 GLY B 64 -9.209 0.380 -15.121 1.00 0.00 H new ATOM 0 HA3 GLY B 64 -8.959 -0.279 -16.725 1.00 0.00 H new ATOM 2520 N ASP B 65 -10.123 -2.188 -14.288 1.00 0.00 N ATOM 2521 CA ASP B 65 -11.170 -3.214 -13.992 1.00 0.00 C ATOM 2522 C ASP B 65 -12.348 -2.573 -13.261 1.00 0.00 C ATOM 2523 O ASP B 65 -13.352 -3.210 -13.009 1.00 0.00 O ATOM 2524 CB ASP B 65 -10.563 -4.303 -13.106 1.00 0.00 C ATOM 2525 CG ASP B 65 -10.012 -3.668 -11.828 1.00 0.00 C ATOM 2526 OD1 ASP B 65 -10.193 -2.474 -11.658 1.00 0.00 O ATOM 2527 OD2 ASP B 65 -9.418 -4.387 -11.041 1.00 0.00 O ATOM 0 H ASP B 65 -9.435 -2.045 -13.549 1.00 0.00 H new ATOM 0 HA ASP B 65 -11.525 -3.643 -14.929 1.00 0.00 H new ATOM 0 HB2 ASP B 65 -11.318 -5.049 -12.858 1.00 0.00 H new ATOM 0 HB3 ASP B 65 -9.767 -4.821 -13.641 1.00 0.00 H new ATOM 2532 N GLY B 66 -12.237 -1.326 -12.907 1.00 0.00 N ATOM 2533 CA GLY B 66 -13.361 -0.669 -12.182 1.00 0.00 C ATOM 2534 C GLY B 66 -13.365 -1.170 -10.744 1.00 0.00 C ATOM 2535 O GLY B 66 -14.182 -0.780 -9.934 1.00 0.00 O ATOM 0 H GLY B 66 -11.425 -0.735 -13.085 1.00 0.00 H new ATOM 0 HA2 GLY B 66 -13.245 0.415 -12.206 1.00 0.00 H new ATOM 0 HA3 GLY B 66 -14.310 -0.899 -12.666 1.00 0.00 H new ATOM 2539 N GLU B 67 -12.433 -2.029 -10.428 1.00 0.00 N ATOM 2540 CA GLU B 67 -12.317 -2.579 -9.047 1.00 0.00 C ATOM 2541 C GLU B 67 -10.885 -2.337 -8.583 1.00 0.00 C ATOM 2542 O GLU B 67 -10.050 -1.915 -9.359 1.00 0.00 O ATOM 2543 CB GLU B 67 -12.612 -4.081 -9.066 1.00 0.00 C ATOM 2544 CG GLU B 67 -13.967 -4.325 -9.736 1.00 0.00 C ATOM 2545 CD GLU B 67 -14.414 -5.765 -9.481 1.00 0.00 C ATOM 2546 OE1 GLU B 67 -14.494 -6.143 -8.324 1.00 0.00 O ATOM 2547 OE2 GLU B 67 -14.670 -6.465 -10.446 1.00 0.00 O ATOM 0 H GLU B 67 -11.734 -2.379 -11.083 1.00 0.00 H new ATOM 0 HA GLU B 67 -13.027 -2.098 -8.374 1.00 0.00 H new ATOM 0 HB2 GLU B 67 -11.827 -4.610 -9.606 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -12.621 -4.474 -8.049 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -14.708 -3.629 -9.344 1.00 0.00 H new ATOM 0 HG3 GLU B 67 -13.892 -4.141 -10.808 1.00 0.00 H new ATOM 2554 N CYS B 68 -10.585 -2.581 -7.332 1.00 0.00 N ATOM 2555 CA CYS B 68 -9.193 -2.341 -6.829 1.00 0.00 C ATOM 2556 C CYS B 68 -8.649 -3.589 -6.128 1.00 0.00 C ATOM 2557 O CYS B 68 -8.886 -3.809 -4.954 1.00 0.00 O ATOM 2558 CB CYS B 68 -9.208 -1.161 -5.849 1.00 0.00 C ATOM 2559 SG CYS B 68 -9.239 0.390 -6.780 1.00 0.00 S ATOM 0 H CYS B 68 -11.241 -2.936 -6.636 1.00 0.00 H new ATOM 0 HA CYS B 68 -8.545 -2.112 -7.675 1.00 0.00 H new ATOM 0 HB2 CYS B 68 -10.080 -1.225 -5.198 1.00 0.00 H new ATOM 0 HB3 CYS B 68 -8.328 -1.195 -5.207 1.00 0.00 H new ATOM 0 HG CYS B 68 -9.254 1.393 -5.953 1.00 0.00 H new ATOM 2565 N ASP B 69 -7.931 -4.415 -6.849 1.00 0.00 N ATOM 2566 CA ASP B 69 -7.362 -5.648 -6.235 1.00 0.00 C ATOM 2567 C ASP B 69 -6.573 -5.254 -4.982 1.00 0.00 C ATOM 2568 O ASP B 69 -6.634 -4.131 -4.536 1.00 0.00 O ATOM 2569 CB ASP B 69 -6.429 -6.337 -7.235 1.00 0.00 C ATOM 2570 CG ASP B 69 -5.356 -5.349 -7.699 1.00 0.00 C ATOM 2571 OD1 ASP B 69 -4.917 -4.555 -6.885 1.00 0.00 O ATOM 2572 OD2 ASP B 69 -4.992 -5.404 -8.863 1.00 0.00 O ATOM 0 H ASP B 69 -7.716 -4.286 -7.838 1.00 0.00 H new ATOM 0 HA ASP B 69 -8.165 -6.335 -5.968 1.00 0.00 H new ATOM 0 HB2 ASP B 69 -5.962 -7.207 -6.773 1.00 0.00 H new ATOM 0 HB3 ASP B 69 -6.999 -6.699 -8.091 1.00 0.00 H new ATOM 2577 N PHE B 70 -5.832 -6.159 -4.407 1.00 0.00 N ATOM 2578 CA PHE B 70 -5.056 -5.819 -3.178 1.00 0.00 C ATOM 2579 C PHE B 70 -3.786 -5.025 -3.528 1.00 0.00 C ATOM 2580 O PHE B 70 -3.292 -4.249 -2.733 1.00 0.00 O ATOM 2581 CB PHE B 70 -4.661 -7.119 -2.459 1.00 0.00 C ATOM 2582 CG PHE B 70 -4.429 -8.220 -3.475 1.00 0.00 C ATOM 2583 CD1 PHE B 70 -3.271 -8.221 -4.262 1.00 0.00 C ATOM 2584 CD2 PHE B 70 -5.378 -9.238 -3.632 1.00 0.00 C ATOM 2585 CE1 PHE B 70 -3.064 -9.234 -5.205 1.00 0.00 C ATOM 2586 CE2 PHE B 70 -5.170 -10.253 -4.574 1.00 0.00 C ATOM 2587 CZ PHE B 70 -4.013 -10.250 -5.362 1.00 0.00 C ATOM 0 H PHE B 70 -5.729 -7.120 -4.733 1.00 0.00 H new ATOM 0 HA PHE B 70 -5.680 -5.201 -2.532 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.758 -6.959 -1.870 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -5.447 -7.414 -1.764 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -2.536 -7.439 -4.141 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -6.272 -9.240 -3.026 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -2.171 -9.232 -5.812 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -5.902 -11.038 -4.693 1.00 0.00 H new ATOM 0 HZ PHE B 70 -3.853 -11.031 -6.090 1.00 0.00 H new ATOM 2597 N GLN B 71 -3.233 -5.246 -4.684 1.00 0.00 N ATOM 2598 CA GLN B 71 -1.975 -4.550 -5.064 1.00 0.00 C ATOM 2599 C GLN B 71 -2.219 -3.055 -5.272 1.00 0.00 C ATOM 2600 O GLN B 71 -1.444 -2.223 -4.831 1.00 0.00 O ATOM 2601 CB GLN B 71 -1.427 -5.174 -6.354 1.00 0.00 C ATOM 2602 CG GLN B 71 -0.106 -4.507 -6.715 1.00 0.00 C ATOM 2603 CD GLN B 71 0.508 -5.210 -7.927 1.00 0.00 C ATOM 2604 OE1 GLN B 71 0.370 -6.501 -8.058 1.00 0.00 O flip ATOM 2605 NE2 GLN B 71 1.120 -4.577 -8.765 1.00 0.00 N flip ATOM 0 H GLN B 71 -3.601 -5.885 -5.389 1.00 0.00 H new ATOM 0 HA GLN B 71 -1.250 -4.665 -4.258 1.00 0.00 H new ATOM 0 HB2 GLN B 71 -1.281 -6.246 -6.220 1.00 0.00 H new ATOM 0 HB3 GLN B 71 -2.144 -5.049 -7.165 1.00 0.00 H new ATOM 0 HG2 GLN B 71 -0.268 -3.452 -6.937 1.00 0.00 H new ATOM 0 HG3 GLN B 71 0.580 -4.553 -5.869 1.00 0.00 H new ATOM 0 HE21 GLN B 71 1.228 -3.568 -8.663 1.00 0.00 H new ATOM 0 HE22 GLN B 71 1.525 -5.055 -9.570 1.00 0.00 H new ATOM 2614 N GLU B 72 -3.289 -2.690 -5.919 1.00 0.00 N ATOM 2615 CA GLU B 72 -3.565 -1.241 -6.136 1.00 0.00 C ATOM 2616 C GLU B 72 -4.419 -0.709 -4.983 1.00 0.00 C ATOM 2617 O GLU B 72 -4.299 0.432 -4.590 1.00 0.00 O ATOM 2618 CB GLU B 72 -4.271 -1.055 -7.485 1.00 0.00 C ATOM 2619 CG GLU B 72 -5.747 -1.512 -7.408 1.00 0.00 C ATOM 2620 CD GLU B 72 -6.178 -2.122 -8.748 1.00 0.00 C ATOM 2621 OE1 GLU B 72 -5.951 -1.490 -9.766 1.00 0.00 O ATOM 2622 OE2 GLU B 72 -6.726 -3.212 -8.730 1.00 0.00 O ATOM 0 H GLU B 72 -3.983 -3.329 -6.306 1.00 0.00 H new ATOM 0 HA GLU B 72 -2.632 -0.678 -6.158 1.00 0.00 H new ATOM 0 HB2 GLU B 72 -4.226 -0.007 -7.781 1.00 0.00 H new ATOM 0 HB3 GLU B 72 -3.750 -1.626 -8.254 1.00 0.00 H new ATOM 0 HG2 GLU B 72 -5.868 -2.244 -6.610 1.00 0.00 H new ATOM 0 HG3 GLU B 72 -6.386 -0.664 -7.163 1.00 0.00 H new ATOM 2629 N PHE B 73 -5.269 -1.522 -4.414 1.00 0.00 N ATOM 2630 CA PHE B 73 -6.091 -1.026 -3.273 1.00 0.00 C ATOM 2631 C PHE B 73 -5.148 -0.448 -2.228 1.00 0.00 C ATOM 2632 O PHE B 73 -5.358 0.625 -1.708 1.00 0.00 O ATOM 2633 CB PHE B 73 -6.910 -2.173 -2.668 1.00 0.00 C ATOM 2634 CG PHE B 73 -7.495 -1.759 -1.332 1.00 0.00 C ATOM 2635 CD1 PHE B 73 -8.484 -0.770 -1.277 1.00 0.00 C ATOM 2636 CD2 PHE B 73 -7.050 -2.370 -0.150 1.00 0.00 C ATOM 2637 CE1 PHE B 73 -9.027 -0.391 -0.043 1.00 0.00 C ATOM 2638 CE2 PHE B 73 -7.593 -1.990 1.082 1.00 0.00 C ATOM 2639 CZ PHE B 73 -8.581 -1.001 1.136 1.00 0.00 C ATOM 0 H PHE B 73 -5.428 -2.493 -4.684 1.00 0.00 H new ATOM 0 HA PHE B 73 -6.787 -0.261 -3.618 1.00 0.00 H new ATOM 0 HB2 PHE B 73 -7.711 -2.456 -3.351 1.00 0.00 H new ATOM 0 HB3 PHE B 73 -6.277 -3.051 -2.538 1.00 0.00 H new ATOM 0 HD1 PHE B 73 -8.828 -0.299 -2.186 1.00 0.00 H new ATOM 0 HD2 PHE B 73 -6.288 -3.134 -0.191 1.00 0.00 H new ATOM 0 HE1 PHE B 73 -9.790 0.372 -0.001 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -7.249 -2.460 1.992 1.00 0.00 H new ATOM 0 HZ PHE B 73 -9.000 -0.708 2.087 1.00 0.00 H new ATOM 2649 N MET B 74 -4.085 -1.125 -1.934 1.00 0.00 N ATOM 2650 CA MET B 74 -3.138 -0.553 -0.956 1.00 0.00 C ATOM 2651 C MET B 74 -2.634 0.749 -1.567 1.00 0.00 C ATOM 2652 O MET B 74 -2.543 1.771 -0.915 1.00 0.00 O ATOM 2653 CB MET B 74 -1.972 -1.545 -0.730 1.00 0.00 C ATOM 2654 CG MET B 74 -1.989 -2.108 0.698 1.00 0.00 C ATOM 2655 SD MET B 74 -1.195 -0.919 1.813 1.00 0.00 S ATOM 2656 CE MET B 74 0.109 -1.995 2.466 1.00 0.00 C ATOM 0 H MET B 74 -3.833 -2.035 -2.321 1.00 0.00 H new ATOM 0 HA MET B 74 -3.605 -0.369 0.012 1.00 0.00 H new ATOM 0 HB2 MET B 74 -2.043 -2.363 -1.447 1.00 0.00 H new ATOM 0 HB3 MET B 74 -1.023 -1.042 -0.914 1.00 0.00 H new ATOM 0 HG2 MET B 74 -3.015 -2.295 1.016 1.00 0.00 H new ATOM 0 HG3 MET B 74 -1.465 -3.063 0.732 1.00 0.00 H new ATOM 0 HE1 MET B 74 0.456 -1.606 3.423 1.00 0.00 H new ATOM 0 HE2 MET B 74 -0.285 -3.002 2.605 1.00 0.00 H new ATOM 0 HE3 MET B 74 0.942 -2.026 1.763 1.00 0.00 H new ATOM 2666 N ALA B 75 -2.290 0.702 -2.821 1.00 0.00 N ATOM 2667 CA ALA B 75 -1.770 1.935 -3.475 1.00 0.00 C ATOM 2668 C ALA B 75 -2.748 3.091 -3.243 1.00 0.00 C ATOM 2669 O ALA B 75 -2.375 4.245 -3.315 1.00 0.00 O ATOM 2670 CB ALA B 75 -1.583 1.693 -4.973 1.00 0.00 C ATOM 0 H ALA B 75 -2.344 -0.124 -3.416 1.00 0.00 H new ATOM 0 HA ALA B 75 -0.804 2.193 -3.041 1.00 0.00 H new ATOM 0 HB1 ALA B 75 -1.203 2.600 -5.443 1.00 0.00 H new ATOM 0 HB2 ALA B 75 -0.873 0.880 -5.124 1.00 0.00 H new ATOM 0 HB3 ALA B 75 -2.540 1.426 -5.421 1.00 0.00 H new ATOM 2676 N PHE B 76 -3.991 2.805 -2.956 1.00 0.00 N ATOM 2677 CA PHE B 76 -4.949 3.928 -2.717 1.00 0.00 C ATOM 2678 C PHE B 76 -4.595 4.578 -1.380 1.00 0.00 C ATOM 2679 O PHE B 76 -4.424 5.777 -1.289 1.00 0.00 O ATOM 2680 CB PHE B 76 -6.405 3.426 -2.708 1.00 0.00 C ATOM 2681 CG PHE B 76 -7.326 4.473 -2.102 1.00 0.00 C ATOM 2682 CD1 PHE B 76 -7.323 5.787 -2.591 1.00 0.00 C ATOM 2683 CD2 PHE B 76 -8.183 4.125 -1.048 1.00 0.00 C ATOM 2684 CE1 PHE B 76 -8.172 6.747 -2.026 1.00 0.00 C ATOM 2685 CE2 PHE B 76 -9.030 5.085 -0.485 1.00 0.00 C ATOM 2686 CZ PHE B 76 -9.025 6.396 -0.974 1.00 0.00 C ATOM 0 H PHE B 76 -4.379 1.865 -2.878 1.00 0.00 H new ATOM 0 HA PHE B 76 -4.867 4.657 -3.523 1.00 0.00 H new ATOM 0 HB2 PHE B 76 -6.723 3.198 -3.725 1.00 0.00 H new ATOM 0 HB3 PHE B 76 -6.473 2.500 -2.138 1.00 0.00 H new ATOM 0 HD1 PHE B 76 -6.666 6.059 -3.404 1.00 0.00 H new ATOM 0 HD2 PHE B 76 -8.189 3.113 -0.670 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -8.168 7.759 -2.403 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -9.688 4.814 0.327 1.00 0.00 H new ATOM 0 HZ PHE B 76 -9.680 7.137 -0.539 1.00 0.00 H new ATOM 2696 N VAL B 77 -4.464 3.797 -0.348 1.00 0.00 N ATOM 2697 CA VAL B 77 -4.097 4.379 0.972 1.00 0.00 C ATOM 2698 C VAL B 77 -2.783 5.150 0.822 1.00 0.00 C ATOM 2699 O VAL B 77 -2.562 6.161 1.457 1.00 0.00 O ATOM 2700 CB VAL B 77 -3.913 3.251 1.989 1.00 0.00 C ATOM 2701 CG1 VAL B 77 -3.276 3.804 3.267 1.00 0.00 C ATOM 2702 CG2 VAL B 77 -5.276 2.643 2.319 1.00 0.00 C ATOM 0 H VAL B 77 -4.594 2.785 -0.359 1.00 0.00 H new ATOM 0 HA VAL B 77 -4.884 5.050 1.316 1.00 0.00 H new ATOM 0 HB VAL B 77 -3.262 2.485 1.567 1.00 0.00 H new ATOM 0 HG11 VAL B 77 -3.147 2.997 3.988 1.00 0.00 H new ATOM 0 HG12 VAL B 77 -2.304 4.238 3.031 1.00 0.00 H new ATOM 0 HG13 VAL B 77 -3.922 4.571 3.693 1.00 0.00 H new ATOM 0 HG21 VAL B 77 -5.150 1.839 3.044 1.00 0.00 H new ATOM 0 HG22 VAL B 77 -5.925 3.411 2.739 1.00 0.00 H new ATOM 0 HG23 VAL B 77 -5.727 2.245 1.410 1.00 0.00 H new ATOM 2712 N SER B 78 -1.918 4.670 -0.022 1.00 0.00 N ATOM 2713 CA SER B 78 -0.613 5.347 -0.241 1.00 0.00 C ATOM 2714 C SER B 78 -0.860 6.715 -0.871 1.00 0.00 C ATOM 2715 O SER B 78 -0.163 7.673 -0.606 1.00 0.00 O ATOM 2716 CB SER B 78 0.230 4.481 -1.179 1.00 0.00 C ATOM 2717 OG SER B 78 -0.113 3.120 -0.970 1.00 0.00 O ATOM 0 H SER B 78 -2.061 3.826 -0.577 1.00 0.00 H new ATOM 0 HA SER B 78 -0.087 5.482 0.704 1.00 0.00 H new ATOM 0 HB2 SER B 78 0.050 4.761 -2.217 1.00 0.00 H new ATOM 0 HB3 SER B 78 1.291 4.637 -0.986 1.00 0.00 H new ATOM 0 HG SER B 78 -0.378 2.989 -0.036 1.00 0.00 H new ATOM 2723 N MET B 79 -1.865 6.811 -1.689 1.00 0.00 N ATOM 2724 CA MET B 79 -2.186 8.112 -2.329 1.00 0.00 C ATOM 2725 C MET B 79 -2.844 9.006 -1.283 1.00 0.00 C ATOM 2726 O MET B 79 -2.774 10.217 -1.342 1.00 0.00 O ATOM 2727 CB MET B 79 -3.136 7.890 -3.515 1.00 0.00 C ATOM 2728 CG MET B 79 -3.291 9.186 -4.334 1.00 0.00 C ATOM 2729 SD MET B 79 -3.650 8.766 -6.060 1.00 0.00 S ATOM 2730 CE MET B 79 -5.453 8.896 -5.971 1.00 0.00 C ATOM 0 H MET B 79 -2.482 6.040 -1.944 1.00 0.00 H new ATOM 0 HA MET B 79 -1.278 8.585 -2.704 1.00 0.00 H new ATOM 0 HB2 MET B 79 -2.751 7.094 -4.153 1.00 0.00 H new ATOM 0 HB3 MET B 79 -4.111 7.564 -3.152 1.00 0.00 H new ATOM 0 HG2 MET B 79 -4.095 9.796 -3.922 1.00 0.00 H new ATOM 0 HG3 MET B 79 -2.378 9.779 -4.274 1.00 0.00 H new ATOM 0 HE1 MET B 79 -5.874 8.813 -6.973 1.00 0.00 H new ATOM 0 HE2 MET B 79 -5.845 8.094 -5.345 1.00 0.00 H new ATOM 0 HE3 MET B 79 -5.728 9.859 -5.541 1.00 0.00 H new ATOM 2740 N VAL B 80 -3.457 8.400 -0.307 1.00 0.00 N ATOM 2741 CA VAL B 80 -4.099 9.171 0.782 1.00 0.00 C ATOM 2742 C VAL B 80 -3.034 9.437 1.822 1.00 0.00 C ATOM 2743 O VAL B 80 -2.999 10.475 2.453 1.00 0.00 O ATOM 2744 CB VAL B 80 -5.218 8.343 1.421 1.00 0.00 C ATOM 2745 CG1 VAL B 80 -5.803 9.104 2.615 1.00 0.00 C ATOM 2746 CG2 VAL B 80 -6.319 8.075 0.394 1.00 0.00 C ATOM 0 H VAL B 80 -3.540 7.387 -0.220 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.525 10.097 0.396 1.00 0.00 H new ATOM 0 HB VAL B 80 -4.809 7.392 1.762 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -6.599 8.513 3.068 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -5.020 9.283 3.351 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -6.207 10.058 2.276 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -7.111 7.486 0.855 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -6.728 9.023 0.044 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -5.903 7.525 -0.450 1.00 0.00 H new ATOM 2756 N THR B 81 -2.151 8.496 1.996 1.00 0.00 N ATOM 2757 CA THR B 81 -1.070 8.678 2.987 1.00 0.00 C ATOM 2758 C THR B 81 -0.065 9.671 2.426 1.00 0.00 C ATOM 2759 O THR B 81 0.546 10.427 3.155 1.00 0.00 O ATOM 2760 CB THR B 81 -0.376 7.339 3.248 1.00 0.00 C ATOM 2761 OG1 THR B 81 -1.356 6.340 3.485 1.00 0.00 O ATOM 2762 CG2 THR B 81 0.535 7.461 4.470 1.00 0.00 C ATOM 0 H THR B 81 -2.135 7.610 1.492 1.00 0.00 H new ATOM 0 HA THR B 81 -1.483 9.050 3.925 1.00 0.00 H new ATOM 0 HB THR B 81 0.223 7.065 2.379 1.00 0.00 H new ATOM 0 HG1 THR B 81 -1.856 6.170 2.659 1.00 0.00 H new ATOM 0 HG21 THR B 81 1.028 6.506 4.653 1.00 0.00 H new ATOM 0 HG22 THR B 81 1.287 8.228 4.288 1.00 0.00 H new ATOM 0 HG23 THR B 81 -0.060 7.736 5.341 1.00 0.00 H new ATOM 2770 N THR B 82 0.133 9.668 1.134 1.00 0.00 N ATOM 2771 CA THR B 82 1.125 10.607 0.540 1.00 0.00 C ATOM 2772 C THR B 82 0.636 12.049 0.644 1.00 0.00 C ATOM 2773 O THR B 82 1.417 12.955 0.857 1.00 0.00 O ATOM 2774 CB THR B 82 1.336 10.244 -0.926 1.00 0.00 C ATOM 2775 OG1 THR B 82 0.075 10.063 -1.546 1.00 0.00 O ATOM 2776 CG2 THR B 82 2.156 8.949 -1.023 1.00 0.00 C ATOM 0 H THR B 82 -0.346 9.060 0.470 1.00 0.00 H new ATOM 0 HA THR B 82 2.064 10.522 1.087 1.00 0.00 H new ATOM 0 HB THR B 82 1.877 11.045 -1.430 1.00 0.00 H new ATOM 0 HG1 THR B 82 -0.253 9.158 -1.363 1.00 0.00 H new ATOM 0 HG21 THR B 82 2.306 8.691 -2.071 1.00 0.00 H new ATOM 0 HG22 THR B 82 3.124 9.094 -0.543 1.00 0.00 H new ATOM 0 HG23 THR B 82 1.621 8.141 -0.523 1.00 0.00 H new ATOM 2784 N ALA B 83 -0.641 12.289 0.500 1.00 0.00 N ATOM 2785 CA ALA B 83 -1.138 13.685 0.600 1.00 0.00 C ATOM 2786 C ALA B 83 -0.964 14.173 2.036 1.00 0.00 C ATOM 2787 O ALA B 83 -0.635 15.317 2.279 1.00 0.00 O ATOM 2788 CB ALA B 83 -2.620 13.724 0.223 1.00 0.00 C ATOM 0 H ALA B 83 -1.354 11.582 0.319 1.00 0.00 H new ATOM 0 HA ALA B 83 -0.576 14.328 -0.077 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -2.987 14.748 0.296 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -2.745 13.365 -0.799 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -3.185 13.087 0.903 1.00 0.00 H new ATOM 2794 N CYS B 84 -1.181 13.312 2.994 1.00 0.00 N ATOM 2795 CA CYS B 84 -1.024 13.737 4.416 1.00 0.00 C ATOM 2796 C CYS B 84 0.463 13.735 4.790 1.00 0.00 C ATOM 2797 O CYS B 84 0.836 14.107 5.884 1.00 0.00 O ATOM 2798 CB CYS B 84 -1.788 12.774 5.331 1.00 0.00 C ATOM 2799 SG CYS B 84 -0.902 11.199 5.434 1.00 0.00 S ATOM 0 H CYS B 84 -1.458 12.340 2.856 1.00 0.00 H new ATOM 0 HA CYS B 84 -1.426 14.742 4.539 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -1.894 13.208 6.325 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -2.794 12.612 4.945 1.00 0.00 H new ATOM 0 HG CYS B 84 -0.182 11.035 4.364 1.00 0.00 H new ATOM 2805 N HIS B 85 1.314 13.320 3.884 1.00 0.00 N ATOM 2806 CA HIS B 85 2.785 13.291 4.171 1.00 0.00 C ATOM 2807 C HIS B 85 3.460 14.475 3.479 1.00 0.00 C ATOM 2808 O HIS B 85 4.369 15.081 4.011 1.00 0.00 O ATOM 2809 CB HIS B 85 3.381 11.988 3.633 1.00 0.00 C ATOM 2810 CG HIS B 85 4.876 12.004 3.808 1.00 0.00 C ATOM 2811 ND1 HIS B 85 5.476 11.974 5.058 1.00 0.00 N ATOM 2812 CD2 HIS B 85 5.905 12.045 2.900 1.00 0.00 C ATOM 2813 CE1 HIS B 85 6.809 11.997 4.868 1.00 0.00 C ATOM 2814 NE2 HIS B 85 7.125 12.041 3.571 1.00 0.00 N ATOM 0 H HIS B 85 1.053 12.998 2.952 1.00 0.00 H new ATOM 0 HA HIS B 85 2.947 13.353 5.247 1.00 0.00 H new ATOM 0 HB2 HIS B 85 2.953 11.136 4.160 1.00 0.00 H new ATOM 0 HB3 HIS B 85 3.130 11.870 2.579 1.00 0.00 H new ATOM 0 HD2 HIS B 85 5.786 12.076 1.827 1.00 0.00 H new ATOM 0 HE1 HIS B 85 7.535 11.982 5.668 1.00 0.00 H new ATOM 0 HE2 HIS B 85 8.058 12.066 3.161 1.00 0.00 H new ATOM 2822 N GLU B 86 3.022 14.812 2.296 1.00 0.00 N ATOM 2823 CA GLU B 86 3.641 15.962 1.574 1.00 0.00 C ATOM 2824 C GLU B 86 3.033 17.268 2.094 1.00 0.00 C ATOM 2825 O GLU B 86 3.648 18.315 2.045 1.00 0.00 O ATOM 2826 CB GLU B 86 3.377 15.829 0.069 1.00 0.00 C ATOM 2827 CG GLU B 86 1.890 16.068 -0.224 1.00 0.00 C ATOM 2828 CD GLU B 86 1.540 15.515 -1.607 1.00 0.00 C ATOM 2829 OE1 GLU B 86 1.417 14.307 -1.726 1.00 0.00 O ATOM 2830 OE2 GLU B 86 1.401 16.309 -2.523 1.00 0.00 O ATOM 0 H GLU B 86 2.265 14.343 1.799 1.00 0.00 H new ATOM 0 HA GLU B 86 4.717 15.967 1.747 1.00 0.00 H new ATOM 0 HB2 GLU B 86 3.985 16.548 -0.480 1.00 0.00 H new ATOM 0 HB3 GLU B 86 3.669 14.836 -0.274 1.00 0.00 H new ATOM 0 HG2 GLU B 86 1.277 15.584 0.537 1.00 0.00 H new ATOM 0 HG3 GLU B 86 1.668 17.134 -0.182 1.00 0.00 H new ATOM 2837 N PHE B 87 1.828 17.210 2.593 1.00 0.00 N ATOM 2838 CA PHE B 87 1.174 18.440 3.120 1.00 0.00 C ATOM 2839 C PHE B 87 1.988 18.983 4.298 1.00 0.00 C ATOM 2840 O PHE B 87 2.432 20.114 4.291 1.00 0.00 O ATOM 2841 CB PHE B 87 -0.243 18.097 3.588 1.00 0.00 C ATOM 2842 CG PHE B 87 -0.865 19.300 4.254 1.00 0.00 C ATOM 2843 CD1 PHE B 87 -0.667 19.522 5.621 1.00 0.00 C ATOM 2844 CD2 PHE B 87 -1.642 20.192 3.505 1.00 0.00 C ATOM 2845 CE1 PHE B 87 -1.245 20.636 6.241 1.00 0.00 C ATOM 2846 CE2 PHE B 87 -2.221 21.306 4.124 1.00 0.00 C ATOM 2847 CZ PHE B 87 -2.022 21.528 5.493 1.00 0.00 C ATOM 0 H PHE B 87 1.267 16.360 2.658 1.00 0.00 H new ATOM 0 HA PHE B 87 1.125 19.196 2.336 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -0.851 17.785 2.739 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -0.213 17.259 4.284 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -0.068 18.833 6.198 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -1.795 20.021 2.450 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -1.091 20.807 7.296 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -2.821 21.994 3.547 1.00 0.00 H new ATOM 0 HZ PHE B 87 -2.468 22.387 5.971 1.00 0.00 H new ATOM 2857 N PHE B 88 2.187 18.183 5.309 1.00 0.00 N ATOM 2858 CA PHE B 88 2.973 18.651 6.485 1.00 0.00 C ATOM 2859 C PHE B 88 4.405 18.967 6.048 1.00 0.00 C ATOM 2860 O PHE B 88 5.067 19.813 6.618 1.00 0.00 O ATOM 2861 CB PHE B 88 2.995 17.556 7.554 1.00 0.00 C ATOM 2862 CG PHE B 88 3.744 18.054 8.767 1.00 0.00 C ATOM 2863 CD1 PHE B 88 3.070 18.775 9.760 1.00 0.00 C ATOM 2864 CD2 PHE B 88 5.114 17.798 8.896 1.00 0.00 C ATOM 2865 CE1 PHE B 88 3.766 19.240 10.882 1.00 0.00 C ATOM 2866 CE2 PHE B 88 5.810 18.262 10.019 1.00 0.00 C ATOM 2867 CZ PHE B 88 5.136 18.984 11.012 1.00 0.00 C ATOM 0 H PHE B 88 1.840 17.226 5.372 1.00 0.00 H new ATOM 0 HA PHE B 88 2.512 19.549 6.896 1.00 0.00 H new ATOM 0 HB2 PHE B 88 1.977 17.281 7.829 1.00 0.00 H new ATOM 0 HB3 PHE B 88 3.473 16.658 7.161 1.00 0.00 H new ATOM 0 HD1 PHE B 88 2.013 18.972 9.660 1.00 0.00 H new ATOM 0 HD2 PHE B 88 5.634 17.243 8.130 1.00 0.00 H new ATOM 0 HE1 PHE B 88 3.246 19.796 11.648 1.00 0.00 H new ATOM 0 HE2 PHE B 88 6.867 18.063 10.119 1.00 0.00 H new ATOM 0 HZ PHE B 88 5.673 19.343 11.878 1.00 0.00 H new