USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1024 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 105 ASN : amide:sc= -2.72! C(o=-2.8!,f=-3.9!) USER MOD Set 1.2: A 106 ASN : amide:sc= -0.0559 K(o=-2.8,f=-3.7) USER MOD Set 2.1: A 88 THR OG1 : rot 140:sc= -1.08 USER MOD Set 2.2: A 90 GLN : amide:sc= -0.753 K(o=-1.8,f=-3.1) USER MOD Set 3.1: A 47 MET CE :methyl -113:sc= -1.91 (180deg=-2.76) USER MOD Set 3.2: A 52 HIS : no HE2:sc= -17.3! C(o=-19!,f=-30!) USER MOD Set 3.3: A 79 THR OG1 : rot 85:sc= 0.444 USER MOD Set 4.1: A 42 GLN : amide:sc= 0.238 K(o=-3,f=-16!) USER MOD Set 4.2: A 45 LYS NZ :NH3+ -143:sc= -3.22 (180deg=-8.25!) USER MOD Set 5.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 33 GLN : amide:sc= -1.61 X(o=-1.6,f=-1.7) USER MOD Single : A 1 MET CE :methyl 152:sc= -0.166 (180deg=-0.966) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0821) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.404 K(o=-0.4,f=-3!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -164:sc= -0.536 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.84!) USER MOD Single : A 28 GLN : amide:sc=-0.00574 X(o=-0.0057,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 157:sc=0.000723 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -126:sc= -3.4! (180deg=-4.61!) USER MOD Single : A 49 GLN : amide:sc= -0.0719 K(o=-0.072,f=-1.7!) USER MOD Single : A 50 ASN : amide:sc= -5.65! C(o=-5.6!,f=-10!) USER MOD Single : A 53 HIS :FLIP no HD1:sc= -1.94! C(o=-3!,f=-1.9!) USER MOD Single : A 57 SER OG : rot -96:sc= -0.0439 USER MOD Single : A 60 ASN : amide:sc= -1.86! C(o=-1.9!,f=-1.9!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -170:sc=-0.00384 (180deg=-0.125) USER MOD Single : A 71 GLN : amide:sc=-0.00755 X(o=-0.0075,f=-0.015) USER MOD Single : A 76 ASN : amide:sc= -0.196 K(o=-0.2,f=-2.6!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 134:sc= -1.84! (180deg=-5.24!) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.00947 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl -163:sc= -2.62 (180deg=-3.67!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.560 16.901 10.006 1.00 0.00 N ATOM 2 CA MET A 1 13.468 16.777 8.879 1.00 0.00 C ATOM 3 C MET A 1 12.892 17.452 7.632 1.00 0.00 C ATOM 4 O MET A 1 13.030 18.662 7.457 1.00 0.00 O ATOM 5 CB MET A 1 13.720 15.296 8.586 1.00 0.00 C ATOM 6 CG MET A 1 14.545 14.650 9.702 1.00 0.00 C ATOM 7 SD MET A 1 15.009 12.991 9.234 1.00 0.00 S ATOM 8 CE MET A 1 16.179 13.351 7.935 1.00 0.00 C ATOM 0 H1 MET A 1 13.028 16.557 10.869 1.00 0.00 H new ATOM 0 H2 MET A 1 12.295 17.899 10.130 1.00 0.00 H new ATOM 0 H3 MET A 1 11.706 16.336 9.827 1.00 0.00 H new ATOM 0 HA MET A 1 14.405 17.271 9.137 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.768 14.775 8.484 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.244 15.193 7.635 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.437 15.245 9.897 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.968 14.628 10.626 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.909 12.544 7.869 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.652 13.442 6.985 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.691 14.287 8.156 1.00 0.00 H new ATOM 18 N SER A 2 12.258 16.641 6.799 1.00 0.00 N ATOM 19 CA SER A 2 11.660 17.145 5.574 1.00 0.00 C ATOM 20 C SER A 2 10.135 17.059 5.663 1.00 0.00 C ATOM 21 O SER A 2 9.426 17.786 4.969 1.00 0.00 O ATOM 22 CB SER A 2 12.165 16.370 4.355 1.00 0.00 C ATOM 23 OG SER A 2 12.473 17.233 3.265 1.00 0.00 O ATOM 0 H SER A 2 12.145 15.638 6.948 1.00 0.00 H new ATOM 0 HA SER A 2 11.953 18.188 5.454 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.053 15.801 4.629 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.408 15.649 4.044 1.00 0.00 H new ATOM 0 HG SER A 2 12.794 16.701 2.507 1.00 0.00 H new ATOM 29 N LEU A 3 9.673 16.161 6.522 1.00 0.00 N ATOM 30 CA LEU A 3 8.245 15.971 6.711 1.00 0.00 C ATOM 31 C LEU A 3 7.970 15.624 8.175 1.00 0.00 C ATOM 32 O LEU A 3 8.296 14.527 8.628 1.00 0.00 O ATOM 33 CB LEU A 3 7.707 14.935 5.721 1.00 0.00 C ATOM 34 CG LEU A 3 6.562 15.400 4.820 1.00 0.00 C ATOM 35 CD1 LEU A 3 5.563 16.257 5.600 1.00 0.00 C ATOM 36 CD2 LEU A 3 7.097 16.126 3.583 1.00 0.00 C ATOM 0 H LEU A 3 10.263 15.557 7.095 1.00 0.00 H new ATOM 0 HA LEU A 3 7.706 16.894 6.496 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.530 14.605 5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.370 14.065 6.284 1.00 0.00 H new ATOM 0 HG LEU A 3 6.025 14.519 4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.759 16.574 4.936 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.146 15.674 6.421 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.071 17.135 6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.262 16.446 2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.673 16.998 3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.737 15.452 3.014 1.00 0.00 H new ATOM 48 N ALA A 4 7.373 16.576 8.874 1.00 0.00 N ATOM 49 CA ALA A 4 7.051 16.384 10.278 1.00 0.00 C ATOM 50 C ALA A 4 6.222 15.109 10.437 1.00 0.00 C ATOM 51 O ALA A 4 6.378 14.380 11.415 1.00 0.00 O ATOM 52 CB ALA A 4 6.324 17.622 10.809 1.00 0.00 C ATOM 0 H ALA A 4 7.103 17.484 8.495 1.00 0.00 H new ATOM 0 HA ALA A 4 7.960 16.262 10.867 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.082 17.478 11.862 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.966 18.496 10.700 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.405 17.775 10.243 1.00 0.00 H new ATOM 58 N GLU A 5 5.357 14.878 9.459 1.00 0.00 N ATOM 59 CA GLU A 5 4.503 13.703 9.479 1.00 0.00 C ATOM 60 C GLU A 5 5.151 12.563 8.689 1.00 0.00 C ATOM 61 O GLU A 5 5.201 11.428 9.161 1.00 0.00 O ATOM 62 CB GLU A 5 3.112 14.027 8.930 1.00 0.00 C ATOM 63 CG GLU A 5 2.186 14.523 10.042 1.00 0.00 C ATOM 64 CD GLU A 5 1.003 15.303 9.464 1.00 0.00 C ATOM 65 OE1 GLU A 5 0.440 14.816 8.460 1.00 0.00 O ATOM 66 OE2 GLU A 5 0.689 16.367 10.039 1.00 0.00 O ATOM 0 H GLU A 5 5.230 15.484 8.649 1.00 0.00 H new ATOM 0 HA GLU A 5 4.384 13.382 10.514 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.192 14.787 8.152 1.00 0.00 H new ATOM 0 HB3 GLU A 5 2.685 13.139 8.465 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.819 13.675 10.620 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.745 15.159 10.729 1.00 0.00 H new ATOM 73 N LYS A 6 5.630 12.904 7.503 1.00 0.00 N ATOM 74 CA LYS A 6 6.274 11.924 6.644 1.00 0.00 C ATOM 75 C LYS A 6 5.458 10.630 6.657 1.00 0.00 C ATOM 76 O LYS A 6 5.990 9.554 6.386 1.00 0.00 O ATOM 77 CB LYS A 6 7.736 11.733 7.051 1.00 0.00 C ATOM 78 CG LYS A 6 7.856 10.769 8.233 1.00 0.00 C ATOM 79 CD LYS A 6 9.322 10.480 8.558 1.00 0.00 C ATOM 80 CE LYS A 6 9.722 9.080 8.090 1.00 0.00 C ATOM 81 NZ LYS A 6 9.852 8.164 9.245 1.00 0.00 N ATOM 0 H LYS A 6 5.585 13.846 7.115 1.00 0.00 H new ATOM 0 HA LYS A 6 6.299 12.277 5.613 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.305 11.349 6.205 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.172 12.696 7.317 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.364 11.196 9.107 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.341 9.837 8.001 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.958 11.223 8.077 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.484 10.568 9.632 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.975 8.695 7.396 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.667 9.127 7.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.124 7.218 8.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.581 8.524 9.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.942 8.105 9.746 1.00 0.00 H new ATOM 95 N ILE A 7 4.179 10.776 6.972 1.00 0.00 N ATOM 96 CA ILE A 7 3.285 9.632 7.024 1.00 0.00 C ATOM 97 C ILE A 7 2.096 9.877 6.092 1.00 0.00 C ATOM 98 O ILE A 7 1.092 10.456 6.501 1.00 0.00 O ATOM 99 CB ILE A 7 2.882 9.331 8.468 1.00 0.00 C ATOM 100 CG1 ILE A 7 1.923 8.140 8.533 1.00 0.00 C ATOM 101 CG2 ILE A 7 2.299 10.573 9.146 1.00 0.00 C ATOM 102 CD1 ILE A 7 2.691 6.817 8.508 1.00 0.00 C ATOM 0 H ILE A 7 3.741 11.670 7.194 1.00 0.00 H new ATOM 0 HA ILE A 7 3.792 8.736 6.666 1.00 0.00 H new ATOM 0 HB ILE A 7 3.779 9.053 9.021 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.324 8.200 9.442 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.231 8.179 7.692 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.021 10.331 10.172 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.044 11.369 9.150 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.416 10.905 8.600 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.987 5.986 8.555 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.270 6.750 7.587 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.364 6.771 9.364 1.00 0.00 H new ATOM 114 N LYS A 8 2.251 9.425 4.856 1.00 0.00 N ATOM 115 CA LYS A 8 1.203 9.588 3.862 1.00 0.00 C ATOM 116 C LYS A 8 0.820 8.216 3.304 1.00 0.00 C ATOM 117 O LYS A 8 1.685 7.375 3.064 1.00 0.00 O ATOM 118 CB LYS A 8 1.633 10.591 2.791 1.00 0.00 C ATOM 119 CG LYS A 8 0.748 11.838 2.821 1.00 0.00 C ATOM 120 CD LYS A 8 1.515 13.066 2.327 1.00 0.00 C ATOM 121 CE LYS A 8 0.679 13.871 1.330 1.00 0.00 C ATOM 122 NZ LYS A 8 0.985 15.314 1.442 1.00 0.00 N ATOM 0 H LYS A 8 3.087 8.946 4.520 1.00 0.00 H new ATOM 0 HA LYS A 8 0.306 10.009 4.317 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.673 10.875 2.950 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.577 10.125 1.807 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.132 11.679 2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.392 12.011 3.836 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.783 13.697 3.175 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.446 12.752 1.856 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.882 13.528 0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.382 13.703 1.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.409 15.845 0.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.768 15.641 2.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.993 15.472 1.241 1.00 0.00 H new ATOM 136 N VAL A 9 -0.479 8.033 3.111 1.00 0.00 N ATOM 137 CA VAL A 9 -0.988 6.779 2.585 1.00 0.00 C ATOM 138 C VAL A 9 -1.330 6.953 1.104 1.00 0.00 C ATOM 139 O VAL A 9 -2.047 7.882 0.734 1.00 0.00 O ATOM 140 CB VAL A 9 -2.178 6.305 3.422 1.00 0.00 C ATOM 141 CG1 VAL A 9 -2.531 4.851 3.099 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.904 6.484 4.917 1.00 0.00 C ATOM 0 H VAL A 9 -1.193 8.733 3.310 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.229 6.000 2.654 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.037 6.924 3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.380 4.539 3.707 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.790 4.765 2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.675 4.212 3.316 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.766 6.139 5.489 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.026 5.903 5.198 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.725 7.538 5.130 1.00 0.00 H new ATOM 152 N LEU A 10 -0.801 6.046 0.296 1.00 0.00 N ATOM 153 CA LEU A 10 -1.041 6.088 -1.136 1.00 0.00 C ATOM 154 C LEU A 10 -1.937 4.912 -1.533 1.00 0.00 C ATOM 155 O LEU A 10 -1.552 3.754 -1.375 1.00 0.00 O ATOM 156 CB LEU A 10 0.283 6.139 -1.900 1.00 0.00 C ATOM 157 CG LEU A 10 0.265 5.553 -3.314 1.00 0.00 C ATOM 158 CD1 LEU A 10 0.857 4.143 -3.332 1.00 0.00 C ATOM 159 CD2 LEU A 10 -1.147 5.590 -3.903 1.00 0.00 C ATOM 0 H LEU A 10 -0.207 5.277 0.606 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.573 7.000 -1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.603 7.179 -1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.036 5.608 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 10 0.897 6.174 -3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.832 3.751 -4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.889 4.177 -2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.273 3.495 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.133 5.168 -4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.819 5.007 -3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.496 6.622 -3.947 1.00 0.00 H new ATOM 171 N ILE A 11 -3.112 5.250 -2.041 1.00 0.00 N ATOM 172 CA ILE A 11 -4.064 4.238 -2.462 1.00 0.00 C ATOM 173 C ILE A 11 -4.649 4.626 -3.822 1.00 0.00 C ATOM 174 O ILE A 11 -5.410 5.586 -3.923 1.00 0.00 O ATOM 175 CB ILE A 11 -5.123 4.014 -1.380 1.00 0.00 C ATOM 176 CG1 ILE A 11 -6.135 5.162 -1.357 1.00 0.00 C ATOM 177 CG2 ILE A 11 -4.471 3.796 -0.013 1.00 0.00 C ATOM 178 CD1 ILE A 11 -7.293 4.891 -2.319 1.00 0.00 C ATOM 0 H ILE A 11 -3.427 6.212 -2.171 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.564 3.278 -2.591 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.674 3.105 -1.623 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.520 5.292 -0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.640 6.094 -1.631 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.245 3.639 0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.823 2.921 -0.054 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.880 4.673 0.252 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.998 5.722 -2.283 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.907 4.786 -3.333 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.801 3.972 -2.027 1.00 0.00 H new ATOM 190 N VAL A 12 -4.269 3.859 -4.834 1.00 0.00 N ATOM 191 CA VAL A 12 -4.746 4.111 -6.183 1.00 0.00 C ATOM 192 C VAL A 12 -5.218 2.796 -6.807 1.00 0.00 C ATOM 193 O VAL A 12 -4.496 1.801 -6.787 1.00 0.00 O ATOM 194 CB VAL A 12 -3.654 4.804 -7.003 1.00 0.00 C ATOM 195 CG1 VAL A 12 -2.414 3.916 -7.125 1.00 0.00 C ATOM 196 CG2 VAL A 12 -4.178 5.207 -8.383 1.00 0.00 C ATOM 0 H VAL A 12 -3.637 3.063 -4.746 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.600 4.788 -6.166 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.364 5.713 -6.476 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.654 4.431 -7.712 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.021 3.701 -6.131 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.682 2.982 -7.619 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.383 5.697 -8.945 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.508 4.318 -8.921 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.017 5.893 -8.267 1.00 0.00 H new ATOM 206 N ASP A 13 -6.427 2.835 -7.347 1.00 0.00 N ATOM 207 CA ASP A 13 -7.004 1.659 -7.974 1.00 0.00 C ATOM 208 C ASP A 13 -7.726 2.074 -9.259 1.00 0.00 C ATOM 209 O ASP A 13 -8.329 3.145 -9.318 1.00 0.00 O ATOM 210 CB ASP A 13 -8.026 0.988 -7.054 1.00 0.00 C ATOM 211 CG ASP A 13 -7.469 0.500 -5.716 1.00 0.00 C ATOM 212 OD1 ASP A 13 -7.076 1.373 -4.912 1.00 0.00 O ATOM 213 OD2 ASP A 13 -7.447 -0.736 -5.528 1.00 0.00 O ATOM 0 H ASP A 13 -7.023 3.663 -7.363 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.195 0.959 -8.185 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.834 1.693 -6.859 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.463 0.139 -7.580 1.00 0.00 H new ATOM 218 N ASP A 14 -7.639 1.205 -10.255 1.00 0.00 N ATOM 219 CA ASP A 14 -8.276 1.468 -11.534 1.00 0.00 C ATOM 220 C ASP A 14 -9.756 1.786 -11.307 1.00 0.00 C ATOM 221 O ASP A 14 -10.260 2.792 -11.801 1.00 0.00 O ATOM 222 CB ASP A 14 -8.191 0.247 -12.453 1.00 0.00 C ATOM 223 CG ASP A 14 -8.147 0.565 -13.949 1.00 0.00 C ATOM 224 OD1 ASP A 14 -7.308 1.410 -14.325 1.00 0.00 O ATOM 225 OD2 ASP A 14 -8.956 -0.044 -14.682 1.00 0.00 O ATOM 0 H ASP A 14 -7.137 0.318 -10.202 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.761 2.308 -12.000 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.300 -0.324 -12.192 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.050 -0.396 -12.259 1.00 0.00 H new ATOM 230 N GLN A 15 -10.409 0.908 -10.559 1.00 0.00 N ATOM 231 CA GLN A 15 -11.819 1.084 -10.260 1.00 0.00 C ATOM 232 C GLN A 15 -11.994 1.931 -8.999 1.00 0.00 C ATOM 233 O GLN A 15 -11.209 1.820 -8.059 1.00 0.00 O ATOM 234 CB GLN A 15 -12.520 -0.269 -10.114 1.00 0.00 C ATOM 235 CG GLN A 15 -13.802 -0.315 -10.949 1.00 0.00 C ATOM 236 CD GLN A 15 -13.480 -0.408 -12.441 1.00 0.00 C ATOM 237 OE1 GLN A 15 -12.958 0.512 -13.049 1.00 0.00 O ATOM 238 NE2 GLN A 15 -13.821 -1.568 -12.997 1.00 0.00 N ATOM 0 H GLN A 15 -9.987 0.073 -10.152 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.284 1.610 -11.093 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -11.848 -1.067 -10.429 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.758 -0.448 -9.065 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.405 -1.172 -10.649 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.398 0.577 -10.757 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -14.255 -2.297 -12.431 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.648 -1.728 -13.989 1.00 0.00 H new ATOM 247 N VAL A 16 -13.028 2.759 -9.019 1.00 0.00 N ATOM 248 CA VAL A 16 -13.316 3.626 -7.889 1.00 0.00 C ATOM 249 C VAL A 16 -13.809 2.777 -6.715 1.00 0.00 C ATOM 250 O VAL A 16 -13.422 3.009 -5.571 1.00 0.00 O ATOM 251 CB VAL A 16 -14.311 4.712 -8.302 1.00 0.00 C ATOM 252 CG1 VAL A 16 -15.100 5.220 -7.094 1.00 0.00 C ATOM 253 CG2 VAL A 16 -13.600 5.863 -9.016 1.00 0.00 C ATOM 0 H VAL A 16 -13.677 2.848 -9.801 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.413 4.141 -7.562 1.00 0.00 H new ATOM 0 HB VAL A 16 -15.019 4.269 -9.003 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.800 5.991 -7.415 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -15.651 4.393 -6.646 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.412 5.638 -6.359 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -14.330 6.622 -9.299 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.859 6.303 -8.348 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.104 5.485 -9.910 1.00 0.00 H new ATOM 263 N THR A 17 -14.658 1.813 -7.038 1.00 0.00 N ATOM 264 CA THR A 17 -15.210 0.930 -6.025 1.00 0.00 C ATOM 265 C THR A 17 -14.084 0.215 -5.272 1.00 0.00 C ATOM 266 O THR A 17 -14.191 -0.022 -4.070 1.00 0.00 O ATOM 267 CB THR A 17 -16.184 -0.029 -6.712 1.00 0.00 C ATOM 268 OG1 THR A 17 -17.461 0.358 -6.213 1.00 0.00 O ATOM 269 CG2 THR A 17 -16.020 -1.473 -6.235 1.00 0.00 C ATOM 0 H THR A 17 -14.977 1.624 -7.988 1.00 0.00 H new ATOM 0 HA THR A 17 -15.762 1.490 -5.270 1.00 0.00 H new ATOM 0 HB THR A 17 -16.036 0.015 -7.791 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.153 -0.212 -6.609 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.735 -2.111 -6.754 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.007 -1.814 -6.449 1.00 0.00 H new ATOM 0 HG23 THR A 17 -16.201 -1.524 -5.161 1.00 0.00 H new ATOM 277 N SER A 18 -13.033 -0.108 -6.011 1.00 0.00 N ATOM 278 CA SER A 18 -11.891 -0.791 -5.427 1.00 0.00 C ATOM 279 C SER A 18 -11.098 0.176 -4.545 1.00 0.00 C ATOM 280 O SER A 18 -10.904 -0.078 -3.359 1.00 0.00 O ATOM 281 CB SER A 18 -10.988 -1.380 -6.514 1.00 0.00 C ATOM 282 OG SER A 18 -11.732 -1.812 -7.650 1.00 0.00 O ATOM 0 H SER A 18 -12.948 0.090 -7.008 1.00 0.00 H new ATOM 0 HA SER A 18 -12.260 -1.613 -4.813 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.257 -0.633 -6.822 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.430 -2.222 -6.105 1.00 0.00 H new ATOM 0 HG SER A 18 -11.176 -2.402 -8.200 1.00 0.00 H new ATOM 288 N ARG A 19 -10.661 1.265 -5.161 1.00 0.00 N ATOM 289 CA ARG A 19 -9.894 2.271 -4.446 1.00 0.00 C ATOM 290 C ARG A 19 -10.737 2.887 -3.328 1.00 0.00 C ATOM 291 O ARG A 19 -10.202 3.321 -2.309 1.00 0.00 O ATOM 292 CB ARG A 19 -9.424 3.379 -5.391 1.00 0.00 C ATOM 293 CG ARG A 19 -9.551 4.753 -4.730 1.00 0.00 C ATOM 294 CD ARG A 19 -10.996 5.253 -4.777 1.00 0.00 C ATOM 295 NE ARG A 19 -11.025 6.680 -5.171 1.00 0.00 N ATOM 296 CZ ARG A 19 -12.002 7.533 -4.831 1.00 0.00 C ATOM 297 NH1 ARG A 19 -13.035 7.108 -4.090 1.00 0.00 N ATOM 298 NH2 ARG A 19 -11.946 8.810 -5.233 1.00 0.00 N ATOM 0 H ARG A 19 -10.823 1.472 -6.146 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.021 1.779 -4.017 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.387 3.203 -5.676 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.015 3.356 -6.307 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.216 4.695 -3.694 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.899 5.465 -5.236 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.572 4.659 -5.487 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.465 5.127 -3.801 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.254 7.036 -5.736 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.078 6.136 -3.785 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.778 7.757 -3.831 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.160 9.133 -5.798 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.689 9.459 -4.974 1.00 0.00 H new ATOM 312 N LEU A 20 -12.042 2.905 -3.556 1.00 0.00 N ATOM 313 CA LEU A 20 -12.965 3.461 -2.581 1.00 0.00 C ATOM 314 C LEU A 20 -13.059 2.517 -1.380 1.00 0.00 C ATOM 315 O LEU A 20 -13.043 2.962 -0.233 1.00 0.00 O ATOM 316 CB LEU A 20 -14.316 3.764 -3.232 1.00 0.00 C ATOM 317 CG LEU A 20 -15.455 4.124 -2.277 1.00 0.00 C ATOM 318 CD1 LEU A 20 -16.332 5.233 -2.863 1.00 0.00 C ATOM 319 CD2 LEU A 20 -16.270 2.885 -1.905 1.00 0.00 C ATOM 0 H LEU A 20 -12.482 2.543 -4.402 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.596 4.417 -2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.182 4.588 -3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.619 2.895 -3.816 1.00 0.00 H new ATOM 0 HG LEU A 20 -15.019 4.511 -1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.134 5.470 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.726 6.123 -3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.761 4.897 -3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.073 3.169 -1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.696 2.445 -2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.622 2.156 -1.417 1.00 0.00 H new ATOM 331 N LEU A 21 -13.157 1.231 -1.684 1.00 0.00 N ATOM 332 CA LEU A 21 -13.255 0.221 -0.644 1.00 0.00 C ATOM 333 C LEU A 21 -12.018 0.299 0.254 1.00 0.00 C ATOM 334 O LEU A 21 -12.138 0.479 1.465 1.00 0.00 O ATOM 335 CB LEU A 21 -13.481 -1.161 -1.260 1.00 0.00 C ATOM 336 CG LEU A 21 -14.914 -1.476 -1.695 1.00 0.00 C ATOM 337 CD1 LEU A 21 -14.938 -2.601 -2.730 1.00 0.00 C ATOM 338 CD2 LEU A 21 -15.797 -1.790 -0.485 1.00 0.00 C ATOM 0 H LEU A 21 -13.171 0.865 -2.636 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.122 0.408 -0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.829 -1.261 -2.128 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.168 -1.915 -0.537 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.329 -0.589 -2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -15.968 -2.805 -3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.365 -2.301 -3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.498 -3.501 -2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -16.810 -2.010 -0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.395 -2.653 0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.816 -0.930 0.185 1.00 0.00 H new ATOM 350 N LEU A 22 -10.860 0.161 -0.374 1.00 0.00 N ATOM 351 CA LEU A 22 -9.603 0.213 0.354 1.00 0.00 C ATOM 352 C LEU A 22 -9.524 1.529 1.131 1.00 0.00 C ATOM 353 O LEU A 22 -9.220 1.532 2.323 1.00 0.00 O ATOM 354 CB LEU A 22 -8.424 -0.013 -0.596 1.00 0.00 C ATOM 355 CG LEU A 22 -8.527 0.662 -1.965 1.00 0.00 C ATOM 356 CD1 LEU A 22 -7.645 1.910 -2.029 1.00 0.00 C ATOM 357 CD2 LEU A 22 -8.206 -0.326 -3.088 1.00 0.00 C ATOM 0 H LEU A 22 -10.765 0.013 -1.379 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.552 -0.593 1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.516 0.339 -0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.307 -1.086 -0.750 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.557 0.989 -2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.737 2.370 -3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.963 2.620 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.606 1.631 -1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.286 0.179 -4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.192 -0.705 -2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.911 -1.157 -3.054 1.00 0.00 H new ATOM 369 N GLY A 23 -9.802 2.615 0.424 1.00 0.00 N ATOM 370 CA GLY A 23 -9.766 3.934 1.032 1.00 0.00 C ATOM 371 C GLY A 23 -10.826 4.061 2.127 1.00 0.00 C ATOM 372 O GLY A 23 -10.647 4.815 3.084 1.00 0.00 O ATOM 0 H GLY A 23 -10.053 2.608 -0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.778 4.117 1.454 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.933 4.695 0.269 1.00 0.00 H new ATOM 376 N ASP A 24 -11.905 3.314 1.951 1.00 0.00 N ATOM 377 CA ASP A 24 -12.994 3.335 2.913 1.00 0.00 C ATOM 378 C ASP A 24 -12.596 2.522 4.146 1.00 0.00 C ATOM 379 O ASP A 24 -12.756 2.981 5.276 1.00 0.00 O ATOM 380 CB ASP A 24 -14.261 2.710 2.325 1.00 0.00 C ATOM 381 CG ASP A 24 -15.517 2.862 3.185 1.00 0.00 C ATOM 382 OD1 ASP A 24 -15.363 3.321 4.337 1.00 0.00 O ATOM 383 OD2 ASP A 24 -16.602 2.517 2.670 1.00 0.00 O ATOM 0 H ASP A 24 -12.049 2.690 1.157 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.192 4.375 3.175 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.450 3.159 1.350 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.080 1.648 2.158 1.00 0.00 H new ATOM 388 N ALA A 25 -12.083 1.327 3.888 1.00 0.00 N ATOM 389 CA ALA A 25 -11.660 0.446 4.963 1.00 0.00 C ATOM 390 C ALA A 25 -10.592 1.150 5.803 1.00 0.00 C ATOM 391 O ALA A 25 -10.675 1.169 7.030 1.00 0.00 O ATOM 392 CB ALA A 25 -11.161 -0.875 4.373 1.00 0.00 C ATOM 0 H ALA A 25 -11.951 0.949 2.950 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.497 0.214 5.622 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.843 -1.537 5.179 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.965 -1.349 3.810 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.318 -0.682 3.709 1.00 0.00 H new ATOM 398 N LEU A 26 -9.613 1.711 5.108 1.00 0.00 N ATOM 399 CA LEU A 26 -8.531 2.415 5.776 1.00 0.00 C ATOM 400 C LEU A 26 -9.059 3.734 6.343 1.00 0.00 C ATOM 401 O LEU A 26 -8.519 4.254 7.318 1.00 0.00 O ATOM 402 CB LEU A 26 -7.339 2.584 4.830 1.00 0.00 C ATOM 403 CG LEU A 26 -6.240 1.528 4.940 1.00 0.00 C ATOM 404 CD1 LEU A 26 -6.775 0.140 4.584 1.00 0.00 C ATOM 405 CD2 LEU A 26 -5.025 1.909 4.091 1.00 0.00 C ATOM 0 H LEU A 26 -9.546 1.692 4.090 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.160 1.832 6.619 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.711 2.587 3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.894 3.563 5.010 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.908 1.489 5.977 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.972 -0.592 4.670 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.583 -0.125 5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.152 0.147 3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.258 1.140 4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.324 1.994 3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.627 2.864 4.434 1.00 0.00 H new ATOM 417 N GLN A 27 -10.107 4.237 5.708 1.00 0.00 N ATOM 418 CA GLN A 27 -10.713 5.485 6.138 1.00 0.00 C ATOM 419 C GLN A 27 -11.231 5.358 7.572 1.00 0.00 C ATOM 420 O GLN A 27 -10.959 6.214 8.414 1.00 0.00 O ATOM 421 CB GLN A 27 -11.834 5.907 5.187 1.00 0.00 C ATOM 422 CG GLN A 27 -11.360 7.004 4.231 1.00 0.00 C ATOM 423 CD GLN A 27 -11.913 8.369 4.646 1.00 0.00 C ATOM 424 OE1 GLN A 27 -11.296 9.119 5.384 1.00 0.00 O ATOM 425 NE2 GLN A 27 -13.108 8.647 4.132 1.00 0.00 N ATOM 0 H GLN A 27 -10.552 3.803 4.899 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.949 6.263 6.115 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -12.174 5.044 4.615 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -12.688 6.265 5.762 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.271 7.037 4.221 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.681 6.771 3.216 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.569 7.973 3.521 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.563 9.534 4.349 1.00 0.00 H new ATOM 434 N GLN A 28 -11.969 4.282 7.808 1.00 0.00 N ATOM 435 CA GLN A 28 -12.526 4.031 9.126 1.00 0.00 C ATOM 436 C GLN A 28 -11.405 3.822 10.146 1.00 0.00 C ATOM 437 O GLN A 28 -11.648 3.834 11.352 1.00 0.00 O ATOM 438 CB GLN A 28 -13.476 2.833 9.100 1.00 0.00 C ATOM 439 CG GLN A 28 -14.789 3.158 9.817 1.00 0.00 C ATOM 440 CD GLN A 28 -15.733 1.954 9.803 1.00 0.00 C ATOM 441 OE1 GLN A 28 -16.808 1.982 9.227 1.00 0.00 O ATOM 442 NE2 GLN A 28 -15.273 0.898 10.467 1.00 0.00 N ATOM 0 H GLN A 28 -12.194 3.575 7.108 1.00 0.00 H new ATOM 0 HA GLN A 28 -13.104 4.904 9.427 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.682 2.550 8.068 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.000 1.976 9.577 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.583 3.451 10.846 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.271 4.008 9.334 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.364 0.941 10.927 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -15.829 0.044 10.516 1.00 0.00 H new ATOM 451 N LEU A 29 -10.201 3.635 9.625 1.00 0.00 N ATOM 452 CA LEU A 29 -9.043 3.422 10.475 1.00 0.00 C ATOM 453 C LEU A 29 -8.327 4.756 10.696 1.00 0.00 C ATOM 454 O LEU A 29 -7.466 4.865 11.569 1.00 0.00 O ATOM 455 CB LEU A 29 -8.142 2.331 9.891 1.00 0.00 C ATOM 456 CG LEU A 29 -6.645 2.644 9.856 1.00 0.00 C ATOM 457 CD1 LEU A 29 -6.025 2.515 11.249 1.00 0.00 C ATOM 458 CD2 LEU A 29 -5.927 1.771 8.825 1.00 0.00 C ATOM 0 H LEU A 29 -10.003 3.627 8.624 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.352 3.058 11.455 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.289 1.419 10.469 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.473 2.120 8.874 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.519 3.681 9.543 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.960 2.743 11.196 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.512 3.213 11.930 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.160 1.497 11.615 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.864 2.013 8.820 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.058 0.720 9.083 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.346 1.957 7.836 1.00 0.00 H new ATOM 470 N GLY A 30 -8.710 5.738 9.893 1.00 0.00 N ATOM 471 CA GLY A 30 -8.115 7.060 9.991 1.00 0.00 C ATOM 472 C GLY A 30 -6.649 7.034 9.556 1.00 0.00 C ATOM 473 O GLY A 30 -5.824 7.770 10.098 1.00 0.00 O ATOM 0 H GLY A 30 -9.425 5.645 9.172 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.671 7.760 9.367 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.187 7.420 11.017 1.00 0.00 H new ATOM 477 N PHE A 31 -6.367 6.181 8.583 1.00 0.00 N ATOM 478 CA PHE A 31 -5.014 6.050 8.069 1.00 0.00 C ATOM 479 C PHE A 31 -4.178 7.287 8.409 1.00 0.00 C ATOM 480 O PHE A 31 -3.740 7.451 9.546 1.00 0.00 O ATOM 481 CB PHE A 31 -5.123 5.924 6.549 1.00 0.00 C ATOM 482 CG PHE A 31 -6.114 6.901 5.912 1.00 0.00 C ATOM 483 CD1 PHE A 31 -7.408 6.925 6.329 1.00 0.00 C ATOM 484 CD2 PHE A 31 -5.700 7.745 4.930 1.00 0.00 C ATOM 485 CE1 PHE A 31 -8.327 7.832 5.739 1.00 0.00 C ATOM 486 CE2 PHE A 31 -6.620 8.652 4.339 1.00 0.00 C ATOM 487 CZ PHE A 31 -7.914 8.676 4.756 1.00 0.00 C ATOM 0 H PHE A 31 -7.053 5.573 8.136 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.528 5.182 8.514 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.138 6.084 6.110 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.422 4.906 6.300 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.737 6.254 7.109 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.672 7.726 4.599 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.355 7.852 6.071 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.292 9.322 3.559 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.614 9.365 4.307 1.00 0.00 H new ATOM 497 N LYS A 32 -3.983 8.124 7.400 1.00 0.00 N ATOM 498 CA LYS A 32 -3.206 9.339 7.577 1.00 0.00 C ATOM 499 C LYS A 32 -3.486 10.292 6.412 1.00 0.00 C ATOM 500 O LYS A 32 -3.861 11.443 6.624 1.00 0.00 O ATOM 501 CB LYS A 32 -1.724 9.007 7.757 1.00 0.00 C ATOM 502 CG LYS A 32 -1.067 9.959 8.758 1.00 0.00 C ATOM 503 CD LYS A 32 -1.375 11.418 8.413 1.00 0.00 C ATOM 504 CE LYS A 32 -2.517 11.957 9.278 1.00 0.00 C ATOM 505 NZ LYS A 32 -2.081 13.161 10.018 1.00 0.00 N ATOM 0 H LYS A 32 -4.349 7.985 6.458 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.506 9.853 8.490 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.617 7.979 8.103 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.213 9.074 6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.423 9.737 9.764 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.012 9.802 8.760 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.483 12.027 8.562 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.643 11.497 7.360 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.374 12.199 8.650 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.843 11.190 9.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.913 13.729 10.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.576 12.874 10.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.448 13.727 9.418 1.00 0.00 H new ATOM 519 N GLN A 33 -3.293 9.774 5.208 1.00 0.00 N ATOM 520 CA GLN A 33 -3.520 10.564 4.009 1.00 0.00 C ATOM 521 C GLN A 33 -3.773 9.648 2.809 1.00 0.00 C ATOM 522 O GLN A 33 -2.956 8.781 2.502 1.00 0.00 O ATOM 523 CB GLN A 33 -2.343 11.505 3.742 1.00 0.00 C ATOM 524 CG GLN A 33 -2.725 12.957 4.033 1.00 0.00 C ATOM 525 CD GLN A 33 -2.493 13.842 2.807 1.00 0.00 C ATOM 526 OE1 GLN A 33 -2.863 13.513 1.692 1.00 0.00 O ATOM 527 NE2 GLN A 33 -1.860 14.981 3.074 1.00 0.00 N ATOM 0 H GLN A 33 -2.982 8.818 5.037 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.407 11.179 4.165 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.495 11.217 4.363 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.025 11.410 2.704 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.773 13.009 4.330 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.137 13.330 4.872 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.577 15.195 4.030 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.657 15.640 2.322 1.00 0.00 H new ATOM 536 N ILE A 34 -4.909 9.870 2.165 1.00 0.00 N ATOM 537 CA ILE A 34 -5.280 9.076 1.007 1.00 0.00 C ATOM 538 C ILE A 34 -4.854 9.810 -0.267 1.00 0.00 C ATOM 539 O ILE A 34 -5.405 10.861 -0.595 1.00 0.00 O ATOM 540 CB ILE A 34 -6.770 8.730 1.049 1.00 0.00 C ATOM 541 CG1 ILE A 34 -7.598 9.928 1.520 1.00 0.00 C ATOM 542 CG2 ILE A 34 -7.020 7.488 1.905 1.00 0.00 C ATOM 543 CD1 ILE A 34 -8.921 10.013 0.758 1.00 0.00 C ATOM 0 H ILE A 34 -5.585 10.589 2.424 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.755 8.121 1.016 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.095 8.493 0.036 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.795 9.841 2.589 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.030 10.847 1.374 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.087 7.264 1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.476 6.641 1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.675 7.672 2.923 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.490 10.873 1.112 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.721 10.124 -0.308 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.497 9.103 0.926 1.00 0.00 H new ATOM 555 N THR A 35 -3.879 9.228 -0.949 1.00 0.00 N ATOM 556 CA THR A 35 -3.374 9.814 -2.179 1.00 0.00 C ATOM 557 C THR A 35 -3.488 8.814 -3.332 1.00 0.00 C ATOM 558 O THR A 35 -2.854 7.761 -3.308 1.00 0.00 O ATOM 559 CB THR A 35 -1.942 10.288 -1.924 1.00 0.00 C ATOM 560 OG1 THR A 35 -2.077 11.683 -1.671 1.00 0.00 O ATOM 561 CG2 THR A 35 -1.070 10.220 -3.180 1.00 0.00 C ATOM 0 H THR A 35 -3.425 8.357 -0.673 1.00 0.00 H new ATOM 0 HA THR A 35 -3.968 10.677 -2.479 1.00 0.00 H new ATOM 0 HB THR A 35 -1.494 9.681 -1.138 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.194 12.070 -1.494 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.064 10.567 -2.944 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.024 9.191 -3.536 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.500 10.853 -3.956 1.00 0.00 H new ATOM 569 N ALA A 36 -4.299 9.180 -4.313 1.00 0.00 N ATOM 570 CA ALA A 36 -4.503 8.328 -5.472 1.00 0.00 C ATOM 571 C ALA A 36 -4.199 9.123 -6.744 1.00 0.00 C ATOM 572 O ALA A 36 -4.539 10.301 -6.839 1.00 0.00 O ATOM 573 CB ALA A 36 -5.930 7.777 -5.457 1.00 0.00 C ATOM 0 H ALA A 36 -4.823 10.055 -4.329 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.824 7.476 -5.445 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.082 7.138 -6.327 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.086 7.196 -4.548 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.640 8.604 -5.486 1.00 0.00 H new ATOM 579 N ALA A 37 -3.562 8.447 -7.688 1.00 0.00 N ATOM 580 CA ALA A 37 -3.208 9.075 -8.950 1.00 0.00 C ATOM 581 C ALA A 37 -3.209 8.020 -10.058 1.00 0.00 C ATOM 582 O ALA A 37 -2.606 6.958 -9.909 1.00 0.00 O ATOM 583 CB ALA A 37 -1.855 9.773 -8.810 1.00 0.00 C ATOM 0 H ALA A 37 -3.281 7.470 -7.605 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.941 9.836 -9.220 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.589 10.244 -9.756 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.916 10.533 -8.031 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.094 9.040 -8.543 1.00 0.00 H new ATOM 589 N GLY A 38 -3.892 8.350 -11.144 1.00 0.00 N ATOM 590 CA GLY A 38 -3.978 7.443 -12.277 1.00 0.00 C ATOM 591 C GLY A 38 -3.974 5.985 -11.815 1.00 0.00 C ATOM 592 O GLY A 38 -5.029 5.405 -11.568 1.00 0.00 O ATOM 0 H GLY A 38 -4.391 9.232 -11.264 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.888 7.647 -12.842 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.139 7.617 -12.951 1.00 0.00 H new ATOM 596 N ASP A 39 -2.773 5.435 -11.711 1.00 0.00 N ATOM 597 CA ASP A 39 -2.616 4.055 -11.283 1.00 0.00 C ATOM 598 C ASP A 39 -1.324 3.921 -10.474 1.00 0.00 C ATOM 599 O ASP A 39 -0.690 4.920 -10.138 1.00 0.00 O ATOM 600 CB ASP A 39 -2.521 3.113 -12.484 1.00 0.00 C ATOM 601 CG ASP A 39 -3.684 2.130 -12.628 1.00 0.00 C ATOM 602 OD1 ASP A 39 -4.201 1.703 -11.571 1.00 0.00 O ATOM 603 OD2 ASP A 39 -4.030 1.824 -13.789 1.00 0.00 O ATOM 0 H ASP A 39 -1.899 5.920 -11.916 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.486 3.787 -10.683 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.457 3.712 -13.392 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.593 2.546 -12.410 1.00 0.00 H new ATOM 608 N GLY A 40 -0.972 2.677 -10.183 1.00 0.00 N ATOM 609 CA GLY A 40 0.233 2.399 -9.420 1.00 0.00 C ATOM 610 C GLY A 40 1.390 3.287 -9.880 1.00 0.00 C ATOM 611 O GLY A 40 2.117 3.841 -9.057 1.00 0.00 O ATOM 0 H GLY A 40 -1.500 1.850 -10.462 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.042 2.564 -8.360 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.507 1.350 -9.535 1.00 0.00 H new ATOM 615 N GLU A 41 1.527 3.393 -11.194 1.00 0.00 N ATOM 616 CA GLU A 41 2.584 4.203 -11.774 1.00 0.00 C ATOM 617 C GLU A 41 2.345 5.684 -11.469 1.00 0.00 C ATOM 618 O GLU A 41 3.214 6.355 -10.915 1.00 0.00 O ATOM 619 CB GLU A 41 2.694 3.964 -13.281 1.00 0.00 C ATOM 620 CG GLU A 41 3.625 2.788 -13.582 1.00 0.00 C ATOM 621 CD GLU A 41 4.237 2.916 -14.979 1.00 0.00 C ATOM 622 OE1 GLU A 41 3.989 3.964 -15.612 1.00 0.00 O ATOM 623 OE2 GLU A 41 4.938 1.963 -15.381 1.00 0.00 O ATOM 0 H GLU A 41 0.923 2.931 -11.873 1.00 0.00 H new ATOM 0 HA GLU A 41 3.531 3.907 -11.323 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.705 3.765 -13.695 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.069 4.864 -13.769 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.419 2.748 -12.836 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.070 1.853 -13.508 1.00 0.00 H new ATOM 630 N GLN A 42 1.163 6.149 -11.845 1.00 0.00 N ATOM 631 CA GLN A 42 0.799 7.538 -11.620 1.00 0.00 C ATOM 632 C GLN A 42 0.841 7.861 -10.125 1.00 0.00 C ATOM 633 O GLN A 42 1.352 8.908 -9.727 1.00 0.00 O ATOM 634 CB GLN A 42 -0.580 7.846 -12.208 1.00 0.00 C ATOM 635 CG GLN A 42 -0.615 9.249 -12.817 1.00 0.00 C ATOM 636 CD GLN A 42 -0.411 9.195 -14.332 1.00 0.00 C ATOM 637 OE1 GLN A 42 0.654 9.486 -14.852 1.00 0.00 O ATOM 638 NE2 GLN A 42 -1.487 8.805 -15.009 1.00 0.00 N ATOM 0 H GLN A 42 0.445 5.589 -12.304 1.00 0.00 H new ATOM 0 HA GLN A 42 1.525 8.171 -12.130 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.827 7.108 -12.971 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.338 7.765 -11.429 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.570 9.723 -12.592 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.161 9.865 -12.364 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.347 8.576 -14.511 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.452 8.735 -16.026 1.00 0.00 H new ATOM 647 N GLY A 43 0.299 6.943 -9.338 1.00 0.00 N ATOM 648 CA GLY A 43 0.269 7.119 -7.895 1.00 0.00 C ATOM 649 C GLY A 43 1.666 6.952 -7.294 1.00 0.00 C ATOM 650 O GLY A 43 1.947 7.475 -6.217 1.00 0.00 O ATOM 0 H GLY A 43 -0.122 6.076 -9.671 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.119 8.109 -7.654 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.411 6.393 -7.450 1.00 0.00 H new ATOM 654 N MET A 44 2.503 6.222 -8.015 1.00 0.00 N ATOM 655 CA MET A 44 3.864 5.980 -7.566 1.00 0.00 C ATOM 656 C MET A 44 4.686 7.270 -7.589 1.00 0.00 C ATOM 657 O MET A 44 5.325 7.620 -6.597 1.00 0.00 O ATOM 658 CB MET A 44 4.523 4.938 -8.473 1.00 0.00 C ATOM 659 CG MET A 44 6.045 4.956 -8.311 1.00 0.00 C ATOM 660 SD MET A 44 6.476 4.839 -6.583 1.00 0.00 S ATOM 661 CE MET A 44 8.195 5.316 -6.660 1.00 0.00 C ATOM 0 H MET A 44 2.265 5.790 -8.908 1.00 0.00 H new ATOM 0 HA MET A 44 3.829 5.612 -6.541 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.140 3.946 -8.233 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.262 5.137 -9.512 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.487 4.126 -8.862 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.453 5.873 -8.735 1.00 0.00 H new ATOM 0 HE1 MET A 44 8.807 4.549 -6.185 1.00 0.00 H new ATOM 0 HE2 MET A 44 8.496 5.427 -7.702 1.00 0.00 H new ATOM 0 HE3 MET A 44 8.333 6.264 -6.140 1.00 0.00 H new ATOM 671 N LYS A 45 4.643 7.942 -8.730 1.00 0.00 N ATOM 672 CA LYS A 45 5.376 9.185 -8.894 1.00 0.00 C ATOM 673 C LYS A 45 4.728 10.272 -8.033 1.00 0.00 C ATOM 674 O LYS A 45 5.424 11.080 -7.421 1.00 0.00 O ATOM 675 CB LYS A 45 5.480 9.555 -10.375 1.00 0.00 C ATOM 676 CG LYS A 45 4.093 9.642 -11.017 1.00 0.00 C ATOM 677 CD LYS A 45 4.075 8.949 -12.380 1.00 0.00 C ATOM 678 CE LYS A 45 3.444 9.849 -13.445 1.00 0.00 C ATOM 679 NZ LYS A 45 2.321 10.623 -12.870 1.00 0.00 N ATOM 0 H LYS A 45 4.112 7.649 -9.550 1.00 0.00 H new ATOM 0 HA LYS A 45 6.402 9.070 -8.545 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.994 10.511 -10.480 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.081 8.811 -10.898 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.355 9.181 -10.361 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.807 10.687 -11.133 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.092 8.690 -12.674 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.516 8.016 -12.310 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.195 10.530 -13.846 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.087 9.242 -14.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.562 10.710 -13.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.957 10.133 -12.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.654 11.571 -12.602 1.00 0.00 H new ATOM 693 N ILE A 46 3.403 10.256 -8.015 1.00 0.00 N ATOM 694 CA ILE A 46 2.654 11.229 -7.239 1.00 0.00 C ATOM 695 C ILE A 46 2.907 10.992 -5.749 1.00 0.00 C ATOM 696 O ILE A 46 2.922 11.937 -4.960 1.00 0.00 O ATOM 697 CB ILE A 46 1.174 11.195 -7.623 1.00 0.00 C ATOM 698 CG1 ILE A 46 0.904 12.081 -8.842 1.00 0.00 C ATOM 699 CG2 ILE A 46 0.289 11.572 -6.434 1.00 0.00 C ATOM 700 CD1 ILE A 46 1.449 11.439 -10.119 1.00 0.00 C ATOM 0 H ILE A 46 2.829 9.585 -8.525 1.00 0.00 H new ATOM 0 HA ILE A 46 2.996 12.239 -7.464 1.00 0.00 H new ATOM 0 HB ILE A 46 0.918 10.173 -7.903 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.168 12.248 -8.944 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.366 13.057 -8.696 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.758 11.540 -6.735 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.454 10.867 -5.619 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.539 12.579 -6.099 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.244 12.089 -10.969 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.525 11.296 -10.023 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.967 10.474 -10.275 1.00 0.00 H new ATOM 712 N MET A 47 3.103 9.727 -5.408 1.00 0.00 N ATOM 713 CA MET A 47 3.355 9.355 -4.026 1.00 0.00 C ATOM 714 C MET A 47 4.807 9.643 -3.638 1.00 0.00 C ATOM 715 O MET A 47 5.068 10.216 -2.582 1.00 0.00 O ATOM 716 CB MET A 47 3.062 7.865 -3.838 1.00 0.00 C ATOM 717 CG MET A 47 3.696 7.340 -2.547 1.00 0.00 C ATOM 718 SD MET A 47 3.747 5.557 -2.573 1.00 0.00 S ATOM 719 CE MET A 47 5.069 5.303 -3.746 1.00 0.00 C ATOM 0 H MET A 47 3.092 8.947 -6.065 1.00 0.00 H new ATOM 0 HA MET A 47 2.703 9.947 -3.384 1.00 0.00 H new ATOM 0 HB2 MET A 47 1.984 7.703 -3.810 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.446 7.305 -4.690 1.00 0.00 H new ATOM 0 HG2 MET A 47 4.704 7.739 -2.439 1.00 0.00 H new ATOM 0 HG3 MET A 47 3.123 7.683 -1.685 1.00 0.00 H new ATOM 0 HE1 MET A 47 4.669 4.846 -4.651 1.00 0.00 H new ATOM 0 HE2 MET A 47 5.525 6.262 -3.994 1.00 0.00 H new ATOM 0 HE3 MET A 47 5.821 4.646 -3.310 1.00 0.00 H new ATOM 729 N ALA A 48 5.713 9.232 -4.512 1.00 0.00 N ATOM 730 CA ALA A 48 7.132 9.439 -4.273 1.00 0.00 C ATOM 731 C ALA A 48 7.429 10.939 -4.261 1.00 0.00 C ATOM 732 O ALA A 48 8.165 11.422 -3.403 1.00 0.00 O ATOM 733 CB ALA A 48 7.942 8.692 -5.335 1.00 0.00 C ATOM 0 H ALA A 48 5.493 8.756 -5.387 1.00 0.00 H new ATOM 0 HA ALA A 48 7.421 9.039 -3.301 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.006 8.847 -5.157 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.716 7.627 -5.282 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.681 9.070 -6.324 1.00 0.00 H new ATOM 739 N GLN A 49 6.840 11.634 -5.223 1.00 0.00 N ATOM 740 CA GLN A 49 7.033 13.071 -5.334 1.00 0.00 C ATOM 741 C GLN A 49 6.727 13.751 -3.998 1.00 0.00 C ATOM 742 O GLN A 49 7.160 14.877 -3.759 1.00 0.00 O ATOM 743 CB GLN A 49 6.172 13.654 -6.457 1.00 0.00 C ATOM 744 CG GLN A 49 6.958 13.730 -7.767 1.00 0.00 C ATOM 745 CD GLN A 49 7.886 14.947 -7.780 1.00 0.00 C ATOM 746 OE1 GLN A 49 7.683 15.921 -7.075 1.00 0.00 O ATOM 747 NE2 GLN A 49 8.911 14.836 -8.620 1.00 0.00 N ATOM 0 H GLN A 49 6.229 11.230 -5.933 1.00 0.00 H new ATOM 0 HA GLN A 49 8.076 13.261 -5.585 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.284 13.037 -6.597 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.828 14.650 -6.177 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.544 12.820 -7.897 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.266 13.787 -8.608 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.021 13.992 -9.181 1.00 0.00 H new ATOM 0 HE22 GLN A 49 9.587 15.595 -8.703 1.00 0.00 H new ATOM 756 N ASN A 50 5.985 13.039 -3.164 1.00 0.00 N ATOM 757 CA ASN A 50 5.617 13.561 -1.858 1.00 0.00 C ATOM 758 C ASN A 50 5.838 12.478 -0.801 1.00 0.00 C ATOM 759 O ASN A 50 6.358 11.405 -1.104 1.00 0.00 O ATOM 760 CB ASN A 50 4.142 13.963 -1.822 1.00 0.00 C ATOM 761 CG ASN A 50 3.565 14.063 -3.235 1.00 0.00 C ATOM 762 OD1 ASN A 50 4.232 14.453 -4.180 1.00 0.00 O ATOM 763 ND2 ASN A 50 2.292 13.690 -3.328 1.00 0.00 N ATOM 0 H ASN A 50 5.628 12.105 -3.366 1.00 0.00 H new ATOM 0 HA ASN A 50 6.234 14.437 -1.658 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.576 13.231 -1.246 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.035 14.921 -1.313 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.816 13.720 -4.230 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.791 13.374 -2.498 1.00 0.00 H new ATOM 770 N PRO A 51 5.421 12.804 0.452 1.00 0.00 N ATOM 771 CA PRO A 51 5.569 11.872 1.557 1.00 0.00 C ATOM 772 C PRO A 51 4.533 10.749 1.468 1.00 0.00 C ATOM 773 O PRO A 51 3.434 10.953 0.957 1.00 0.00 O ATOM 774 CB PRO A 51 5.418 12.720 2.810 1.00 0.00 C ATOM 775 CG PRO A 51 4.734 14.003 2.366 1.00 0.00 C ATOM 776 CD PRO A 51 4.801 14.065 0.849 1.00 0.00 C ATOM 0 HA PRO A 51 6.532 11.362 1.551 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.825 12.202 3.563 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.389 12.930 3.259 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.698 14.020 2.703 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.227 14.870 2.806 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.808 14.172 0.413 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.390 14.919 0.513 1.00 0.00 H new ATOM 784 N HIS A 52 4.923 9.587 1.974 1.00 0.00 N ATOM 785 CA HIS A 52 4.042 8.432 1.957 1.00 0.00 C ATOM 786 C HIS A 52 4.603 7.347 2.879 1.00 0.00 C ATOM 787 O HIS A 52 5.806 7.305 3.134 1.00 0.00 O ATOM 788 CB HIS A 52 3.819 7.938 0.527 1.00 0.00 C ATOM 789 CG HIS A 52 5.067 7.416 -0.144 1.00 0.00 C ATOM 790 ND1 HIS A 52 6.043 8.247 -0.667 1.00 0.00 N ATOM 791 CD2 HIS A 52 5.489 6.138 -0.371 1.00 0.00 C ATOM 792 CE1 HIS A 52 7.002 7.494 -1.183 1.00 0.00 C ATOM 793 NE2 HIS A 52 6.657 6.188 -0.999 1.00 0.00 N ATOM 0 H HIS A 52 5.836 9.422 2.398 1.00 0.00 H new ATOM 0 HA HIS A 52 3.060 8.713 2.338 1.00 0.00 H new ATOM 0 HB2 HIS A 52 3.068 7.148 0.539 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.413 8.755 -0.069 1.00 0.00 H new ATOM 0 HD1 HIS A 52 6.026 9.267 -0.657 1.00 0.00 H new ATOM 0 HD2 HIS A 52 4.962 5.239 -0.088 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.900 7.852 -1.665 1.00 0.00 H new ATOM 802 N HIS A 53 3.706 6.494 3.351 1.00 0.00 N ATOM 803 CA HIS A 53 4.096 5.412 4.237 1.00 0.00 C ATOM 804 C HIS A 53 3.212 4.191 3.977 1.00 0.00 C ATOM 805 O HIS A 53 3.207 3.245 4.763 1.00 0.00 O ATOM 806 CB HIS A 53 4.063 5.867 5.698 1.00 0.00 C ATOM 807 CG HIS A 53 4.390 4.775 6.689 1.00 0.00 C ATOM 808 ND1 HIS A 53 3.576 4.002 7.464 1.00 0.00 N flip ATOM 809 CD2 HIS A 53 5.687 4.379 6.968 1.00 0.00 C flip ATOM 810 CE1 HIS A 53 4.334 3.178 8.177 1.00 0.00 C flip ATOM 811 NE2 HIS A 53 5.643 3.410 7.871 1.00 0.00 N flip ATOM 0 H HIS A 53 2.710 6.531 3.136 1.00 0.00 H new ATOM 0 HA HIS A 53 5.126 5.122 4.030 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.770 6.686 5.829 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.072 6.262 5.922 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.582 4.790 6.525 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.974 2.445 8.883 1.00 0.00 H new ATOM 0 HE2 HIS A 53 6.447 2.923 8.268 1.00 0.00 H new ATOM 820 N LEU A 54 2.486 4.251 2.871 1.00 0.00 N ATOM 821 CA LEU A 54 1.599 3.161 2.497 1.00 0.00 C ATOM 822 C LEU A 54 1.359 3.202 0.987 1.00 0.00 C ATOM 823 O LEU A 54 1.131 4.269 0.418 1.00 0.00 O ATOM 824 CB LEU A 54 0.314 3.209 3.327 1.00 0.00 C ATOM 825 CG LEU A 54 0.220 2.203 4.476 1.00 0.00 C ATOM 826 CD1 LEU A 54 0.168 2.918 5.827 1.00 0.00 C ATOM 827 CD2 LEU A 54 -0.966 1.256 4.280 1.00 0.00 C ATOM 0 H LEU A 54 2.493 5.037 2.221 1.00 0.00 H new ATOM 0 HA LEU A 54 2.060 2.199 2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.209 4.212 3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.532 3.048 2.659 1.00 0.00 H new ATOM 0 HG LEU A 54 1.123 1.592 4.471 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.101 2.180 6.627 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.071 3.515 5.958 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.705 3.569 5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.010 0.551 5.110 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.890 1.833 4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.844 0.708 3.345 1.00 0.00 H new ATOM 839 N VAL A 55 1.416 2.026 0.379 1.00 0.00 N ATOM 840 CA VAL A 55 1.207 1.913 -1.055 1.00 0.00 C ATOM 841 C VAL A 55 0.245 0.757 -1.335 1.00 0.00 C ATOM 842 O VAL A 55 0.660 -0.399 -1.400 1.00 0.00 O ATOM 843 CB VAL A 55 2.551 1.759 -1.768 1.00 0.00 C ATOM 844 CG1 VAL A 55 2.374 1.811 -3.287 1.00 0.00 C ATOM 845 CG2 VAL A 55 3.548 2.819 -1.295 1.00 0.00 C ATOM 0 H VAL A 55 1.604 1.143 0.853 1.00 0.00 H new ATOM 0 HA VAL A 55 0.748 2.820 -1.448 1.00 0.00 H new ATOM 0 HB VAL A 55 2.957 0.780 -1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.345 1.699 -3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.715 1.003 -3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.936 2.768 -3.570 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.495 2.687 -1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.152 3.812 -1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.708 2.715 -0.222 1.00 0.00 H new ATOM 855 N ILE A 56 -1.022 1.109 -1.496 1.00 0.00 N ATOM 856 CA ILE A 56 -2.047 0.115 -1.768 1.00 0.00 C ATOM 857 C ILE A 56 -2.618 0.350 -3.168 1.00 0.00 C ATOM 858 O ILE A 56 -2.905 1.486 -3.542 1.00 0.00 O ATOM 859 CB ILE A 56 -3.104 0.118 -0.662 1.00 0.00 C ATOM 860 CG1 ILE A 56 -4.390 0.801 -1.135 1.00 0.00 C ATOM 861 CG2 ILE A 56 -2.557 0.752 0.617 1.00 0.00 C ATOM 862 CD1 ILE A 56 -5.234 -0.151 -1.985 1.00 0.00 C ATOM 0 H ILE A 56 -1.362 2.069 -1.443 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.619 -0.887 -1.762 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.355 -0.916 -0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.968 1.134 -0.273 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.142 1.690 -1.715 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.328 0.741 1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.692 0.186 0.962 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.260 1.781 0.415 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.142 0.358 -2.309 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.662 -0.463 -2.859 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.500 -1.027 -1.394 1.00 0.00 H new ATOM 874 N SER A 57 -2.768 -0.743 -3.901 1.00 0.00 N ATOM 875 CA SER A 57 -3.300 -0.670 -5.252 1.00 0.00 C ATOM 876 C SER A 57 -4.206 -1.873 -5.522 1.00 0.00 C ATOM 877 O SER A 57 -4.262 -2.805 -4.721 1.00 0.00 O ATOM 878 CB SER A 57 -2.174 -0.611 -6.286 1.00 0.00 C ATOM 879 OG SER A 57 -2.212 -1.719 -7.180 1.00 0.00 O ATOM 0 H SER A 57 -2.531 -1.684 -3.586 1.00 0.00 H new ATOM 0 HA SER A 57 -3.885 0.246 -5.340 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.252 0.316 -6.854 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.212 -0.591 -5.774 1.00 0.00 H new ATOM 0 HG SER A 57 -1.600 -2.416 -6.863 1.00 0.00 H new ATOM 885 N ASP A 58 -4.892 -1.815 -6.655 1.00 0.00 N ATOM 886 CA ASP A 58 -5.792 -2.888 -7.040 1.00 0.00 C ATOM 887 C ASP A 58 -5.100 -3.783 -8.070 1.00 0.00 C ATOM 888 O ASP A 58 -3.918 -3.602 -8.360 1.00 0.00 O ATOM 889 CB ASP A 58 -7.068 -2.334 -7.677 1.00 0.00 C ATOM 890 CG ASP A 58 -8.373 -2.830 -7.050 1.00 0.00 C ATOM 891 OD1 ASP A 58 -8.382 -2.986 -5.809 1.00 0.00 O ATOM 892 OD2 ASP A 58 -9.330 -3.043 -7.824 1.00 0.00 O ATOM 0 H ASP A 58 -4.842 -1.041 -7.318 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.051 -3.450 -6.142 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.044 -1.246 -7.616 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.070 -2.594 -8.736 1.00 0.00 H new ATOM 897 N PHE A 59 -5.865 -4.731 -8.593 1.00 0.00 N ATOM 898 CA PHE A 59 -5.339 -5.655 -9.583 1.00 0.00 C ATOM 899 C PHE A 59 -6.025 -5.457 -10.936 1.00 0.00 C ATOM 900 O PHE A 59 -5.932 -6.312 -11.816 1.00 0.00 O ATOM 901 CB PHE A 59 -5.633 -7.068 -9.077 1.00 0.00 C ATOM 902 CG PHE A 59 -7.034 -7.238 -8.486 1.00 0.00 C ATOM 903 CD1 PHE A 59 -8.061 -6.469 -8.938 1.00 0.00 C ATOM 904 CD2 PHE A 59 -7.253 -8.160 -7.510 1.00 0.00 C ATOM 905 CE1 PHE A 59 -9.361 -6.627 -8.389 1.00 0.00 C ATOM 906 CE2 PHE A 59 -8.553 -8.318 -6.962 1.00 0.00 C ATOM 907 CZ PHE A 59 -9.580 -7.548 -7.413 1.00 0.00 C ATOM 0 H PHE A 59 -6.844 -4.879 -8.350 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.271 -5.486 -9.719 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.510 -7.771 -9.901 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.896 -7.332 -8.319 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.888 -5.738 -9.714 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.438 -8.772 -7.152 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -10.176 -6.015 -8.747 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.727 -9.050 -6.187 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.569 -7.668 -6.996 1.00 0.00 H new ATOM 917 N ASN A 60 -6.701 -4.324 -11.061 1.00 0.00 N ATOM 918 CA ASN A 60 -7.404 -4.003 -12.292 1.00 0.00 C ATOM 919 C ASN A 60 -6.413 -4.017 -13.457 1.00 0.00 C ATOM 920 O ASN A 60 -6.319 -5.005 -14.184 1.00 0.00 O ATOM 921 CB ASN A 60 -8.032 -2.609 -12.221 1.00 0.00 C ATOM 922 CG ASN A 60 -9.556 -2.698 -12.142 1.00 0.00 C ATOM 923 OD1 ASN A 60 -10.272 -2.368 -13.073 1.00 0.00 O ATOM 924 ND2 ASN A 60 -10.012 -3.159 -10.980 1.00 0.00 N ATOM 0 H ASN A 60 -6.777 -3.617 -10.330 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.190 -4.745 -12.435 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.650 -2.078 -11.349 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.743 -2.031 -13.099 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.016 -3.254 -10.828 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.357 -3.418 -10.242 1.00 0.00 H new ATOM 931 N MET A 61 -5.701 -2.909 -13.600 1.00 0.00 N ATOM 932 CA MET A 61 -4.721 -2.782 -14.666 1.00 0.00 C ATOM 933 C MET A 61 -3.701 -1.686 -14.344 1.00 0.00 C ATOM 934 O MET A 61 -3.435 -0.818 -15.174 1.00 0.00 O ATOM 935 CB MET A 61 -5.434 -2.447 -15.977 1.00 0.00 C ATOM 936 CG MET A 61 -6.372 -1.250 -15.802 1.00 0.00 C ATOM 937 SD MET A 61 -7.662 -1.300 -17.034 1.00 0.00 S ATOM 938 CE MET A 61 -7.178 0.090 -18.045 1.00 0.00 C ATOM 0 H MET A 61 -5.783 -2.091 -12.996 1.00 0.00 H new ATOM 0 HA MET A 61 -4.191 -3.729 -14.763 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.697 -2.226 -16.749 1.00 0.00 H new ATOM 0 HB3 MET A 61 -6.003 -3.312 -16.317 1.00 0.00 H new ATOM 0 HG2 MET A 61 -6.810 -1.264 -14.804 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.809 -0.321 -15.890 1.00 0.00 H new ATOM 0 HE1 MET A 61 -7.882 0.203 -18.869 1.00 0.00 H new ATOM 0 HE2 MET A 61 -7.178 0.997 -17.440 1.00 0.00 H new ATOM 0 HE3 MET A 61 -6.178 -0.081 -18.444 1.00 0.00 H new ATOM 948 N PRO A 62 -3.144 -1.766 -13.107 1.00 0.00 N ATOM 949 CA PRO A 62 -2.159 -0.793 -12.666 1.00 0.00 C ATOM 950 C PRO A 62 -0.804 -1.044 -13.330 1.00 0.00 C ATOM 951 O PRO A 62 -0.388 -2.190 -13.485 1.00 0.00 O ATOM 952 CB PRO A 62 -2.115 -0.935 -11.153 1.00 0.00 C ATOM 953 CG PRO A 62 -2.726 -2.292 -10.845 1.00 0.00 C ATOM 954 CD PRO A 62 -3.435 -2.781 -12.098 1.00 0.00 C ATOM 0 HA PRO A 62 -2.420 0.227 -12.949 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -1.091 -0.875 -10.785 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.675 -0.135 -10.669 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.953 -2.999 -10.544 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.428 -2.215 -10.015 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.068 -3.761 -12.404 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -4.508 -2.880 -11.933 1.00 0.00 H new ATOM 962 N LYS A 63 -0.153 0.047 -13.705 1.00 0.00 N ATOM 963 CA LYS A 63 1.146 -0.040 -14.349 1.00 0.00 C ATOM 964 C LYS A 63 2.209 -0.371 -13.300 1.00 0.00 C ATOM 965 O LYS A 63 3.295 -0.840 -13.638 1.00 0.00 O ATOM 966 CB LYS A 63 1.439 1.237 -15.140 1.00 0.00 C ATOM 967 CG LYS A 63 0.627 1.276 -16.437 1.00 0.00 C ATOM 968 CD LYS A 63 0.934 0.060 -17.313 1.00 0.00 C ATOM 969 CE LYS A 63 0.714 0.381 -18.793 1.00 0.00 C ATOM 970 NZ LYS A 63 -0.349 -0.480 -19.358 1.00 0.00 N ATOM 0 H LYS A 63 -0.501 0.997 -13.575 1.00 0.00 H new ATOM 0 HA LYS A 63 1.156 -0.849 -15.080 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.201 2.109 -14.531 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.503 1.290 -15.371 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.437 1.301 -16.203 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.854 2.190 -16.985 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.965 -0.255 -17.155 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.297 -0.774 -17.020 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.439 1.430 -18.907 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.642 0.233 -19.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.485 -0.249 -20.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.072 -1.478 -19.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.237 -0.318 -18.842 1.00 0.00 H new ATOM 984 N MET A 64 1.859 -0.114 -12.049 1.00 0.00 N ATOM 985 CA MET A 64 2.771 -0.380 -10.948 1.00 0.00 C ATOM 986 C MET A 64 2.025 -0.968 -9.748 1.00 0.00 C ATOM 987 O MET A 64 1.626 -0.239 -8.842 1.00 0.00 O ATOM 988 CB MET A 64 3.460 0.921 -10.532 1.00 0.00 C ATOM 989 CG MET A 64 4.951 0.693 -10.276 1.00 0.00 C ATOM 990 SD MET A 64 5.816 0.511 -11.827 1.00 0.00 S ATOM 991 CE MET A 64 7.298 1.440 -11.467 1.00 0.00 C ATOM 0 H MET A 64 0.958 0.275 -11.772 1.00 0.00 H new ATOM 0 HA MET A 64 3.513 -1.105 -11.282 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.332 1.671 -11.313 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.989 1.315 -9.632 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.365 1.532 -9.716 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.091 -0.199 -9.665 1.00 0.00 H new ATOM 0 HE1 MET A 64 7.871 1.580 -12.383 1.00 0.00 H new ATOM 0 HE2 MET A 64 7.027 2.413 -11.056 1.00 0.00 H new ATOM 0 HE3 MET A 64 7.902 0.895 -10.741 1.00 0.00 H new ATOM 1001 N ASP A 65 1.859 -2.283 -9.783 1.00 0.00 N ATOM 1002 CA ASP A 65 1.169 -2.978 -8.710 1.00 0.00 C ATOM 1003 C ASP A 65 2.100 -3.097 -7.502 1.00 0.00 C ATOM 1004 O ASP A 65 3.270 -2.725 -7.577 1.00 0.00 O ATOM 1005 CB ASP A 65 0.767 -4.390 -9.138 1.00 0.00 C ATOM 1006 CG ASP A 65 -0.079 -5.159 -8.120 1.00 0.00 C ATOM 1007 OD1 ASP A 65 -0.979 -4.520 -7.533 1.00 0.00 O ATOM 1008 OD2 ASP A 65 0.194 -6.368 -7.953 1.00 0.00 O ATOM 0 H ASP A 65 2.190 -2.884 -10.537 1.00 0.00 H new ATOM 0 HA ASP A 65 0.274 -2.408 -8.460 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.212 -4.325 -10.074 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.672 -4.963 -9.343 1.00 0.00 H new ATOM 1013 N GLY A 66 1.546 -3.618 -6.417 1.00 0.00 N ATOM 1014 CA GLY A 66 2.313 -3.791 -5.195 1.00 0.00 C ATOM 1015 C GLY A 66 3.780 -4.098 -5.506 1.00 0.00 C ATOM 1016 O GLY A 66 4.672 -3.347 -5.115 1.00 0.00 O ATOM 0 H GLY A 66 0.575 -3.926 -6.359 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.248 -2.887 -4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.885 -4.602 -4.605 1.00 0.00 H new ATOM 1020 N LEU A 67 3.983 -5.204 -6.209 1.00 0.00 N ATOM 1021 CA LEU A 67 5.325 -5.620 -6.577 1.00 0.00 C ATOM 1022 C LEU A 67 6.011 -4.491 -7.350 1.00 0.00 C ATOM 1023 O LEU A 67 7.165 -4.161 -7.081 1.00 0.00 O ATOM 1024 CB LEU A 67 5.286 -6.948 -7.335 1.00 0.00 C ATOM 1025 CG LEU A 67 4.734 -8.146 -6.561 1.00 0.00 C ATOM 1026 CD1 LEU A 67 5.505 -9.422 -6.904 1.00 0.00 C ATOM 1027 CD2 LEU A 67 4.724 -7.869 -5.056 1.00 0.00 C ATOM 0 H LEU A 67 3.240 -5.824 -6.533 1.00 0.00 H new ATOM 0 HA LEU A 67 5.923 -5.806 -5.685 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.684 -6.813 -8.234 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.298 -7.187 -7.662 1.00 0.00 H new ATOM 0 HG LEU A 67 3.699 -8.303 -6.866 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.093 -10.259 -6.340 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.417 -9.625 -7.971 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.556 -9.293 -6.645 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.327 -8.737 -4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.740 -7.672 -4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.097 -7.001 -4.850 1.00 0.00 H new ATOM 1039 N GLY A 68 5.270 -3.929 -8.294 1.00 0.00 N ATOM 1040 CA GLY A 68 5.791 -2.843 -9.108 1.00 0.00 C ATOM 1041 C GLY A 68 6.324 -1.708 -8.231 1.00 0.00 C ATOM 1042 O GLY A 68 7.387 -1.153 -8.506 1.00 0.00 O ATOM 0 H GLY A 68 4.313 -4.205 -8.514 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.588 -3.216 -9.751 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.005 -2.464 -9.762 1.00 0.00 H new ATOM 1046 N LEU A 69 5.560 -1.396 -7.194 1.00 0.00 N ATOM 1047 CA LEU A 69 5.941 -0.336 -6.276 1.00 0.00 C ATOM 1048 C LEU A 69 7.218 -0.742 -5.539 1.00 0.00 C ATOM 1049 O LEU A 69 8.103 0.085 -5.322 1.00 0.00 O ATOM 1050 CB LEU A 69 4.778 0.010 -5.345 1.00 0.00 C ATOM 1051 CG LEU A 69 3.668 0.874 -5.950 1.00 0.00 C ATOM 1052 CD1 LEU A 69 4.038 1.330 -7.363 1.00 0.00 C ATOM 1053 CD2 LEU A 69 2.325 0.143 -5.917 1.00 0.00 C ATOM 0 H LEU A 69 4.679 -1.859 -6.969 1.00 0.00 H new ATOM 0 HA LEU A 69 6.165 0.580 -6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.334 -0.920 -4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.178 0.526 -4.472 1.00 0.00 H new ATOM 0 HG LEU A 69 3.561 1.771 -5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.233 1.942 -7.770 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.957 1.916 -7.327 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.188 0.458 -7.999 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.554 0.779 -6.352 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.400 -0.781 -6.490 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.063 -0.090 -4.885 1.00 0.00 H new ATOM 1065 N LEU A 70 7.274 -2.015 -5.174 1.00 0.00 N ATOM 1066 CA LEU A 70 8.429 -2.540 -4.465 1.00 0.00 C ATOM 1067 C LEU A 70 9.686 -2.317 -5.310 1.00 0.00 C ATOM 1068 O LEU A 70 10.714 -1.878 -4.796 1.00 0.00 O ATOM 1069 CB LEU A 70 8.201 -4.002 -4.077 1.00 0.00 C ATOM 1070 CG LEU A 70 9.421 -4.920 -4.172 1.00 0.00 C ATOM 1071 CD1 LEU A 70 9.585 -5.469 -5.590 1.00 0.00 C ATOM 1072 CD2 LEU A 70 10.683 -4.206 -3.683 1.00 0.00 C ATOM 0 H LEU A 70 6.538 -2.698 -5.356 1.00 0.00 H new ATOM 0 HA LEU A 70 8.575 -2.004 -3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.828 -4.031 -3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.415 -4.408 -4.714 1.00 0.00 H new ATOM 0 HG LEU A 70 9.259 -5.774 -3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.459 -6.118 -5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.697 -6.039 -5.865 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.715 -4.642 -6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.536 -4.880 -3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.862 -3.323 -4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.552 -3.906 -2.643 1.00 0.00 H new ATOM 1084 N GLN A 71 9.561 -2.631 -6.591 1.00 0.00 N ATOM 1085 CA GLN A 71 10.673 -2.470 -7.512 1.00 0.00 C ATOM 1086 C GLN A 71 11.094 -1.001 -7.586 1.00 0.00 C ATOM 1087 O GLN A 71 12.278 -0.696 -7.716 1.00 0.00 O ATOM 1088 CB GLN A 71 10.319 -3.009 -8.899 1.00 0.00 C ATOM 1089 CG GLN A 71 10.507 -4.527 -8.961 1.00 0.00 C ATOM 1090 CD GLN A 71 10.848 -4.979 -10.382 1.00 0.00 C ATOM 1091 OE1 GLN A 71 10.235 -4.572 -11.355 1.00 0.00 O ATOM 1092 NE2 GLN A 71 11.859 -5.841 -10.448 1.00 0.00 N ATOM 0 H GLN A 71 8.707 -2.996 -7.013 1.00 0.00 H new ATOM 0 HA GLN A 71 11.516 -3.050 -7.137 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.286 -2.757 -9.139 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.947 -2.530 -9.650 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.303 -4.827 -8.279 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.597 -5.024 -8.626 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.330 -6.141 -9.594 1.00 0.00 H new ATOM 0 HE22 GLN A 71 12.164 -6.202 -11.352 1.00 0.00 H new ATOM 1101 N ALA A 72 10.100 -0.128 -7.500 1.00 0.00 N ATOM 1102 CA ALA A 72 10.351 1.301 -7.556 1.00 0.00 C ATOM 1103 C ALA A 72 11.095 1.734 -6.291 1.00 0.00 C ATOM 1104 O ALA A 72 12.063 2.488 -6.364 1.00 0.00 O ATOM 1105 CB ALA A 72 9.027 2.047 -7.737 1.00 0.00 C ATOM 0 H ALA A 72 9.119 -0.384 -7.392 1.00 0.00 H new ATOM 0 HA ALA A 72 10.982 1.545 -8.410 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.216 3.120 -7.779 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.552 1.726 -8.664 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.368 1.828 -6.897 1.00 0.00 H new ATOM 1111 N VAL A 73 10.613 1.237 -5.161 1.00 0.00 N ATOM 1112 CA VAL A 73 11.220 1.563 -3.882 1.00 0.00 C ATOM 1113 C VAL A 73 12.705 1.193 -3.918 1.00 0.00 C ATOM 1114 O VAL A 73 13.537 1.895 -3.344 1.00 0.00 O ATOM 1115 CB VAL A 73 10.458 0.870 -2.750 1.00 0.00 C ATOM 1116 CG1 VAL A 73 8.949 0.917 -2.996 1.00 0.00 C ATOM 1117 CG2 VAL A 73 10.940 -0.570 -2.566 1.00 0.00 C ATOM 0 H VAL A 73 9.809 0.611 -5.105 1.00 0.00 H new ATOM 0 HA VAL A 73 11.157 2.634 -3.691 1.00 0.00 H new ATOM 0 HB VAL A 73 10.663 1.412 -1.827 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.431 0.418 -2.177 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.622 1.955 -3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.717 0.412 -3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.382 -1.040 -1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.779 -1.128 -3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.003 -0.570 -2.323 1.00 0.00 H new ATOM 1127 N ARG A 74 12.991 0.093 -4.597 1.00 0.00 N ATOM 1128 CA ARG A 74 14.361 -0.379 -4.716 1.00 0.00 C ATOM 1129 C ARG A 74 15.231 0.682 -5.391 1.00 0.00 C ATOM 1130 O ARG A 74 16.454 0.660 -5.265 1.00 0.00 O ATOM 1131 CB ARG A 74 14.428 -1.674 -5.526 1.00 0.00 C ATOM 1132 CG ARG A 74 14.389 -2.898 -4.607 1.00 0.00 C ATOM 1133 CD ARG A 74 14.930 -4.138 -5.322 1.00 0.00 C ATOM 1134 NE ARG A 74 13.855 -5.145 -5.472 1.00 0.00 N ATOM 1135 CZ ARG A 74 13.858 -6.114 -6.398 1.00 0.00 C ATOM 1136 NH1 ARG A 74 14.877 -6.211 -7.263 1.00 0.00 N ATOM 1137 NH2 ARG A 74 12.840 -6.983 -6.461 1.00 0.00 N ATOM 0 H ARG A 74 12.298 -0.486 -5.071 1.00 0.00 H new ATOM 0 HA ARG A 74 14.734 -0.573 -3.710 1.00 0.00 H new ATOM 0 HB2 ARG A 74 13.593 -1.713 -6.226 1.00 0.00 H new ATOM 0 HB3 ARG A 74 15.342 -1.689 -6.119 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.979 -2.704 -3.711 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.365 -3.080 -4.281 1.00 0.00 H new ATOM 0 HD2 ARG A 74 15.320 -3.862 -6.302 1.00 0.00 H new ATOM 0 HD3 ARG A 74 15.760 -4.561 -4.756 1.00 0.00 H new ATOM 0 HE ARG A 74 13.063 -5.098 -4.831 1.00 0.00 H new ATOM 0 HH11 ARG A 74 15.650 -5.547 -7.217 1.00 0.00 H new ATOM 0 HH12 ARG A 74 14.879 -6.948 -7.968 1.00 0.00 H new ATOM 0 HH21 ARG A 74 12.063 -6.907 -5.804 1.00 0.00 H new ATOM 0 HH22 ARG A 74 12.842 -7.721 -7.166 1.00 0.00 H new ATOM 1151 N ALA A 75 14.566 1.589 -6.091 1.00 0.00 N ATOM 1152 CA ALA A 75 15.263 2.657 -6.787 1.00 0.00 C ATOM 1153 C ALA A 75 15.204 3.932 -5.943 1.00 0.00 C ATOM 1154 O ALA A 75 16.066 4.801 -6.064 1.00 0.00 O ATOM 1155 CB ALA A 75 14.651 2.848 -8.176 1.00 0.00 C ATOM 0 H ALA A 75 13.551 1.606 -6.191 1.00 0.00 H new ATOM 0 HA ALA A 75 16.313 2.402 -6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.175 3.649 -8.697 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.745 1.923 -8.745 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.597 3.108 -8.077 1.00 0.00 H new ATOM 1161 N ASN A 76 14.178 4.005 -5.109 1.00 0.00 N ATOM 1162 CA ASN A 76 13.995 5.160 -4.246 1.00 0.00 C ATOM 1163 C ASN A 76 13.875 4.691 -2.795 1.00 0.00 C ATOM 1164 O ASN A 76 12.914 4.016 -2.433 1.00 0.00 O ATOM 1165 CB ASN A 76 12.715 5.918 -4.604 1.00 0.00 C ATOM 1166 CG ASN A 76 12.906 7.426 -4.432 1.00 0.00 C ATOM 1167 OD1 ASN A 76 14.012 7.937 -4.385 1.00 0.00 O ATOM 1168 ND2 ASN A 76 11.768 8.108 -4.339 1.00 0.00 N ATOM 0 H ASN A 76 13.464 3.283 -5.012 1.00 0.00 H new ATOM 0 HA ASN A 76 14.853 5.819 -4.377 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.434 5.698 -5.634 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.896 5.577 -3.970 1.00 0.00 H new ATOM 0 HD21 ASN A 76 11.789 9.121 -4.221 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.875 7.618 -4.386 1.00 0.00 H new ATOM 1175 N PRO A 77 14.893 5.080 -1.980 1.00 0.00 N ATOM 1176 CA PRO A 77 14.911 4.708 -0.576 1.00 0.00 C ATOM 1177 C PRO A 77 13.907 5.539 0.225 1.00 0.00 C ATOM 1178 O PRO A 77 13.698 5.293 1.412 1.00 0.00 O ATOM 1179 CB PRO A 77 16.349 4.922 -0.130 1.00 0.00 C ATOM 1180 CG PRO A 77 16.973 5.842 -1.167 1.00 0.00 C ATOM 1181 CD PRO A 77 16.049 5.881 -2.373 1.00 0.00 C ATOM 0 HA PRO A 77 14.607 3.674 -0.411 1.00 0.00 H new ATOM 0 HB2 PRO A 77 16.388 5.369 0.863 1.00 0.00 H new ATOM 0 HB3 PRO A 77 16.886 3.975 -0.074 1.00 0.00 H new ATOM 0 HG2 PRO A 77 17.108 6.843 -0.757 1.00 0.00 H new ATOM 0 HG3 PRO A 77 17.960 5.479 -1.454 1.00 0.00 H new ATOM 0 HD2 PRO A 77 15.758 6.903 -2.616 1.00 0.00 H new ATOM 0 HD3 PRO A 77 16.534 5.468 -3.257 1.00 0.00 H new ATOM 1189 N ALA A 78 13.312 6.508 -0.456 1.00 0.00 N ATOM 1190 CA ALA A 78 12.335 7.377 0.177 1.00 0.00 C ATOM 1191 C ALA A 78 11.026 6.610 0.370 1.00 0.00 C ATOM 1192 O ALA A 78 10.305 6.838 1.341 1.00 0.00 O ATOM 1193 CB ALA A 78 12.151 8.639 -0.669 1.00 0.00 C ATOM 0 H ALA A 78 13.488 6.710 -1.440 1.00 0.00 H new ATOM 0 HA ALA A 78 12.682 7.691 1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.418 9.291 -0.195 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.103 9.163 -0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.801 8.363 -1.663 1.00 0.00 H new ATOM 1199 N THR A 79 10.757 5.714 -0.568 1.00 0.00 N ATOM 1200 CA THR A 79 9.547 4.911 -0.513 1.00 0.00 C ATOM 1201 C THR A 79 9.873 3.486 -0.061 1.00 0.00 C ATOM 1202 O THR A 79 9.005 2.614 -0.070 1.00 0.00 O ATOM 1203 CB THR A 79 8.874 4.975 -1.885 1.00 0.00 C ATOM 1204 OG1 THR A 79 7.759 4.096 -1.767 1.00 0.00 O ATOM 1205 CG2 THR A 79 9.730 4.345 -2.986 1.00 0.00 C ATOM 0 H THR A 79 11.357 5.526 -1.371 1.00 0.00 H new ATOM 0 HA THR A 79 8.847 5.300 0.226 1.00 0.00 H new ATOM 0 HB THR A 79 8.664 6.014 -2.138 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.001 4.580 -1.377 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.207 4.417 -3.939 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.681 4.872 -3.054 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.912 3.297 -2.750 1.00 0.00 H new ATOM 1213 N LYS A 80 11.126 3.293 0.321 1.00 0.00 N ATOM 1214 CA LYS A 80 11.578 1.989 0.776 1.00 0.00 C ATOM 1215 C LYS A 80 10.994 1.705 2.161 1.00 0.00 C ATOM 1216 O LYS A 80 10.988 0.562 2.614 1.00 0.00 O ATOM 1217 CB LYS A 80 13.105 1.901 0.721 1.00 0.00 C ATOM 1218 CG LYS A 80 13.740 2.711 1.852 1.00 0.00 C ATOM 1219 CD LYS A 80 14.290 1.791 2.944 1.00 0.00 C ATOM 1220 CE LYS A 80 13.239 1.533 4.025 1.00 0.00 C ATOM 1221 NZ LYS A 80 13.856 1.581 5.370 1.00 0.00 N ATOM 0 H LYS A 80 11.843 4.018 0.325 1.00 0.00 H new ATOM 0 HA LYS A 80 11.213 1.207 0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.416 0.859 0.796 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.460 2.271 -0.241 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.544 3.330 1.454 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.000 3.387 2.280 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.603 0.845 2.503 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.175 2.242 3.393 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.446 2.278 3.955 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.776 0.559 3.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.129 1.404 6.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.596 0.854 5.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.277 2.519 5.526 1.00 0.00 H new ATOM 1235 N LYS A 81 10.517 2.766 2.796 1.00 0.00 N ATOM 1236 CA LYS A 81 9.933 2.646 4.121 1.00 0.00 C ATOM 1237 C LYS A 81 8.408 2.686 4.005 1.00 0.00 C ATOM 1238 O LYS A 81 7.708 2.758 5.015 1.00 0.00 O ATOM 1239 CB LYS A 81 10.508 3.710 5.058 1.00 0.00 C ATOM 1240 CG LYS A 81 10.273 5.116 4.502 1.00 0.00 C ATOM 1241 CD LYS A 81 11.600 5.831 4.239 1.00 0.00 C ATOM 1242 CE LYS A 81 11.371 7.303 3.891 1.00 0.00 C ATOM 1243 NZ LYS A 81 11.494 8.148 5.100 1.00 0.00 N ATOM 0 H LYS A 81 10.523 3.713 2.417 1.00 0.00 H new ATOM 0 HA LYS A 81 10.194 1.687 4.569 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.046 3.622 6.041 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.577 3.542 5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.700 5.054 3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.677 5.695 5.208 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.238 5.757 5.120 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.127 5.338 3.422 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.096 7.622 3.142 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.382 7.429 3.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.336 9.144 4.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.786 7.854 5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 12.447 8.041 5.503 1.00 0.00 H new ATOM 1257 N ALA A 82 7.938 2.639 2.768 1.00 0.00 N ATOM 1258 CA ALA A 82 6.508 2.670 2.509 1.00 0.00 C ATOM 1259 C ALA A 82 6.000 1.240 2.313 1.00 0.00 C ATOM 1260 O ALA A 82 6.530 0.495 1.490 1.00 0.00 O ATOM 1261 CB ALA A 82 6.228 3.559 1.295 1.00 0.00 C ATOM 0 H ALA A 82 8.521 2.580 1.933 1.00 0.00 H new ATOM 0 HA ALA A 82 5.973 3.098 3.357 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.156 3.582 1.101 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.583 4.570 1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.746 3.159 0.424 1.00 0.00 H new ATOM 1267 N ALA A 83 4.977 0.899 3.085 1.00 0.00 N ATOM 1268 CA ALA A 83 4.392 -0.428 3.007 1.00 0.00 C ATOM 1269 C ALA A 83 3.282 -0.430 1.953 1.00 0.00 C ATOM 1270 O ALA A 83 2.333 0.349 2.045 1.00 0.00 O ATOM 1271 CB ALA A 83 3.884 -0.844 4.389 1.00 0.00 C ATOM 0 H ALA A 83 4.539 1.519 3.767 1.00 0.00 H new ATOM 0 HA ALA A 83 5.140 -1.160 2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.445 -1.840 4.331 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.715 -0.855 5.094 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.130 -0.134 4.728 1.00 0.00 H new ATOM 1277 N PHE A 84 3.437 -1.313 0.978 1.00 0.00 N ATOM 1278 CA PHE A 84 2.459 -1.426 -0.091 1.00 0.00 C ATOM 1279 C PHE A 84 1.488 -2.579 0.173 1.00 0.00 C ATOM 1280 O PHE A 84 1.861 -3.585 0.774 1.00 0.00 O ATOM 1281 CB PHE A 84 3.235 -1.713 -1.378 1.00 0.00 C ATOM 1282 CG PHE A 84 4.755 -1.683 -1.208 1.00 0.00 C ATOM 1283 CD1 PHE A 84 5.393 -0.498 -1.011 1.00 0.00 C ATOM 1284 CD2 PHE A 84 5.468 -2.840 -1.253 1.00 0.00 C ATOM 1285 CE1 PHE A 84 6.804 -0.470 -0.853 1.00 0.00 C ATOM 1286 CE2 PHE A 84 6.879 -2.812 -1.095 1.00 0.00 C ATOM 1287 CZ PHE A 84 7.518 -1.627 -0.898 1.00 0.00 C ATOM 0 H PHE A 84 4.225 -1.957 0.906 1.00 0.00 H new ATOM 0 HA PHE A 84 1.878 -0.507 -0.162 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.941 -2.692 -1.756 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.950 -0.981 -2.133 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.827 0.421 -0.975 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.961 -3.781 -1.409 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.311 0.471 -0.697 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.445 -3.731 -1.131 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.591 -1.605 -0.777 1.00 0.00 H new ATOM 1297 N ILE A 85 0.261 -2.394 -0.289 1.00 0.00 N ATOM 1298 CA ILE A 85 -0.767 -3.406 -0.110 1.00 0.00 C ATOM 1299 C ILE A 85 -1.229 -3.905 -1.480 1.00 0.00 C ATOM 1300 O ILE A 85 -1.437 -3.111 -2.397 1.00 0.00 O ATOM 1301 CB ILE A 85 -1.902 -2.868 0.763 1.00 0.00 C ATOM 1302 CG1 ILE A 85 -1.781 -3.382 2.199 1.00 0.00 C ATOM 1303 CG2 ILE A 85 -3.266 -3.194 0.152 1.00 0.00 C ATOM 1304 CD1 ILE A 85 -1.272 -2.283 3.134 1.00 0.00 C ATOM 0 H ILE A 85 -0.045 -1.558 -0.787 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.365 -4.267 0.425 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.817 -1.782 0.801 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.752 -3.738 2.545 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.101 -4.233 2.228 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.055 -2.800 0.793 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.340 -2.740 -0.836 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.376 -4.275 0.063 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.195 -2.675 4.148 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.291 -1.947 2.800 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.967 -1.444 3.121 1.00 0.00 H new ATOM 1316 N ILE A 86 -1.376 -5.218 -1.578 1.00 0.00 N ATOM 1317 CA ILE A 86 -1.810 -5.832 -2.821 1.00 0.00 C ATOM 1318 C ILE A 86 -2.932 -6.830 -2.527 1.00 0.00 C ATOM 1319 O ILE A 86 -2.699 -7.867 -1.908 1.00 0.00 O ATOM 1320 CB ILE A 86 -0.619 -6.447 -3.559 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -1.088 -7.394 -4.665 1.00 0.00 C ATOM 1322 CG2 ILE A 86 0.336 -7.135 -2.582 1.00 0.00 C ATOM 1323 CD1 ILE A 86 0.101 -8.075 -5.345 1.00 0.00 C ATOM 0 H ILE A 86 -1.202 -5.874 -0.816 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.220 -5.080 -3.495 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.063 -5.642 -4.039 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.752 -8.149 -4.245 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.665 -6.838 -5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.173 -7.564 -3.133 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.709 -6.405 -1.864 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.193 -7.927 -2.053 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.261 -8.743 -6.127 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.751 -7.318 -5.785 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.662 -8.650 -4.608 1.00 0.00 H new ATOM 1335 N LEU A 87 -4.126 -6.482 -2.986 1.00 0.00 N ATOM 1336 CA LEU A 87 -5.285 -7.334 -2.780 1.00 0.00 C ATOM 1337 C LEU A 87 -5.494 -8.210 -4.017 1.00 0.00 C ATOM 1338 O LEU A 87 -5.531 -7.707 -5.139 1.00 0.00 O ATOM 1339 CB LEU A 87 -6.507 -6.495 -2.406 1.00 0.00 C ATOM 1340 CG LEU A 87 -7.610 -6.409 -3.462 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -7.094 -5.751 -4.743 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.221 -7.786 -3.732 1.00 0.00 C ATOM 0 H LEU A 87 -4.315 -5.621 -3.500 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.120 -8.006 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.938 -6.904 -1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.172 -5.484 -2.176 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.406 -5.774 -3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.899 -5.703 -5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.746 -4.743 -4.519 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.269 -6.338 -5.147 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.002 -7.696 -4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.446 -8.464 -4.091 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.650 -8.181 -2.811 1.00 0.00 H new ATOM 1354 N THR A 88 -5.626 -9.505 -3.771 1.00 0.00 N ATOM 1355 CA THR A 88 -5.832 -10.454 -4.851 1.00 0.00 C ATOM 1356 C THR A 88 -6.619 -11.669 -4.352 1.00 0.00 C ATOM 1357 O THR A 88 -6.708 -11.902 -3.148 1.00 0.00 O ATOM 1358 CB THR A 88 -4.463 -10.814 -5.432 1.00 0.00 C ATOM 1359 OG1 THR A 88 -4.737 -11.886 -6.330 1.00 0.00 O ATOM 1360 CG2 THR A 88 -3.529 -11.433 -4.389 1.00 0.00 C ATOM 0 H THR A 88 -5.594 -9.919 -2.839 1.00 0.00 H new ATOM 0 HA THR A 88 -6.436 -10.020 -5.648 1.00 0.00 H new ATOM 0 HB THR A 88 -4.000 -9.920 -5.850 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.198 -11.779 -7.141 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.572 -11.670 -4.853 1.00 0.00 H new ATOM 0 HG22 THR A 88 -3.373 -10.725 -3.575 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.977 -12.345 -3.995 1.00 0.00 H new ATOM 1368 N ALA A 89 -7.168 -12.409 -5.303 1.00 0.00 N ATOM 1369 CA ALA A 89 -7.944 -13.593 -4.975 1.00 0.00 C ATOM 1370 C ALA A 89 -6.992 -14.748 -4.654 1.00 0.00 C ATOM 1371 O ALA A 89 -7.258 -15.893 -5.016 1.00 0.00 O ATOM 1372 CB ALA A 89 -8.889 -13.921 -6.132 1.00 0.00 C ATOM 0 H ALA A 89 -7.091 -12.212 -6.301 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.559 -13.417 -4.092 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.471 -14.809 -5.886 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.563 -13.081 -6.301 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.308 -14.107 -7.035 1.00 0.00 H new ATOM 1378 N GLN A 90 -5.906 -14.407 -3.977 1.00 0.00 N ATOM 1379 CA GLN A 90 -4.914 -15.401 -3.603 1.00 0.00 C ATOM 1380 C GLN A 90 -4.665 -15.360 -2.094 1.00 0.00 C ATOM 1381 O GLN A 90 -4.862 -16.359 -1.402 1.00 0.00 O ATOM 1382 CB GLN A 90 -3.612 -15.195 -4.378 1.00 0.00 C ATOM 1383 CG GLN A 90 -3.737 -15.722 -5.810 1.00 0.00 C ATOM 1384 CD GLN A 90 -3.797 -14.570 -6.815 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -4.822 -14.282 -7.409 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -2.642 -13.929 -6.971 1.00 0.00 N ATOM 0 H GLN A 90 -5.691 -13.456 -3.677 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.301 -16.387 -3.862 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.360 -14.135 -4.398 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.796 -15.707 -3.868 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -2.888 -16.366 -6.040 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.635 -16.334 -5.899 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.821 -14.222 -6.442 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -2.578 -13.145 -7.620 1.00 0.00 H new ATOM 1395 N GLY A 91 -4.237 -14.196 -1.628 1.00 0.00 N ATOM 1396 CA GLY A 91 -3.959 -14.013 -0.214 1.00 0.00 C ATOM 1397 C GLY A 91 -3.100 -15.157 0.330 1.00 0.00 C ATOM 1398 O GLY A 91 -3.579 -15.983 1.104 1.00 0.00 O ATOM 0 H GLY A 91 -4.076 -13.370 -2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.446 -13.064 -0.061 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.896 -13.962 0.341 1.00 0.00 H new ATOM 1402 N ASP A 92 -1.847 -15.169 -0.099 1.00 0.00 N ATOM 1403 CA ASP A 92 -0.917 -16.197 0.335 1.00 0.00 C ATOM 1404 C ASP A 92 0.314 -15.536 0.957 1.00 0.00 C ATOM 1405 O ASP A 92 1.044 -14.812 0.281 1.00 0.00 O ATOM 1406 CB ASP A 92 -0.448 -17.049 -0.847 1.00 0.00 C ATOM 1407 CG ASP A 92 -0.855 -18.523 -0.783 1.00 0.00 C ATOM 1408 OD1 ASP A 92 -1.709 -18.839 0.074 1.00 0.00 O ATOM 1409 OD2 ASP A 92 -0.302 -19.300 -1.590 1.00 0.00 O ATOM 0 H ASP A 92 -1.454 -14.483 -0.743 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.430 -16.832 1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.844 -16.618 -1.766 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.639 -16.990 -0.910 1.00 0.00 H new ATOM 1414 N ARG A 93 0.507 -15.808 2.240 1.00 0.00 N ATOM 1415 CA ARG A 93 1.637 -15.248 2.962 1.00 0.00 C ATOM 1416 C ARG A 93 2.948 -15.613 2.261 1.00 0.00 C ATOM 1417 O ARG A 93 3.950 -14.915 2.410 1.00 0.00 O ATOM 1418 CB ARG A 93 1.678 -15.760 4.403 1.00 0.00 C ATOM 1419 CG ARG A 93 1.886 -17.276 4.440 1.00 0.00 C ATOM 1420 CD ARG A 93 1.614 -17.832 5.840 1.00 0.00 C ATOM 1421 NE ARG A 93 2.733 -18.702 6.265 1.00 0.00 N ATOM 1422 CZ ARG A 93 3.942 -18.250 6.626 1.00 0.00 C ATOM 1423 NH1 ARG A 93 4.194 -16.934 6.616 1.00 0.00 N ATOM 1424 NH2 ARG A 93 4.897 -19.113 6.997 1.00 0.00 N ATOM 0 H ARG A 93 -0.100 -16.409 2.798 1.00 0.00 H new ATOM 0 HA ARG A 93 1.518 -14.165 2.976 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.483 -15.265 4.946 1.00 0.00 H new ATOM 0 HB3 ARG A 93 0.748 -15.504 4.910 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.224 -17.755 3.719 1.00 0.00 H new ATOM 0 HG3 ARG A 93 2.907 -17.514 4.142 1.00 0.00 H new ATOM 0 HD2 ARG A 93 1.490 -17.013 6.548 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.682 -18.397 5.841 1.00 0.00 H new ATOM 0 HE ARG A 93 2.574 -19.709 6.284 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.466 -16.277 6.334 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.114 -16.589 6.891 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.704 -20.115 7.005 1.00 0.00 H new ATOM 0 HH22 ARG A 93 5.817 -18.769 7.272 1.00 0.00 H new ATOM 1438 N ALA A 94 2.897 -16.705 1.513 1.00 0.00 N ATOM 1439 CA ALA A 94 4.068 -17.170 0.788 1.00 0.00 C ATOM 1440 C ALA A 94 4.508 -16.095 -0.207 1.00 0.00 C ATOM 1441 O ALA A 94 5.685 -15.744 -0.268 1.00 0.00 O ATOM 1442 CB ALA A 94 3.750 -18.501 0.105 1.00 0.00 C ATOM 0 H ALA A 94 2.064 -17.281 1.393 1.00 0.00 H new ATOM 0 HA ALA A 94 4.898 -17.344 1.472 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.628 -18.850 -0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.472 -19.239 0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.923 -18.364 -0.591 1.00 0.00 H new ATOM 1448 N LEU A 95 3.538 -15.600 -0.961 1.00 0.00 N ATOM 1449 CA LEU A 95 3.810 -14.570 -1.951 1.00 0.00 C ATOM 1450 C LEU A 95 4.196 -13.273 -1.238 1.00 0.00 C ATOM 1451 O LEU A 95 5.045 -12.524 -1.720 1.00 0.00 O ATOM 1452 CB LEU A 95 2.624 -14.419 -2.905 1.00 0.00 C ATOM 1453 CG LEU A 95 2.459 -15.522 -3.952 1.00 0.00 C ATOM 1454 CD1 LEU A 95 1.305 -16.457 -3.586 1.00 0.00 C ATOM 1455 CD2 LEU A 95 2.295 -14.929 -5.353 1.00 0.00 C ATOM 0 H LEU A 95 2.562 -15.892 -0.907 1.00 0.00 H new ATOM 0 HA LEU A 95 4.657 -14.854 -2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.711 -14.369 -2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.720 -13.465 -3.424 1.00 0.00 H new ATOM 0 HG LEU A 95 3.369 -16.122 -3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 95 1.209 -17.232 -4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.504 -16.920 -2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.378 -15.886 -3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.180 -15.735 -6.078 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.412 -14.290 -5.377 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.176 -14.339 -5.604 1.00 0.00 H new ATOM 1467 N VAL A 96 3.554 -13.046 -0.101 1.00 0.00 N ATOM 1468 CA VAL A 96 3.820 -11.852 0.683 1.00 0.00 C ATOM 1469 C VAL A 96 5.282 -11.857 1.133 1.00 0.00 C ATOM 1470 O VAL A 96 5.978 -10.852 1.005 1.00 0.00 O ATOM 1471 CB VAL A 96 2.835 -11.762 1.850 1.00 0.00 C ATOM 1472 CG1 VAL A 96 3.062 -10.486 2.662 1.00 0.00 C ATOM 1473 CG2 VAL A 96 1.390 -11.850 1.357 1.00 0.00 C ATOM 0 H VAL A 96 2.850 -13.669 0.296 1.00 0.00 H new ATOM 0 HA VAL A 96 3.670 -10.957 0.079 1.00 0.00 H new ATOM 0 HB VAL A 96 3.016 -12.613 2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.349 -10.447 3.485 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.077 -10.484 3.060 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.923 -9.616 2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.711 -11.783 2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.190 -11.030 0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.238 -12.800 0.844 1.00 0.00 H new ATOM 1483 N GLN A 97 5.705 -13.001 1.651 1.00 0.00 N ATOM 1484 CA GLN A 97 7.071 -13.151 2.121 1.00 0.00 C ATOM 1485 C GLN A 97 8.036 -13.210 0.935 1.00 0.00 C ATOM 1486 O GLN A 97 9.189 -12.796 1.047 1.00 0.00 O ATOM 1487 CB GLN A 97 7.214 -14.391 3.006 1.00 0.00 C ATOM 1488 CG GLN A 97 8.422 -14.263 3.938 1.00 0.00 C ATOM 1489 CD GLN A 97 8.225 -15.091 5.208 1.00 0.00 C ATOM 1490 OE1 GLN A 97 8.678 -16.218 5.322 1.00 0.00 O ATOM 1491 NE2 GLN A 97 7.523 -14.473 6.154 1.00 0.00 N ATOM 0 H GLN A 97 5.125 -13.833 1.755 1.00 0.00 H new ATOM 0 HA GLN A 97 7.323 -12.281 2.728 1.00 0.00 H new ATOM 0 HB2 GLN A 97 6.308 -14.528 3.596 1.00 0.00 H new ATOM 0 HB3 GLN A 97 7.324 -15.277 2.381 1.00 0.00 H new ATOM 0 HG2 GLN A 97 9.322 -14.594 3.420 1.00 0.00 H new ATOM 0 HG3 GLN A 97 8.573 -13.216 4.202 1.00 0.00 H new ATOM 0 HE21 GLN A 97 7.172 -13.529 5.994 1.00 0.00 H new ATOM 0 HE22 GLN A 97 7.335 -14.944 7.039 1.00 0.00 H new ATOM 1500 N LYS A 98 7.530 -13.728 -0.174 1.00 0.00 N ATOM 1501 CA LYS A 98 8.332 -13.848 -1.380 1.00 0.00 C ATOM 1502 C LYS A 98 8.778 -12.455 -1.830 1.00 0.00 C ATOM 1503 O LYS A 98 9.972 -12.202 -1.987 1.00 0.00 O ATOM 1504 CB LYS A 98 7.573 -14.628 -2.455 1.00 0.00 C ATOM 1505 CG LYS A 98 8.534 -15.209 -3.494 1.00 0.00 C ATOM 1506 CD LYS A 98 8.882 -16.662 -3.167 1.00 0.00 C ATOM 1507 CE LYS A 98 9.082 -17.479 -4.444 1.00 0.00 C ATOM 1508 NZ LYS A 98 10.162 -18.473 -4.260 1.00 0.00 N ATOM 0 H LYS A 98 6.573 -14.070 -0.263 1.00 0.00 H new ATOM 0 HA LYS A 98 9.235 -14.425 -1.181 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.004 -15.433 -1.991 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.855 -13.972 -2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.081 -15.154 -4.484 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.445 -14.612 -3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.789 -16.695 -2.564 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.085 -17.105 -2.569 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.154 -17.986 -4.707 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.328 -16.815 -5.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.284 -19.019 -5.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.050 -17.982 -4.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.912 -19.117 -3.483 1.00 0.00 H new ATOM 1522 N ALA A 99 7.794 -11.588 -2.025 1.00 0.00 N ATOM 1523 CA ALA A 99 8.071 -10.227 -2.454 1.00 0.00 C ATOM 1524 C ALA A 99 8.645 -9.433 -1.279 1.00 0.00 C ATOM 1525 O ALA A 99 9.662 -8.758 -1.420 1.00 0.00 O ATOM 1526 CB ALA A 99 6.793 -9.600 -3.013 1.00 0.00 C ATOM 0 H ALA A 99 6.805 -11.801 -1.894 1.00 0.00 H new ATOM 0 HA ALA A 99 8.815 -10.219 -3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.999 -8.579 -3.335 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.443 -10.185 -3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.025 -9.588 -2.240 1.00 0.00 H new ATOM 1532 N ALA A 100 7.967 -9.542 -0.145 1.00 0.00 N ATOM 1533 CA ALA A 100 8.397 -8.841 1.054 1.00 0.00 C ATOM 1534 C ALA A 100 9.864 -9.174 1.334 1.00 0.00 C ATOM 1535 O ALA A 100 10.582 -8.373 1.929 1.00 0.00 O ATOM 1536 CB ALA A 100 7.480 -9.216 2.220 1.00 0.00 C ATOM 0 H ALA A 100 7.124 -10.105 -0.031 1.00 0.00 H new ATOM 0 HA ALA A 100 8.324 -7.762 0.917 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.802 -8.691 3.119 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.455 -8.933 1.982 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.530 -10.291 2.391 1.00 0.00 H new ATOM 1542 N ALA A 101 10.264 -10.357 0.892 1.00 0.00 N ATOM 1543 CA ALA A 101 11.632 -10.806 1.089 1.00 0.00 C ATOM 1544 C ALA A 101 12.446 -10.512 -0.173 1.00 0.00 C ATOM 1545 O ALA A 101 13.673 -10.438 -0.120 1.00 0.00 O ATOM 1546 CB ALA A 101 11.635 -12.292 1.453 1.00 0.00 C ATOM 0 H ALA A 101 9.665 -11.018 0.398 1.00 0.00 H new ATOM 0 HA ALA A 101 12.098 -10.268 1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.661 -12.628 1.601 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.068 -12.443 2.372 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.178 -12.865 0.646 1.00 0.00 H new ATOM 1552 N LEU A 102 11.731 -10.355 -1.277 1.00 0.00 N ATOM 1553 CA LEU A 102 12.372 -10.071 -2.550 1.00 0.00 C ATOM 1554 C LEU A 102 13.038 -8.696 -2.485 1.00 0.00 C ATOM 1555 O LEU A 102 13.959 -8.411 -3.250 1.00 0.00 O ATOM 1556 CB LEU A 102 11.372 -10.218 -3.697 1.00 0.00 C ATOM 1557 CG LEU A 102 11.953 -10.121 -5.110 1.00 0.00 C ATOM 1558 CD1 LEU A 102 12.419 -11.490 -5.607 1.00 0.00 C ATOM 1559 CD2 LEU A 102 10.953 -9.471 -6.070 1.00 0.00 C ATOM 0 H LEU A 102 10.714 -10.419 -1.317 1.00 0.00 H new ATOM 0 HA LEU A 102 13.160 -10.797 -2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.873 -11.182 -3.596 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.607 -9.449 -3.587 1.00 0.00 H new ATOM 0 HG LEU A 102 12.831 -9.477 -5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 102 12.827 -11.392 -6.613 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.189 -11.877 -4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.574 -12.178 -5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.390 -9.414 -7.067 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.042 -10.069 -6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 102 10.714 -8.467 -5.721 1.00 0.00 H new ATOM 1571 N GLY A 103 12.546 -7.879 -1.566 1.00 0.00 N ATOM 1572 CA GLY A 103 13.082 -6.539 -1.393 1.00 0.00 C ATOM 1573 C GLY A 103 12.002 -5.577 -0.893 1.00 0.00 C ATOM 1574 O GLY A 103 12.312 -4.534 -0.319 1.00 0.00 O ATOM 0 H GLY A 103 11.782 -8.118 -0.933 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.909 -6.563 -0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.484 -6.179 -2.340 1.00 0.00 H new ATOM 1578 N ALA A 104 10.757 -5.962 -1.129 1.00 0.00 N ATOM 1579 CA ALA A 104 9.630 -5.147 -0.711 1.00 0.00 C ATOM 1580 C ALA A 104 9.820 -4.732 0.750 1.00 0.00 C ATOM 1581 O ALA A 104 10.476 -5.434 1.517 1.00 0.00 O ATOM 1582 CB ALA A 104 8.328 -5.921 -0.932 1.00 0.00 C ATOM 0 H ALA A 104 10.504 -6.828 -1.605 1.00 0.00 H new ATOM 0 HA ALA A 104 9.573 -4.237 -1.308 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.483 -5.309 -0.618 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.225 -6.166 -1.989 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.347 -6.840 -0.347 1.00 0.00 H new ATOM 1588 N ASN A 105 9.232 -3.594 1.090 1.00 0.00 N ATOM 1589 CA ASN A 105 9.329 -3.078 2.445 1.00 0.00 C ATOM 1590 C ASN A 105 8.289 -3.775 3.326 1.00 0.00 C ATOM 1591 O ASN A 105 8.618 -4.281 4.398 1.00 0.00 O ATOM 1592 CB ASN A 105 9.048 -1.575 2.482 1.00 0.00 C ATOM 1593 CG ASN A 105 9.256 -1.013 3.890 1.00 0.00 C ATOM 1594 OD1 ASN A 105 10.367 -0.889 4.380 1.00 0.00 O ATOM 1595 ND2 ASN A 105 8.128 -0.684 4.513 1.00 0.00 N ATOM 0 H ASN A 105 8.687 -3.015 0.451 1.00 0.00 H new ATOM 0 HA ASN A 105 10.340 -3.265 2.807 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.705 -1.061 1.781 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.025 -1.385 2.158 1.00 0.00 H new ATOM 0 HD21 ASN A 105 8.160 -0.302 5.458 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.231 -0.813 4.045 1.00 0.00 H new ATOM 1602 N ASN A 106 7.056 -3.779 2.841 1.00 0.00 N ATOM 1603 CA ASN A 106 5.968 -4.405 3.572 1.00 0.00 C ATOM 1604 C ASN A 106 4.809 -4.683 2.612 1.00 0.00 C ATOM 1605 O ASN A 106 4.340 -3.779 1.921 1.00 0.00 O ATOM 1606 CB ASN A 106 5.451 -3.489 4.683 1.00 0.00 C ATOM 1607 CG ASN A 106 6.095 -3.840 6.026 1.00 0.00 C ATOM 1608 OD1 ASN A 106 7.075 -3.249 6.448 1.00 0.00 O ATOM 1609 ND2 ASN A 106 5.490 -4.832 6.673 1.00 0.00 N ATOM 0 H ASN A 106 6.787 -3.359 1.951 1.00 0.00 H new ATOM 0 HA ASN A 106 6.345 -5.328 4.012 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.666 -2.450 4.433 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.368 -3.580 4.760 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.843 -5.140 7.579 1.00 0.00 H new ATOM 0 HD22 ASN A 106 4.673 -5.285 6.263 1.00 0.00 H new ATOM 1616 N VAL A 107 4.380 -5.936 2.600 1.00 0.00 N ATOM 1617 CA VAL A 107 3.284 -6.345 1.736 1.00 0.00 C ATOM 1618 C VAL A 107 2.107 -6.805 2.598 1.00 0.00 C ATOM 1619 O VAL A 107 2.201 -7.811 3.299 1.00 0.00 O ATOM 1620 CB VAL A 107 3.764 -7.417 0.756 1.00 0.00 C ATOM 1621 CG1 VAL A 107 2.891 -7.439 -0.501 1.00 0.00 C ATOM 1622 CG2 VAL A 107 5.237 -7.212 0.396 1.00 0.00 C ATOM 0 H VAL A 107 4.771 -6.682 3.175 1.00 0.00 H new ATOM 0 HA VAL A 107 2.937 -5.506 1.134 1.00 0.00 H new ATOM 0 HB VAL A 107 3.671 -8.386 1.247 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.253 -8.209 -1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.859 -7.655 -0.224 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.938 -6.468 -0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.552 -7.988 -0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.366 -6.233 -0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.844 -7.269 1.300 1.00 0.00 H new ATOM 1632 N LEU A 108 1.024 -6.047 2.516 1.00 0.00 N ATOM 1633 CA LEU A 108 -0.172 -6.364 3.279 1.00 0.00 C ATOM 1634 C LEU A 108 -1.331 -6.627 2.315 1.00 0.00 C ATOM 1635 O LEU A 108 -1.362 -6.084 1.212 1.00 0.00 O ATOM 1636 CB LEU A 108 -0.461 -5.265 4.303 1.00 0.00 C ATOM 1637 CG LEU A 108 0.351 -5.327 5.599 1.00 0.00 C ATOM 1638 CD1 LEU A 108 0.604 -6.776 6.019 1.00 0.00 C ATOM 1639 CD2 LEU A 108 1.652 -4.532 5.469 1.00 0.00 C ATOM 0 H LEU A 108 0.949 -5.214 1.933 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.025 -7.276 3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.282 -4.299 3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.520 -5.303 4.559 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.234 -4.860 6.391 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.183 -6.791 6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.349 -7.280 6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.159 -7.291 5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.210 -4.592 6.403 1.00 0.00 H new ATOM 0 HD22 LEU A 108 2.253 -4.947 4.660 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.421 -3.489 5.251 1.00 0.00 H new ATOM 1651 N ALA A 109 -2.258 -7.459 2.768 1.00 0.00 N ATOM 1652 CA ALA A 109 -3.416 -7.801 1.961 1.00 0.00 C ATOM 1653 C ALA A 109 -4.607 -6.944 2.397 1.00 0.00 C ATOM 1654 O ALA A 109 -4.652 -6.469 3.530 1.00 0.00 O ATOM 1655 CB ALA A 109 -3.700 -9.300 2.082 1.00 0.00 C ATOM 0 H ALA A 109 -2.230 -7.906 3.684 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.226 -7.590 0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -4.569 -9.556 1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.835 -9.864 1.732 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.898 -9.550 3.124 1.00 0.00 H new ATOM 1661 N LYS A 110 -5.542 -6.775 1.474 1.00 0.00 N ATOM 1662 CA LYS A 110 -6.729 -5.984 1.748 1.00 0.00 C ATOM 1663 C LYS A 110 -7.954 -6.900 1.768 1.00 0.00 C ATOM 1664 O LYS A 110 -8.720 -6.939 0.807 1.00 0.00 O ATOM 1665 CB LYS A 110 -6.844 -4.826 0.756 1.00 0.00 C ATOM 1666 CG LYS A 110 -8.265 -4.258 0.737 1.00 0.00 C ATOM 1667 CD LYS A 110 -8.958 -4.560 -0.593 1.00 0.00 C ATOM 1668 CE LYS A 110 -8.933 -3.338 -1.515 1.00 0.00 C ATOM 1669 NZ LYS A 110 -9.373 -3.708 -2.878 1.00 0.00 N ATOM 0 H LYS A 110 -5.501 -7.172 0.536 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.659 -5.523 2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.138 -4.040 1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -6.573 -5.169 -0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.842 -4.685 1.557 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.232 -3.180 0.898 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.464 -5.399 -1.082 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -9.990 -4.861 -0.410 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.583 -2.560 -1.115 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.926 -2.923 -1.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -10.056 -3.005 -3.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -8.550 -3.735 -3.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -9.823 -4.645 -2.855 1.00 0.00 H new ATOM 1683 N PRO A 111 -8.104 -7.637 2.902 1.00 0.00 N ATOM 1684 CA PRO A 111 -9.222 -8.551 3.059 1.00 0.00 C ATOM 1685 C PRO A 111 -10.518 -7.788 3.341 1.00 0.00 C ATOM 1686 O PRO A 111 -10.485 -6.648 3.801 1.00 0.00 O ATOM 1687 CB PRO A 111 -8.818 -9.475 4.195 1.00 0.00 C ATOM 1688 CG PRO A 111 -7.702 -8.760 4.938 1.00 0.00 C ATOM 1689 CD PRO A 111 -7.216 -7.617 4.061 1.00 0.00 C ATOM 0 HA PRO A 111 -9.429 -9.122 2.154 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -9.662 -9.674 4.856 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -8.478 -10.438 3.813 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -8.062 -8.381 5.894 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -6.885 -9.449 5.155 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.271 -6.663 4.586 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -6.176 -7.758 3.766 1.00 0.00 H new ATOM 1697 N PHE A 112 -11.630 -8.449 3.053 1.00 0.00 N ATOM 1698 CA PHE A 112 -12.936 -7.848 3.270 1.00 0.00 C ATOM 1699 C PHE A 112 -13.279 -7.805 4.760 1.00 0.00 C ATOM 1700 O PHE A 112 -14.108 -7.003 5.187 1.00 0.00 O ATOM 1701 CB PHE A 112 -13.959 -8.727 2.547 1.00 0.00 C ATOM 1702 CG PHE A 112 -15.046 -7.940 1.812 1.00 0.00 C ATOM 1703 CD1 PHE A 112 -15.683 -6.914 2.438 1.00 0.00 C ATOM 1704 CD2 PHE A 112 -15.375 -8.267 0.534 1.00 0.00 C ATOM 1705 CE1 PHE A 112 -16.693 -6.185 1.756 1.00 0.00 C ATOM 1706 CE2 PHE A 112 -16.383 -7.537 -0.148 1.00 0.00 C ATOM 1707 CZ PHE A 112 -17.022 -6.511 0.477 1.00 0.00 C ATOM 0 H PHE A 112 -11.654 -9.395 2.671 1.00 0.00 H new ATOM 0 HA PHE A 112 -12.942 -6.825 2.894 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -13.436 -9.361 1.831 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -14.432 -9.389 3.273 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -15.421 -6.654 3.453 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -14.869 -9.082 0.038 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -17.200 -5.371 2.253 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -16.643 -7.796 -1.164 1.00 0.00 H new ATOM 0 HZ PHE A 112 -17.790 -5.956 -0.042 1.00 0.00 H new ATOM 1717 N THR A 113 -12.625 -8.679 5.510 1.00 0.00 N ATOM 1718 CA THR A 113 -12.850 -8.752 6.945 1.00 0.00 C ATOM 1719 C THR A 113 -11.970 -7.735 7.675 1.00 0.00 C ATOM 1720 O THR A 113 -10.812 -7.538 7.313 1.00 0.00 O ATOM 1721 CB THR A 113 -12.607 -10.195 7.389 1.00 0.00 C ATOM 1722 OG1 THR A 113 -12.978 -10.975 6.255 1.00 0.00 O ATOM 1723 CG2 THR A 113 -13.578 -10.642 8.483 1.00 0.00 C ATOM 0 H THR A 113 -11.939 -9.343 5.152 1.00 0.00 H new ATOM 0 HA THR A 113 -13.877 -8.488 7.198 1.00 0.00 H new ATOM 0 HB THR A 113 -11.583 -10.296 7.749 1.00 0.00 H new ATOM 0 HG1 THR A 113 -12.850 -11.926 6.456 1.00 0.00 H new ATOM 0 HG21 THR A 113 -13.362 -11.673 8.762 1.00 0.00 H new ATOM 0 HG22 THR A 113 -13.464 -9.999 9.356 1.00 0.00 H new ATOM 0 HG23 THR A 113 -14.601 -10.573 8.112 1.00 0.00 H new ATOM 1731 N ILE A 114 -12.555 -7.116 8.690 1.00 0.00 N ATOM 1732 CA ILE A 114 -11.840 -6.124 9.475 1.00 0.00 C ATOM 1733 C ILE A 114 -10.794 -6.826 10.343 1.00 0.00 C ATOM 1734 O ILE A 114 -9.777 -6.231 10.700 1.00 0.00 O ATOM 1735 CB ILE A 114 -12.820 -5.261 10.270 1.00 0.00 C ATOM 1736 CG1 ILE A 114 -13.874 -6.126 10.966 1.00 0.00 C ATOM 1737 CG2 ILE A 114 -13.455 -4.190 9.380 1.00 0.00 C ATOM 1738 CD1 ILE A 114 -14.354 -5.469 12.261 1.00 0.00 C ATOM 0 H ILE A 114 -13.517 -7.282 8.987 1.00 0.00 H new ATOM 0 HA ILE A 114 -11.304 -5.435 8.822 1.00 0.00 H new ATOM 0 HB ILE A 114 -12.262 -4.743 11.050 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -14.721 -6.282 10.298 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -13.456 -7.108 11.186 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -14.148 -3.590 9.970 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -12.675 -3.547 8.972 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -13.995 -4.669 8.563 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -15.102 -6.104 12.736 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -13.509 -5.337 12.937 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -14.793 -4.497 12.035 1.00 0.00 H new ATOM 1750 N GLU A 115 -11.078 -8.081 10.659 1.00 0.00 N ATOM 1751 CA GLU A 115 -10.175 -8.870 11.479 1.00 0.00 C ATOM 1752 C GLU A 115 -8.868 -9.134 10.726 1.00 0.00 C ATOM 1753 O GLU A 115 -7.783 -8.953 11.276 1.00 0.00 O ATOM 1754 CB GLU A 115 -10.832 -10.181 11.914 1.00 0.00 C ATOM 1755 CG GLU A 115 -10.720 -10.374 13.428 1.00 0.00 C ATOM 1756 CD GLU A 115 -10.528 -11.851 13.779 1.00 0.00 C ATOM 1757 OE1 GLU A 115 -9.613 -12.462 13.185 1.00 0.00 O ATOM 1758 OE2 GLU A 115 -11.299 -12.336 14.634 1.00 0.00 O ATOM 0 H GLU A 115 -11.922 -8.571 10.361 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.944 -8.302 12.380 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -11.882 -10.181 11.620 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -10.358 -11.018 11.401 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.881 -9.793 13.811 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -11.619 -9.995 13.914 1.00 0.00 H new ATOM 1765 N LYS A 116 -9.018 -9.559 9.480 1.00 0.00 N ATOM 1766 CA LYS A 116 -7.864 -9.850 8.646 1.00 0.00 C ATOM 1767 C LYS A 116 -7.174 -8.540 8.262 1.00 0.00 C ATOM 1768 O LYS A 116 -5.948 -8.444 8.304 1.00 0.00 O ATOM 1769 CB LYS A 116 -8.273 -10.705 7.445 1.00 0.00 C ATOM 1770 CG LYS A 116 -7.106 -11.569 6.964 1.00 0.00 C ATOM 1771 CD LYS A 116 -7.521 -13.039 6.859 1.00 0.00 C ATOM 1772 CE LYS A 116 -7.458 -13.725 8.225 1.00 0.00 C ATOM 1773 NZ LYS A 116 -8.642 -14.593 8.423 1.00 0.00 N ATOM 0 H LYS A 116 -9.920 -9.709 9.028 1.00 0.00 H new ATOM 0 HA LYS A 116 -7.136 -10.444 9.198 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -9.114 -11.343 7.718 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -8.612 -10.061 6.634 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -6.762 -11.214 5.993 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -6.268 -11.472 7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -8.533 -13.107 6.460 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -6.866 -13.556 6.158 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -6.547 -14.319 8.299 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -7.414 -12.974 9.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -8.584 -15.051 9.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -9.507 -14.017 8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -8.667 -15.320 7.680 1.00 0.00 H new ATOM 1787 N MET A 117 -7.990 -7.562 7.896 1.00 0.00 N ATOM 1788 CA MET A 117 -7.473 -6.263 7.505 1.00 0.00 C ATOM 1789 C MET A 117 -6.838 -5.544 8.697 1.00 0.00 C ATOM 1790 O MET A 117 -5.784 -4.926 8.564 1.00 0.00 O ATOM 1791 CB MET A 117 -8.612 -5.409 6.941 1.00 0.00 C ATOM 1792 CG MET A 117 -8.193 -4.730 5.635 1.00 0.00 C ATOM 1793 SD MET A 117 -8.686 -3.015 5.654 1.00 0.00 S ATOM 1794 CE MET A 117 -8.588 -2.645 3.911 1.00 0.00 C ATOM 0 H MET A 117 -9.006 -7.644 7.862 1.00 0.00 H new ATOM 0 HA MET A 117 -6.707 -6.412 6.744 1.00 0.00 H new ATOM 0 HB2 MET A 117 -9.488 -6.034 6.766 1.00 0.00 H new ATOM 0 HB3 MET A 117 -8.901 -4.653 7.672 1.00 0.00 H new ATOM 0 HG2 MET A 117 -7.113 -4.805 5.506 1.00 0.00 H new ATOM 0 HG3 MET A 117 -8.651 -5.239 4.787 1.00 0.00 H new ATOM 0 HE1 MET A 117 -8.566 -1.565 3.769 1.00 0.00 H new ATOM 0 HE2 MET A 117 -7.681 -3.084 3.496 1.00 0.00 H new ATOM 0 HE3 MET A 117 -9.457 -3.060 3.401 1.00 0.00 H new ATOM 1804 N LYS A 118 -7.508 -5.648 9.836 1.00 0.00 N ATOM 1805 CA LYS A 118 -7.022 -5.016 11.050 1.00 0.00 C ATOM 1806 C LYS A 118 -5.660 -5.607 11.419 1.00 0.00 C ATOM 1807 O LYS A 118 -4.791 -4.902 11.929 1.00 0.00 O ATOM 1808 CB LYS A 118 -8.064 -5.127 12.165 1.00 0.00 C ATOM 1809 CG LYS A 118 -7.518 -4.571 13.483 1.00 0.00 C ATOM 1810 CD LYS A 118 -8.655 -4.259 14.458 1.00 0.00 C ATOM 1811 CE LYS A 118 -8.877 -5.419 15.431 1.00 0.00 C ATOM 1812 NZ LYS A 118 -8.519 -5.017 16.810 1.00 0.00 N ATOM 0 H LYS A 118 -8.383 -6.161 9.943 1.00 0.00 H new ATOM 0 HA LYS A 118 -6.872 -3.948 10.890 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -8.965 -4.582 11.882 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -8.351 -6.170 12.297 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -6.837 -5.293 13.932 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -6.941 -3.667 13.289 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -8.422 -3.352 15.015 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -9.572 -4.065 13.902 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -9.920 -5.735 15.397 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -8.275 -6.275 15.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -8.676 -5.816 17.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -7.518 -4.738 16.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -9.112 -4.214 17.102 1.00 0.00 H new ATOM 1826 N ALA A 119 -5.518 -6.896 11.145 1.00 0.00 N ATOM 1827 CA ALA A 119 -4.277 -7.590 11.443 1.00 0.00 C ATOM 1828 C ALA A 119 -3.184 -7.104 10.487 1.00 0.00 C ATOM 1829 O ALA A 119 -2.055 -6.855 10.906 1.00 0.00 O ATOM 1830 CB ALA A 119 -4.502 -9.101 11.350 1.00 0.00 C ATOM 0 H ALA A 119 -6.241 -7.477 10.720 1.00 0.00 H new ATOM 0 HA ALA A 119 -3.949 -7.371 12.459 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -3.571 -9.622 11.574 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -5.266 -9.400 12.067 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -4.829 -9.359 10.343 1.00 0.00 H new ATOM 1836 N ALA A 120 -3.560 -6.982 9.223 1.00 0.00 N ATOM 1837 CA ALA A 120 -2.626 -6.530 8.205 1.00 0.00 C ATOM 1838 C ALA A 120 -2.048 -5.175 8.616 1.00 0.00 C ATOM 1839 O ALA A 120 -0.833 -4.984 8.603 1.00 0.00 O ATOM 1840 CB ALA A 120 -3.334 -6.476 6.850 1.00 0.00 C ATOM 0 H ALA A 120 -4.498 -7.188 8.880 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.794 -7.228 8.110 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.634 -6.137 6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.700 -7.469 6.591 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.173 -5.783 6.905 1.00 0.00 H new ATOM 1846 N ILE A 121 -2.946 -4.267 8.971 1.00 0.00 N ATOM 1847 CA ILE A 121 -2.541 -2.934 9.384 1.00 0.00 C ATOM 1848 C ILE A 121 -1.648 -3.039 10.621 1.00 0.00 C ATOM 1849 O ILE A 121 -0.623 -2.365 10.710 1.00 0.00 O ATOM 1850 CB ILE A 121 -3.766 -2.040 9.583 1.00 0.00 C ATOM 1851 CG1 ILE A 121 -4.750 -2.669 10.572 1.00 0.00 C ATOM 1852 CG2 ILE A 121 -4.430 -1.713 8.244 1.00 0.00 C ATOM 1853 CD1 ILE A 121 -5.951 -1.752 10.809 1.00 0.00 C ATOM 0 H ILE A 121 -3.953 -4.429 8.981 1.00 0.00 H new ATOM 0 HA ILE A 121 -1.950 -2.455 8.603 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.433 -1.097 10.016 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.092 -3.630 10.188 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.245 -2.865 11.518 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.298 -1.076 8.414 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -3.719 -1.193 7.603 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -4.747 -2.637 7.760 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -6.635 -2.223 11.516 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -5.608 -0.801 11.215 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -6.468 -1.578 9.865 1.00 0.00 H new ATOM 1865 N GLU A 122 -2.069 -3.889 11.546 1.00 0.00 N ATOM 1866 CA GLU A 122 -1.320 -4.091 12.775 1.00 0.00 C ATOM 1867 C GLU A 122 0.123 -4.490 12.458 1.00 0.00 C ATOM 1868 O GLU A 122 1.035 -4.200 13.230 1.00 0.00 O ATOM 1869 CB GLU A 122 -1.995 -5.138 13.664 1.00 0.00 C ATOM 1870 CG GLU A 122 -2.745 -4.473 14.820 1.00 0.00 C ATOM 1871 CD GLU A 122 -4.251 -4.440 14.550 1.00 0.00 C ATOM 1872 OE1 GLU A 122 -4.690 -3.462 13.907 1.00 0.00 O ATOM 1873 OE2 GLU A 122 -4.929 -5.392 14.993 1.00 0.00 O ATOM 0 H GLU A 122 -2.920 -4.446 11.469 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.304 -3.150 13.326 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -2.689 -5.732 13.070 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -1.245 -5.823 14.059 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -2.550 -5.016 15.745 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -2.375 -3.458 14.962 1.00 0.00 H new ATOM 1880 N ALA A 123 0.285 -5.148 11.320 1.00 0.00 N ATOM 1881 CA ALA A 123 1.600 -5.589 10.890 1.00 0.00 C ATOM 1882 C ALA A 123 2.306 -4.443 10.165 1.00 0.00 C ATOM 1883 O ALA A 123 3.482 -4.179 10.410 1.00 0.00 O ATOM 1884 CB ALA A 123 1.461 -6.837 10.015 1.00 0.00 C ATOM 0 H ALA A 123 -0.474 -5.387 10.682 1.00 0.00 H new ATOM 0 HA ALA A 123 2.213 -5.862 11.749 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.449 -7.167 9.693 1.00 0.00 H new ATOM 0 HB2 ALA A 123 0.982 -7.631 10.587 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.854 -6.603 9.141 1.00 0.00 H new ATOM 1890 N VAL A 124 1.559 -3.793 9.285 1.00 0.00 N ATOM 1891 CA VAL A 124 2.099 -2.681 8.521 1.00 0.00 C ATOM 1892 C VAL A 124 2.552 -1.580 9.482 1.00 0.00 C ATOM 1893 O VAL A 124 3.494 -0.846 9.191 1.00 0.00 O ATOM 1894 CB VAL A 124 1.067 -2.197 7.501 1.00 0.00 C ATOM 1895 CG1 VAL A 124 0.201 -1.079 8.085 1.00 0.00 C ATOM 1896 CG2 VAL A 124 1.746 -1.745 6.206 1.00 0.00 C ATOM 0 H VAL A 124 0.584 -4.015 9.084 1.00 0.00 H new ATOM 0 HA VAL A 124 2.974 -2.997 7.953 1.00 0.00 H new ATOM 0 HB VAL A 124 0.414 -3.036 7.262 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -0.524 -0.753 7.339 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -0.325 -1.448 8.965 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.834 -0.238 8.367 1.00 0.00 H new ATOM 0 HG21 VAL A 124 0.990 -1.406 5.498 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.434 -0.927 6.422 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.299 -2.580 5.775 1.00 0.00 H new ATOM 1906 N PHE A 125 1.858 -1.500 10.608 1.00 0.00 N ATOM 1907 CA PHE A 125 2.177 -0.502 11.614 1.00 0.00 C ATOM 1908 C PHE A 125 3.341 -0.961 12.494 1.00 0.00 C ATOM 1909 O PHE A 125 4.362 -0.281 12.586 1.00 0.00 O ATOM 1910 CB PHE A 125 0.931 -0.330 12.485 1.00 0.00 C ATOM 1911 CG PHE A 125 -0.112 0.623 11.898 1.00 0.00 C ATOM 1912 CD1 PHE A 125 -0.029 1.005 10.595 1.00 0.00 C ATOM 1913 CD2 PHE A 125 -1.123 1.090 12.680 1.00 0.00 C ATOM 1914 CE1 PHE A 125 -0.996 1.890 10.051 1.00 0.00 C ATOM 1915 CE2 PHE A 125 -2.091 1.975 12.135 1.00 0.00 C ATOM 1916 CZ PHE A 125 -2.007 2.357 10.833 1.00 0.00 C ATOM 0 H PHE A 125 1.076 -2.110 10.846 1.00 0.00 H new ATOM 0 HA PHE A 125 2.468 0.431 11.132 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.471 -1.306 12.639 1.00 0.00 H new ATOM 0 HB3 PHE A 125 1.234 0.038 13.465 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.773 0.635 9.974 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -1.189 0.788 13.715 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -0.929 2.193 9.016 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -2.894 2.345 12.755 1.00 0.00 H new ATOM 0 HZ PHE A 125 -2.743 3.031 10.419 1.00 0.00 H new ATOM 1926 N GLY A 126 3.149 -2.114 13.119 1.00 0.00 N ATOM 1927 CA GLY A 126 4.169 -2.672 13.989 1.00 0.00 C ATOM 1928 C GLY A 126 5.452 -2.968 13.209 1.00 0.00 C ATOM 1929 O GLY A 126 6.480 -2.332 13.434 1.00 0.00 O ATOM 0 H GLY A 126 2.302 -2.676 13.040 1.00 0.00 H new ATOM 0 HA2 GLY A 126 4.384 -1.974 14.798 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.799 -3.588 14.449 1.00 0.00 H new ATOM 1933 N ALA A 127 5.349 -3.934 12.308 1.00 0.00 N ATOM 1934 CA ALA A 127 6.488 -4.322 11.495 1.00 0.00 C ATOM 1935 C ALA A 127 7.773 -4.160 12.310 1.00 0.00 C ATOM 1936 O ALA A 127 8.608 -3.312 11.997 1.00 0.00 O ATOM 1937 CB ALA A 127 6.504 -3.491 10.210 1.00 0.00 C ATOM 0 H ALA A 127 4.494 -4.459 12.123 1.00 0.00 H new ATOM 0 HA ALA A 127 6.413 -5.370 11.206 1.00 0.00 H new ATOM 0 HB1 ALA A 127 7.359 -3.782 9.599 1.00 0.00 H new ATOM 0 HB2 ALA A 127 5.584 -3.665 9.653 1.00 0.00 H new ATOM 0 HB3 ALA A 127 6.581 -2.433 10.462 1.00 0.00 H new ATOM 1943 N LEU A 128 7.889 -4.983 13.341 1.00 0.00 N ATOM 1944 CA LEU A 128 9.057 -4.941 14.205 1.00 0.00 C ATOM 1945 C LEU A 128 10.087 -5.960 13.712 1.00 0.00 C ATOM 1946 O LEU A 128 9.768 -7.134 13.533 1.00 0.00 O ATOM 1947 CB LEU A 128 8.650 -5.136 15.666 1.00 0.00 C ATOM 1948 CG LEU A 128 9.470 -4.361 16.700 1.00 0.00 C ATOM 1949 CD1 LEU A 128 10.898 -4.901 16.784 1.00 0.00 C ATOM 1950 CD2 LEU A 128 9.441 -2.859 16.407 1.00 0.00 C ATOM 0 H LEU A 128 7.193 -5.683 13.598 1.00 0.00 H new ATOM 0 HA LEU A 128 9.530 -3.960 14.159 1.00 0.00 H new ATOM 0 HB2 LEU A 128 7.604 -4.849 15.772 1.00 0.00 H new ATOM 0 HB3 LEU A 128 8.715 -6.198 15.902 1.00 0.00 H new ATOM 0 HG LEU A 128 9.013 -4.508 17.679 1.00 0.00 H new ATOM 0 HD11 LEU A 128 11.459 -4.333 17.526 1.00 0.00 H new ATOM 0 HD12 LEU A 128 10.873 -5.951 17.074 1.00 0.00 H new ATOM 0 HD13 LEU A 128 11.381 -4.804 15.812 1.00 0.00 H new ATOM 0 HD21 LEU A 128 10.031 -2.331 17.156 1.00 0.00 H new ATOM 0 HD22 LEU A 128 9.860 -2.673 15.418 1.00 0.00 H new ATOM 0 HD23 LEU A 128 8.412 -2.502 16.438 1.00 0.00 H new ATOM 1962 N LYS A 129 11.302 -5.472 13.506 1.00 0.00 N ATOM 1963 CA LYS A 129 12.381 -6.326 13.038 1.00 0.00 C ATOM 1964 C LYS A 129 11.832 -7.316 12.008 1.00 0.00 C ATOM 1965 O LYS A 129 12.035 -8.523 12.133 1.00 0.00 O ATOM 1966 CB LYS A 129 13.085 -6.995 14.220 1.00 0.00 C ATOM 1967 CG LYS A 129 14.556 -6.577 14.289 1.00 0.00 C ATOM 1968 CD LYS A 129 15.429 -7.725 14.798 1.00 0.00 C ATOM 1969 CE LYS A 129 15.690 -7.591 16.300 1.00 0.00 C ATOM 1970 NZ LYS A 129 15.569 -8.907 16.967 1.00 0.00 N ATOM 0 H LYS A 129 11.563 -4.497 13.654 1.00 0.00 H new ATOM 0 HA LYS A 129 13.145 -5.734 12.535 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.582 -6.724 15.148 1.00 0.00 H new ATOM 0 HB3 LYS A 129 13.015 -8.079 14.124 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.896 -6.267 13.301 1.00 0.00 H new ATOM 0 HG3 LYS A 129 14.662 -5.715 14.948 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.939 -8.677 14.594 1.00 0.00 H new ATOM 0 HD3 LYS A 129 16.377 -7.732 14.260 1.00 0.00 H new ATOM 0 HE2 LYS A 129 16.687 -7.182 16.467 1.00 0.00 H new ATOM 0 HE3 LYS A 129 14.980 -6.889 16.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 15.749 -8.798 17.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 14.610 -9.282 16.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 16.263 -9.567 16.561 1.00 0.00 H new TER 1984 LYS A 129