USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1026 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 56 SER OG : rot 76:sc= 0.529! USER MOD Set 1.2: A 89 TYR OH : rot 116:sc= -5.91! USER MOD Set 2.1: A 43 SER OG : rot -24:sc= 0.58 USER MOD Set 2.2: A 45 HIS : no HE2:sc= -3.24 K(o=-2.7,f=-14!) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.465 (180deg=-1.38) USER MOD Single : A 1 MET N :NH3+ 156:sc= -0.112 (180deg=-0.52) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= -0.127 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 71:sc= -1.9 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 HIS : no HD1:sc= -1.62 K(o=-1.6,f=-4.2!) USER MOD Single : A 23 ASN :FLIP amide:sc= -3.37! C(o=-4.3!,f=-3.4!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -5.08! C(o=-5.1!,f=-6.6!) USER MOD Single : A 46 TYR OH : rot 180:sc= -2.69! USER MOD Single : A 48 SER OG : rot 140:sc= -0.0491! USER MOD Single : A 50 SER OG : rot 140:sc= -4.04! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.314 K(o=-0.31,f=-0.92) USER MOD Single : A 60 GLN : amide:sc= -0.0194 X(o=-0.019,f=-0.18) USER MOD Single : A 61 ASN :FLIP amide:sc= -2.4! C(o=-6.5!,f=-2.4!) USER MOD Single : A 63 LYS NZ :NH3+ -117:sc= -0.363 (180deg=-1.52) USER MOD Single : A 65 LYS NZ :NH3+ -141:sc= -0.338 (180deg=-1.29!) USER MOD Single : A 67 THR OG1 : rot 131:sc= 0.0522 USER MOD Single : A 71 HIS : no HD1:sc= -2.51! C(o=-2.5!,f=-6.2!) USER MOD Single : A 72 SER OG : rot 67:sc= 0.203 USER MOD Single : A 75 SER OG : rot -42:sc= -1.75 USER MOD Single : A 76 GLN : amide:sc= -4.11! C(o=-4.1!,f=-3.6!) USER MOD Single : A 81 THR OG1 : rot -100:sc= -0.537 USER MOD Single : A 82 CYS SG : rot 60:sc= 0.256 USER MOD Single : A 88 ASN :FLIP amide:sc= -0.829 F(o=-3.8!,f=-0.83) USER MOD Single : A 93 LYS NZ :NH3+ -147:sc= -0.184 (180deg=-0.592) USER MOD Single : A 94 LYS NZ :NH3+ -156:sc= -0.0509 (180deg=-0.276) USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.94 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.141 K(o=-0.14,f=-0.74) USER MOD Single : A 103 MET CE :methyl 177:sc= -4.15! (180deg=-4.62!) USER MOD Single : A 110 ASN : amide:sc= -0.445 K(o=-0.44,f=-5.5!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0837) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.804 24.429 6.579 1.00 0.00 N ATOM 2 CA MET A 1 7.481 23.026 6.211 1.00 0.00 C ATOM 3 C MET A 1 7.622 22.095 7.411 1.00 0.00 C ATOM 4 O MET A 1 8.336 22.400 8.367 1.00 0.00 O ATOM 5 CB MET A 1 8.422 22.587 5.088 1.00 0.00 C ATOM 6 CG MET A 1 9.882 22.921 5.353 1.00 0.00 C ATOM 7 SD MET A 1 10.973 22.364 4.031 1.00 0.00 S ATOM 8 CE MET A 1 10.392 20.685 3.799 1.00 0.00 C ATOM 0 H1 MET A 1 8.098 24.952 5.729 1.00 0.00 H new ATOM 0 H2 MET A 1 6.964 24.882 6.991 1.00 0.00 H new ATOM 0 H3 MET A 1 8.577 24.436 7.274 1.00 0.00 H new ATOM 0 HA MET A 1 6.445 22.974 5.875 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.324 21.511 4.943 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.112 23.063 4.158 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.988 23.999 5.476 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.191 22.461 6.292 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.154 20.105 3.278 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.192 20.232 4.770 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.476 20.695 3.208 1.00 0.00 H new ATOM 18 N ALA A 2 6.934 20.959 7.356 1.00 0.00 N ATOM 19 CA ALA A 2 6.981 19.981 8.437 1.00 0.00 C ATOM 20 C ALA A 2 7.003 18.558 7.886 1.00 0.00 C ATOM 21 O ALA A 2 7.283 18.345 6.707 1.00 0.00 O ATOM 22 CB ALA A 2 5.793 20.174 9.371 1.00 0.00 C ATOM 0 H ALA A 2 6.337 20.693 6.573 1.00 0.00 H new ATOM 0 HA ALA A 2 7.901 20.137 9.001 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.838 19.438 10.174 1.00 0.00 H new ATOM 0 HB2 ALA A 2 5.823 21.177 9.796 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.866 20.044 8.812 1.00 0.00 H new ATOM 28 N MET A 3 6.702 17.585 8.745 1.00 0.00 N ATOM 29 CA MET A 3 6.683 16.182 8.341 1.00 0.00 C ATOM 30 C MET A 3 8.099 15.661 8.106 1.00 0.00 C ATOM 31 O MET A 3 9.050 16.437 8.021 1.00 0.00 O ATOM 32 CB MET A 3 5.839 16.001 7.076 1.00 0.00 C ATOM 33 CG MET A 3 4.529 16.775 7.102 1.00 0.00 C ATOM 34 SD MET A 3 3.181 15.836 7.846 1.00 0.00 S ATOM 35 CE MET A 3 1.773 16.850 7.400 1.00 0.00 C ATOM 0 H MET A 3 6.468 17.744 9.725 1.00 0.00 H new ATOM 0 HA MET A 3 6.235 15.605 9.150 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.422 16.319 6.212 1.00 0.00 H new ATOM 0 HB3 MET A 3 5.623 14.941 6.942 1.00 0.00 H new ATOM 0 HG2 MET A 3 4.670 17.702 7.657 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.255 17.052 6.084 1.00 0.00 H new ATOM 0 HE1 MET A 3 0.861 16.398 7.791 1.00 0.00 H new ATOM 0 HE2 MET A 3 1.894 17.847 7.823 1.00 0.00 H new ATOM 0 HE3 MET A 3 1.706 16.922 6.314 1.00 0.00 H new ATOM 45 N ALA A 4 8.230 14.341 8.008 1.00 0.00 N ATOM 46 CA ALA A 4 9.529 13.715 7.789 1.00 0.00 C ATOM 47 C ALA A 4 9.880 13.663 6.306 1.00 0.00 C ATOM 48 O ALA A 4 9.122 14.140 5.460 1.00 0.00 O ATOM 49 CB ALA A 4 9.545 12.316 8.384 1.00 0.00 C ATOM 0 H ALA A 4 7.452 13.685 8.077 1.00 0.00 H new ATOM 0 HA ALA A 4 10.283 14.324 8.289 1.00 0.00 H new ATOM 0 HB1 ALA A 4 10.520 11.859 8.214 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.353 12.374 9.455 1.00 0.00 H new ATOM 0 HB3 ALA A 4 8.773 11.710 7.910 1.00 0.00 H new ATOM 55 N ARG A 5 11.037 13.082 5.997 1.00 0.00 N ATOM 56 CA ARG A 5 11.494 12.966 4.615 1.00 0.00 C ATOM 57 C ARG A 5 11.454 11.514 4.149 1.00 0.00 C ATOM 58 O ARG A 5 10.879 10.654 4.816 1.00 0.00 O ATOM 59 CB ARG A 5 12.913 13.523 4.474 1.00 0.00 C ATOM 60 CG ARG A 5 13.156 14.794 5.272 1.00 0.00 C ATOM 61 CD ARG A 5 12.117 15.860 4.961 1.00 0.00 C ATOM 62 NE ARG A 5 12.070 16.188 3.538 1.00 0.00 N ATOM 63 CZ ARG A 5 11.098 16.903 2.976 1.00 0.00 C ATOM 64 NH1 ARG A 5 10.092 17.362 3.711 1.00 0.00 N ATOM 65 NH2 ARG A 5 11.130 17.160 1.675 1.00 0.00 N ATOM 0 H ARG A 5 11.675 12.684 6.686 1.00 0.00 H new ATOM 0 HA ARG A 5 10.821 13.549 3.986 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.625 12.762 4.794 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.112 13.723 3.421 1.00 0.00 H new ATOM 0 HG2 ARG A 5 13.135 14.565 6.337 1.00 0.00 H new ATOM 0 HG3 ARG A 5 14.151 15.179 5.049 1.00 0.00 H new ATOM 0 HD2 ARG A 5 11.136 15.513 5.285 1.00 0.00 H new ATOM 0 HD3 ARG A 5 12.341 16.761 5.532 1.00 0.00 H new ATOM 0 HE ARG A 5 12.825 15.850 2.941 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.061 17.167 4.712 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.350 17.909 3.275 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.900 16.810 1.105 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.385 17.708 1.245 1.00 0.00 H new ATOM 79 N SER A 6 12.066 11.248 2.997 1.00 0.00 N ATOM 80 CA SER A 6 12.095 9.900 2.440 1.00 0.00 C ATOM 81 C SER A 6 10.684 9.424 2.118 1.00 0.00 C ATOM 82 O SER A 6 9.740 9.746 2.835 1.00 0.00 O ATOM 83 CB SER A 6 12.762 8.929 3.417 1.00 0.00 C ATOM 84 OG SER A 6 13.649 9.609 4.288 1.00 0.00 O ATOM 0 H SER A 6 12.548 11.948 2.433 1.00 0.00 H new ATOM 0 HA SER A 6 12.676 9.926 1.518 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.999 8.414 4.000 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.307 8.166 2.861 1.00 0.00 H new ATOM 0 HG SER A 6 14.060 8.966 4.903 1.00 0.00 H new ATOM 90 N ILE A 7 10.547 8.660 1.034 1.00 0.00 N ATOM 91 CA ILE A 7 9.243 8.141 0.608 1.00 0.00 C ATOM 92 C ILE A 7 8.236 9.278 0.452 1.00 0.00 C ATOM 93 O ILE A 7 8.450 10.379 0.959 1.00 0.00 O ATOM 94 CB ILE A 7 8.701 7.044 1.583 1.00 0.00 C ATOM 95 CG1 ILE A 7 7.345 7.421 2.214 1.00 0.00 C ATOM 96 CG2 ILE A 7 9.715 6.730 2.675 1.00 0.00 C ATOM 97 CD1 ILE A 7 7.422 8.524 3.249 1.00 0.00 C ATOM 0 H ILE A 7 11.324 8.385 0.433 1.00 0.00 H new ATOM 0 HA ILE A 7 9.383 7.666 -0.363 1.00 0.00 H new ATOM 0 HB ILE A 7 8.541 6.153 0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.663 7.730 1.422 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.915 6.533 2.678 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.311 5.964 3.337 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.637 6.367 2.222 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.923 7.633 3.249 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.425 8.726 3.641 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.076 8.213 4.064 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.820 9.428 2.788 1.00 0.00 H new ATOM 109 N SER A 8 7.131 9.018 -0.242 1.00 0.00 N ATOM 110 CA SER A 8 6.118 10.046 -0.424 1.00 0.00 C ATOM 111 C SER A 8 4.758 9.538 -0.001 1.00 0.00 C ATOM 112 O SER A 8 4.313 8.491 -0.433 1.00 0.00 O ATOM 113 CB SER A 8 6.060 10.527 -1.867 1.00 0.00 C ATOM 114 OG SER A 8 7.326 10.988 -2.307 1.00 0.00 O ATOM 0 H SER A 8 6.919 8.121 -0.679 1.00 0.00 H new ATOM 0 HA SER A 8 6.398 10.890 0.207 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.723 9.714 -2.510 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.327 11.329 -1.956 1.00 0.00 H new ATOM 0 HG SER A 8 7.259 11.289 -3.237 1.00 0.00 H new ATOM 120 N TYR A 9 4.107 10.296 0.845 1.00 0.00 N ATOM 121 CA TYR A 9 2.792 9.936 1.342 1.00 0.00 C ATOM 122 C TYR A 9 1.772 10.937 0.861 1.00 0.00 C ATOM 123 O TYR A 9 2.129 12.071 0.543 1.00 0.00 O ATOM 124 CB TYR A 9 2.809 9.876 2.861 1.00 0.00 C ATOM 125 CG TYR A 9 3.162 11.191 3.504 1.00 0.00 C ATOM 126 CD1 TYR A 9 2.260 12.234 3.482 1.00 0.00 C ATOM 127 CD2 TYR A 9 4.388 11.389 4.125 1.00 0.00 C ATOM 128 CE1 TYR A 9 2.560 13.451 4.060 1.00 0.00 C ATOM 129 CE2 TYR A 9 4.700 12.603 4.708 1.00 0.00 C ATOM 130 CZ TYR A 9 3.782 13.631 4.672 1.00 0.00 C ATOM 131 OH TYR A 9 4.086 14.841 5.250 1.00 0.00 O ATOM 0 H TYR A 9 4.467 11.178 1.211 1.00 0.00 H new ATOM 0 HA TYR A 9 2.520 8.952 0.961 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.829 9.557 3.216 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.526 9.119 3.180 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.301 12.096 3.004 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.107 10.584 4.153 1.00 0.00 H new ATOM 0 HE1 TYR A 9 1.842 14.257 4.033 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.657 12.745 5.189 1.00 0.00 H new ATOM 0 HH TYR A 9 3.546 14.962 6.059 1.00 0.00 H new ATOM 141 N ILE A 10 0.504 10.538 0.777 1.00 0.00 N ATOM 142 CA ILE A 10 -0.492 11.485 0.290 1.00 0.00 C ATOM 143 C ILE A 10 -1.652 11.670 1.257 1.00 0.00 C ATOM 144 O ILE A 10 -2.262 10.710 1.720 1.00 0.00 O ATOM 145 CB ILE A 10 -1.042 11.035 -1.082 1.00 0.00 C ATOM 146 CG1 ILE A 10 0.067 11.073 -2.136 1.00 0.00 C ATOM 147 CG2 ILE A 10 -2.219 11.904 -1.513 1.00 0.00 C ATOM 148 CD1 ILE A 10 -0.182 10.150 -3.310 1.00 0.00 C ATOM 0 H ILE A 10 0.155 9.613 1.026 1.00 0.00 H new ATOM 0 HA ILE A 10 0.018 12.444 0.194 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.399 10.010 -0.986 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.173 12.094 -2.503 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.013 10.803 -1.666 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.586 11.565 -2.482 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.018 11.827 -0.775 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.896 12.942 -1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.644 10.229 -4.017 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.259 9.122 -2.955 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.111 10.433 -3.805 1.00 0.00 H new ATOM 160 N THR A 11 -1.957 12.940 1.505 1.00 0.00 N ATOM 161 CA THR A 11 -3.059 13.344 2.366 1.00 0.00 C ATOM 162 C THR A 11 -4.296 13.651 1.525 1.00 0.00 C ATOM 163 O THR A 11 -4.216 13.720 0.299 1.00 0.00 O ATOM 164 CB THR A 11 -2.667 14.572 3.190 1.00 0.00 C ATOM 165 OG1 THR A 11 -1.272 14.585 3.437 1.00 0.00 O ATOM 166 CG2 THR A 11 -3.370 14.649 4.528 1.00 0.00 C ATOM 0 H THR A 11 -1.439 13.725 1.109 1.00 0.00 H new ATOM 0 HA THR A 11 -3.288 12.525 3.047 1.00 0.00 H new ATOM 0 HB THR A 11 -2.972 15.429 2.590 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.040 15.378 3.964 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.045 15.544 5.059 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.448 14.692 4.371 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.124 13.767 5.119 1.00 0.00 H new ATOM 174 N SER A 12 -5.433 13.850 2.182 1.00 0.00 N ATOM 175 CA SER A 12 -6.672 14.167 1.477 1.00 0.00 C ATOM 176 C SER A 12 -6.476 15.356 0.533 1.00 0.00 C ATOM 177 O SER A 12 -6.917 15.331 -0.615 1.00 0.00 O ATOM 178 CB SER A 12 -7.787 14.473 2.480 1.00 0.00 C ATOM 179 OG SER A 12 -8.864 15.152 1.857 1.00 0.00 O ATOM 0 H SER A 12 -5.524 13.798 3.197 1.00 0.00 H new ATOM 0 HA SER A 12 -6.955 13.299 0.881 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.147 13.544 2.923 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.391 15.082 3.293 1.00 0.00 H new ATOM 0 HG SER A 12 -9.563 15.334 2.519 1.00 0.00 H new ATOM 185 N THR A 13 -5.811 16.397 1.030 1.00 0.00 N ATOM 186 CA THR A 13 -5.550 17.603 0.241 1.00 0.00 C ATOM 187 C THR A 13 -4.434 17.390 -0.763 1.00 0.00 C ATOM 188 O THR A 13 -4.478 17.932 -1.865 1.00 0.00 O ATOM 189 CB THR A 13 -5.203 18.784 1.139 1.00 0.00 C ATOM 190 OG1 THR A 13 -4.151 18.450 2.027 1.00 0.00 O ATOM 191 CG2 THR A 13 -6.368 19.278 1.968 1.00 0.00 C ATOM 0 H THR A 13 -5.441 16.431 1.980 1.00 0.00 H new ATOM 0 HA THR A 13 -6.468 17.824 -0.303 1.00 0.00 H new ATOM 0 HB THR A 13 -4.906 19.581 0.457 1.00 0.00 H new ATOM 0 HG1 THR A 13 -3.943 19.223 2.593 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.047 20.119 2.582 1.00 0.00 H new ATOM 0 HG22 THR A 13 -7.175 19.598 1.308 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.723 18.474 2.612 1.00 0.00 H new ATOM 199 N GLN A 14 -3.426 16.611 -0.387 1.00 0.00 N ATOM 200 CA GLN A 14 -2.306 16.362 -1.285 1.00 0.00 C ATOM 201 C GLN A 14 -2.817 15.786 -2.600 1.00 0.00 C ATOM 202 O GLN A 14 -2.127 15.833 -3.619 1.00 0.00 O ATOM 203 CB GLN A 14 -1.316 15.397 -0.642 1.00 0.00 C ATOM 204 CG GLN A 14 -0.626 15.957 0.593 1.00 0.00 C ATOM 205 CD GLN A 14 0.457 16.963 0.250 1.00 0.00 C ATOM 206 OE1 GLN A 14 1.551 16.595 -0.175 1.00 0.00 O ATOM 207 NE2 GLN A 14 0.156 18.244 0.436 1.00 0.00 N ATOM 0 H GLN A 14 -3.361 16.148 0.519 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.796 17.305 -1.482 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.840 14.481 -0.370 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.559 15.124 -1.377 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.368 16.432 1.235 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.188 15.138 1.163 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.764 18.505 0.791 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.845 18.966 0.224 1.00 0.00 H new ATOM 216 N LEU A 15 -4.048 15.280 -2.581 1.00 0.00 N ATOM 217 CA LEU A 15 -4.665 14.746 -3.777 1.00 0.00 C ATOM 218 C LEU A 15 -5.104 15.885 -4.699 1.00 0.00 C ATOM 219 O LEU A 15 -5.146 15.719 -5.918 1.00 0.00 O ATOM 220 CB LEU A 15 -5.861 13.849 -3.417 1.00 0.00 C ATOM 221 CG LEU A 15 -7.218 14.555 -3.300 1.00 0.00 C ATOM 222 CD1 LEU A 15 -7.828 14.780 -4.675 1.00 0.00 C ATOM 223 CD2 LEU A 15 -8.163 13.746 -2.425 1.00 0.00 C ATOM 0 H LEU A 15 -4.632 15.232 -1.746 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.930 14.136 -4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.944 13.067 -4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.647 13.355 -2.469 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.059 15.527 -2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.790 15.282 -4.569 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.159 15.400 -5.273 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.973 13.820 -5.170 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.121 14.260 -2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.313 12.760 -2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.733 13.637 -1.429 1.00 0.00 H new ATOM 235 N LEU A 16 -5.444 17.045 -4.116 1.00 0.00 N ATOM 236 CA LEU A 16 -5.890 18.182 -4.923 1.00 0.00 C ATOM 237 C LEU A 16 -4.818 18.594 -5.941 1.00 0.00 C ATOM 238 O LEU A 16 -5.098 18.693 -7.136 1.00 0.00 O ATOM 239 CB LEU A 16 -6.266 19.369 -4.018 1.00 0.00 C ATOM 240 CG LEU A 16 -6.195 20.754 -4.675 1.00 0.00 C ATOM 241 CD1 LEU A 16 -7.386 21.606 -4.261 1.00 0.00 C ATOM 242 CD2 LEU A 16 -4.892 21.454 -4.313 1.00 0.00 C ATOM 0 H LEU A 16 -5.419 17.215 -3.111 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.776 17.875 -5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.280 19.214 -3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.606 19.364 -3.150 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.226 20.619 -5.756 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.317 22.584 -4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.309 21.116 -4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.386 21.729 -3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.861 22.434 -4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.832 21.574 -3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.049 20.856 -4.660 1.00 0.00 H new ATOM 254 N PRO A 17 -3.575 18.838 -5.486 1.00 0.00 N ATOM 255 CA PRO A 17 -2.473 19.237 -6.369 1.00 0.00 C ATOM 256 C PRO A 17 -2.281 18.284 -7.550 1.00 0.00 C ATOM 257 O PRO A 17 -2.533 18.652 -8.698 1.00 0.00 O ATOM 258 CB PRO A 17 -1.244 19.209 -5.453 1.00 0.00 C ATOM 259 CG PRO A 17 -1.786 19.380 -4.077 1.00 0.00 C ATOM 260 CD PRO A 17 -3.154 18.756 -4.079 1.00 0.00 C ATOM 0 HA PRO A 17 -2.661 20.210 -6.824 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.701 18.269 -5.549 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -0.546 20.007 -5.704 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.140 18.898 -3.343 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.841 20.435 -3.810 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.123 17.724 -3.730 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.840 19.294 -3.424 1.00 0.00 H new ATOM 268 N LEU A 18 -1.825 17.065 -7.268 1.00 0.00 N ATOM 269 CA LEU A 18 -1.593 16.074 -8.318 1.00 0.00 C ATOM 270 C LEU A 18 -2.199 14.720 -7.949 1.00 0.00 C ATOM 271 O LEU A 18 -3.244 14.342 -8.476 1.00 0.00 O ATOM 272 CB LEU A 18 -0.093 15.923 -8.582 1.00 0.00 C ATOM 273 CG LEU A 18 0.588 17.157 -9.180 1.00 0.00 C ATOM 274 CD1 LEU A 18 -0.159 17.634 -10.416 1.00 0.00 C ATOM 275 CD2 LEU A 18 0.681 18.271 -8.148 1.00 0.00 C ATOM 0 H LEU A 18 -1.609 16.740 -6.325 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.083 16.428 -9.225 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.402 15.673 -7.644 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.059 15.081 -9.257 1.00 0.00 H new ATOM 0 HG LEU A 18 1.600 16.880 -9.476 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.340 18.512 -10.827 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.170 16.840 -11.163 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.183 17.892 -10.145 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.168 19.139 -8.592 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.321 18.546 -7.818 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.263 17.927 -7.293 1.00 0.00 H new ATOM 287 N HIS A 19 -1.530 14.004 -7.036 1.00 0.00 N ATOM 288 CA HIS A 19 -1.980 12.683 -6.565 1.00 0.00 C ATOM 289 C HIS A 19 -1.265 11.536 -7.286 1.00 0.00 C ATOM 290 O HIS A 19 -1.583 10.369 -7.058 1.00 0.00 O ATOM 291 CB HIS A 19 -3.498 12.519 -6.716 1.00 0.00 C ATOM 292 CG HIS A 19 -4.060 11.377 -5.928 1.00 0.00 C ATOM 293 ND1 HIS A 19 -4.287 11.436 -4.569 1.00 0.00 N ATOM 294 CD2 HIS A 19 -4.451 10.141 -6.320 1.00 0.00 C ATOM 295 CE1 HIS A 19 -4.792 10.286 -4.158 1.00 0.00 C ATOM 296 NE2 HIS A 19 -4.902 9.483 -5.201 1.00 0.00 N ATOM 0 H HIS A 19 -0.663 14.321 -6.602 1.00 0.00 H new ATOM 0 HA HIS A 19 -1.722 12.634 -5.507 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.987 13.441 -6.403 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.736 12.374 -7.770 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.415 9.746 -7.325 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -5.068 10.044 -3.142 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -5.263 8.529 -5.179 1.00 0.00 H new ATOM 305 N ARG A 20 -0.306 11.861 -8.153 1.00 0.00 N ATOM 306 CA ARG A 20 0.434 10.837 -8.892 1.00 0.00 C ATOM 307 C ARG A 20 -0.499 10.075 -9.822 1.00 0.00 C ATOM 308 O ARG A 20 -0.855 8.926 -9.562 1.00 0.00 O ATOM 309 CB ARG A 20 1.124 9.867 -7.929 1.00 0.00 C ATOM 310 CG ARG A 20 2.200 10.515 -7.073 1.00 0.00 C ATOM 311 CD ARG A 20 3.282 11.156 -7.927 1.00 0.00 C ATOM 312 NE ARG A 20 3.753 10.259 -8.980 1.00 0.00 N ATOM 313 CZ ARG A 20 4.468 10.660 -10.030 1.00 0.00 C ATOM 314 NH1 ARG A 20 4.790 11.939 -10.173 1.00 0.00 N ATOM 315 NH2 ARG A 20 4.860 9.779 -10.940 1.00 0.00 N ATOM 0 H ARG A 20 -0.024 12.819 -8.360 1.00 0.00 H new ATOM 0 HA ARG A 20 1.198 11.334 -9.490 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.373 9.421 -7.277 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.570 9.055 -8.503 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.748 11.270 -6.429 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.647 9.765 -6.420 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.895 12.070 -8.376 1.00 0.00 H new ATOM 0 HD3 ARG A 20 4.121 11.443 -7.293 1.00 0.00 H new ATOM 0 HE ARG A 20 3.521 9.268 -8.907 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.490 12.621 -9.477 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.338 12.240 -10.979 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.614 8.795 -10.836 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.407 10.086 -11.744 1.00 0.00 H new ATOM 329 N ARG A 21 -0.907 10.741 -10.897 1.00 0.00 N ATOM 330 CA ARG A 21 -1.828 10.161 -11.881 1.00 0.00 C ATOM 331 C ARG A 21 -1.569 8.663 -12.129 1.00 0.00 C ATOM 332 O ARG A 21 -2.314 7.825 -11.619 1.00 0.00 O ATOM 333 CB ARG A 21 -1.805 10.953 -13.202 1.00 0.00 C ATOM 334 CG ARG A 21 -0.641 11.933 -13.330 1.00 0.00 C ATOM 335 CD ARG A 21 -0.256 12.171 -14.781 1.00 0.00 C ATOM 336 NE ARG A 21 1.143 11.831 -15.035 1.00 0.00 N ATOM 337 CZ ARG A 21 1.852 12.304 -16.057 1.00 0.00 C ATOM 338 NH1 ARG A 21 1.299 13.139 -16.929 1.00 0.00 N ATOM 339 NH2 ARG A 21 3.118 11.943 -16.208 1.00 0.00 N ATOM 0 H ARG A 21 -0.613 11.693 -11.115 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.827 10.239 -11.452 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.764 10.249 -14.033 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.740 11.504 -13.297 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.913 12.881 -12.866 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.220 11.547 -12.785 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -0.898 11.575 -15.430 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.428 13.217 -15.036 1.00 0.00 H new ATOM 0 HE ARG A 21 1.605 11.191 -14.388 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.325 13.421 -16.818 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.848 13.498 -17.710 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.549 11.303 -15.541 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.662 12.305 -16.991 1.00 0.00 H new ATOM 353 N PRO A 22 -0.535 8.280 -12.916 1.00 0.00 N ATOM 354 CA PRO A 22 -0.251 6.872 -13.203 1.00 0.00 C ATOM 355 C PRO A 22 0.661 6.221 -12.170 1.00 0.00 C ATOM 356 O PRO A 22 0.843 6.734 -11.065 1.00 0.00 O ATOM 357 CB PRO A 22 0.479 6.973 -14.536 1.00 0.00 C ATOM 358 CG PRO A 22 1.309 8.190 -14.361 1.00 0.00 C ATOM 359 CD PRO A 22 0.430 9.159 -13.615 1.00 0.00 C ATOM 0 HA PRO A 22 -1.153 6.259 -13.202 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.089 6.091 -14.731 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.214 7.072 -15.371 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.218 7.970 -13.801 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.618 8.598 -15.323 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.004 9.764 -12.913 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.073 9.849 -14.293 1.00 0.00 H new ATOM 367 N ASN A 23 1.244 5.094 -12.570 1.00 0.00 N ATOM 368 CA ASN A 23 2.177 4.325 -11.736 1.00 0.00 C ATOM 369 C ASN A 23 1.931 4.514 -10.229 1.00 0.00 C ATOM 370 O ASN A 23 2.870 4.738 -9.465 1.00 0.00 O ATOM 371 CB ASN A 23 3.600 4.701 -12.074 1.00 0.00 C ATOM 372 CG ASN A 23 3.799 4.994 -13.543 1.00 0.00 C ATOM 373 OD1 ASN A 23 3.533 3.990 -14.368 1.00 0.00 O flip ATOM 374 ND2 ASN A 23 4.184 6.099 -13.929 1.00 0.00 N flip ATOM 0 H ASN A 23 1.084 4.681 -13.489 1.00 0.00 H new ATOM 0 HA ASN A 23 2.004 3.272 -11.957 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.887 5.577 -11.492 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.265 3.890 -11.777 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.375 6.838 -13.252 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.312 6.275 -14.926 1.00 0.00 H new ATOM 381 N ILE A 24 0.672 4.432 -9.805 1.00 0.00 N ATOM 382 CA ILE A 24 0.327 4.595 -8.389 1.00 0.00 C ATOM 383 C ILE A 24 -0.687 3.537 -7.930 1.00 0.00 C ATOM 384 O ILE A 24 -1.684 3.290 -8.606 1.00 0.00 O ATOM 385 CB ILE A 24 -0.247 6.000 -8.113 1.00 0.00 C ATOM 386 CG1 ILE A 24 -0.484 6.197 -6.615 1.00 0.00 C ATOM 387 CG2 ILE A 24 -1.536 6.215 -8.893 1.00 0.00 C ATOM 388 CD1 ILE A 24 0.543 7.087 -5.953 1.00 0.00 C ATOM 0 H ILE A 24 -0.125 4.255 -10.416 1.00 0.00 H new ATOM 0 HA ILE A 24 1.250 4.467 -7.824 1.00 0.00 H new ATOM 0 HB ILE A 24 0.481 6.740 -8.446 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.475 6.626 -6.465 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.480 5.224 -6.124 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.925 7.212 -8.685 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.336 6.119 -9.960 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.271 5.468 -8.593 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.312 7.182 -4.892 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.534 6.649 -6.071 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.524 8.073 -6.418 1.00 0.00 H new ATOM 400 N ALA A 25 -0.428 2.919 -6.776 1.00 0.00 N ATOM 401 CA ALA A 25 -1.325 1.894 -6.228 1.00 0.00 C ATOM 402 C ALA A 25 -1.130 1.731 -4.717 1.00 0.00 C ATOM 403 O ALA A 25 -0.069 2.030 -4.193 1.00 0.00 O ATOM 404 CB ALA A 25 -1.115 0.567 -6.940 1.00 0.00 C ATOM 0 H ALA A 25 0.394 3.108 -6.202 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.350 2.223 -6.397 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.788 -0.181 -6.521 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.323 0.688 -8.003 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.083 0.242 -6.807 1.00 0.00 H new ATOM 410 N ILE A 26 -2.155 1.256 -4.015 1.00 0.00 N ATOM 411 CA ILE A 26 -2.056 1.062 -2.564 1.00 0.00 C ATOM 412 C ILE A 26 -1.753 -0.401 -2.212 1.00 0.00 C ATOM 413 O ILE A 26 -2.461 -1.310 -2.638 1.00 0.00 O ATOM 414 CB ILE A 26 -3.354 1.502 -1.857 1.00 0.00 C ATOM 415 CG1 ILE A 26 -3.540 3.014 -1.986 1.00 0.00 C ATOM 416 CG2 ILE A 26 -3.349 1.091 -0.390 1.00 0.00 C ATOM 417 CD1 ILE A 26 -4.988 3.438 -2.074 1.00 0.00 C ATOM 0 H ILE A 26 -3.056 0.999 -4.418 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.231 1.683 -2.215 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.191 1.000 -2.343 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.078 3.503 -1.129 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.013 3.362 -2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.277 1.415 0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.264 0.007 -0.316 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.503 1.557 0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.045 4.523 -2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.450 2.977 -2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.515 3.120 -1.175 1.00 0.00 H new ATOM 429 N ILE A 27 -0.687 -0.619 -1.436 1.00 0.00 N ATOM 430 CA ILE A 27 -0.291 -1.962 -1.033 1.00 0.00 C ATOM 431 C ILE A 27 -0.833 -2.343 0.347 1.00 0.00 C ATOM 432 O ILE A 27 -0.865 -1.534 1.274 1.00 0.00 O ATOM 433 CB ILE A 27 1.242 -2.131 -1.057 1.00 0.00 C ATOM 434 CG1 ILE A 27 1.624 -3.610 -0.897 1.00 0.00 C ATOM 435 CG2 ILE A 27 1.897 -1.275 0.014 1.00 0.00 C ATOM 436 CD1 ILE A 27 1.557 -4.122 0.529 1.00 0.00 C ATOM 0 H ILE A 27 -0.085 0.122 -1.076 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.733 -2.638 -1.765 1.00 0.00 H new ATOM 0 HB ILE A 27 1.611 -1.791 -2.025 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.962 -4.213 -1.519 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.636 -3.755 -1.275 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.978 -1.411 -0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.657 -0.226 -0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.527 -1.573 0.995 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.842 -5.174 0.552 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.240 -3.547 1.154 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.541 -4.013 0.907 1.00 0.00 H new ATOM 448 N ASP A 28 -1.238 -3.604 0.457 1.00 0.00 N ATOM 449 CA ASP A 28 -1.763 -4.159 1.696 1.00 0.00 C ATOM 450 C ASP A 28 -1.185 -5.555 1.923 1.00 0.00 C ATOM 451 O ASP A 28 -0.859 -6.260 0.969 1.00 0.00 O ATOM 452 CB ASP A 28 -3.291 -4.224 1.647 1.00 0.00 C ATOM 453 CG ASP A 28 -3.887 -4.784 2.924 1.00 0.00 C ATOM 454 OD1 ASP A 28 -4.044 -4.011 3.893 1.00 0.00 O ATOM 455 OD2 ASP A 28 -4.195 -5.993 2.956 1.00 0.00 O ATOM 0 H ASP A 28 -1.211 -4.271 -0.314 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.471 -3.512 2.523 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.689 -3.225 1.471 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.599 -4.842 0.804 1.00 0.00 H new ATOM 460 N VAL A 29 -1.050 -5.948 3.181 1.00 0.00 N ATOM 461 CA VAL A 29 -0.501 -7.258 3.514 1.00 0.00 C ATOM 462 C VAL A 29 -1.366 -7.981 4.545 1.00 0.00 C ATOM 463 O VAL A 29 -2.474 -7.542 4.852 1.00 0.00 O ATOM 464 CB VAL A 29 0.942 -7.134 4.056 1.00 0.00 C ATOM 465 CG1 VAL A 29 1.778 -6.241 3.153 1.00 0.00 C ATOM 466 CG2 VAL A 29 0.944 -6.600 5.483 1.00 0.00 C ATOM 0 H VAL A 29 -1.312 -5.381 3.988 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.490 -7.841 2.593 1.00 0.00 H new ATOM 0 HB VAL A 29 1.385 -8.130 4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.790 -6.166 3.551 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.813 -6.668 2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.331 -5.248 3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.971 -6.522 5.841 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.477 -5.615 5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.386 -7.280 6.127 1.00 0.00 H new ATOM 476 N ARG A 30 -0.835 -9.088 5.078 1.00 0.00 N ATOM 477 CA ARG A 30 -1.518 -9.902 6.097 1.00 0.00 C ATOM 478 C ARG A 30 -2.273 -11.079 5.480 1.00 0.00 C ATOM 479 O ARG A 30 -2.609 -12.036 6.177 1.00 0.00 O ATOM 480 CB ARG A 30 -2.479 -9.062 6.950 1.00 0.00 C ATOM 481 CG ARG A 30 -1.855 -7.796 7.516 1.00 0.00 C ATOM 482 CD ARG A 30 -2.868 -6.664 7.592 1.00 0.00 C ATOM 483 NE ARG A 30 -3.879 -6.906 8.619 1.00 0.00 N ATOM 484 CZ ARG A 30 -3.625 -6.901 9.924 1.00 0.00 C ATOM 485 NH1 ARG A 30 -2.402 -6.641 10.369 1.00 0.00 N ATOM 486 NH2 ARG A 30 -4.598 -7.149 10.789 1.00 0.00 N ATOM 0 H ARG A 30 0.083 -9.447 4.816 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.734 -10.297 6.743 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.343 -8.790 6.344 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.847 -9.674 7.774 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.457 -7.998 8.511 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.014 -7.493 6.892 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.351 -5.728 7.805 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.355 -6.547 6.624 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.836 -7.090 8.317 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.650 -6.443 9.709 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.214 -6.639 11.371 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.541 -7.344 10.453 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.403 -7.145 11.790 1.00 0.00 H new ATOM 500 N ASP A 31 -2.538 -11.012 4.178 1.00 0.00 N ATOM 501 CA ASP A 31 -3.254 -12.087 3.487 1.00 0.00 C ATOM 502 C ASP A 31 -4.722 -12.124 3.895 1.00 0.00 C ATOM 503 O ASP A 31 -5.611 -12.010 3.052 1.00 0.00 O ATOM 504 CB ASP A 31 -2.608 -13.439 3.779 1.00 0.00 C ATOM 505 CG ASP A 31 -2.497 -14.306 2.539 1.00 0.00 C ATOM 506 OD1 ASP A 31 -2.378 -13.745 1.430 1.00 0.00 O ATOM 507 OD2 ASP A 31 -2.528 -15.547 2.679 1.00 0.00 O ATOM 0 H ASP A 31 -2.270 -10.230 3.580 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.195 -11.885 2.418 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.615 -13.281 4.199 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.194 -13.963 4.534 1.00 0.00 H new ATOM 512 N GLU A 32 -4.976 -12.284 5.191 1.00 0.00 N ATOM 513 CA GLU A 32 -6.343 -12.331 5.699 1.00 0.00 C ATOM 514 C GLU A 32 -7.146 -11.132 5.203 1.00 0.00 C ATOM 515 O GLU A 32 -8.371 -11.191 5.098 1.00 0.00 O ATOM 516 CB GLU A 32 -6.339 -12.364 7.228 1.00 0.00 C ATOM 517 CG GLU A 32 -5.386 -11.361 7.856 1.00 0.00 C ATOM 518 CD GLU A 32 -5.607 -11.201 9.347 1.00 0.00 C ATOM 519 OE1 GLU A 32 -5.997 -12.193 9.998 1.00 0.00 O ATOM 520 OE2 GLU A 32 -5.390 -10.086 9.864 1.00 0.00 O ATOM 0 H GLU A 32 -4.255 -12.383 5.906 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.815 -13.240 5.326 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.349 -12.169 7.590 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.069 -13.366 7.561 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.359 -11.680 7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.509 -10.394 7.368 1.00 0.00 H new ATOM 527 N GLU A 33 -6.442 -10.048 4.888 1.00 0.00 N ATOM 528 CA GLU A 33 -7.086 -8.836 4.390 1.00 0.00 C ATOM 529 C GLU A 33 -7.322 -8.922 2.882 1.00 0.00 C ATOM 530 O GLU A 33 -8.074 -8.130 2.314 1.00 0.00 O ATOM 531 CB GLU A 33 -6.233 -7.607 4.717 1.00 0.00 C ATOM 532 CG GLU A 33 -6.967 -6.560 5.539 1.00 0.00 C ATOM 533 CD GLU A 33 -6.308 -5.197 5.469 1.00 0.00 C ATOM 534 OE1 GLU A 33 -5.389 -4.939 6.273 1.00 0.00 O ATOM 535 OE2 GLU A 33 -6.714 -4.386 4.610 1.00 0.00 O ATOM 0 H GLU A 33 -5.427 -9.984 4.969 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.053 -8.740 4.885 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.344 -7.926 5.261 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.892 -7.153 3.786 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.995 -6.481 5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.011 -6.885 6.578 1.00 0.00 H new ATOM 542 N ARG A 34 -6.678 -9.894 2.241 1.00 0.00 N ATOM 543 CA ARG A 34 -6.815 -10.095 0.806 1.00 0.00 C ATOM 544 C ARG A 34 -8.139 -10.775 0.489 1.00 0.00 C ATOM 545 O ARG A 34 -8.772 -10.482 -0.526 1.00 0.00 O ATOM 546 CB ARG A 34 -5.654 -10.940 0.276 1.00 0.00 C ATOM 547 CG ARG A 34 -5.683 -11.135 -1.231 1.00 0.00 C ATOM 548 CD ARG A 34 -5.324 -12.562 -1.619 1.00 0.00 C ATOM 549 NE ARG A 34 -6.400 -13.213 -2.362 1.00 0.00 N ATOM 550 CZ ARG A 34 -6.496 -14.530 -2.528 1.00 0.00 C ATOM 551 NH1 ARG A 34 -5.582 -15.339 -2.005 1.00 0.00 N ATOM 552 NH2 ARG A 34 -7.506 -15.038 -3.218 1.00 0.00 N ATOM 0 H ARG A 34 -6.053 -10.557 2.699 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.795 -9.121 0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.713 -10.465 0.555 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.675 -11.916 0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.676 -10.893 -1.611 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.985 -10.443 -1.701 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.417 -12.556 -2.224 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.104 -13.138 -0.720 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.121 -12.623 -2.778 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.802 -14.952 -1.473 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.660 -16.348 -2.135 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.210 -14.420 -3.622 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.580 -16.047 -3.346 1.00 0.00 H new ATOM 566 N ASN A 35 -8.560 -11.681 1.369 1.00 0.00 N ATOM 567 CA ASN A 35 -9.817 -12.392 1.184 1.00 0.00 C ATOM 568 C ASN A 35 -10.956 -11.398 1.007 1.00 0.00 C ATOM 569 O ASN A 35 -11.729 -11.478 0.052 1.00 0.00 O ATOM 570 CB ASN A 35 -10.100 -13.305 2.380 1.00 0.00 C ATOM 571 CG ASN A 35 -9.563 -14.708 2.178 1.00 0.00 C ATOM 572 OD1 ASN A 35 -10.322 -15.645 1.931 1.00 0.00 O ATOM 573 ND2 ASN A 35 -8.249 -14.862 2.289 1.00 0.00 N ATOM 0 H ASN A 35 -8.049 -11.938 2.214 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.738 -13.008 0.288 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.653 -12.874 3.276 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.175 -13.352 2.551 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.832 -15.785 2.168 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.657 -14.057 2.495 1.00 0.00 H new ATOM 580 N TYR A 36 -11.037 -10.447 1.932 1.00 0.00 N ATOM 581 CA TYR A 36 -12.060 -9.415 1.884 1.00 0.00 C ATOM 582 C TYR A 36 -11.614 -8.276 0.973 1.00 0.00 C ATOM 583 O TYR A 36 -12.414 -7.714 0.225 1.00 0.00 O ATOM 584 CB TYR A 36 -12.341 -8.881 3.289 1.00 0.00 C ATOM 585 CG TYR A 36 -12.508 -9.965 4.330 1.00 0.00 C ATOM 586 CD1 TYR A 36 -11.404 -10.544 4.944 1.00 0.00 C ATOM 587 CD2 TYR A 36 -13.771 -10.411 4.699 1.00 0.00 C ATOM 588 CE1 TYR A 36 -11.554 -11.536 5.896 1.00 0.00 C ATOM 589 CE2 TYR A 36 -13.929 -11.402 5.650 1.00 0.00 C ATOM 590 CZ TYR A 36 -12.819 -11.960 6.244 1.00 0.00 C ATOM 591 OH TYR A 36 -12.971 -12.946 7.192 1.00 0.00 O ATOM 0 H TYR A 36 -10.402 -10.372 2.727 1.00 0.00 H new ATOM 0 HA TYR A 36 -12.976 -9.850 1.484 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -11.524 -8.225 3.589 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -13.245 -8.273 3.263 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -10.412 -10.214 4.673 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -14.644 -9.976 4.235 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.686 -11.976 6.364 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -14.918 -11.737 5.926 1.00 0.00 H new ATOM 0 HH TYR A 36 -13.925 -13.129 7.324 1.00 0.00 H new ATOM 601 N ASP A 37 -10.321 -7.945 1.045 1.00 0.00 N ATOM 602 CA ASP A 37 -9.739 -6.876 0.231 1.00 0.00 C ATOM 603 C ASP A 37 -10.661 -5.664 0.172 1.00 0.00 C ATOM 604 O ASP A 37 -10.753 -4.991 -0.855 1.00 0.00 O ATOM 605 CB ASP A 37 -9.452 -7.380 -1.185 1.00 0.00 C ATOM 606 CG ASP A 37 -10.684 -7.954 -1.856 1.00 0.00 C ATOM 607 OD1 ASP A 37 -11.605 -7.174 -2.176 1.00 0.00 O ATOM 608 OD2 ASP A 37 -10.728 -9.186 -2.063 1.00 0.00 O ATOM 0 H ASP A 37 -9.654 -8.407 1.664 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.803 -6.573 0.700 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.063 -6.559 -1.788 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.675 -8.143 -1.145 1.00 0.00 H new ATOM 613 N GLY A 38 -11.350 -5.397 1.275 1.00 0.00 N ATOM 614 CA GLY A 38 -12.265 -4.274 1.315 1.00 0.00 C ATOM 615 C GLY A 38 -13.364 -4.413 0.283 1.00 0.00 C ATOM 616 O GLY A 38 -13.465 -5.443 -0.383 1.00 0.00 O ATOM 0 H GLY A 38 -11.291 -5.936 2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.706 -4.199 2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.715 -3.349 1.139 1.00 0.00 H new ATOM 620 N HIS A 39 -14.191 -3.385 0.144 1.00 0.00 N ATOM 621 CA HIS A 39 -15.273 -3.410 -0.806 1.00 0.00 C ATOM 622 C HIS A 39 -15.326 -2.037 -1.496 1.00 0.00 C ATOM 623 O HIS A 39 -15.183 -1.010 -0.838 1.00 0.00 O ATOM 624 CB HIS A 39 -16.560 -3.775 -0.049 1.00 0.00 C ATOM 625 CG HIS A 39 -17.169 -5.078 -0.464 1.00 0.00 C ATOM 626 ND1 HIS A 39 -16.483 -5.971 -1.242 1.00 0.00 N ATOM 627 CD2 HIS A 39 -18.388 -5.592 -0.168 1.00 0.00 C ATOM 628 CE1 HIS A 39 -17.288 -7.006 -1.405 1.00 0.00 C ATOM 629 NE2 HIS A 39 -18.456 -6.822 -0.771 1.00 0.00 N ATOM 0 H HIS A 39 -14.124 -2.523 0.685 1.00 0.00 H new ATOM 0 HA HIS A 39 -15.139 -4.158 -1.588 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -16.342 -3.813 1.018 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -17.292 -2.981 -0.197 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -19.157 -5.123 0.428 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -17.038 -7.888 -1.976 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -19.242 -7.471 -0.743 1.00 0.00 H new ATOM 637 N ILE A 40 -15.435 -2.019 -2.827 1.00 0.00 N ATOM 638 CA ILE A 40 -15.399 -0.754 -3.574 1.00 0.00 C ATOM 639 C ILE A 40 -14.034 -0.107 -3.326 1.00 0.00 C ATOM 640 O ILE A 40 -13.863 1.112 -3.334 1.00 0.00 O ATOM 641 CB ILE A 40 -16.564 0.196 -3.176 1.00 0.00 C ATOM 642 CG1 ILE A 40 -17.215 0.793 -4.429 1.00 0.00 C ATOM 643 CG2 ILE A 40 -16.124 1.307 -2.224 1.00 0.00 C ATOM 644 CD1 ILE A 40 -16.232 1.432 -5.386 1.00 0.00 C ATOM 0 H ILE A 40 -15.547 -2.852 -3.405 1.00 0.00 H new ATOM 0 HA ILE A 40 -15.534 -0.952 -4.637 1.00 0.00 H new ATOM 0 HB ILE A 40 -17.295 -0.408 -2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -17.759 0.007 -4.953 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -17.948 1.540 -4.125 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -16.979 1.938 -1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -15.727 0.866 -1.309 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -15.352 1.910 -2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -16.769 1.831 -6.247 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -15.705 2.241 -4.880 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -15.513 0.685 -5.722 1.00 0.00 H new ATOM 656 N ALA A 41 -13.078 -0.994 -3.094 1.00 0.00 N ATOM 657 CA ALA A 41 -11.693 -0.665 -2.806 1.00 0.00 C ATOM 658 C ALA A 41 -10.757 -1.660 -3.489 1.00 0.00 C ATOM 659 O ALA A 41 -11.088 -2.834 -3.642 1.00 0.00 O ATOM 660 CB ALA A 41 -11.456 -0.650 -1.304 1.00 0.00 C ATOM 0 H ALA A 41 -13.253 -1.999 -3.102 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.481 0.330 -3.198 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.414 -0.402 -1.103 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.102 0.096 -0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.682 -1.633 -0.890 1.00 0.00 H new ATOM 666 N GLY A 42 -9.609 -1.181 -3.940 1.00 0.00 N ATOM 667 CA GLY A 42 -8.657 -2.045 -4.609 1.00 0.00 C ATOM 668 C GLY A 42 -7.472 -2.401 -3.733 1.00 0.00 C ATOM 669 O GLY A 42 -7.617 -3.128 -2.750 1.00 0.00 O ATOM 0 H GLY A 42 -9.318 -0.207 -3.855 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.160 -2.960 -4.921 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.300 -1.553 -5.514 1.00 0.00 H new ATOM 673 N SER A 43 -6.294 -1.901 -4.093 1.00 0.00 N ATOM 674 CA SER A 43 -5.079 -2.182 -3.336 1.00 0.00 C ATOM 675 C SER A 43 -4.706 -3.659 -3.448 1.00 0.00 C ATOM 676 O SER A 43 -5.573 -4.532 -3.417 1.00 0.00 O ATOM 677 CB SER A 43 -5.257 -1.791 -1.864 1.00 0.00 C ATOM 678 OG SER A 43 -5.804 -2.859 -1.112 1.00 0.00 O ATOM 0 H SER A 43 -6.155 -1.299 -4.905 1.00 0.00 H new ATOM 0 HA SER A 43 -4.270 -1.586 -3.758 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.294 -1.502 -1.443 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.910 -0.921 -1.793 1.00 0.00 H new ATOM 0 HG SER A 43 -6.300 -3.458 -1.708 1.00 0.00 H new ATOM 684 N LEU A 44 -3.411 -3.931 -3.586 1.00 0.00 N ATOM 685 CA LEU A 44 -2.928 -5.304 -3.715 1.00 0.00 C ATOM 686 C LEU A 44 -2.617 -5.913 -2.349 1.00 0.00 C ATOM 687 O LEU A 44 -1.674 -5.502 -1.677 1.00 0.00 O ATOM 688 CB LEU A 44 -1.677 -5.342 -4.594 1.00 0.00 C ATOM 689 CG LEU A 44 -1.780 -4.557 -5.902 1.00 0.00 C ATOM 690 CD1 LEU A 44 -0.395 -4.157 -6.392 1.00 0.00 C ATOM 691 CD2 LEU A 44 -2.506 -5.376 -6.960 1.00 0.00 C ATOM 0 H LEU A 44 -2.679 -3.221 -3.611 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.717 -5.894 -4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.836 -4.953 -4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.448 -6.381 -4.829 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.355 -3.650 -5.716 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.486 -3.599 -7.324 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.090 -3.533 -5.641 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.203 -5.052 -6.562 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.570 -4.802 -7.884 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.958 -6.300 -7.144 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.511 -5.614 -6.610 1.00 0.00 H new ATOM 703 N HIS A 45 -3.415 -6.899 -1.948 1.00 0.00 N ATOM 704 CA HIS A 45 -3.219 -7.567 -0.665 1.00 0.00 C ATOM 705 C HIS A 45 -2.464 -8.880 -0.844 1.00 0.00 C ATOM 706 O HIS A 45 -2.630 -9.565 -1.854 1.00 0.00 O ATOM 707 CB HIS A 45 -4.568 -7.839 0.004 1.00 0.00 C ATOM 708 CG HIS A 45 -5.532 -6.698 -0.090 1.00 0.00 C ATOM 709 ND1 HIS A 45 -5.984 -6.003 1.010 1.00 0.00 N ATOM 710 CD2 HIS A 45 -6.134 -6.134 -1.164 1.00 0.00 C ATOM 711 CE1 HIS A 45 -6.825 -5.061 0.619 1.00 0.00 C ATOM 712 NE2 HIS A 45 -6.932 -5.120 -0.696 1.00 0.00 N ATOM 0 H HIS A 45 -4.202 -7.253 -2.492 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.628 -6.907 -0.030 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.018 -8.721 -0.453 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.400 -8.075 1.055 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -5.712 -6.187 1.976 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.009 -6.427 -2.196 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.337 -4.363 1.264 1.00 0.00 H new ATOM 721 N TYR A 46 -1.638 -9.233 0.139 1.00 0.00 N ATOM 722 CA TYR A 46 -0.871 -10.474 0.076 1.00 0.00 C ATOM 723 C TYR A 46 -0.422 -10.924 1.469 1.00 0.00 C ATOM 724 O TYR A 46 -0.620 -10.216 2.458 1.00 0.00 O ATOM 725 CB TYR A 46 0.329 -10.310 -0.860 1.00 0.00 C ATOM 726 CG TYR A 46 1.507 -9.585 -0.249 1.00 0.00 C ATOM 727 CD1 TYR A 46 1.448 -8.224 0.032 1.00 0.00 C ATOM 728 CD2 TYR A 46 2.682 -10.264 0.035 1.00 0.00 C ATOM 729 CE1 TYR A 46 2.533 -7.565 0.579 1.00 0.00 C ATOM 730 CE2 TYR A 46 3.767 -9.613 0.584 1.00 0.00 C ATOM 731 CZ TYR A 46 3.688 -8.264 0.854 1.00 0.00 C ATOM 732 OH TYR A 46 4.769 -7.611 1.398 1.00 0.00 O ATOM 0 H TYR A 46 -1.484 -8.681 0.983 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.519 -11.253 -0.325 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.656 -11.297 -1.187 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.008 -9.769 -1.750 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.542 -7.675 -0.180 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.749 -11.321 -0.177 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.476 -6.507 0.790 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.674 -10.158 0.801 1.00 0.00 H new ATOM 0 HH TYR A 46 5.502 -8.247 1.532 1.00 0.00 H new ATOM 742 N ALA A 47 0.169 -12.118 1.538 1.00 0.00 N ATOM 743 CA ALA A 47 0.626 -12.674 2.808 1.00 0.00 C ATOM 744 C ALA A 47 2.078 -12.328 3.101 1.00 0.00 C ATOM 745 O ALA A 47 2.369 -11.384 3.838 1.00 0.00 O ATOM 746 CB ALA A 47 0.456 -14.191 2.821 1.00 0.00 C ATOM 0 H ALA A 47 0.341 -12.716 0.730 1.00 0.00 H new ATOM 0 HA ALA A 47 0.009 -12.225 3.587 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.802 -14.588 3.775 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.596 -14.440 2.684 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.041 -14.630 2.012 1.00 0.00 H new ATOM 752 N SER A 48 2.985 -13.124 2.541 1.00 0.00 N ATOM 753 CA SER A 48 4.416 -12.947 2.756 1.00 0.00 C ATOM 754 C SER A 48 5.197 -14.153 2.269 1.00 0.00 C ATOM 755 O SER A 48 6.387 -14.057 1.973 1.00 0.00 O ATOM 756 CB SER A 48 4.707 -12.687 4.241 1.00 0.00 C ATOM 757 OG SER A 48 3.639 -13.124 5.064 1.00 0.00 O ATOM 0 H SER A 48 2.749 -13.905 1.929 1.00 0.00 H new ATOM 0 HA SER A 48 4.738 -12.081 2.178 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.624 -13.202 4.529 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.877 -11.622 4.399 1.00 0.00 H new ATOM 0 HG SER A 48 4.000 -13.542 5.874 1.00 0.00 H new ATOM 763 N GLY A 49 4.523 -15.283 2.206 1.00 0.00 N ATOM 764 CA GLY A 49 5.156 -16.519 1.768 1.00 0.00 C ATOM 765 C GLY A 49 6.544 -16.684 2.359 1.00 0.00 C ATOM 766 O GLY A 49 7.417 -17.296 1.746 1.00 0.00 O ATOM 0 H GLY A 49 3.537 -15.375 2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.535 -17.367 2.057 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.221 -16.528 0.680 1.00 0.00 H new ATOM 770 N SER A 50 6.723 -16.108 3.554 1.00 0.00 N ATOM 771 CA SER A 50 7.987 -16.123 4.300 1.00 0.00 C ATOM 772 C SER A 50 8.365 -14.706 4.725 1.00 0.00 C ATOM 773 O SER A 50 9.312 -14.518 5.488 1.00 0.00 O ATOM 774 CB SER A 50 9.145 -16.730 3.502 1.00 0.00 C ATOM 775 OG SER A 50 9.519 -15.884 2.434 1.00 0.00 O ATOM 0 H SER A 50 5.978 -15.608 4.039 1.00 0.00 H new ATOM 0 HA SER A 50 7.821 -16.754 5.174 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.999 -16.892 4.159 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.852 -17.705 3.113 1.00 0.00 H new ATOM 0 HG SER A 50 10.495 -15.874 2.351 1.00 0.00 H new ATOM 781 N PHE A 51 7.629 -13.705 4.213 1.00 0.00 N ATOM 782 CA PHE A 51 7.890 -12.301 4.527 1.00 0.00 C ATOM 783 C PHE A 51 9.067 -11.775 3.714 1.00 0.00 C ATOM 784 O PHE A 51 9.195 -10.570 3.503 1.00 0.00 O ATOM 785 CB PHE A 51 8.147 -12.092 6.030 1.00 0.00 C ATOM 786 CG PHE A 51 6.931 -12.286 6.897 1.00 0.00 C ATOM 787 CD1 PHE A 51 6.212 -13.471 6.862 1.00 0.00 C ATOM 788 CD2 PHE A 51 6.507 -11.278 7.751 1.00 0.00 C ATOM 789 CE1 PHE A 51 5.098 -13.647 7.660 1.00 0.00 C ATOM 790 CE2 PHE A 51 5.394 -11.449 8.551 1.00 0.00 C ATOM 791 CZ PHE A 51 4.688 -12.634 8.506 1.00 0.00 C ATOM 0 H PHE A 51 6.845 -13.850 3.577 1.00 0.00 H new ATOM 0 HA PHE A 51 6.996 -11.738 4.259 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.924 -12.784 6.354 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.533 -11.084 6.185 1.00 0.00 H new ATOM 0 HD1 PHE A 51 6.527 -14.266 6.203 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.054 -10.348 7.791 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.548 -14.576 7.623 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.076 -10.656 9.211 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.817 -12.769 9.130 1.00 0.00 H new ATOM 801 N ASP A 52 9.918 -12.683 3.248 1.00 0.00 N ATOM 802 CA ASP A 52 11.072 -12.314 2.447 1.00 0.00 C ATOM 803 C ASP A 52 11.001 -12.990 1.078 1.00 0.00 C ATOM 804 O ASP A 52 11.892 -12.830 0.244 1.00 0.00 O ATOM 805 CB ASP A 52 12.362 -12.705 3.181 1.00 0.00 C ATOM 806 CG ASP A 52 13.588 -12.710 2.284 1.00 0.00 C ATOM 807 OD1 ASP A 52 13.900 -11.654 1.696 1.00 0.00 O ATOM 808 OD2 ASP A 52 14.234 -13.774 2.170 1.00 0.00 O ATOM 0 H ASP A 52 9.826 -13.685 3.415 1.00 0.00 H new ATOM 0 HA ASP A 52 11.073 -11.235 2.295 1.00 0.00 H new ATOM 0 HB2 ASP A 52 12.527 -12.011 4.005 1.00 0.00 H new ATOM 0 HB3 ASP A 52 12.237 -13.696 3.618 1.00 0.00 H new ATOM 813 N ASP A 53 9.925 -13.734 0.850 1.00 0.00 N ATOM 814 CA ASP A 53 9.729 -14.419 -0.412 1.00 0.00 C ATOM 815 C ASP A 53 8.759 -13.644 -1.299 1.00 0.00 C ATOM 816 O ASP A 53 8.450 -14.076 -2.409 1.00 0.00 O ATOM 817 CB ASP A 53 9.198 -15.836 -0.162 1.00 0.00 C ATOM 818 CG ASP A 53 8.884 -16.579 -1.448 1.00 0.00 C ATOM 819 OD1 ASP A 53 9.832 -17.070 -2.096 1.00 0.00 O ATOM 820 OD2 ASP A 53 7.691 -16.669 -1.807 1.00 0.00 O ATOM 0 H ASP A 53 9.176 -13.875 1.528 1.00 0.00 H new ATOM 0 HA ASP A 53 10.689 -14.483 -0.925 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.936 -16.401 0.408 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.297 -15.780 0.449 1.00 0.00 H new ATOM 825 N LYS A 54 8.261 -12.505 -0.809 1.00 0.00 N ATOM 826 CA LYS A 54 7.310 -11.717 -1.592 1.00 0.00 C ATOM 827 C LYS A 54 7.888 -10.384 -2.076 1.00 0.00 C ATOM 828 O LYS A 54 7.271 -9.705 -2.896 1.00 0.00 O ATOM 829 CB LYS A 54 6.041 -11.477 -0.775 1.00 0.00 C ATOM 830 CG LYS A 54 5.198 -12.729 -0.602 1.00 0.00 C ATOM 831 CD LYS A 54 4.838 -13.342 -1.944 1.00 0.00 C ATOM 832 CE LYS A 54 3.708 -14.350 -1.813 1.00 0.00 C ATOM 833 NZ LYS A 54 3.739 -15.365 -2.901 1.00 0.00 N ATOM 0 H LYS A 54 8.494 -12.116 0.105 1.00 0.00 H new ATOM 0 HA LYS A 54 7.076 -12.296 -2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.316 -11.093 0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.442 -10.708 -1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.744 -13.457 -0.002 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.287 -12.484 -0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.545 -12.554 -2.638 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.715 -13.831 -2.369 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.779 -14.851 -0.847 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.752 -13.827 -1.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.952 -16.033 -2.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.646 -14.890 -3.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.641 -15.882 -2.868 1.00 0.00 H new ATOM 847 N ILE A 55 9.061 -10.003 -1.578 1.00 0.00 N ATOM 848 CA ILE A 55 9.677 -8.742 -1.985 1.00 0.00 C ATOM 849 C ILE A 55 10.804 -8.957 -3.006 1.00 0.00 C ATOM 850 O ILE A 55 11.250 -8.009 -3.653 1.00 0.00 O ATOM 851 CB ILE A 55 10.210 -7.967 -0.767 1.00 0.00 C ATOM 852 CG1 ILE A 55 9.119 -7.836 0.297 1.00 0.00 C ATOM 853 CG2 ILE A 55 10.733 -6.599 -1.174 1.00 0.00 C ATOM 854 CD1 ILE A 55 9.234 -8.863 1.401 1.00 0.00 C ATOM 0 H ILE A 55 9.600 -10.542 -0.900 1.00 0.00 H new ATOM 0 HA ILE A 55 8.897 -8.151 -2.465 1.00 0.00 H new ATOM 0 HB ILE A 55 11.043 -8.528 -0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.164 -6.838 0.733 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.143 -7.932 -0.179 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.103 -6.074 -0.293 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.544 -6.718 -1.893 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.928 -6.022 -1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.430 -8.714 2.122 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.159 -9.864 0.976 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.196 -8.752 1.902 1.00 0.00 H new ATOM 866 N SER A 56 11.229 -10.211 -3.175 1.00 0.00 N ATOM 867 CA SER A 56 12.272 -10.558 -4.155 1.00 0.00 C ATOM 868 C SER A 56 11.586 -10.755 -5.463 1.00 0.00 C ATOM 869 O SER A 56 12.084 -10.449 -6.544 1.00 0.00 O ATOM 870 CB SER A 56 13.012 -11.847 -3.767 1.00 0.00 C ATOM 871 OG SER A 56 14.177 -11.579 -3.006 1.00 0.00 O ATOM 0 H SER A 56 10.869 -11.007 -2.648 1.00 0.00 H new ATOM 0 HA SER A 56 13.015 -9.762 -4.199 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.344 -12.490 -3.194 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.286 -12.394 -4.669 1.00 0.00 H new ATOM 0 HG SER A 56 13.923 -11.352 -2.087 1.00 0.00 H new ATOM 877 N HIS A 57 10.405 -11.242 -5.285 1.00 0.00 N ATOM 878 CA HIS A 57 9.471 -11.509 -6.323 1.00 0.00 C ATOM 879 C HIS A 57 9.004 -10.179 -6.898 1.00 0.00 C ATOM 880 O HIS A 57 9.088 -9.928 -8.103 1.00 0.00 O ATOM 881 CB HIS A 57 8.342 -12.259 -5.645 1.00 0.00 C ATOM 882 CG HIS A 57 7.225 -12.665 -6.554 1.00 0.00 C ATOM 883 ND1 HIS A 57 7.230 -12.417 -7.910 1.00 0.00 N ATOM 884 CD2 HIS A 57 6.061 -13.307 -6.295 1.00 0.00 C ATOM 885 CE1 HIS A 57 6.117 -12.886 -8.445 1.00 0.00 C ATOM 886 NE2 HIS A 57 5.391 -13.432 -7.486 1.00 0.00 N ATOM 0 H HIS A 57 10.047 -11.477 -4.359 1.00 0.00 H new ATOM 0 HA HIS A 57 9.878 -12.093 -7.148 1.00 0.00 H new ATOM 0 HB2 HIS A 57 8.750 -13.152 -5.172 1.00 0.00 H new ATOM 0 HB3 HIS A 57 7.936 -11.635 -4.849 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.723 -13.656 -5.330 1.00 0.00 H new ATOM 0 HE1 HIS A 57 5.847 -12.832 -9.489 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.480 -13.875 -7.611 1.00 0.00 H new ATOM 895 N LEU A 58 8.577 -9.306 -5.989 1.00 0.00 N ATOM 896 CA LEU A 58 8.152 -7.968 -6.357 1.00 0.00 C ATOM 897 C LEU A 58 9.344 -7.245 -6.958 1.00 0.00 C ATOM 898 O LEU A 58 9.209 -6.419 -7.860 1.00 0.00 O ATOM 899 CB LEU A 58 7.625 -7.218 -5.132 1.00 0.00 C ATOM 900 CG LEU A 58 6.263 -7.691 -4.621 1.00 0.00 C ATOM 901 CD1 LEU A 58 6.038 -7.222 -3.192 1.00 0.00 C ATOM 902 CD2 LEU A 58 5.149 -7.192 -5.529 1.00 0.00 C ATOM 0 H LEU A 58 8.518 -9.507 -4.991 1.00 0.00 H new ATOM 0 HA LEU A 58 7.342 -8.017 -7.084 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.352 -7.314 -4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.557 -6.158 -5.375 1.00 0.00 H new ATOM 0 HG LEU A 58 6.251 -8.781 -4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.064 -7.567 -2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.818 -7.629 -2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.070 -6.133 -3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.188 -7.538 -5.150 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.159 -6.102 -5.552 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.301 -7.577 -6.537 1.00 0.00 H new ATOM 914 N VAL A 59 10.523 -7.614 -6.465 1.00 0.00 N ATOM 915 CA VAL A 59 11.771 -7.068 -6.954 1.00 0.00 C ATOM 916 C VAL A 59 12.005 -7.564 -8.378 1.00 0.00 C ATOM 917 O VAL A 59 12.523 -6.841 -9.229 1.00 0.00 O ATOM 918 CB VAL A 59 12.943 -7.486 -6.031 1.00 0.00 C ATOM 919 CG1 VAL A 59 14.082 -8.121 -6.814 1.00 0.00 C ATOM 920 CG2 VAL A 59 13.437 -6.300 -5.218 1.00 0.00 C ATOM 0 H VAL A 59 10.633 -8.299 -5.717 1.00 0.00 H new ATOM 0 HA VAL A 59 11.718 -5.979 -6.954 1.00 0.00 H new ATOM 0 HB VAL A 59 12.564 -8.242 -5.343 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.883 -8.399 -6.129 1.00 0.00 H new ATOM 0 HG12 VAL A 59 13.718 -9.011 -7.328 1.00 0.00 H new ATOM 0 HG13 VAL A 59 14.462 -7.408 -7.546 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.260 -6.616 -4.577 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.782 -5.516 -5.892 1.00 0.00 H new ATOM 0 HG23 VAL A 59 12.623 -5.917 -4.602 1.00 0.00 H new ATOM 930 N GLN A 60 11.607 -8.814 -8.619 1.00 0.00 N ATOM 931 CA GLN A 60 11.755 -9.435 -9.930 1.00 0.00 C ATOM 932 C GLN A 60 10.852 -8.781 -10.960 1.00 0.00 C ATOM 933 O GLN A 60 10.986 -9.024 -12.159 1.00 0.00 O ATOM 934 CB GLN A 60 11.447 -10.931 -9.852 1.00 0.00 C ATOM 935 CG GLN A 60 12.433 -11.702 -8.997 1.00 0.00 C ATOM 936 CD GLN A 60 13.374 -12.561 -9.818 1.00 0.00 C ATOM 937 OE1 GLN A 60 12.943 -13.326 -10.681 1.00 0.00 O ATOM 938 NE2 GLN A 60 14.670 -12.440 -9.554 1.00 0.00 N ATOM 0 H GLN A 60 11.178 -9.417 -7.917 1.00 0.00 H new ATOM 0 HA GLN A 60 12.790 -9.295 -10.243 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.443 -11.068 -9.450 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.446 -11.348 -10.859 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.016 -11.001 -8.400 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.885 -12.335 -8.300 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.985 -11.794 -8.830 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.350 -12.993 -10.075 1.00 0.00 H new ATOM 947 N ASN A 61 9.927 -7.961 -10.492 1.00 0.00 N ATOM 948 CA ASN A 61 9.000 -7.290 -11.387 1.00 0.00 C ATOM 949 C ASN A 61 9.706 -6.257 -12.267 1.00 0.00 C ATOM 950 O ASN A 61 9.304 -6.035 -13.410 1.00 0.00 O ATOM 951 CB ASN A 61 7.886 -6.640 -10.576 1.00 0.00 C ATOM 952 CG ASN A 61 7.005 -7.670 -9.890 1.00 0.00 C ATOM 953 OD1 ASN A 61 7.576 -8.828 -9.540 1.00 0.00 O flip ATOM 954 ND2 ASN A 61 5.817 -7.432 -9.676 1.00 0.00 N flip ATOM 0 H ASN A 61 9.798 -7.745 -9.504 1.00 0.00 H new ATOM 0 HA ASN A 61 8.570 -8.036 -12.055 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.322 -5.979 -9.827 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.275 -6.020 -11.232 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.417 -6.537 -9.958 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.232 -8.130 -9.217 1.00 0.00 H new ATOM 961 N VAL A 62 10.751 -5.622 -11.732 1.00 0.00 N ATOM 962 CA VAL A 62 11.508 -4.609 -12.472 1.00 0.00 C ATOM 963 C VAL A 62 10.564 -3.640 -13.175 1.00 0.00 C ATOM 964 O VAL A 62 10.550 -3.529 -14.401 1.00 0.00 O ATOM 965 CB VAL A 62 12.478 -5.242 -13.496 1.00 0.00 C ATOM 966 CG1 VAL A 62 11.737 -6.142 -14.474 1.00 0.00 C ATOM 967 CG2 VAL A 62 13.261 -4.167 -14.238 1.00 0.00 C ATOM 0 H VAL A 62 11.093 -5.792 -10.786 1.00 0.00 H new ATOM 0 HA VAL A 62 12.107 -4.061 -11.744 1.00 0.00 H new ATOM 0 HB VAL A 62 13.186 -5.860 -12.944 1.00 0.00 H new ATOM 0 HG11 VAL A 62 12.446 -6.572 -15.181 1.00 0.00 H new ATOM 0 HG12 VAL A 62 11.239 -6.943 -13.926 1.00 0.00 H new ATOM 0 HG13 VAL A 62 10.994 -5.557 -15.016 1.00 0.00 H new ATOM 0 HG21 VAL A 62 13.937 -4.637 -14.953 1.00 0.00 H new ATOM 0 HG22 VAL A 62 12.569 -3.514 -14.769 1.00 0.00 H new ATOM 0 HG23 VAL A 62 13.839 -3.580 -13.524 1.00 0.00 H new ATOM 977 N LYS A 63 9.770 -2.950 -12.371 1.00 0.00 N ATOM 978 CA LYS A 63 8.794 -1.984 -12.884 1.00 0.00 C ATOM 979 C LYS A 63 9.450 -0.652 -13.240 1.00 0.00 C ATOM 980 O LYS A 63 9.667 -0.352 -14.414 1.00 0.00 O ATOM 981 CB LYS A 63 7.660 -1.746 -11.870 1.00 0.00 C ATOM 982 CG LYS A 63 7.802 -2.518 -10.565 1.00 0.00 C ATOM 983 CD LYS A 63 8.864 -1.899 -9.663 1.00 0.00 C ATOM 984 CE LYS A 63 9.577 -2.955 -8.832 1.00 0.00 C ATOM 985 NZ LYS A 63 10.969 -3.189 -9.310 1.00 0.00 N ATOM 0 H LYS A 63 9.778 -3.037 -11.355 1.00 0.00 H new ATOM 0 HA LYS A 63 8.373 -2.415 -13.792 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.611 -0.681 -11.643 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.712 -2.016 -12.335 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.845 -2.534 -10.044 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.065 -3.554 -10.780 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.591 -1.362 -10.272 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.399 -1.167 -9.002 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.599 -2.642 -7.788 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.017 -3.889 -8.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.061 -4.170 -9.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.182 -2.536 -10.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.636 -3.024 -8.530 1.00 0.00 H new ATOM 999 N ASP A 64 9.744 0.150 -12.216 1.00 0.00 N ATOM 1000 CA ASP A 64 10.356 1.468 -12.404 1.00 0.00 C ATOM 1001 C ASP A 64 9.294 2.506 -12.756 1.00 0.00 C ATOM 1002 O ASP A 64 9.582 3.507 -13.411 1.00 0.00 O ATOM 1003 CB ASP A 64 11.426 1.426 -13.500 1.00 0.00 C ATOM 1004 CG ASP A 64 12.689 2.171 -13.111 1.00 0.00 C ATOM 1005 OD1 ASP A 64 12.596 3.110 -12.292 1.00 0.00 O ATOM 1006 OD2 ASP A 64 13.769 1.816 -13.628 1.00 0.00 O ATOM 0 H ASP A 64 9.567 -0.092 -11.241 1.00 0.00 H new ATOM 0 HA ASP A 64 10.833 1.751 -11.466 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.674 0.388 -13.721 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.021 1.858 -14.415 1.00 0.00 H new ATOM 1011 N LYS A 65 8.063 2.249 -12.323 1.00 0.00 N ATOM 1012 CA LYS A 65 6.945 3.150 -12.596 1.00 0.00 C ATOM 1013 C LYS A 65 6.039 3.336 -11.395 1.00 0.00 C ATOM 1014 O LYS A 65 5.737 4.462 -10.999 1.00 0.00 O ATOM 1015 CB LYS A 65 6.092 2.615 -13.752 1.00 0.00 C ATOM 1016 CG LYS A 65 6.109 1.103 -13.904 1.00 0.00 C ATOM 1017 CD LYS A 65 7.167 0.651 -14.896 1.00 0.00 C ATOM 1018 CE LYS A 65 6.657 0.729 -16.327 1.00 0.00 C ATOM 1019 NZ LYS A 65 5.342 0.050 -16.488 1.00 0.00 N ATOM 0 H LYS A 65 7.813 1.422 -11.780 1.00 0.00 H new ATOM 0 HA LYS A 65 7.389 4.112 -12.853 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.062 2.941 -13.607 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.441 3.064 -14.682 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.298 0.642 -12.935 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.129 0.759 -14.235 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.056 1.273 -14.791 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.466 -0.373 -14.670 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.564 1.774 -16.622 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.385 0.272 -16.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.321 -0.455 -17.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.204 -0.629 -15.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.581 0.758 -16.468 1.00 0.00 H new ATOM 1033 N ASP A 66 5.528 2.226 -10.904 1.00 0.00 N ATOM 1034 CA ASP A 66 4.517 2.226 -9.855 1.00 0.00 C ATOM 1035 C ASP A 66 4.999 2.425 -8.442 1.00 0.00 C ATOM 1036 O ASP A 66 5.723 1.619 -7.873 1.00 0.00 O ATOM 1037 CB ASP A 66 3.785 0.891 -9.906 1.00 0.00 C ATOM 1038 CG ASP A 66 4.613 -0.264 -9.369 1.00 0.00 C ATOM 1039 OD1 ASP A 66 5.426 -0.818 -10.137 1.00 0.00 O ATOM 1040 OD2 ASP A 66 4.446 -0.613 -8.181 1.00 0.00 O ATOM 0 H ASP A 66 5.799 1.294 -11.218 1.00 0.00 H new ATOM 0 HA ASP A 66 3.895 3.094 -10.070 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.862 0.967 -9.331 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.501 0.678 -10.937 1.00 0.00 H new ATOM 1045 N THR A 67 4.470 3.491 -7.863 1.00 0.00 N ATOM 1046 CA THR A 67 4.710 3.823 -6.486 1.00 0.00 C ATOM 1047 C THR A 67 3.474 3.397 -5.719 1.00 0.00 C ATOM 1048 O THR A 67 2.360 3.750 -6.107 1.00 0.00 O ATOM 1049 CB THR A 67 4.934 5.334 -6.329 1.00 0.00 C ATOM 1050 OG1 THR A 67 3.751 5.984 -5.895 1.00 0.00 O ATOM 1051 CG2 THR A 67 5.378 6.017 -7.606 1.00 0.00 C ATOM 0 H THR A 67 3.859 4.149 -8.347 1.00 0.00 H new ATOM 0 HA THR A 67 5.602 3.320 -6.113 1.00 0.00 H new ATOM 0 HB THR A 67 5.730 5.420 -5.589 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.958 6.567 -5.135 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.517 7.082 -7.420 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.319 5.582 -7.943 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.618 5.879 -8.375 1.00 0.00 H new ATOM 1059 N LEU A 68 3.642 2.640 -4.652 1.00 0.00 N ATOM 1060 CA LEU A 68 2.485 2.193 -3.896 1.00 0.00 C ATOM 1061 C LEU A 68 2.513 2.721 -2.484 1.00 0.00 C ATOM 1062 O LEU A 68 3.558 2.762 -1.837 1.00 0.00 O ATOM 1063 CB LEU A 68 2.352 0.656 -3.850 1.00 0.00 C ATOM 1064 CG LEU A 68 2.180 -0.092 -5.192 1.00 0.00 C ATOM 1065 CD1 LEU A 68 0.904 -0.919 -5.181 1.00 0.00 C ATOM 1066 CD2 LEU A 68 2.179 0.856 -6.381 1.00 0.00 C ATOM 0 H LEU A 68 4.544 2.327 -4.294 1.00 0.00 H new ATOM 0 HA LEU A 68 1.620 2.594 -4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.238 0.258 -3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.498 0.412 -3.219 1.00 0.00 H new ATOM 0 HG LEU A 68 3.038 -0.755 -5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.799 -1.439 -6.133 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.950 -1.649 -4.373 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.047 -0.263 -5.029 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.056 0.285 -7.301 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.357 1.565 -6.281 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.124 1.399 -6.415 1.00 0.00 H new ATOM 1078 N VAL A 69 1.341 3.078 -1.997 1.00 0.00 N ATOM 1079 CA VAL A 69 1.202 3.552 -0.642 1.00 0.00 C ATOM 1080 C VAL A 69 0.656 2.395 0.163 1.00 0.00 C ATOM 1081 O VAL A 69 -0.314 1.765 -0.246 1.00 0.00 O ATOM 1082 CB VAL A 69 0.251 4.772 -0.549 1.00 0.00 C ATOM 1083 CG1 VAL A 69 -0.926 4.617 -1.501 1.00 0.00 C ATOM 1084 CG2 VAL A 69 -0.243 4.972 0.875 1.00 0.00 C ATOM 0 H VAL A 69 0.469 3.047 -2.526 1.00 0.00 H new ATOM 0 HA VAL A 69 2.166 3.889 -0.261 1.00 0.00 H new ATOM 0 HB VAL A 69 0.817 5.656 -0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.579 5.486 -1.417 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.558 4.537 -2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.485 3.717 -1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.908 5.835 0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.783 4.083 1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.608 5.142 1.535 1.00 0.00 H new ATOM 1094 N PHE A 70 1.285 2.082 1.281 1.00 0.00 N ATOM 1095 CA PHE A 70 0.835 0.945 2.059 1.00 0.00 C ATOM 1096 C PHE A 70 -0.032 1.400 3.202 1.00 0.00 C ATOM 1097 O PHE A 70 0.055 2.543 3.648 1.00 0.00 O ATOM 1098 CB PHE A 70 2.034 0.139 2.583 1.00 0.00 C ATOM 1099 CG PHE A 70 2.653 0.672 3.850 1.00 0.00 C ATOM 1100 CD1 PHE A 70 2.728 2.035 4.090 1.00 0.00 C ATOM 1101 CD2 PHE A 70 3.166 -0.198 4.799 1.00 0.00 C ATOM 1102 CE1 PHE A 70 3.303 2.517 5.249 1.00 0.00 C ATOM 1103 CE2 PHE A 70 3.741 0.281 5.961 1.00 0.00 C ATOM 1104 CZ PHE A 70 3.809 1.640 6.185 1.00 0.00 C ATOM 0 H PHE A 70 2.087 2.584 1.662 1.00 0.00 H new ATOM 0 HA PHE A 70 0.243 0.298 1.411 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.714 -0.889 2.757 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.799 0.108 1.807 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.332 2.728 3.362 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.116 -1.263 4.628 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.356 3.582 5.423 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.136 -0.408 6.693 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.258 2.017 7.092 1.00 0.00 H new ATOM 1114 N HIS A 71 -0.897 0.510 3.650 1.00 0.00 N ATOM 1115 CA HIS A 71 -1.811 0.861 4.726 1.00 0.00 C ATOM 1116 C HIS A 71 -2.017 -0.278 5.716 1.00 0.00 C ATOM 1117 O HIS A 71 -1.522 -1.389 5.525 1.00 0.00 O ATOM 1118 CB HIS A 71 -3.148 1.315 4.134 1.00 0.00 C ATOM 1119 CG HIS A 71 -4.059 0.188 3.745 1.00 0.00 C ATOM 1120 ND1 HIS A 71 -5.420 0.337 3.583 1.00 0.00 N ATOM 1121 CD2 HIS A 71 -3.793 -1.114 3.476 1.00 0.00 C ATOM 1122 CE1 HIS A 71 -5.951 -0.821 3.235 1.00 0.00 C ATOM 1123 NE2 HIS A 71 -4.986 -1.717 3.161 1.00 0.00 N ATOM 0 H HIS A 71 -0.988 -0.442 3.296 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.362 1.679 5.289 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.659 1.947 4.860 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.954 1.931 3.256 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.823 -1.589 3.504 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -6.998 -1.003 3.043 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -5.106 -2.698 2.910 1.00 0.00 H new ATOM 1132 N SER A 72 -2.758 0.023 6.781 1.00 0.00 N ATOM 1133 CA SER A 72 -3.049 -0.953 7.830 1.00 0.00 C ATOM 1134 C SER A 72 -3.652 -0.264 9.052 1.00 0.00 C ATOM 1135 O SER A 72 -4.564 -0.792 9.689 1.00 0.00 O ATOM 1136 CB SER A 72 -1.778 -1.709 8.231 1.00 0.00 C ATOM 1137 OG SER A 72 -1.828 -3.057 7.793 1.00 0.00 O ATOM 0 H SER A 72 -3.171 0.942 6.941 1.00 0.00 H new ATOM 0 HA SER A 72 -3.773 -1.667 7.437 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.906 -1.215 7.801 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.659 -1.679 9.314 1.00 0.00 H new ATOM 0 HG SER A 72 -1.795 -3.084 6.814 1.00 0.00 H new ATOM 1143 N ALA A 73 -3.135 0.919 9.372 1.00 0.00 N ATOM 1144 CA ALA A 73 -3.620 1.685 10.515 1.00 0.00 C ATOM 1145 C ALA A 73 -3.602 3.184 10.217 1.00 0.00 C ATOM 1146 O ALA A 73 -4.610 3.751 9.796 1.00 0.00 O ATOM 1147 CB ALA A 73 -2.791 1.373 11.754 1.00 0.00 C ATOM 0 H ALA A 73 -2.379 1.368 8.855 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.653 1.393 10.707 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.166 1.952 12.598 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.865 0.310 11.983 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.749 1.633 11.569 1.00 0.00 H new ATOM 1153 N LEU A 74 -2.454 3.821 10.434 1.00 0.00 N ATOM 1154 CA LEU A 74 -2.317 5.254 10.182 1.00 0.00 C ATOM 1155 C LEU A 74 -0.846 5.674 10.139 1.00 0.00 C ATOM 1156 O LEU A 74 -0.520 6.838 10.369 1.00 0.00 O ATOM 1157 CB LEU A 74 -3.057 6.053 11.256 1.00 0.00 C ATOM 1158 CG LEU A 74 -4.013 7.119 10.719 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -4.911 7.640 11.829 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -3.231 8.257 10.080 1.00 0.00 C ATOM 0 H LEU A 74 -1.608 3.370 10.782 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.758 5.465 9.208 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.622 5.360 11.880 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.322 6.536 11.900 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.645 6.665 9.956 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.584 8.397 11.427 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.495 6.817 12.241 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.299 8.080 12.616 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.925 9.008 9.702 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.575 8.710 10.823 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.632 7.869 9.256 1.00 0.00 H new ATOM 1172 N SER A 75 0.033 4.723 9.838 1.00 0.00 N ATOM 1173 CA SER A 75 1.466 4.991 9.763 1.00 0.00 C ATOM 1174 C SER A 75 2.039 5.397 11.122 1.00 0.00 C ATOM 1175 O SER A 75 3.159 5.901 11.200 1.00 0.00 O ATOM 1176 CB SER A 75 1.754 6.086 8.736 1.00 0.00 C ATOM 1177 OG SER A 75 1.307 5.706 7.445 1.00 0.00 O ATOM 0 H SER A 75 -0.223 3.756 9.641 1.00 0.00 H new ATOM 0 HA SER A 75 1.951 4.066 9.452 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.261 7.010 9.037 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.824 6.290 8.708 1.00 0.00 H new ATOM 0 HG SER A 75 1.535 4.767 7.283 1.00 0.00 H new ATOM 1183 N GLN A 76 1.277 5.170 12.190 1.00 0.00 N ATOM 1184 CA GLN A 76 1.736 5.512 13.533 1.00 0.00 C ATOM 1185 C GLN A 76 1.609 4.314 14.470 1.00 0.00 C ATOM 1186 O GLN A 76 1.398 4.473 15.673 1.00 0.00 O ATOM 1187 CB GLN A 76 0.947 6.701 14.094 1.00 0.00 C ATOM 1188 CG GLN A 76 0.670 7.798 13.076 1.00 0.00 C ATOM 1189 CD GLN A 76 1.893 8.158 12.253 1.00 0.00 C ATOM 1190 OE1 GLN A 76 2.985 8.344 12.789 1.00 0.00 O ATOM 1191 NE2 GLN A 76 1.712 8.257 10.940 1.00 0.00 N ATOM 0 H GLN A 76 0.346 4.754 12.152 1.00 0.00 H new ATOM 0 HA GLN A 76 2.787 5.793 13.464 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.002 6.339 14.490 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.500 7.128 14.931 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -0.129 7.475 12.409 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.312 8.687 13.595 1.00 0.00 H new ATOM 0 HE21 GLN A 76 0.788 8.094 10.539 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.497 8.496 10.334 1.00 0.00 H new ATOM 1200 N VAL A 77 1.738 3.114 13.910 1.00 0.00 N ATOM 1201 CA VAL A 77 1.638 1.890 14.696 1.00 0.00 C ATOM 1202 C VAL A 77 1.978 0.661 13.847 1.00 0.00 C ATOM 1203 O VAL A 77 3.026 0.043 14.035 1.00 0.00 O ATOM 1204 CB VAL A 77 0.229 1.734 15.328 1.00 0.00 C ATOM 1205 CG1 VAL A 77 -0.859 2.217 14.377 1.00 0.00 C ATOM 1206 CG2 VAL A 77 -0.028 0.295 15.760 1.00 0.00 C ATOM 0 H VAL A 77 1.912 2.964 12.916 1.00 0.00 H new ATOM 0 HA VAL A 77 2.365 1.965 15.504 1.00 0.00 H new ATOM 0 HB VAL A 77 0.199 2.361 16.219 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.834 2.095 14.848 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.698 3.270 14.144 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.824 1.633 13.458 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.023 0.219 16.199 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.038 -0.362 14.893 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.717 -0.002 16.498 1.00 0.00 H new ATOM 1216 N ARG A 78 1.091 0.308 12.920 1.00 0.00 N ATOM 1217 CA ARG A 78 1.312 -0.845 12.053 1.00 0.00 C ATOM 1218 C ARG A 78 2.289 -0.523 10.931 1.00 0.00 C ATOM 1219 O ARG A 78 2.997 -1.407 10.453 1.00 0.00 O ATOM 1220 CB ARG A 78 -0.013 -1.342 11.476 1.00 0.00 C ATOM 1221 CG ARG A 78 -0.822 -2.179 12.453 1.00 0.00 C ATOM 1222 CD ARG A 78 -0.109 -3.476 12.804 1.00 0.00 C ATOM 1223 NE ARG A 78 0.797 -3.314 13.938 1.00 0.00 N ATOM 1224 CZ ARG A 78 0.391 -3.093 15.186 1.00 0.00 C ATOM 1225 NH1 ARG A 78 -0.904 -3.017 15.466 1.00 0.00 N ATOM 1226 NH2 ARG A 78 1.280 -2.949 16.159 1.00 0.00 N ATOM 0 H ARG A 78 0.215 0.802 12.751 1.00 0.00 H new ATOM 0 HA ARG A 78 1.752 -1.635 12.661 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.609 -0.484 11.164 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.188 -1.933 10.582 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.003 -1.605 13.362 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.796 -2.405 12.020 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.847 -4.244 13.037 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.453 -3.826 11.938 1.00 0.00 H new ATOM 0 HE ARG A 78 1.800 -3.374 13.763 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.594 -3.128 14.723 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.209 -2.847 16.424 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.277 -3.008 15.952 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.967 -2.780 17.115 1.00 0.00 H new ATOM 1240 N GLY A 79 2.333 0.743 10.518 1.00 0.00 N ATOM 1241 CA GLY A 79 3.247 1.141 9.458 1.00 0.00 C ATOM 1242 C GLY A 79 4.616 0.519 9.649 1.00 0.00 C ATOM 1243 O GLY A 79 5.104 -0.203 8.780 1.00 0.00 O ATOM 0 H GLY A 79 1.757 1.495 10.895 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.840 0.841 8.492 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.338 2.227 9.442 1.00 0.00 H new ATOM 1247 N PRO A 80 5.250 0.771 10.805 1.00 0.00 N ATOM 1248 CA PRO A 80 6.563 0.213 11.125 1.00 0.00 C ATOM 1249 C PRO A 80 6.539 -1.314 11.154 1.00 0.00 C ATOM 1250 O PRO A 80 7.570 -1.955 10.960 1.00 0.00 O ATOM 1251 CB PRO A 80 6.872 0.767 12.523 1.00 0.00 C ATOM 1252 CG PRO A 80 5.955 1.929 12.697 1.00 0.00 C ATOM 1253 CD PRO A 80 4.728 1.610 11.895 1.00 0.00 C ATOM 0 HA PRO A 80 7.311 0.483 10.379 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.702 0.013 13.291 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.915 1.074 12.603 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.707 2.076 13.748 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.421 2.850 12.347 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.984 1.081 12.490 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.249 2.512 11.515 1.00 0.00 H new ATOM 1261 N THR A 81 5.360 -1.896 11.400 1.00 0.00 N ATOM 1262 CA THR A 81 5.228 -3.351 11.449 1.00 0.00 C ATOM 1263 C THR A 81 5.359 -3.956 10.052 1.00 0.00 C ATOM 1264 O THR A 81 6.127 -4.894 9.839 1.00 0.00 O ATOM 1265 CB THR A 81 3.883 -3.741 12.059 1.00 0.00 C ATOM 1266 OG1 THR A 81 3.529 -2.850 13.103 1.00 0.00 O ATOM 1267 CG2 THR A 81 3.863 -5.143 12.626 1.00 0.00 C ATOM 0 H THR A 81 4.493 -1.385 11.566 1.00 0.00 H new ATOM 0 HA THR A 81 6.031 -3.743 12.074 1.00 0.00 H new ATOM 0 HB THR A 81 3.170 -3.691 11.236 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.737 -3.261 13.968 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.878 -5.353 13.043 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.082 -5.859 11.834 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.615 -5.229 13.411 1.00 0.00 H new ATOM 1275 N CYS A 82 4.613 -3.402 9.101 1.00 0.00 N ATOM 1276 CA CYS A 82 4.667 -3.881 7.728 1.00 0.00 C ATOM 1277 C CYS A 82 6.040 -3.578 7.153 1.00 0.00 C ATOM 1278 O CYS A 82 6.612 -4.373 6.415 1.00 0.00 O ATOM 1279 CB CYS A 82 3.572 -3.230 6.878 1.00 0.00 C ATOM 1280 SG CYS A 82 1.965 -3.114 7.699 1.00 0.00 S ATOM 0 H CYS A 82 3.969 -2.626 9.256 1.00 0.00 H new ATOM 0 HA CYS A 82 4.496 -4.957 7.717 1.00 0.00 H new ATOM 0 HB2 CYS A 82 3.895 -2.228 6.594 1.00 0.00 H new ATOM 0 HB3 CYS A 82 3.456 -3.800 5.956 1.00 0.00 H new ATOM 0 HG CYS A 82 2.082 -2.405 8.783 1.00 0.00 H new ATOM 1286 N ALA A 83 6.576 -2.426 7.532 1.00 0.00 N ATOM 1287 CA ALA A 83 7.898 -2.033 7.090 1.00 0.00 C ATOM 1288 C ALA A 83 8.935 -2.904 7.784 1.00 0.00 C ATOM 1289 O ALA A 83 9.997 -3.187 7.230 1.00 0.00 O ATOM 1290 CB ALA A 83 8.148 -0.559 7.372 1.00 0.00 C ATOM 0 H ALA A 83 6.114 -1.752 8.143 1.00 0.00 H new ATOM 0 HA ALA A 83 7.974 -2.175 6.012 1.00 0.00 H new ATOM 0 HB1 ALA A 83 9.147 -0.288 7.031 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.409 0.043 6.844 1.00 0.00 H new ATOM 0 HB3 ALA A 83 8.068 -0.375 8.443 1.00 0.00 H new ATOM 1296 N ARG A 84 8.603 -3.349 8.998 1.00 0.00 N ATOM 1297 CA ARG A 84 9.492 -4.214 9.759 1.00 0.00 C ATOM 1298 C ARG A 84 9.733 -5.493 8.974 1.00 0.00 C ATOM 1299 O ARG A 84 10.862 -5.974 8.884 1.00 0.00 O ATOM 1300 CB ARG A 84 8.904 -4.536 11.136 1.00 0.00 C ATOM 1301 CG ARG A 84 9.770 -5.470 11.966 1.00 0.00 C ATOM 1302 CD ARG A 84 11.189 -4.940 12.107 1.00 0.00 C ATOM 1303 NE ARG A 84 11.226 -3.635 12.762 1.00 0.00 N ATOM 1304 CZ ARG A 84 12.349 -2.971 13.028 1.00 0.00 C ATOM 1305 NH1 ARG A 84 13.527 -3.485 12.696 1.00 0.00 N ATOM 1306 NH2 ARG A 84 12.295 -1.789 13.626 1.00 0.00 N ATOM 0 H ARG A 84 7.727 -3.123 9.469 1.00 0.00 H new ATOM 0 HA ARG A 84 10.438 -3.697 9.918 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.758 -3.606 11.685 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.920 -4.987 11.005 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.328 -5.595 12.954 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.793 -6.455 11.500 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.785 -5.650 12.680 1.00 0.00 H new ATOM 0 HD3 ARG A 84 11.646 -4.863 11.121 1.00 0.00 H new ATOM 0 HE ARG A 84 10.340 -3.207 13.031 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.575 -4.393 12.235 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.384 -2.972 12.902 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.393 -1.388 13.883 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.156 -1.281 13.830 1.00 0.00 H new ATOM 1320 N ARG A 85 8.669 -6.022 8.371 1.00 0.00 N ATOM 1321 CA ARG A 85 8.800 -7.223 7.559 1.00 0.00 C ATOM 1322 C ARG A 85 9.632 -6.892 6.327 1.00 0.00 C ATOM 1323 O ARG A 85 10.421 -7.711 5.856 1.00 0.00 O ATOM 1324 CB ARG A 85 7.427 -7.791 7.166 1.00 0.00 C ATOM 1325 CG ARG A 85 6.694 -6.992 6.099 1.00 0.00 C ATOM 1326 CD ARG A 85 6.228 -7.872 4.951 1.00 0.00 C ATOM 1327 NE ARG A 85 6.500 -7.261 3.651 1.00 0.00 N ATOM 1328 CZ ARG A 85 5.990 -6.096 3.255 1.00 0.00 C ATOM 1329 NH1 ARG A 85 5.168 -5.417 4.047 1.00 0.00 N ATOM 1330 NH2 ARG A 85 6.297 -5.612 2.060 1.00 0.00 N ATOM 0 H ARG A 85 7.724 -5.643 8.429 1.00 0.00 H new ATOM 0 HA ARG A 85 9.302 -7.996 8.141 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.559 -8.813 6.810 1.00 0.00 H new ATOM 0 HB3 ARG A 85 6.801 -7.843 8.057 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.834 -6.493 6.546 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.351 -6.212 5.715 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.727 -8.839 5.009 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.159 -8.059 5.048 1.00 0.00 H new ATOM 0 HE ARG A 85 7.118 -7.757 3.008 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.923 -5.787 4.965 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.781 -4.526 3.737 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.923 -6.132 1.445 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.907 -4.720 1.756 1.00 0.00 H new ATOM 1344 N LEU A 86 9.479 -5.655 5.838 1.00 0.00 N ATOM 1345 CA LEU A 86 10.255 -5.199 4.696 1.00 0.00 C ATOM 1346 C LEU A 86 11.729 -5.268 5.062 1.00 0.00 C ATOM 1347 O LEU A 86 12.575 -5.636 4.246 1.00 0.00 O ATOM 1348 CB LEU A 86 9.867 -3.766 4.316 1.00 0.00 C ATOM 1349 CG LEU A 86 9.934 -3.449 2.822 1.00 0.00 C ATOM 1350 CD1 LEU A 86 8.740 -4.048 2.095 1.00 0.00 C ATOM 1351 CD2 LEU A 86 9.993 -1.944 2.600 1.00 0.00 C ATOM 0 H LEU A 86 8.830 -4.964 6.216 1.00 0.00 H new ATOM 0 HA LEU A 86 10.053 -5.836 3.835 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.853 -3.576 4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.522 -3.076 4.847 1.00 0.00 H new ATOM 0 HG LEU A 86 10.842 -3.894 2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.805 -3.812 1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.739 -5.130 2.227 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.819 -3.632 2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.040 -1.735 1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.102 -1.479 3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.879 -1.539 3.088 1.00 0.00 H new ATOM 1363 N VAL A 87 12.012 -4.941 6.321 1.00 0.00 N ATOM 1364 CA VAL A 87 13.366 -4.993 6.847 1.00 0.00 C ATOM 1365 C VAL A 87 13.855 -6.433 6.873 1.00 0.00 C ATOM 1366 O VAL A 87 15.027 -6.706 6.618 1.00 0.00 O ATOM 1367 CB VAL A 87 13.448 -4.403 8.268 1.00 0.00 C ATOM 1368 CG1 VAL A 87 14.892 -4.353 8.745 1.00 0.00 C ATOM 1369 CG2 VAL A 87 12.816 -3.018 8.312 1.00 0.00 C ATOM 0 H VAL A 87 11.312 -4.635 6.997 1.00 0.00 H new ATOM 0 HA VAL A 87 13.998 -4.394 6.192 1.00 0.00 H new ATOM 0 HB VAL A 87 12.889 -5.053 8.942 1.00 0.00 H new ATOM 0 HG11 VAL A 87 14.929 -3.933 9.750 1.00 0.00 H new ATOM 0 HG12 VAL A 87 15.306 -5.361 8.757 1.00 0.00 H new ATOM 0 HG13 VAL A 87 15.477 -3.729 8.070 1.00 0.00 H new ATOM 0 HG21 VAL A 87 12.884 -2.619 9.324 1.00 0.00 H new ATOM 0 HG22 VAL A 87 13.342 -2.356 7.625 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.768 -3.087 8.019 1.00 0.00 H new ATOM 1379 N ASN A 88 12.940 -7.355 7.177 1.00 0.00 N ATOM 1380 CA ASN A 88 13.269 -8.774 7.226 1.00 0.00 C ATOM 1381 C ASN A 88 13.806 -9.230 5.880 1.00 0.00 C ATOM 1382 O ASN A 88 14.857 -9.866 5.800 1.00 0.00 O ATOM 1383 CB ASN A 88 12.026 -9.599 7.613 1.00 0.00 C ATOM 1384 CG ASN A 88 11.783 -10.792 6.693 1.00 0.00 C ATOM 1385 OD1 ASN A 88 11.124 -10.552 5.561 1.00 0.00 O flip ATOM 1386 ND2 ASN A 88 12.182 -11.915 7.000 1.00 0.00 N flip ATOM 0 H ASN A 88 11.966 -7.141 7.392 1.00 0.00 H new ATOM 0 HA ASN A 88 14.038 -8.930 7.983 1.00 0.00 H new ATOM 0 HB2 ASN A 88 12.140 -9.956 8.637 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.149 -8.952 7.596 1.00 0.00 H new ATOM 0 HD21 ASN A 88 12.683 -12.056 7.877 1.00 0.00 H new ATOM 0 HD22 ASN A 88 12.011 -12.705 6.377 1.00 0.00 H new ATOM 1393 N TYR A 89 13.079 -8.897 4.823 1.00 0.00 N ATOM 1394 CA TYR A 89 13.497 -9.273 3.483 1.00 0.00 C ATOM 1395 C TYR A 89 14.805 -8.590 3.138 1.00 0.00 C ATOM 1396 O TYR A 89 15.755 -9.232 2.686 1.00 0.00 O ATOM 1397 CB TYR A 89 12.419 -8.907 2.460 1.00 0.00 C ATOM 1398 CG TYR A 89 12.864 -9.048 1.017 1.00 0.00 C ATOM 1399 CD1 TYR A 89 13.828 -8.201 0.487 1.00 0.00 C ATOM 1400 CD2 TYR A 89 12.315 -10.022 0.186 1.00 0.00 C ATOM 1401 CE1 TYR A 89 14.238 -8.315 -0.818 1.00 0.00 C ATOM 1402 CE2 TYR A 89 12.720 -10.147 -1.132 1.00 0.00 C ATOM 1403 CZ TYR A 89 13.691 -9.281 -1.624 1.00 0.00 C ATOM 1404 OH TYR A 89 14.123 -9.376 -2.921 1.00 0.00 O ATOM 0 H TYR A 89 12.205 -8.372 4.867 1.00 0.00 H new ATOM 0 HA TYR A 89 13.644 -10.353 3.453 1.00 0.00 H new ATOM 0 HB2 TYR A 89 11.547 -9.540 2.624 1.00 0.00 H new ATOM 0 HB3 TYR A 89 12.103 -7.878 2.633 1.00 0.00 H new ATOM 0 HD1 TYR A 89 14.264 -7.437 1.114 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.562 -10.690 0.576 1.00 0.00 H new ATOM 0 HE1 TYR A 89 14.990 -7.646 -1.209 1.00 0.00 H new ATOM 0 HE2 TYR A 89 12.289 -10.905 -1.768 1.00 0.00 H new ATOM 0 HH TYR A 89 14.560 -10.243 -3.058 1.00 0.00 H new ATOM 1414 N LEU A 90 14.859 -7.283 3.364 1.00 0.00 N ATOM 1415 CA LEU A 90 16.066 -6.529 3.082 1.00 0.00 C ATOM 1416 C LEU A 90 17.237 -7.176 3.806 1.00 0.00 C ATOM 1417 O LEU A 90 18.371 -7.166 3.329 1.00 0.00 O ATOM 1418 CB LEU A 90 15.891 -5.060 3.501 1.00 0.00 C ATOM 1419 CG LEU A 90 16.660 -4.619 4.753 1.00 0.00 C ATOM 1420 CD1 LEU A 90 18.129 -4.397 4.425 1.00 0.00 C ATOM 1421 CD2 LEU A 90 16.045 -3.355 5.336 1.00 0.00 C ATOM 0 H LEU A 90 14.087 -6.731 3.738 1.00 0.00 H new ATOM 0 HA LEU A 90 16.266 -6.541 2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 90 16.199 -4.427 2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 90 14.830 -4.875 3.667 1.00 0.00 H new ATOM 0 HG LEU A 90 16.591 -5.411 5.499 1.00 0.00 H new ATOM 0 HD11 LEU A 90 18.659 -4.085 5.325 1.00 0.00 H new ATOM 0 HD12 LEU A 90 18.563 -5.325 4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 90 18.219 -3.622 3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 90 16.602 -3.055 6.224 1.00 0.00 H new ATOM 0 HD22 LEU A 90 16.085 -2.556 4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 90 15.007 -3.547 5.607 1.00 0.00 H new ATOM 1433 N ASP A 91 16.932 -7.758 4.957 1.00 0.00 N ATOM 1434 CA ASP A 91 17.925 -8.442 5.759 1.00 0.00 C ATOM 1435 C ASP A 91 18.368 -9.733 5.078 1.00 0.00 C ATOM 1436 O ASP A 91 19.521 -10.146 5.200 1.00 0.00 O ATOM 1437 CB ASP A 91 17.362 -8.745 7.151 1.00 0.00 C ATOM 1438 CG ASP A 91 18.450 -8.974 8.181 1.00 0.00 C ATOM 1439 OD1 ASP A 91 19.243 -8.040 8.426 1.00 0.00 O ATOM 1440 OD2 ASP A 91 18.508 -10.087 8.745 1.00 0.00 O ATOM 0 H ASP A 91 15.993 -7.767 5.356 1.00 0.00 H new ATOM 0 HA ASP A 91 18.793 -7.791 5.863 1.00 0.00 H new ATOM 0 HB2 ASP A 91 16.731 -7.916 7.472 1.00 0.00 H new ATOM 0 HB3 ASP A 91 16.725 -9.628 7.097 1.00 0.00 H new ATOM 1445 N GLU A 92 17.441 -10.371 4.364 1.00 0.00 N ATOM 1446 CA GLU A 92 17.741 -11.619 3.674 1.00 0.00 C ATOM 1447 C GLU A 92 18.052 -11.387 2.197 1.00 0.00 C ATOM 1448 O GLU A 92 18.071 -12.331 1.408 1.00 0.00 O ATOM 1449 CB GLU A 92 16.568 -12.589 3.806 1.00 0.00 C ATOM 1450 CG GLU A 92 16.993 -14.034 4.017 1.00 0.00 C ATOM 1451 CD GLU A 92 16.273 -14.691 5.178 1.00 0.00 C ATOM 1452 OE1 GLU A 92 16.532 -14.299 6.336 1.00 0.00 O ATOM 1453 OE2 GLU A 92 15.450 -15.597 4.930 1.00 0.00 O ATOM 0 H GLU A 92 16.482 -10.044 4.250 1.00 0.00 H new ATOM 0 HA GLU A 92 18.627 -12.048 4.142 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.942 -12.277 4.642 1.00 0.00 H new ATOM 0 HB3 GLU A 92 15.954 -12.527 2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 92 16.800 -14.602 3.107 1.00 0.00 H new ATOM 0 HG3 GLU A 92 18.068 -14.070 4.194 1.00 0.00 H new ATOM 1460 N LYS A 93 18.294 -10.134 1.820 1.00 0.00 N ATOM 1461 CA LYS A 93 18.599 -9.817 0.430 1.00 0.00 C ATOM 1462 C LYS A 93 19.063 -8.372 0.267 1.00 0.00 C ATOM 1463 O LYS A 93 20.190 -8.121 -0.159 1.00 0.00 O ATOM 1464 CB LYS A 93 17.374 -10.070 -0.450 1.00 0.00 C ATOM 1465 CG LYS A 93 17.718 -10.567 -1.844 1.00 0.00 C ATOM 1466 CD LYS A 93 18.488 -11.878 -1.793 1.00 0.00 C ATOM 1467 CE LYS A 93 19.976 -11.663 -2.019 1.00 0.00 C ATOM 1468 NZ LYS A 93 20.799 -12.350 -0.985 1.00 0.00 N ATOM 0 H LYS A 93 18.285 -9.332 2.450 1.00 0.00 H new ATOM 0 HA LYS A 93 19.415 -10.468 0.117 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.731 -10.802 0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.800 -9.147 -0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.802 -10.704 -2.419 1.00 0.00 H new ATOM 0 HG3 LYS A 93 18.312 -9.815 -2.364 1.00 0.00 H new ATOM 0 HD2 LYS A 93 18.332 -12.355 -0.825 1.00 0.00 H new ATOM 0 HD3 LYS A 93 18.099 -12.559 -2.550 1.00 0.00 H new ATOM 0 HE2 LYS A 93 20.251 -12.033 -3.007 1.00 0.00 H new ATOM 0 HE3 LYS A 93 20.195 -10.595 -2.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 21.659 -11.794 -0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 20.249 -12.440 -0.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 21.065 -13.296 -1.325 1.00 0.00 H new ATOM 1482 N LYS A 94 18.183 -7.429 0.607 1.00 0.00 N ATOM 1483 CA LYS A 94 18.484 -5.995 0.495 1.00 0.00 C ATOM 1484 C LYS A 94 17.196 -5.179 0.397 1.00 0.00 C ATOM 1485 O LYS A 94 16.142 -5.703 0.037 1.00 0.00 O ATOM 1486 CB LYS A 94 19.360 -5.704 -0.731 1.00 0.00 C ATOM 1487 CG LYS A 94 20.824 -5.473 -0.392 1.00 0.00 C ATOM 1488 CD LYS A 94 21.073 -4.042 0.060 1.00 0.00 C ATOM 1489 CE LYS A 94 22.063 -3.985 1.212 1.00 0.00 C ATOM 1490 NZ LYS A 94 21.514 -4.607 2.448 1.00 0.00 N ATOM 0 H LYS A 94 17.249 -7.631 0.965 1.00 0.00 H new ATOM 0 HA LYS A 94 19.029 -5.707 1.394 1.00 0.00 H new ATOM 0 HB2 LYS A 94 19.284 -6.539 -1.428 1.00 0.00 H new ATOM 0 HB3 LYS A 94 18.971 -4.824 -1.244 1.00 0.00 H new ATOM 0 HG2 LYS A 94 21.129 -6.163 0.395 1.00 0.00 H new ATOM 0 HG3 LYS A 94 21.439 -5.692 -1.264 1.00 0.00 H new ATOM 0 HD2 LYS A 94 21.453 -3.456 -0.777 1.00 0.00 H new ATOM 0 HD3 LYS A 94 20.131 -3.587 0.366 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.982 -4.496 0.926 1.00 0.00 H new ATOM 0 HE3 LYS A 94 22.325 -2.946 1.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 21.998 -4.213 3.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 20.495 -4.408 2.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 21.664 -5.636 2.415 1.00 0.00 H new ATOM 1504 N GLU A 95 17.290 -3.893 0.721 1.00 0.00 N ATOM 1505 CA GLU A 95 16.134 -3.003 0.673 1.00 0.00 C ATOM 1506 C GLU A 95 15.630 -2.820 -0.755 1.00 0.00 C ATOM 1507 O GLU A 95 16.399 -2.514 -1.664 1.00 0.00 O ATOM 1508 CB GLU A 95 16.487 -1.644 1.277 1.00 0.00 C ATOM 1509 CG GLU A 95 17.805 -1.081 0.776 1.00 0.00 C ATOM 1510 CD GLU A 95 18.915 -1.187 1.803 1.00 0.00 C ATOM 1511 OE1 GLU A 95 19.388 -2.316 2.053 1.00 0.00 O ATOM 1512 OE2 GLU A 95 19.310 -0.141 2.360 1.00 0.00 O ATOM 0 H GLU A 95 18.155 -3.443 1.020 1.00 0.00 H new ATOM 0 HA GLU A 95 15.337 -3.463 1.258 1.00 0.00 H new ATOM 0 HB2 GLU A 95 15.689 -0.937 1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 95 16.530 -1.738 2.362 1.00 0.00 H new ATOM 0 HG2 GLU A 95 18.101 -1.611 -0.129 1.00 0.00 H new ATOM 0 HG3 GLU A 95 17.668 -0.035 0.502 1.00 0.00 H new ATOM 1519 N ASP A 96 14.325 -3.010 -0.937 1.00 0.00 N ATOM 1520 CA ASP A 96 13.695 -2.867 -2.247 1.00 0.00 C ATOM 1521 C ASP A 96 12.229 -3.289 -2.184 1.00 0.00 C ATOM 1522 O ASP A 96 11.727 -3.654 -1.121 1.00 0.00 O ATOM 1523 CB ASP A 96 14.434 -3.701 -3.297 1.00 0.00 C ATOM 1524 CG ASP A 96 15.333 -2.854 -4.177 1.00 0.00 C ATOM 1525 OD1 ASP A 96 14.818 -1.919 -4.824 1.00 0.00 O ATOM 1526 OD2 ASP A 96 16.552 -3.128 -4.218 1.00 0.00 O ATOM 0 H ASP A 96 13.680 -3.265 -0.189 1.00 0.00 H new ATOM 0 HA ASP A 96 13.748 -1.817 -2.535 1.00 0.00 H new ATOM 0 HB2 ASP A 96 15.032 -4.463 -2.797 1.00 0.00 H new ATOM 0 HB3 ASP A 96 13.708 -4.223 -3.920 1.00 0.00 H new ATOM 1531 N THR A 97 11.546 -3.237 -3.324 1.00 0.00 N ATOM 1532 CA THR A 97 10.137 -3.616 -3.381 1.00 0.00 C ATOM 1533 C THR A 97 9.594 -3.510 -4.805 1.00 0.00 C ATOM 1534 O THR A 97 10.261 -2.992 -5.701 1.00 0.00 O ATOM 1535 CB THR A 97 9.314 -2.742 -2.429 1.00 0.00 C ATOM 1536 OG1 THR A 97 7.956 -2.695 -2.830 1.00 0.00 O ATOM 1537 CG2 THR A 97 9.815 -1.316 -2.333 1.00 0.00 C ATOM 0 H THR A 97 11.942 -2.938 -4.215 1.00 0.00 H new ATOM 0 HA THR A 97 10.053 -4.656 -3.067 1.00 0.00 H new ATOM 0 HB THR A 97 9.419 -3.212 -1.451 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.450 -2.133 -2.207 1.00 0.00 H new ATOM 0 HG21 THR A 97 9.186 -0.755 -1.642 1.00 0.00 H new ATOM 0 HG22 THR A 97 10.843 -1.315 -1.970 1.00 0.00 H new ATOM 0 HG23 THR A 97 9.778 -0.850 -3.318 1.00 0.00 H new ATOM 1545 N GLY A 98 8.379 -4.015 -5.002 1.00 0.00 N ATOM 1546 CA GLY A 98 7.749 -3.988 -6.313 1.00 0.00 C ATOM 1547 C GLY A 98 7.366 -2.600 -6.773 1.00 0.00 C ATOM 1548 O GLY A 98 6.993 -2.403 -7.926 1.00 0.00 O ATOM 0 H GLY A 98 7.814 -4.446 -4.270 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.429 -4.429 -7.042 1.00 0.00 H new ATOM 0 HA3 GLY A 98 6.856 -4.613 -6.291 1.00 0.00 H new ATOM 1552 N ILE A 99 7.427 -1.650 -5.865 1.00 0.00 N ATOM 1553 CA ILE A 99 7.068 -0.265 -6.168 1.00 0.00 C ATOM 1554 C ILE A 99 8.241 0.556 -6.657 1.00 0.00 C ATOM 1555 O ILE A 99 9.331 0.498 -6.089 1.00 0.00 O ATOM 1556 CB ILE A 99 6.530 0.473 -4.935 1.00 0.00 C ATOM 1557 CG1 ILE A 99 7.446 0.272 -3.723 1.00 0.00 C ATOM 1558 CG2 ILE A 99 5.133 0.027 -4.620 1.00 0.00 C ATOM 1559 CD1 ILE A 99 8.572 1.280 -3.640 1.00 0.00 C ATOM 0 H ILE A 99 7.723 -1.805 -4.901 1.00 0.00 H new ATOM 0 HA ILE A 99 6.310 -0.352 -6.946 1.00 0.00 H new ATOM 0 HB ILE A 99 6.510 1.538 -5.166 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.849 0.331 -2.813 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.870 -0.731 -3.761 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.769 0.562 -3.743 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.483 0.239 -5.469 1.00 0.00 H new ATOM 0 HG23 ILE A 99 5.130 -1.044 -4.419 1.00 0.00 H new ATOM 0 HD11 ILE A 99 9.179 1.076 -2.758 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.193 1.206 -4.533 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.156 2.285 -3.570 1.00 0.00 H new ATOM 1571 N LYS A 100 7.992 1.388 -7.658 1.00 0.00 N ATOM 1572 CA LYS A 100 9.027 2.287 -8.132 1.00 0.00 C ATOM 1573 C LYS A 100 9.321 3.301 -7.021 1.00 0.00 C ATOM 1574 O LYS A 100 10.429 3.827 -6.916 1.00 0.00 O ATOM 1575 CB LYS A 100 8.577 3.011 -9.399 1.00 0.00 C ATOM 1576 CG LYS A 100 9.582 4.032 -9.910 1.00 0.00 C ATOM 1577 CD LYS A 100 8.892 5.278 -10.445 1.00 0.00 C ATOM 1578 CE LYS A 100 9.479 5.717 -11.779 1.00 0.00 C ATOM 1579 NZ LYS A 100 9.665 7.193 -11.847 1.00 0.00 N ATOM 0 H LYS A 100 7.100 1.458 -8.148 1.00 0.00 H new ATOM 0 HA LYS A 100 9.925 1.719 -8.376 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.391 2.275 -10.181 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.630 3.514 -9.203 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.261 4.309 -9.104 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.188 3.584 -10.698 1.00 0.00 H new ATOM 0 HD2 LYS A 100 7.826 5.082 -10.563 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.989 6.087 -9.721 1.00 0.00 H new ATOM 0 HE2 LYS A 100 10.438 5.223 -11.933 1.00 0.00 H new ATOM 0 HE3 LYS A 100 8.822 5.397 -12.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 10.067 7.450 -12.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 8.746 7.665 -11.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 10.312 7.496 -11.092 1.00 0.00 H new ATOM 1593 N ASN A 101 8.303 3.555 -6.186 1.00 0.00 N ATOM 1594 CA ASN A 101 8.416 4.487 -5.065 1.00 0.00 C ATOM 1595 C ASN A 101 7.431 4.128 -3.939 1.00 0.00 C ATOM 1596 O ASN A 101 6.244 3.919 -4.180 1.00 0.00 O ATOM 1597 CB ASN A 101 8.163 5.919 -5.545 1.00 0.00 C ATOM 1598 CG ASN A 101 9.423 6.762 -5.532 1.00 0.00 C ATOM 1599 OD1 ASN A 101 10.264 6.630 -4.642 1.00 0.00 O ATOM 1600 ND2 ASN A 101 9.560 7.636 -6.522 1.00 0.00 N ATOM 0 H ASN A 101 7.384 3.120 -6.272 1.00 0.00 H new ATOM 0 HA ASN A 101 9.428 4.413 -4.666 1.00 0.00 H new ATOM 0 HB2 ASN A 101 7.756 5.894 -6.556 1.00 0.00 H new ATOM 0 HB3 ASN A 101 7.410 6.385 -4.909 1.00 0.00 H new ATOM 0 HD21 ASN A 101 10.387 8.231 -6.566 1.00 0.00 H new ATOM 0 HD22 ASN A 101 8.838 7.712 -7.239 1.00 0.00 H new ATOM 1607 N ILE A 102 7.943 4.060 -2.709 1.00 0.00 N ATOM 1608 CA ILE A 102 7.127 3.729 -1.535 1.00 0.00 C ATOM 1609 C ILE A 102 6.408 4.965 -0.983 1.00 0.00 C ATOM 1610 O ILE A 102 6.990 6.045 -0.888 1.00 0.00 O ATOM 1611 CB ILE A 102 7.984 3.092 -0.419 1.00 0.00 C ATOM 1612 CG1 ILE A 102 7.112 2.743 0.791 1.00 0.00 C ATOM 1613 CG2 ILE A 102 9.121 4.021 -0.017 1.00 0.00 C ATOM 1614 CD1 ILE A 102 6.082 1.671 0.503 1.00 0.00 C ATOM 0 H ILE A 102 8.926 4.231 -2.497 1.00 0.00 H new ATOM 0 HA ILE A 102 6.379 3.007 -1.864 1.00 0.00 H new ATOM 0 HB ILE A 102 8.421 2.171 -0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.753 2.410 1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 102 6.602 3.643 1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.712 3.553 0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.756 4.214 -0.882 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.710 4.962 0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.500 1.474 1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.417 2.009 -0.292 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.586 0.757 0.190 1.00 0.00 H new ATOM 1626 N MET A 103 5.127 4.796 -0.642 1.00 0.00 N ATOM 1627 CA MET A 103 4.312 5.896 -0.125 1.00 0.00 C ATOM 1628 C MET A 103 3.581 5.521 1.172 1.00 0.00 C ATOM 1629 O MET A 103 3.514 4.347 1.537 1.00 0.00 O ATOM 1630 CB MET A 103 3.290 6.305 -1.185 1.00 0.00 C ATOM 1631 CG MET A 103 3.906 6.791 -2.489 1.00 0.00 C ATOM 1632 SD MET A 103 2.753 7.770 -3.474 1.00 0.00 S ATOM 1633 CE MET A 103 3.474 9.402 -3.327 1.00 0.00 C ATOM 0 H MET A 103 4.633 3.907 -0.715 1.00 0.00 H new ATOM 0 HA MET A 103 4.981 6.725 0.105 1.00 0.00 H new ATOM 0 HB2 MET A 103 2.642 5.454 -1.397 1.00 0.00 H new ATOM 0 HB3 MET A 103 2.657 7.094 -0.779 1.00 0.00 H new ATOM 0 HG2 MET A 103 4.790 7.389 -2.269 1.00 0.00 H new ATOM 0 HG3 MET A 103 4.239 5.932 -3.072 1.00 0.00 H new ATOM 0 HE1 MET A 103 2.901 10.108 -3.928 1.00 0.00 H new ATOM 0 HE2 MET A 103 3.455 9.715 -2.283 1.00 0.00 H new ATOM 0 HE3 MET A 103 4.505 9.377 -3.680 1.00 0.00 H new ATOM 1643 N ILE A 104 3.025 6.532 1.862 1.00 0.00 N ATOM 1644 CA ILE A 104 2.295 6.299 3.110 1.00 0.00 C ATOM 1645 C ILE A 104 0.819 6.709 2.994 1.00 0.00 C ATOM 1646 O ILE A 104 0.478 7.744 2.421 1.00 0.00 O ATOM 1647 CB ILE A 104 2.967 7.020 4.319 1.00 0.00 C ATOM 1648 CG1 ILE A 104 3.483 5.986 5.319 1.00 0.00 C ATOM 1649 CG2 ILE A 104 2.014 7.990 5.024 1.00 0.00 C ATOM 1650 CD1 ILE A 104 4.016 6.591 6.601 1.00 0.00 C ATOM 0 H ILE A 104 3.069 7.510 1.575 1.00 0.00 H new ATOM 0 HA ILE A 104 2.333 5.225 3.294 1.00 0.00 H new ATOM 0 HB ILE A 104 3.797 7.607 3.925 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.676 5.295 5.562 1.00 0.00 H new ATOM 0 HG13 ILE A 104 4.273 5.401 4.848 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.530 8.466 5.858 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.684 8.753 4.319 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.149 7.443 5.398 1.00 0.00 H new ATOM 0 HD11 ILE A 104 4.364 5.796 7.261 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.845 7.260 6.370 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.223 7.152 7.096 1.00 0.00 H new ATOM 1662 N LEU A 105 -0.040 5.851 3.555 1.00 0.00 N ATOM 1663 CA LEU A 105 -1.486 6.049 3.552 1.00 0.00 C ATOM 1664 C LEU A 105 -1.926 7.137 4.529 1.00 0.00 C ATOM 1665 O LEU A 105 -1.471 7.187 5.670 1.00 0.00 O ATOM 1666 CB LEU A 105 -2.189 4.727 3.910 1.00 0.00 C ATOM 1667 CG LEU A 105 -2.129 4.301 5.390 1.00 0.00 C ATOM 1668 CD1 LEU A 105 -0.719 4.415 5.949 1.00 0.00 C ATOM 1669 CD2 LEU A 105 -3.101 5.116 6.234 1.00 0.00 C ATOM 0 H LEU A 105 0.255 4.995 4.026 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.768 6.372 2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.236 4.807 3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.750 3.932 3.307 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.425 3.253 5.436 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.716 4.106 6.994 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.048 3.772 5.379 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.381 5.449 5.875 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.038 4.795 7.274 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.845 6.173 6.165 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.116 4.964 5.868 1.00 0.00 H new ATOM 1681 N GLU A 106 -2.842 7.987 4.080 1.00 0.00 N ATOM 1682 CA GLU A 106 -3.378 9.047 4.928 1.00 0.00 C ATOM 1683 C GLU A 106 -4.681 8.588 5.583 1.00 0.00 C ATOM 1684 O GLU A 106 -5.076 9.102 6.630 1.00 0.00 O ATOM 1685 CB GLU A 106 -3.621 10.326 4.126 1.00 0.00 C ATOM 1686 CG GLU A 106 -4.583 10.150 2.961 1.00 0.00 C ATOM 1687 CD GLU A 106 -6.035 10.181 3.393 1.00 0.00 C ATOM 1688 OE1 GLU A 106 -6.411 11.110 4.139 1.00 0.00 O ATOM 1689 OE2 GLU A 106 -6.795 9.278 2.986 1.00 0.00 O ATOM 0 H GLU A 106 -3.229 7.964 3.136 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.642 9.264 5.702 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -4.012 11.093 4.794 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.667 10.691 3.745 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -4.409 10.939 2.229 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -4.376 9.202 2.464 1.00 0.00 H new ATOM 1696 N ARG A 107 -5.341 7.609 4.959 1.00 0.00 N ATOM 1697 CA ARG A 107 -6.597 7.072 5.478 1.00 0.00 C ATOM 1698 C ARG A 107 -6.966 5.769 4.770 1.00 0.00 C ATOM 1699 O ARG A 107 -7.908 5.724 3.978 1.00 0.00 O ATOM 1700 CB ARG A 107 -7.724 8.093 5.319 1.00 0.00 C ATOM 1701 CG ARG A 107 -8.700 8.104 6.485 1.00 0.00 C ATOM 1702 CD ARG A 107 -9.433 9.431 6.584 1.00 0.00 C ATOM 1703 NE ARG A 107 -8.513 10.565 6.615 1.00 0.00 N ATOM 1704 CZ ARG A 107 -7.857 10.958 7.704 1.00 0.00 C ATOM 1705 NH1 ARG A 107 -8.016 10.313 8.853 1.00 0.00 N ATOM 1706 NH2 ARG A 107 -7.038 12.001 7.645 1.00 0.00 N ATOM 0 H ARG A 107 -5.024 7.173 4.093 1.00 0.00 H new ATOM 0 HA ARG A 107 -6.460 6.862 6.539 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -7.290 9.087 5.209 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -8.270 7.880 4.400 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -9.422 7.296 6.364 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -8.162 7.914 7.414 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -10.109 9.536 5.735 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -10.048 9.439 7.484 1.00 0.00 H new ATOM 0 HE ARG A 107 -8.365 11.086 5.751 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.644 9.511 8.905 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -7.510 10.619 9.684 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -6.912 12.501 6.765 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -6.535 12.302 8.480 1.00 0.00 H new ATOM 1720 N GLY A 108 -6.207 4.717 5.064 1.00 0.00 N ATOM 1721 CA GLY A 108 -6.439 3.410 4.460 1.00 0.00 C ATOM 1722 C GLY A 108 -7.912 3.060 4.295 1.00 0.00 C ATOM 1723 O GLY A 108 -8.539 3.435 3.304 1.00 0.00 O ATOM 0 H GLY A 108 -5.425 4.745 5.718 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -5.957 3.381 3.483 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -5.961 2.647 5.074 1.00 0.00 H new ATOM 1727 N PHE A 109 -8.457 2.325 5.263 1.00 0.00 N ATOM 1728 CA PHE A 109 -9.859 1.904 5.220 1.00 0.00 C ATOM 1729 C PHE A 109 -10.649 2.461 6.405 1.00 0.00 C ATOM 1730 O PHE A 109 -11.879 2.406 6.425 1.00 0.00 O ATOM 1731 CB PHE A 109 -9.946 0.377 5.218 1.00 0.00 C ATOM 1732 CG PHE A 109 -9.102 -0.269 6.277 1.00 0.00 C ATOM 1733 CD1 PHE A 109 -9.396 -0.090 7.620 1.00 0.00 C ATOM 1734 CD2 PHE A 109 -8.014 -1.055 5.933 1.00 0.00 C ATOM 1735 CE1 PHE A 109 -8.620 -0.680 8.599 1.00 0.00 C ATOM 1736 CE2 PHE A 109 -7.234 -1.648 6.907 1.00 0.00 C ATOM 1737 CZ PHE A 109 -7.537 -1.461 8.242 1.00 0.00 C ATOM 0 H PHE A 109 -7.949 2.008 6.089 1.00 0.00 H new ATOM 0 HA PHE A 109 -10.297 2.300 4.304 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -10.985 0.079 5.360 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -9.638 0.004 4.241 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -10.242 0.518 7.904 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -7.773 -1.206 4.891 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -8.859 -0.531 9.642 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -6.388 -2.257 6.625 1.00 0.00 H new ATOM 0 HZ PHE A 109 -6.929 -1.924 9.005 1.00 0.00 H new ATOM 1747 N ASN A 110 -9.931 2.997 7.390 1.00 0.00 N ATOM 1748 CA ASN A 110 -10.563 3.561 8.572 1.00 0.00 C ATOM 1749 C ASN A 110 -11.538 4.655 8.170 1.00 0.00 C ATOM 1750 O ASN A 110 -12.559 4.856 8.816 1.00 0.00 O ATOM 1751 CB ASN A 110 -9.506 4.122 9.525 1.00 0.00 C ATOM 1752 CG ASN A 110 -8.690 5.233 8.894 1.00 0.00 C ATOM 1753 OD1 ASN A 110 -8.218 5.109 7.764 1.00 0.00 O ATOM 1754 ND2 ASN A 110 -8.520 6.331 9.623 1.00 0.00 N ATOM 0 H ASN A 110 -8.912 3.051 7.389 1.00 0.00 H new ATOM 0 HA ASN A 110 -11.110 2.771 9.086 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -9.994 4.499 10.424 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.840 3.318 9.838 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -7.981 7.112 9.250 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -8.929 6.392 10.556 1.00 0.00 H new ATOM 1761 N GLY A 111 -11.219 5.348 7.087 1.00 0.00 N ATOM 1762 CA GLY A 111 -12.084 6.394 6.602 1.00 0.00 C ATOM 1763 C GLY A 111 -13.402 5.842 6.105 1.00 0.00 C ATOM 1764 O GLY A 111 -14.457 6.430 6.347 1.00 0.00 O ATOM 0 H GLY A 111 -10.373 5.201 6.536 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -12.268 7.114 7.400 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -11.587 6.933 5.795 1.00 0.00 H new ATOM 1768 N TRP A 112 -13.350 4.707 5.404 1.00 0.00 N ATOM 1769 CA TRP A 112 -14.568 4.101 4.886 1.00 0.00 C ATOM 1770 C TRP A 112 -15.449 3.602 6.029 1.00 0.00 C ATOM 1771 O TRP A 112 -16.607 3.975 6.130 1.00 0.00 O ATOM 1772 CB TRP A 112 -14.217 2.930 3.956 1.00 0.00 C ATOM 1773 CG TRP A 112 -14.987 1.712 4.310 1.00 0.00 C ATOM 1774 CD1 TRP A 112 -16.319 1.673 4.553 1.00 0.00 C ATOM 1775 CD2 TRP A 112 -14.497 0.383 4.500 1.00 0.00 C ATOM 1776 NE1 TRP A 112 -16.693 0.427 4.921 1.00 0.00 N ATOM 1777 CE2 TRP A 112 -15.598 -0.403 4.878 1.00 0.00 C ATOM 1778 CE3 TRP A 112 -13.242 -0.220 4.389 1.00 0.00 C ATOM 1779 CZ2 TRP A 112 -15.484 -1.764 5.151 1.00 0.00 C ATOM 1780 CZ3 TRP A 112 -13.128 -1.571 4.657 1.00 0.00 C ATOM 1781 CH2 TRP A 112 -14.244 -2.330 5.034 1.00 0.00 C ATOM 0 H TRP A 112 -12.492 4.200 5.187 1.00 0.00 H new ATOM 0 HA TRP A 112 -15.117 4.857 4.325 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -14.426 3.208 2.923 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -13.149 2.719 4.020 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -16.987 2.517 4.465 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -17.637 0.147 5.188 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -12.377 0.358 4.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -16.342 -2.350 5.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -12.163 -2.049 4.575 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -14.123 -3.384 5.236 1.00 0.00 H new ATOM 1792 N GLU A 113 -14.907 2.757 6.889 1.00 0.00 N ATOM 1793 CA GLU A 113 -15.696 2.232 8.002 1.00 0.00 C ATOM 1794 C GLU A 113 -16.146 3.364 8.925 1.00 0.00 C ATOM 1795 O GLU A 113 -17.324 3.468 9.270 1.00 0.00 O ATOM 1796 CB GLU A 113 -14.915 1.178 8.806 1.00 0.00 C ATOM 1797 CG GLU A 113 -13.552 0.819 8.230 1.00 0.00 C ATOM 1798 CD GLU A 113 -12.876 -0.308 8.986 1.00 0.00 C ATOM 1799 OE1 GLU A 113 -12.598 -0.132 10.190 1.00 0.00 O ATOM 1800 OE2 GLU A 113 -12.626 -1.368 8.373 1.00 0.00 O ATOM 0 H GLU A 113 -13.945 2.422 6.845 1.00 0.00 H new ATOM 0 HA GLU A 113 -16.575 1.748 7.576 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -14.779 1.544 9.824 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -15.517 0.272 8.871 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -13.668 0.532 7.185 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -12.910 1.700 8.249 1.00 0.00 H new ATOM 1807 N ALA A 114 -15.195 4.196 9.326 1.00 0.00 N ATOM 1808 CA ALA A 114 -15.467 5.319 10.220 1.00 0.00 C ATOM 1809 C ALA A 114 -16.334 6.401 9.581 1.00 0.00 C ATOM 1810 O ALA A 114 -17.309 6.853 10.181 1.00 0.00 O ATOM 1811 CB ALA A 114 -14.161 5.939 10.677 1.00 0.00 C ATOM 0 H ALA A 114 -14.218 4.115 9.044 1.00 0.00 H new ATOM 0 HA ALA A 114 -16.023 4.914 11.066 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -14.369 6.776 11.343 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -13.569 5.192 11.206 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.604 6.295 9.810 1.00 0.00 H new ATOM 1817 N SER A 115 -15.959 6.847 8.383 1.00 0.00 N ATOM 1818 CA SER A 115 -16.707 7.913 7.715 1.00 0.00 C ATOM 1819 C SER A 115 -17.174 7.512 6.320 1.00 0.00 C ATOM 1820 O SER A 115 -17.154 8.322 5.393 1.00 0.00 O ATOM 1821 CB SER A 115 -15.851 9.178 7.631 1.00 0.00 C ATOM 1822 OG SER A 115 -16.653 10.344 7.701 1.00 0.00 O ATOM 0 H SER A 115 -15.156 6.495 7.862 1.00 0.00 H new ATOM 0 HA SER A 115 -17.598 8.105 8.313 1.00 0.00 H new ATOM 0 HB2 SER A 115 -15.125 9.184 8.444 1.00 0.00 H new ATOM 0 HB3 SER A 115 -15.286 9.177 6.699 1.00 0.00 H new ATOM 0 HG SER A 115 -16.081 11.138 7.647 1.00 0.00 H new ATOM 1828 N GLY A 116 -17.604 6.268 6.177 1.00 0.00 N ATOM 1829 CA GLY A 116 -18.081 5.798 4.883 1.00 0.00 C ATOM 1830 C GLY A 116 -18.733 4.431 4.955 1.00 0.00 C ATOM 1831 O GLY A 116 -18.714 3.682 3.979 1.00 0.00 O ATOM 0 H GLY A 116 -17.633 5.575 6.925 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -18.797 6.516 4.483 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -17.244 5.760 4.185 1.00 0.00 H new ATOM 1835 N LYS A 117 -19.302 4.110 6.120 1.00 0.00 N ATOM 1836 CA LYS A 117 -19.970 2.822 6.363 1.00 0.00 C ATOM 1837 C LYS A 117 -20.328 2.086 5.065 1.00 0.00 C ATOM 1838 O LYS A 117 -19.875 0.963 4.839 1.00 0.00 O ATOM 1839 CB LYS A 117 -21.226 3.040 7.217 1.00 0.00 C ATOM 1840 CG LYS A 117 -22.127 1.817 7.328 1.00 0.00 C ATOM 1841 CD LYS A 117 -23.473 2.171 7.940 1.00 0.00 C ATOM 1842 CE LYS A 117 -24.535 2.371 6.870 1.00 0.00 C ATOM 1843 NZ LYS A 117 -24.951 1.081 6.253 1.00 0.00 N ATOM 0 H LYS A 117 -19.314 4.736 6.926 1.00 0.00 H new ATOM 0 HA LYS A 117 -19.265 2.187 6.899 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -20.922 3.345 8.218 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -21.801 3.863 6.793 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -22.278 1.384 6.339 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -21.638 1.057 7.937 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -23.785 1.378 8.620 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -23.377 3.080 8.533 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -25.404 2.861 7.308 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -24.151 3.036 6.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -25.845 1.215 5.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -24.215 0.759 5.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -25.084 0.367 6.997 1.00 0.00 H new ATOM 1857 N PRO A 118 -21.158 2.696 4.200 1.00 0.00 N ATOM 1858 CA PRO A 118 -21.580 2.075 2.939 1.00 0.00 C ATOM 1859 C PRO A 118 -20.419 1.713 2.011 1.00 0.00 C ATOM 1860 O PRO A 118 -20.131 2.431 1.052 1.00 0.00 O ATOM 1861 CB PRO A 118 -22.470 3.140 2.283 1.00 0.00 C ATOM 1862 CG PRO A 118 -22.140 4.413 2.984 1.00 0.00 C ATOM 1863 CD PRO A 118 -21.772 4.023 4.383 1.00 0.00 C ATOM 0 HA PRO A 118 -22.083 1.126 3.127 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -22.270 3.216 1.214 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -23.526 2.893 2.393 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -21.315 4.928 2.492 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -22.991 5.095 2.979 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -21.076 4.732 4.831 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -22.645 3.979 5.034 1.00 0.00 H new ATOM 1871 N VAL A 119 -19.781 0.574 2.276 1.00 0.00 N ATOM 1872 CA VAL A 119 -18.684 0.096 1.437 1.00 0.00 C ATOM 1873 C VAL A 119 -19.263 -0.829 0.353 1.00 0.00 C ATOM 1874 O VAL A 119 -20.281 -1.478 0.589 1.00 0.00 O ATOM 1875 CB VAL A 119 -17.562 -0.576 2.274 1.00 0.00 C ATOM 1876 CG1 VAL A 119 -18.111 -1.570 3.285 1.00 0.00 C ATOM 1877 CG2 VAL A 119 -16.516 -1.225 1.387 1.00 0.00 C ATOM 0 H VAL A 119 -20.005 -0.034 3.064 1.00 0.00 H new ATOM 0 HA VAL A 119 -18.200 0.942 0.948 1.00 0.00 H new ATOM 0 HB VAL A 119 -17.077 0.221 2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -17.287 -2.012 3.845 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -18.782 -1.056 3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -18.658 -2.355 2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -15.747 -1.685 2.008 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -16.987 -1.988 0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -16.061 -0.469 0.747 1.00 0.00 H new ATOM 1887 N CYS A 120 -18.640 -0.849 -0.842 1.00 0.00 N ATOM 1888 CA CYS A 120 -19.131 -1.649 -1.997 1.00 0.00 C ATOM 1889 C CYS A 120 -20.623 -2.023 -1.891 1.00 0.00 C ATOM 1890 O CYS A 120 -21.425 -1.274 -1.335 1.00 0.00 O ATOM 1891 CB CYS A 120 -18.282 -2.901 -2.169 1.00 0.00 C ATOM 1892 SG CYS A 120 -17.927 -3.381 -3.875 1.00 0.00 S ATOM 0 H CYS A 120 -17.791 -0.319 -1.039 1.00 0.00 H new ATOM 0 HA CYS A 120 -19.035 -1.014 -2.878 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -17.336 -2.750 -1.649 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -18.788 -3.731 -1.675 1.00 0.00 H new ATOM 1897 N ARG A 121 -20.981 -3.182 -2.451 1.00 0.00 N ATOM 1898 CA ARG A 121 -22.357 -3.683 -2.454 1.00 0.00 C ATOM 1899 C ARG A 121 -22.436 -4.888 -3.386 1.00 0.00 C ATOM 1900 O ARG A 121 -23.281 -4.953 -4.278 1.00 0.00 O ATOM 1901 CB ARG A 121 -23.339 -2.599 -2.913 1.00 0.00 C ATOM 1902 CG ARG A 121 -24.784 -3.072 -2.965 1.00 0.00 C ATOM 1903 CD ARG A 121 -25.618 -2.441 -1.861 1.00 0.00 C ATOM 1904 NE ARG A 121 -26.876 -3.155 -1.650 1.00 0.00 N ATOM 1905 CZ ARG A 121 -27.684 -2.944 -0.613 1.00 0.00 C ATOM 1906 NH1 ARG A 121 -27.368 -2.044 0.311 1.00 0.00 N ATOM 1907 NH2 ARG A 121 -28.809 -3.635 -0.498 1.00 0.00 N ATOM 0 H ARG A 121 -20.319 -3.802 -2.918 1.00 0.00 H new ATOM 0 HA ARG A 121 -22.633 -3.972 -1.440 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -23.268 -1.746 -2.238 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -23.044 -2.248 -3.902 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -25.215 -2.823 -3.935 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -24.816 -4.157 -2.871 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -25.046 -2.433 -0.933 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -25.829 -1.402 -2.114 1.00 0.00 H new ATOM 0 HE ARG A 121 -27.151 -3.856 -2.338 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -26.503 -1.510 0.228 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -27.991 -1.886 1.103 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -29.056 -4.329 -1.204 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -29.428 -3.473 0.296 1.00 0.00 H new ATOM 1921 N CYS A 122 -21.510 -5.818 -3.187 1.00 0.00 N ATOM 1922 CA CYS A 122 -21.409 -7.014 -4.017 1.00 0.00 C ATOM 1923 C CYS A 122 -22.436 -8.087 -3.661 1.00 0.00 C ATOM 1924 O CYS A 122 -23.341 -7.882 -2.852 1.00 0.00 O ATOM 1925 CB CYS A 122 -20.004 -7.610 -3.885 1.00 0.00 C ATOM 1926 SG CYS A 122 -18.678 -6.506 -4.404 1.00 0.00 S ATOM 0 H CYS A 122 -20.809 -5.766 -2.448 1.00 0.00 H new ATOM 0 HA CYS A 122 -21.611 -6.700 -5.041 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -19.839 -7.894 -2.846 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -19.953 -8.524 -4.477 1.00 0.00 H new ATOM 1931 N ALA A 123 -22.234 -9.247 -4.277 1.00 0.00 N ATOM 1932 CA ALA A 123 -23.045 -10.433 -4.090 1.00 0.00 C ATOM 1933 C ALA A 123 -22.133 -11.584 -4.442 1.00 0.00 C ATOM 1934 O ALA A 123 -21.978 -12.549 -3.692 1.00 0.00 O ATOM 1935 CB ALA A 123 -24.281 -10.409 -4.977 1.00 0.00 C ATOM 0 H ALA A 123 -21.473 -9.386 -4.942 1.00 0.00 H new ATOM 0 HA ALA A 123 -23.424 -10.511 -3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -24.866 -11.314 -4.811 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -24.886 -9.536 -4.734 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -23.977 -10.360 -6.023 1.00 0.00 H new ATOM 1941 N GLU A 124 -21.460 -11.401 -5.576 1.00 0.00 N ATOM 1942 CA GLU A 124 -20.467 -12.326 -6.054 1.00 0.00 C ATOM 1943 C GLU A 124 -19.816 -11.830 -7.323 1.00 0.00 C ATOM 1944 O GLU A 124 -20.453 -11.278 -8.221 1.00 0.00 O ATOM 1945 CB GLU A 124 -20.989 -13.719 -6.272 1.00 0.00 C ATOM 1946 CG GLU A 124 -22.491 -13.894 -6.108 1.00 0.00 C ATOM 1947 CD GLU A 124 -23.049 -14.987 -6.999 1.00 0.00 C ATOM 1948 OE1 GLU A 124 -22.711 -15.000 -8.202 1.00 0.00 O ATOM 1949 OE2 GLU A 124 -23.822 -15.828 -6.495 1.00 0.00 O ATOM 0 H GLU A 124 -21.599 -10.595 -6.186 1.00 0.00 H new ATOM 0 HA GLU A 124 -19.726 -12.381 -5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -20.712 -14.038 -7.277 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -20.486 -14.389 -5.575 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -22.715 -14.129 -5.067 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -22.990 -12.953 -6.337 1.00 0.00 H new ATOM 1956 N VAL A 125 -18.520 -12.040 -7.346 1.00 0.00 N ATOM 1957 CA VAL A 125 -17.655 -11.644 -8.450 1.00 0.00 C ATOM 1958 C VAL A 125 -17.942 -10.239 -9.022 1.00 0.00 C ATOM 1959 O VAL A 125 -17.619 -9.997 -10.186 1.00 0.00 O ATOM 1960 CB VAL A 125 -17.743 -12.663 -9.599 1.00 0.00 C ATOM 1961 CG1 VAL A 125 -17.219 -14.019 -9.150 1.00 0.00 C ATOM 1962 CG2 VAL A 125 -19.174 -12.776 -10.103 1.00 0.00 C ATOM 0 H VAL A 125 -18.020 -12.500 -6.585 1.00 0.00 H new ATOM 0 HA VAL A 125 -16.654 -11.615 -8.019 1.00 0.00 H new ATOM 0 HB VAL A 125 -17.119 -12.312 -10.421 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -17.289 -14.728 -9.975 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -16.178 -13.923 -8.841 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -17.814 -14.380 -8.311 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -19.217 -13.501 -10.916 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -19.821 -13.103 -9.290 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -19.510 -11.804 -10.465 1.00 0.00 H new ATOM 1972 N PRO A 126 -18.553 -9.275 -8.276 1.00 0.00 N ATOM 1973 CA PRO A 126 -18.840 -7.960 -8.806 1.00 0.00 C ATOM 1974 C PRO A 126 -17.967 -6.866 -8.193 1.00 0.00 C ATOM 1975 O PRO A 126 -18.117 -5.691 -8.527 1.00 0.00 O ATOM 1976 CB PRO A 126 -20.275 -7.789 -8.337 1.00 0.00 C ATOM 1977 CG PRO A 126 -20.293 -8.437 -6.981 1.00 0.00 C ATOM 1978 CD PRO A 126 -19.057 -9.323 -6.892 1.00 0.00 C ATOM 0 HA PRO A 126 -18.666 -7.880 -9.879 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -20.554 -6.737 -8.280 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -20.978 -8.269 -9.018 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -20.284 -7.683 -6.194 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -21.200 -9.027 -6.848 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -18.329 -8.939 -6.178 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -19.303 -10.338 -6.581 1.00 0.00 H new ATOM 1986 N CYS A 127 -17.072 -7.244 -7.276 1.00 0.00 N ATOM 1987 CA CYS A 127 -16.215 -6.258 -6.617 1.00 0.00 C ATOM 1988 C CYS A 127 -15.453 -5.413 -7.627 1.00 0.00 C ATOM 1989 O CYS A 127 -15.673 -5.521 -8.833 1.00 0.00 O ATOM 1990 CB CYS A 127 -15.246 -6.924 -5.644 1.00 0.00 C ATOM 1991 SG CYS A 127 -15.052 -6.008 -4.097 1.00 0.00 S ATOM 0 H CYS A 127 -16.924 -8.208 -6.978 1.00 0.00 H new ATOM 0 HA CYS A 127 -16.870 -5.597 -6.049 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -15.599 -7.931 -5.421 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -14.272 -7.026 -6.123 1.00 0.00 H new ATOM 1996 N LYS A 128 -14.577 -4.545 -7.128 1.00 0.00 N ATOM 1997 CA LYS A 128 -13.821 -3.658 -7.999 1.00 0.00 C ATOM 1998 C LYS A 128 -12.323 -3.885 -7.948 1.00 0.00 C ATOM 1999 O LYS A 128 -11.648 -3.743 -8.969 1.00 0.00 O ATOM 2000 CB LYS A 128 -14.081 -2.185 -7.629 1.00 0.00 C ATOM 2001 CG LYS A 128 -15.548 -1.791 -7.689 1.00 0.00 C ATOM 2002 CD LYS A 128 -16.169 -2.159 -9.027 1.00 0.00 C ATOM 2003 CE LYS A 128 -17.305 -1.217 -9.391 1.00 0.00 C ATOM 2004 NZ LYS A 128 -18.373 -1.908 -10.165 1.00 0.00 N ATOM 0 H LYS A 128 -14.376 -4.439 -6.134 1.00 0.00 H new ATOM 0 HA LYS A 128 -14.167 -3.885 -9.007 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -13.705 -2.000 -6.623 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -13.514 -1.544 -8.304 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -16.092 -2.287 -6.885 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -15.645 -0.718 -7.525 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -15.406 -2.128 -9.805 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -16.542 -3.182 -8.987 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -17.732 -0.794 -8.481 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -16.913 -0.385 -9.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -19.129 -1.231 -10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -17.972 -2.290 -11.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -18.765 -2.686 -9.597 1.00 0.00 H new ATOM 2018 N GLY A 129 -11.765 -4.090 -6.752 1.00 0.00 N ATOM 2019 CA GLY A 129 -10.324 -4.140 -6.673 1.00 0.00 C ATOM 2020 C GLY A 129 -9.890 -2.751 -7.058 1.00 0.00 C ATOM 2021 O GLY A 129 -8.805 -2.502 -7.586 1.00 0.00 O ATOM 0 H GLY A 129 -12.267 -4.217 -5.873 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -9.988 -4.399 -5.669 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -9.913 -4.889 -7.350 1.00 0.00 H new ATOM 2025 N ASP A 130 -10.846 -1.861 -6.788 1.00 0.00 N ATOM 2026 CA ASP A 130 -10.781 -0.452 -7.063 1.00 0.00 C ATOM 2027 C ASP A 130 -11.445 0.306 -5.922 1.00 0.00 C ATOM 2028 O ASP A 130 -12.414 -0.176 -5.313 1.00 0.00 O ATOM 2029 CB ASP A 130 -11.474 -0.128 -8.388 1.00 0.00 C ATOM 2030 CG ASP A 130 -10.786 0.992 -9.144 1.00 0.00 C ATOM 2031 OD1 ASP A 130 -10.254 1.911 -8.486 1.00 0.00 O ATOM 2032 OD2 ASP A 130 -10.778 0.949 -10.392 1.00 0.00 O ATOM 0 H ASP A 130 -11.726 -2.132 -6.349 1.00 0.00 H new ATOM 0 HA ASP A 130 -9.737 -0.150 -7.147 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -11.496 -1.022 -9.011 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -12.510 0.151 -8.194 1.00 0.00 H new ATOM 2037 N CYS A 131 -10.904 1.469 -5.635 1.00 0.00 N ATOM 2038 CA CYS A 131 -11.410 2.329 -4.570 1.00 0.00 C ATOM 2039 C CYS A 131 -12.569 3.185 -5.068 1.00 0.00 C ATOM 2040 O CYS A 131 -13.477 3.523 -4.307 1.00 0.00 O ATOM 2041 CB CYS A 131 -10.290 3.225 -4.036 1.00 0.00 C ATOM 2042 SG CYS A 131 -9.307 2.471 -2.719 1.00 0.00 S ATOM 0 H CYS A 131 -10.099 1.853 -6.130 1.00 0.00 H new ATOM 0 HA CYS A 131 -11.773 1.693 -3.763 1.00 0.00 H new ATOM 0 HB2 CYS A 131 -9.629 3.493 -4.860 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -10.727 4.152 -3.664 1.00 0.00 H new ATOM 0 HG CYS A 131 -8.385 3.303 -2.335 1.00 0.00 H new ATOM 2048 N ALA A 132 -12.535 3.531 -6.352 1.00 0.00 N ATOM 2049 CA ALA A 132 -13.585 4.347 -6.952 1.00 0.00 C ATOM 2050 C ALA A 132 -13.767 5.657 -6.194 1.00 0.00 C ATOM 2051 O ALA A 132 -14.837 6.283 -6.343 1.00 0.00 O ATOM 2052 CB ALA A 132 -14.894 3.574 -6.992 1.00 0.00 C ATOM 2053 OXT ALA A 132 -12.837 6.046 -5.456 1.00 0.00 O ATOM 0 H ALA A 132 -11.792 3.259 -6.996 1.00 0.00 H new ATOM 0 HA ALA A 132 -13.284 4.588 -7.972 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -15.669 4.194 -7.442 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -14.764 2.669 -7.585 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -15.188 3.304 -5.978 1.00 0.00 H new TER 2059 ALA A 132 HETATM 2060 ZN ZN A 201 -17.117 -5.646 -3.108 1.00 0.00 ZN