USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=29 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 8 SER OG : rot 180:sc= -0.405 USER MOD Set 1.2: A 101 ASN : amide:sc= -1.8 K(o=-6.1,f=-18!) USER MOD Set 1.3: A 103 MET CE :methyl -146:sc= -3.89 (180deg=-2.41!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.973 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= -1.36! C(o=-1.4!,f=-3.9!) USER MOD Single : A 19 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.59) USER MOD Single : A 23 ASN : amide:sc= -4.69! C(o=-4.7!,f=-7.9!) USER MOD Single : A 35 ASN : amide:sc= -0.623 K(o=-0.62,f=-4.4!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HE2:sc= -19.9! C(o=-20!,f=-20!) USER MOD Single : A 43 SER OG : rot 110:sc= -0.0545 USER MOD Single : A 45 HIS : no HE2:sc= -5.59 X(o=-5.6,f=-5.2!) USER MOD Single : A 46 TYR OH : rot 100:sc= -2.41 USER MOD Single : A 48 SER OG : rot -6:sc= 0.892 USER MOD Single : A 50 SER OG : rot 61:sc= 0.751 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HE2:sc= -0.0721 X(o=-0.072,f=-0.29) USER MOD Single : A 60 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.17) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.854 F(o=-4.6!,f=-0.85) USER MOD Single : A 63 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0132) USER MOD Single : A 65 LYS NZ :NH3+ -165:sc=-0.00708 (180deg=-0.139) USER MOD Single : A 67 THR OG1 : rot -94:sc= 0.879 USER MOD Single : A 71 HIS : no HE2:sc= -21! C(o=-21!,f=-23!) USER MOD Single : A 72 SER OG : rot 180:sc= -0.0705 USER MOD Single : A 75 SER OG : rot 50:sc= 0.97 USER MOD Single : A 76 GLN : amide:sc= 0.404 K(o=0.4,f=-0.6) USER MOD Single : A 81 THR OG1 : rot -170:sc= -0.973 USER MOD Single : A 82 CYS SG : rot 59:sc= -3.48 USER MOD Single : A 88 ASN : amide:sc= -13.9! C(o=-14!,f=-28!) USER MOD Single : A 89 TYR OH : rot 120:sc= -2.02 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.446 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 SER OG : rot 63:sc= 1.04 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= -0.159 (180deg=-0.159) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 CYS SG : rot 180:sc= -0.494 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.425 20.278 9.577 1.00 0.00 N ATOM 2 CA MET A 1 6.361 20.557 8.577 1.00 0.00 C ATOM 3 C MET A 1 6.235 19.416 7.572 1.00 0.00 C ATOM 4 O MET A 1 6.363 19.619 6.365 1.00 0.00 O ATOM 5 CB MET A 1 6.701 21.865 7.859 1.00 0.00 C ATOM 6 CG MET A 1 6.410 23.107 8.685 1.00 0.00 C ATOM 7 SD MET A 1 6.602 24.630 7.739 1.00 0.00 S ATOM 8 CE MET A 1 7.135 25.760 9.023 1.00 0.00 C ATOM 0 H1 MET A 1 7.488 21.071 10.247 1.00 0.00 H new ATOM 0 H2 MET A 1 7.196 19.405 10.094 1.00 0.00 H new ATOM 0 H3 MET A 1 8.337 20.163 9.091 1.00 0.00 H new ATOM 0 HA MET A 1 5.402 20.648 9.087 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.757 21.858 7.589 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.135 21.917 6.929 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.393 23.051 9.073 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.079 23.131 9.545 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.296 26.749 8.594 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.369 25.820 9.796 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.065 25.399 9.462 1.00 0.00 H new ATOM 18 N ALA A 2 5.980 18.214 8.079 1.00 0.00 N ATOM 19 CA ALA A 2 5.833 17.040 7.228 1.00 0.00 C ATOM 20 C ALA A 2 7.112 16.763 6.443 1.00 0.00 C ATOM 21 O ALA A 2 7.066 16.450 5.254 1.00 0.00 O ATOM 22 CB ALA A 2 4.657 17.221 6.280 1.00 0.00 C ATOM 0 H ALA A 2 5.871 18.028 9.076 1.00 0.00 H new ATOM 0 HA ALA A 2 5.641 16.180 7.869 1.00 0.00 H new ATOM 0 HB1 ALA A 2 4.558 16.337 5.650 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.743 17.359 6.857 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.826 18.096 5.653 1.00 0.00 H new ATOM 28 N MET A 3 8.253 16.881 7.116 1.00 0.00 N ATOM 29 CA MET A 3 9.542 16.642 6.480 1.00 0.00 C ATOM 30 C MET A 3 9.821 15.147 6.364 1.00 0.00 C ATOM 31 O MET A 3 9.458 14.368 7.244 1.00 0.00 O ATOM 32 CB MET A 3 10.660 17.322 7.274 1.00 0.00 C ATOM 33 CG MET A 3 12.039 17.135 6.662 1.00 0.00 C ATOM 34 SD MET A 3 13.037 18.637 6.724 1.00 0.00 S ATOM 35 CE MET A 3 13.538 18.783 5.010 1.00 0.00 C ATOM 0 H MET A 3 8.310 17.141 8.101 1.00 0.00 H new ATOM 0 HA MET A 3 9.509 17.066 5.477 1.00 0.00 H new ATOM 0 HB2 MET A 3 10.446 18.388 7.348 1.00 0.00 H new ATOM 0 HB3 MET A 3 10.665 16.927 8.290 1.00 0.00 H new ATOM 0 HG2 MET A 3 12.560 16.335 7.188 1.00 0.00 H new ATOM 0 HG3 MET A 3 11.932 16.817 5.625 1.00 0.00 H new ATOM 0 HE1 MET A 3 14.163 19.668 4.888 1.00 0.00 H new ATOM 0 HE2 MET A 3 14.102 17.897 4.719 1.00 0.00 H new ATOM 0 HE3 MET A 3 12.654 18.873 4.379 1.00 0.00 H new ATOM 45 N ALA A 4 10.469 14.753 5.272 1.00 0.00 N ATOM 46 CA ALA A 4 10.794 13.349 5.044 1.00 0.00 C ATOM 47 C ALA A 4 11.626 13.176 3.777 1.00 0.00 C ATOM 48 O ALA A 4 11.656 14.057 2.918 1.00 0.00 O ATOM 49 CB ALA A 4 9.522 12.520 4.959 1.00 0.00 C ATOM 0 H ALA A 4 10.779 15.384 4.533 1.00 0.00 H new ATOM 0 HA ALA A 4 11.388 12.998 5.888 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.780 11.475 4.789 1.00 0.00 H new ATOM 0 HB2 ALA A 4 8.966 12.609 5.893 1.00 0.00 H new ATOM 0 HB3 ALA A 4 8.907 12.881 4.135 1.00 0.00 H new ATOM 55 N ARG A 5 12.298 12.034 3.668 1.00 0.00 N ATOM 56 CA ARG A 5 13.128 11.744 2.504 1.00 0.00 C ATOM 57 C ARG A 5 12.739 10.407 1.883 1.00 0.00 C ATOM 58 O ARG A 5 12.702 9.382 2.564 1.00 0.00 O ATOM 59 CB ARG A 5 14.605 11.726 2.899 1.00 0.00 C ATOM 60 CG ARG A 5 15.529 12.276 1.825 1.00 0.00 C ATOM 61 CD ARG A 5 15.284 13.756 1.579 1.00 0.00 C ATOM 62 NE ARG A 5 15.128 14.057 0.158 1.00 0.00 N ATOM 63 CZ ARG A 5 14.593 15.183 -0.308 1.00 0.00 C ATOM 64 NH1 ARG A 5 14.162 16.118 0.531 1.00 0.00 N ATOM 65 NH2 ARG A 5 14.489 15.376 -1.615 1.00 0.00 N ATOM 0 H ARG A 5 12.284 11.295 4.371 1.00 0.00 H new ATOM 0 HA ARG A 5 12.967 12.529 1.765 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.736 12.308 3.811 1.00 0.00 H new ATOM 0 HB3 ARG A 5 14.898 10.702 3.129 1.00 0.00 H new ATOM 0 HG2 ARG A 5 16.566 12.123 2.124 1.00 0.00 H new ATOM 0 HG3 ARG A 5 15.379 11.723 0.898 1.00 0.00 H new ATOM 0 HD2 ARG A 5 14.389 14.069 2.116 1.00 0.00 H new ATOM 0 HD3 ARG A 5 16.116 14.333 1.982 1.00 0.00 H new ATOM 0 HE ARG A 5 15.448 13.363 -0.517 1.00 0.00 H new ATOM 0 HH11 ARG A 5 14.240 15.975 1.538 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.753 16.979 0.168 1.00 0.00 H new ATOM 0 HH21 ARG A 5 14.819 14.662 -2.264 1.00 0.00 H new ATOM 0 HH22 ARG A 5 14.079 16.239 -1.972 1.00 0.00 H new ATOM 79 N SER A 6 12.451 10.424 0.584 1.00 0.00 N ATOM 80 CA SER A 6 12.063 9.212 -0.134 1.00 0.00 C ATOM 81 C SER A 6 10.682 8.737 0.308 1.00 0.00 C ATOM 82 O SER A 6 9.728 8.761 -0.470 1.00 0.00 O ATOM 83 CB SER A 6 13.094 8.101 0.086 1.00 0.00 C ATOM 84 OG SER A 6 13.150 7.230 -1.030 1.00 0.00 O ATOM 0 H SER A 6 12.479 11.264 0.006 1.00 0.00 H new ATOM 0 HA SER A 6 12.024 9.450 -1.197 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.076 8.541 0.258 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.838 7.534 0.981 1.00 0.00 H new ATOM 0 HG SER A 6 13.817 6.531 -0.866 1.00 0.00 H new ATOM 90 N ILE A 7 10.582 8.307 1.561 1.00 0.00 N ATOM 91 CA ILE A 7 9.317 7.829 2.110 1.00 0.00 C ATOM 92 C ILE A 7 8.487 8.994 2.638 1.00 0.00 C ATOM 93 O ILE A 7 8.847 9.619 3.636 1.00 0.00 O ATOM 94 CB ILE A 7 9.533 6.811 3.253 1.00 0.00 C ATOM 95 CG1 ILE A 7 10.814 5.999 3.029 1.00 0.00 C ATOM 96 CG2 ILE A 7 8.329 5.887 3.365 1.00 0.00 C ATOM 97 CD1 ILE A 7 10.888 5.337 1.669 1.00 0.00 C ATOM 0 H ILE A 7 11.363 8.279 2.217 1.00 0.00 H new ATOM 0 HA ILE A 7 8.787 7.333 1.297 1.00 0.00 H new ATOM 0 HB ILE A 7 9.643 7.361 4.187 1.00 0.00 H new ATOM 0 HG12 ILE A 7 11.675 6.656 3.150 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.887 5.232 3.800 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.492 5.174 4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 7 7.436 6.476 3.575 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.195 5.348 2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 7 11.822 4.781 1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.047 4.653 1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 7 10.848 6.099 0.891 1.00 0.00 H new ATOM 109 N SER A 8 7.382 9.294 1.961 1.00 0.00 N ATOM 110 CA SER A 8 6.522 10.400 2.373 1.00 0.00 C ATOM 111 C SER A 8 5.044 10.018 2.337 1.00 0.00 C ATOM 112 O SER A 8 4.584 9.345 1.424 1.00 0.00 O ATOM 113 CB SER A 8 6.760 11.615 1.476 1.00 0.00 C ATOM 114 OG SER A 8 6.998 11.222 0.136 1.00 0.00 O ATOM 0 H SER A 8 7.063 8.792 1.132 1.00 0.00 H new ATOM 0 HA SER A 8 6.780 10.646 3.403 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.894 12.275 1.516 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.612 12.184 1.848 1.00 0.00 H new ATOM 0 HG SER A 8 7.145 12.018 -0.417 1.00 0.00 H new ATOM 120 N TYR A 9 4.311 10.477 3.341 1.00 0.00 N ATOM 121 CA TYR A 9 2.871 10.212 3.451 1.00 0.00 C ATOM 122 C TYR A 9 2.074 11.241 2.667 1.00 0.00 C ATOM 123 O TYR A 9 2.544 12.351 2.421 1.00 0.00 O ATOM 124 CB TYR A 9 2.396 10.210 4.915 1.00 0.00 C ATOM 125 CG TYR A 9 3.240 11.040 5.853 1.00 0.00 C ATOM 126 CD1 TYR A 9 3.818 12.219 5.420 1.00 0.00 C ATOM 127 CD2 TYR A 9 3.459 10.643 7.165 1.00 0.00 C ATOM 128 CE1 TYR A 9 4.593 12.986 6.262 1.00 0.00 C ATOM 129 CE2 TYR A 9 4.235 11.405 8.019 1.00 0.00 C ATOM 130 CZ TYR A 9 4.800 12.576 7.561 1.00 0.00 C ATOM 131 OH TYR A 9 5.573 13.340 8.406 1.00 0.00 O ATOM 0 H TYR A 9 4.689 11.041 4.102 1.00 0.00 H new ATOM 0 HA TYR A 9 2.700 9.220 3.034 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.370 10.577 4.950 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.380 9.182 5.276 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.659 12.545 4.403 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.017 9.725 7.524 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.036 13.904 5.906 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.397 11.085 9.038 1.00 0.00 H new ATOM 0 HH TYR A 9 5.618 12.911 9.286 1.00 0.00 H new ATOM 141 N ILE A 10 0.865 10.863 2.271 1.00 0.00 N ATOM 142 CA ILE A 10 0.006 11.754 1.506 1.00 0.00 C ATOM 143 C ILE A 10 -1.331 11.932 2.211 1.00 0.00 C ATOM 144 O ILE A 10 -1.908 10.972 2.709 1.00 0.00 O ATOM 145 CB ILE A 10 -0.240 11.207 0.086 1.00 0.00 C ATOM 146 CG1 ILE A 10 1.091 10.986 -0.637 1.00 0.00 C ATOM 147 CG2 ILE A 10 -1.136 12.148 -0.708 1.00 0.00 C ATOM 148 CD1 ILE A 10 1.914 12.246 -0.789 1.00 0.00 C ATOM 0 H ILE A 10 0.459 9.948 2.467 1.00 0.00 H new ATOM 0 HA ILE A 10 0.513 12.716 1.429 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.750 10.248 0.170 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.674 10.245 -0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.894 10.570 -1.625 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.296 11.742 -1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.095 12.252 -0.201 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.659 13.125 -0.786 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.843 12.013 -1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.350 12.982 -1.363 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.143 12.652 0.196 1.00 0.00 H new ATOM 160 N THR A 11 -1.800 13.178 2.266 1.00 0.00 N ATOM 161 CA THR A 11 -3.061 13.509 2.931 1.00 0.00 C ATOM 162 C THR A 11 -4.257 13.364 1.989 1.00 0.00 C ATOM 163 O THR A 11 -4.093 13.164 0.786 1.00 0.00 O ATOM 164 CB THR A 11 -3.007 14.932 3.490 1.00 0.00 C ATOM 165 OG1 THR A 11 -1.960 15.672 2.887 1.00 0.00 O ATOM 166 CG2 THR A 11 -2.794 14.975 4.988 1.00 0.00 C ATOM 0 H THR A 11 -1.322 13.980 1.855 1.00 0.00 H new ATOM 0 HA THR A 11 -3.194 12.802 3.750 1.00 0.00 H new ATOM 0 HB THR A 11 -3.979 15.369 3.261 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.945 16.579 3.258 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.765 16.012 5.322 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.612 14.456 5.487 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.851 14.488 5.236 1.00 0.00 H new ATOM 174 N SER A 12 -5.461 13.461 2.558 1.00 0.00 N ATOM 175 CA SER A 12 -6.707 13.338 1.792 1.00 0.00 C ATOM 176 C SER A 12 -6.624 14.059 0.447 1.00 0.00 C ATOM 177 O SER A 12 -6.442 13.426 -0.592 1.00 0.00 O ATOM 178 CB SER A 12 -7.878 13.893 2.604 1.00 0.00 C ATOM 179 OG SER A 12 -9.072 13.899 1.841 1.00 0.00 O ATOM 0 H SER A 12 -5.601 13.626 3.555 1.00 0.00 H new ATOM 0 HA SER A 12 -6.866 12.278 1.593 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.020 13.291 3.502 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.648 14.906 2.933 1.00 0.00 H new ATOM 0 HG SER A 12 -9.805 14.257 2.384 1.00 0.00 H new ATOM 185 N THR A 13 -6.756 15.385 0.465 1.00 0.00 N ATOM 186 CA THR A 13 -6.688 16.167 -0.766 1.00 0.00 C ATOM 187 C THR A 13 -5.331 16.000 -1.416 1.00 0.00 C ATOM 188 O THR A 13 -5.224 15.920 -2.639 1.00 0.00 O ATOM 189 CB THR A 13 -6.964 17.642 -0.508 1.00 0.00 C ATOM 190 OG1 THR A 13 -6.180 18.123 0.570 1.00 0.00 O ATOM 191 CG2 THR A 13 -8.415 17.933 -0.190 1.00 0.00 C ATOM 0 H THR A 13 -6.909 15.935 1.310 1.00 0.00 H new ATOM 0 HA THR A 13 -7.460 15.794 -1.439 1.00 0.00 H new ATOM 0 HB THR A 13 -6.704 18.149 -1.437 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.373 19.073 0.716 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.542 19.002 -0.017 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.040 17.624 -1.028 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.709 17.383 0.704 1.00 0.00 H new ATOM 199 N GLN A 14 -4.294 15.909 -0.595 1.00 0.00 N ATOM 200 CA GLN A 14 -2.949 15.708 -1.113 1.00 0.00 C ATOM 201 C GLN A 14 -2.935 14.430 -1.948 1.00 0.00 C ATOM 202 O GLN A 14 -2.067 14.231 -2.797 1.00 0.00 O ATOM 203 CB GLN A 14 -1.957 15.598 0.044 1.00 0.00 C ATOM 204 CG GLN A 14 -0.507 15.443 -0.390 1.00 0.00 C ATOM 205 CD GLN A 14 -0.051 16.545 -1.327 1.00 0.00 C ATOM 206 OE1 GLN A 14 -0.748 17.539 -1.521 1.00 0.00 O ATOM 207 NE2 GLN A 14 1.131 16.376 -1.910 1.00 0.00 N ATOM 0 H GLN A 14 -4.357 15.970 0.421 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.657 16.554 -1.735 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.044 16.487 0.669 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.232 14.745 0.664 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.132 15.436 0.493 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.381 14.479 -0.883 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.677 15.536 -1.721 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.492 17.087 -2.546 1.00 0.00 H new ATOM 216 N LEU A 15 -3.934 13.581 -1.703 1.00 0.00 N ATOM 217 CA LEU A 15 -4.099 12.334 -2.427 1.00 0.00 C ATOM 218 C LEU A 15 -4.654 12.591 -3.829 1.00 0.00 C ATOM 219 O LEU A 15 -4.489 11.764 -4.724 1.00 0.00 O ATOM 220 CB LEU A 15 -5.031 11.395 -1.657 1.00 0.00 C ATOM 221 CG LEU A 15 -4.841 9.901 -1.937 1.00 0.00 C ATOM 222 CD1 LEU A 15 -5.373 9.544 -3.316 1.00 0.00 C ATOM 223 CD2 LEU A 15 -3.376 9.511 -1.810 1.00 0.00 C ATOM 0 H LEU A 15 -4.649 13.745 -0.994 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.121 11.862 -2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.891 11.567 -0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.062 11.662 -1.891 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.408 9.340 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.229 8.479 -3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.436 9.781 -3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.836 10.116 -4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.264 8.446 -2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.784 10.081 -2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.028 9.726 -0.800 1.00 0.00 H new ATOM 235 N LEU A 16 -5.337 13.729 -4.020 1.00 0.00 N ATOM 236 CA LEU A 16 -5.916 14.035 -5.328 1.00 0.00 C ATOM 237 C LEU A 16 -4.836 14.064 -6.414 1.00 0.00 C ATOM 238 O LEU A 16 -4.952 13.370 -7.426 1.00 0.00 O ATOM 239 CB LEU A 16 -6.656 15.375 -5.285 1.00 0.00 C ATOM 240 CG LEU A 16 -8.061 15.361 -5.888 1.00 0.00 C ATOM 241 CD1 LEU A 16 -8.909 14.275 -5.245 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.720 16.721 -5.724 1.00 0.00 C ATOM 0 H LEU A 16 -5.498 14.435 -3.302 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.627 13.246 -5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.726 15.700 -4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.059 16.119 -5.812 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.978 15.143 -6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.905 14.281 -5.688 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.444 13.303 -5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.987 14.461 -4.174 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.720 16.696 -6.158 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.791 16.966 -4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.123 17.478 -6.232 1.00 0.00 H new ATOM 254 N PRO A 17 -3.760 14.847 -6.216 1.00 0.00 N ATOM 255 CA PRO A 17 -2.663 14.942 -7.164 1.00 0.00 C ATOM 256 C PRO A 17 -1.552 13.939 -6.847 1.00 0.00 C ATOM 257 O PRO A 17 -1.429 12.909 -7.506 1.00 0.00 O ATOM 258 CB PRO A 17 -2.176 16.379 -6.976 1.00 0.00 C ATOM 259 CG PRO A 17 -2.619 16.793 -5.599 1.00 0.00 C ATOM 260 CD PRO A 17 -3.517 15.704 -5.055 1.00 0.00 C ATOM 0 HA PRO A 17 -2.964 14.714 -8.186 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.092 16.439 -7.071 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.599 17.036 -7.736 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.757 16.938 -4.948 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.152 17.743 -5.639 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.036 15.155 -4.245 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.446 16.112 -4.656 1.00 0.00 H new ATOM 268 N LEU A 18 -0.748 14.252 -5.827 1.00 0.00 N ATOM 269 CA LEU A 18 0.353 13.393 -5.398 1.00 0.00 C ATOM 270 C LEU A 18 1.186 12.926 -6.577 1.00 0.00 C ATOM 271 O LEU A 18 1.308 11.733 -6.849 1.00 0.00 O ATOM 272 CB LEU A 18 -0.171 12.201 -4.579 1.00 0.00 C ATOM 273 CG LEU A 18 -0.687 10.997 -5.388 1.00 0.00 C ATOM 274 CD1 LEU A 18 0.272 9.821 -5.267 1.00 0.00 C ATOM 275 CD2 LEU A 18 -2.082 10.594 -4.931 1.00 0.00 C ATOM 0 H LEU A 18 -0.844 15.106 -5.278 1.00 0.00 H new ATOM 0 HA LEU A 18 1.005 13.984 -4.755 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.629 11.857 -3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.978 12.554 -3.937 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.743 11.292 -6.436 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.109 8.979 -5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.251 10.109 -5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.362 9.531 -4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.425 9.741 -5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.055 10.321 -3.876 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.767 11.430 -5.072 1.00 0.00 H new ATOM 287 N HIS A 19 1.764 13.883 -7.276 1.00 0.00 N ATOM 288 CA HIS A 19 2.585 13.573 -8.432 1.00 0.00 C ATOM 289 C HIS A 19 1.704 13.051 -9.553 1.00 0.00 C ATOM 290 O HIS A 19 1.684 11.853 -9.839 1.00 0.00 O ATOM 291 CB HIS A 19 3.655 12.537 -8.070 1.00 0.00 C ATOM 292 CG HIS A 19 4.874 12.605 -8.936 1.00 0.00 C ATOM 293 ND1 HIS A 19 5.372 13.785 -9.445 1.00 0.00 N ATOM 294 CD2 HIS A 19 5.700 11.627 -9.378 1.00 0.00 C ATOM 295 CE1 HIS A 19 6.452 13.530 -10.163 1.00 0.00 C ATOM 296 NE2 HIS A 19 6.672 12.228 -10.139 1.00 0.00 N ATOM 0 H HIS A 19 1.682 14.878 -7.066 1.00 0.00 H new ATOM 0 HA HIS A 19 3.089 14.481 -8.763 1.00 0.00 H new ATOM 0 HB2 HIS A 19 3.950 12.680 -7.030 1.00 0.00 H new ATOM 0 HB3 HIS A 19 3.222 11.539 -8.144 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.611 10.571 -9.170 1.00 0.00 H new ATOM 0 HE1 HIS A 19 7.053 14.262 -10.682 1.00 0.00 H new ATOM 0 HE2 HIS A 19 7.439 11.747 -10.609 1.00 0.00 H new ATOM 305 N ARG A 20 0.966 13.973 -10.169 1.00 0.00 N ATOM 306 CA ARG A 20 0.046 13.659 -11.268 1.00 0.00 C ATOM 307 C ARG A 20 0.544 12.478 -12.095 1.00 0.00 C ATOM 308 O ARG A 20 -0.242 11.642 -12.543 1.00 0.00 O ATOM 309 CB ARG A 20 -0.135 14.884 -12.167 1.00 0.00 C ATOM 310 CG ARG A 20 -0.685 16.100 -11.437 1.00 0.00 C ATOM 311 CD ARG A 20 -2.163 16.304 -11.728 1.00 0.00 C ATOM 312 NE ARG A 20 -3.010 15.509 -10.841 1.00 0.00 N ATOM 313 CZ ARG A 20 -4.332 15.645 -10.761 1.00 0.00 C ATOM 314 NH1 ARG A 20 -4.959 16.542 -11.512 1.00 0.00 N ATOM 315 NH2 ARG A 20 -5.028 14.880 -9.930 1.00 0.00 N ATOM 0 H ARG A 20 0.987 14.962 -9.922 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.914 13.383 -10.831 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.826 15.142 -12.613 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.807 14.627 -12.986 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.538 15.979 -10.364 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.128 16.988 -11.737 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.412 17.359 -11.617 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.369 16.035 -12.764 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.562 14.809 -10.249 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.428 17.131 -12.154 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.972 16.643 -11.447 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.550 14.188 -9.353 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.041 14.984 -9.868 1.00 0.00 H new ATOM 329 N ARG A 21 1.858 12.412 -12.272 1.00 0.00 N ATOM 330 CA ARG A 21 2.487 11.327 -13.023 1.00 0.00 C ATOM 331 C ARG A 21 1.900 9.974 -12.607 1.00 0.00 C ATOM 332 O ARG A 21 1.661 9.741 -11.423 1.00 0.00 O ATOM 333 CB ARG A 21 3.998 11.344 -12.773 1.00 0.00 C ATOM 334 CG ARG A 21 4.781 10.367 -13.634 1.00 0.00 C ATOM 335 CD ARG A 21 5.414 11.061 -14.830 1.00 0.00 C ATOM 336 NE ARG A 21 5.057 10.417 -16.091 1.00 0.00 N ATOM 337 CZ ARG A 21 5.187 10.998 -17.281 1.00 0.00 C ATOM 338 NH1 ARG A 21 5.661 12.235 -17.375 1.00 0.00 N ATOM 339 NH2 ARG A 21 4.841 10.343 -18.381 1.00 0.00 N ATOM 0 H ARG A 21 2.514 13.101 -11.904 1.00 0.00 H new ATOM 0 HA ARG A 21 2.293 11.472 -14.086 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.374 12.351 -12.952 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.184 11.117 -11.723 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.558 9.893 -13.034 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.118 9.574 -13.981 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.097 12.104 -14.853 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.498 11.060 -14.717 1.00 0.00 H new ATOM 0 HE ARG A 21 4.687 9.467 -16.058 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.927 12.744 -16.532 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.759 12.676 -18.290 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.475 9.393 -18.315 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.941 10.789 -19.293 1.00 0.00 H new ATOM 353 N PRO A 22 1.644 9.066 -13.573 1.00 0.00 N ATOM 354 CA PRO A 22 1.072 7.748 -13.285 1.00 0.00 C ATOM 355 C PRO A 22 1.927 6.952 -12.300 1.00 0.00 C ATOM 356 O PRO A 22 2.394 7.487 -11.295 1.00 0.00 O ATOM 357 CB PRO A 22 1.030 7.069 -14.664 1.00 0.00 C ATOM 358 CG PRO A 22 1.019 8.189 -15.634 1.00 0.00 C ATOM 359 CD PRO A 22 1.873 9.252 -15.016 1.00 0.00 C ATOM 0 HA PRO A 22 0.094 7.815 -12.809 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.895 6.423 -14.814 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.144 6.444 -14.771 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.416 7.877 -16.600 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.005 8.550 -15.807 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.924 9.127 -15.277 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.579 10.248 -15.346 1.00 0.00 H new ATOM 367 N ASN A 23 2.128 5.672 -12.587 1.00 0.00 N ATOM 368 CA ASN A 23 2.929 4.813 -11.716 1.00 0.00 C ATOM 369 C ASN A 23 2.431 4.898 -10.268 1.00 0.00 C ATOM 370 O ASN A 23 3.139 5.399 -9.402 1.00 0.00 O ATOM 371 CB ASN A 23 4.398 5.243 -11.764 1.00 0.00 C ATOM 372 CG ASN A 23 4.849 5.648 -13.153 1.00 0.00 C ATOM 373 OD1 ASN A 23 4.341 5.145 -14.155 1.00 0.00 O ATOM 374 ND2 ASN A 23 5.807 6.564 -13.215 1.00 0.00 N ATOM 0 H ASN A 23 1.751 5.205 -13.412 1.00 0.00 H new ATOM 0 HA ASN A 23 2.833 3.786 -12.069 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.549 6.078 -11.080 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.023 4.424 -11.409 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.153 6.880 -14.121 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.198 6.952 -12.357 1.00 0.00 H new ATOM 381 N ILE A 24 1.205 4.438 -10.005 1.00 0.00 N ATOM 382 CA ILE A 24 0.652 4.518 -8.648 1.00 0.00 C ATOM 383 C ILE A 24 -0.017 3.220 -8.189 1.00 0.00 C ATOM 384 O ILE A 24 -0.800 2.615 -8.921 1.00 0.00 O ATOM 385 CB ILE A 24 -0.370 5.669 -8.542 1.00 0.00 C ATOM 386 CG1 ILE A 24 -0.856 5.828 -7.099 1.00 0.00 C ATOM 387 CG2 ILE A 24 -1.546 5.423 -9.476 1.00 0.00 C ATOM 388 CD1 ILE A 24 0.237 6.234 -6.134 1.00 0.00 C ATOM 0 H ILE A 24 0.586 4.015 -10.697 1.00 0.00 H new ATOM 0 HA ILE A 24 1.503 4.702 -7.993 1.00 0.00 H new ATOM 0 HB ILE A 24 0.122 6.594 -8.841 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.649 6.575 -7.072 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.293 4.887 -6.765 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.258 6.244 -9.389 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.188 5.361 -10.504 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.036 4.488 -9.205 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.180 6.328 -5.131 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.021 5.476 -6.132 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.658 7.191 -6.443 1.00 0.00 H new ATOM 400 N ALA A 25 0.285 2.818 -6.950 1.00 0.00 N ATOM 401 CA ALA A 25 -0.294 1.613 -6.354 1.00 0.00 C ATOM 402 C ALA A 25 -0.230 1.677 -4.827 1.00 0.00 C ATOM 403 O ALA A 25 0.834 1.884 -4.252 1.00 0.00 O ATOM 404 CB ALA A 25 0.412 0.366 -6.862 1.00 0.00 C ATOM 0 H ALA A 25 0.932 3.315 -6.338 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.341 1.561 -6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.035 -0.517 -6.405 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.309 0.306 -7.945 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.469 0.414 -6.600 1.00 0.00 H new ATOM 410 N ILE A 26 -1.375 1.505 -4.174 1.00 0.00 N ATOM 411 CA ILE A 26 -1.445 1.554 -2.714 1.00 0.00 C ATOM 412 C ILE A 26 -1.400 0.148 -2.103 1.00 0.00 C ATOM 413 O ILE A 26 -2.198 -0.714 -2.464 1.00 0.00 O ATOM 414 CB ILE A 26 -2.731 2.261 -2.250 1.00 0.00 C ATOM 415 CG1 ILE A 26 -3.090 3.408 -3.199 1.00 0.00 C ATOM 416 CG2 ILE A 26 -2.576 2.770 -0.831 1.00 0.00 C ATOM 417 CD1 ILE A 26 -4.331 4.171 -2.788 1.00 0.00 C ATOM 0 H ILE A 26 -2.270 1.330 -4.632 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.576 2.116 -2.372 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.545 1.537 -2.268 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.250 4.100 -3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.236 3.006 -4.202 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.495 3.267 -0.520 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.373 1.932 -0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.748 3.478 -0.787 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.523 4.968 -3.507 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.184 3.492 -2.762 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.181 4.603 -1.799 1.00 0.00 H new ATOM 429 N ILE A 27 -0.461 -0.081 -1.177 1.00 0.00 N ATOM 430 CA ILE A 27 -0.326 -1.387 -0.534 1.00 0.00 C ATOM 431 C ILE A 27 -1.069 -1.456 0.806 1.00 0.00 C ATOM 432 O ILE A 27 -1.077 -0.503 1.585 1.00 0.00 O ATOM 433 CB ILE A 27 1.166 -1.770 -0.348 1.00 0.00 C ATOM 434 CG1 ILE A 27 1.621 -2.672 -1.502 1.00 0.00 C ATOM 435 CG2 ILE A 27 1.411 -2.466 0.991 1.00 0.00 C ATOM 436 CD1 ILE A 27 3.039 -2.400 -1.962 1.00 0.00 C ATOM 0 H ILE A 27 0.211 0.618 -0.860 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.790 -2.113 -1.202 1.00 0.00 H new ATOM 0 HB ILE A 27 1.749 -0.849 -0.352 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.543 -3.714 -1.191 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.943 -2.539 -2.345 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.468 -2.718 1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.125 -1.800 1.805 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.815 -3.377 1.042 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.292 -3.075 -2.780 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.119 -1.368 -2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.728 -2.561 -1.133 1.00 0.00 H new ATOM 448 N ASP A 28 -1.681 -2.615 1.052 1.00 0.00 N ATOM 449 CA ASP A 28 -2.422 -2.862 2.282 1.00 0.00 C ATOM 450 C ASP A 28 -1.979 -4.182 2.913 1.00 0.00 C ATOM 451 O ASP A 28 -2.146 -5.249 2.324 1.00 0.00 O ATOM 452 CB ASP A 28 -3.924 -2.903 2.001 1.00 0.00 C ATOM 453 CG ASP A 28 -4.394 -1.728 1.166 1.00 0.00 C ATOM 454 OD1 ASP A 28 -3.813 -0.630 1.304 1.00 0.00 O ATOM 455 OD2 ASP A 28 -5.344 -1.905 0.374 1.00 0.00 O ATOM 0 H ASP A 28 -1.675 -3.404 0.405 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.214 -2.048 2.977 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.168 -3.831 1.485 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.466 -2.912 2.946 1.00 0.00 H new ATOM 460 N VAL A 29 -1.409 -4.097 4.111 1.00 0.00 N ATOM 461 CA VAL A 29 -0.936 -5.279 4.820 1.00 0.00 C ATOM 462 C VAL A 29 -2.064 -5.951 5.595 1.00 0.00 C ATOM 463 O VAL A 29 -2.186 -5.780 6.808 1.00 0.00 O ATOM 464 CB VAL A 29 0.203 -4.922 5.794 1.00 0.00 C ATOM 465 CG1 VAL A 29 0.775 -6.177 6.439 1.00 0.00 C ATOM 466 CG2 VAL A 29 1.287 -4.139 5.069 1.00 0.00 C ATOM 0 H VAL A 29 -1.264 -3.220 4.611 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.562 -5.972 4.067 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.202 -4.295 6.588 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.578 -5.901 7.123 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.011 -6.693 6.991 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.168 -6.837 5.666 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.087 -3.892 5.768 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.689 -4.743 4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.863 -3.220 4.664 1.00 0.00 H new ATOM 476 N ARG A 30 -2.884 -6.719 4.885 1.00 0.00 N ATOM 477 CA ARG A 30 -3.999 -7.422 5.505 1.00 0.00 C ATOM 478 C ARG A 30 -3.492 -8.420 6.556 1.00 0.00 C ATOM 479 O ARG A 30 -2.938 -8.014 7.577 1.00 0.00 O ATOM 480 CB ARG A 30 -4.836 -8.128 4.433 1.00 0.00 C ATOM 481 CG ARG A 30 -5.472 -7.176 3.437 1.00 0.00 C ATOM 482 CD ARG A 30 -6.909 -6.857 3.814 1.00 0.00 C ATOM 483 NE ARG A 30 -6.996 -6.171 5.101 1.00 0.00 N ATOM 484 CZ ARG A 30 -8.067 -6.208 5.892 1.00 0.00 C ATOM 485 NH1 ARG A 30 -9.150 -6.884 5.526 1.00 0.00 N ATOM 486 NH2 ARG A 30 -8.056 -5.563 7.051 1.00 0.00 N ATOM 0 H ARG A 30 -2.797 -6.870 3.880 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.634 -6.697 6.014 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.203 -8.834 3.895 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.620 -8.709 4.919 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.893 -6.254 3.392 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.445 -7.618 2.441 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.358 -6.234 3.040 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.487 -7.780 3.855 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.188 -5.631 5.412 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.165 -7.379 4.634 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.967 -6.908 6.137 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.228 -5.040 7.335 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.875 -5.590 7.658 1.00 0.00 H new ATOM 500 N ASP A 31 -3.680 -9.721 6.304 1.00 0.00 N ATOM 501 CA ASP A 31 -3.238 -10.766 7.229 1.00 0.00 C ATOM 502 C ASP A 31 -3.971 -12.069 6.936 1.00 0.00 C ATOM 503 O ASP A 31 -3.352 -13.109 6.707 1.00 0.00 O ATOM 504 CB ASP A 31 -3.482 -10.354 8.685 1.00 0.00 C ATOM 505 CG ASP A 31 -2.204 -9.947 9.391 1.00 0.00 C ATOM 506 OD1 ASP A 31 -1.234 -9.578 8.696 1.00 0.00 O ATOM 507 OD2 ASP A 31 -2.172 -9.999 10.638 1.00 0.00 O ATOM 0 H ASP A 31 -4.137 -10.074 5.463 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.167 -10.911 7.086 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.189 -9.525 8.712 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.943 -11.183 9.222 1.00 0.00 H new ATOM 512 N GLU A 32 -5.297 -11.997 6.942 1.00 0.00 N ATOM 513 CA GLU A 32 -6.132 -13.159 6.672 1.00 0.00 C ATOM 514 C GLU A 32 -7.257 -12.792 5.711 1.00 0.00 C ATOM 515 O GLU A 32 -8.345 -13.362 5.763 1.00 0.00 O ATOM 516 CB GLU A 32 -6.711 -13.713 7.976 1.00 0.00 C ATOM 517 CG GLU A 32 -5.668 -13.917 9.064 1.00 0.00 C ATOM 518 CD GLU A 32 -5.823 -15.244 9.780 1.00 0.00 C ATOM 519 OE1 GLU A 32 -6.752 -15.367 10.606 1.00 0.00 O ATOM 520 OE2 GLU A 32 -5.016 -16.159 9.516 1.00 0.00 O ATOM 0 H GLU A 32 -5.818 -11.141 7.132 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.515 -13.929 6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.478 -13.031 8.342 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.202 -14.664 7.771 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.673 -13.861 8.623 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.742 -13.107 9.789 1.00 0.00 H new ATOM 527 N GLU A 33 -6.979 -11.833 4.830 1.00 0.00 N ATOM 528 CA GLU A 33 -7.959 -11.380 3.848 1.00 0.00 C ATOM 529 C GLU A 33 -8.525 -12.556 3.056 1.00 0.00 C ATOM 530 O GLU A 33 -9.621 -12.473 2.503 1.00 0.00 O ATOM 531 CB GLU A 33 -7.326 -10.369 2.892 1.00 0.00 C ATOM 532 CG GLU A 33 -8.336 -9.658 2.007 1.00 0.00 C ATOM 533 CD GLU A 33 -7.912 -9.619 0.552 1.00 0.00 C ATOM 534 OE1 GLU A 33 -7.861 -10.694 -0.081 1.00 0.00 O ATOM 535 OE2 GLU A 33 -7.631 -8.513 0.047 1.00 0.00 O ATOM 0 H GLU A 33 -6.080 -11.354 4.777 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.776 -10.901 4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.777 -9.627 3.472 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.600 -10.882 2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.300 -10.160 2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.476 -8.639 2.368 1.00 0.00 H new ATOM 542 N ARG A 34 -7.773 -13.650 3.011 1.00 0.00 N ATOM 543 CA ARG A 34 -8.204 -14.841 2.293 1.00 0.00 C ATOM 544 C ARG A 34 -9.298 -15.563 3.072 1.00 0.00 C ATOM 545 O ARG A 34 -10.113 -16.284 2.495 1.00 0.00 O ATOM 546 CB ARG A 34 -7.018 -15.780 2.059 1.00 0.00 C ATOM 547 CG ARG A 34 -5.744 -15.066 1.633 1.00 0.00 C ATOM 548 CD ARG A 34 -5.964 -14.221 0.387 1.00 0.00 C ATOM 549 NE ARG A 34 -5.381 -14.838 -0.804 1.00 0.00 N ATOM 550 CZ ARG A 34 -4.073 -14.883 -1.052 1.00 0.00 C ATOM 551 NH1 ARG A 34 -3.209 -14.354 -0.193 1.00 0.00 N ATOM 552 NH2 ARG A 34 -3.628 -15.458 -2.160 1.00 0.00 N ATOM 0 H ARG A 34 -6.863 -13.736 3.463 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.605 -14.536 1.327 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.822 -16.338 2.975 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.288 -16.508 1.294 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.393 -14.431 2.446 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.962 -15.800 1.442 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.033 -14.074 0.233 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.525 -13.234 0.536 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.013 -15.259 -1.485 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.546 -13.911 0.661 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.208 -14.391 -0.388 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.287 -15.866 -2.823 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.626 -15.492 -2.350 1.00 0.00 H new ATOM 566 N ASN A 35 -9.311 -15.364 4.388 1.00 0.00 N ATOM 567 CA ASN A 35 -10.304 -15.997 5.243 1.00 0.00 C ATOM 568 C ASN A 35 -11.596 -15.187 5.272 1.00 0.00 C ATOM 569 O ASN A 35 -12.689 -15.733 5.125 1.00 0.00 O ATOM 570 CB ASN A 35 -9.758 -16.160 6.663 1.00 0.00 C ATOM 571 CG ASN A 35 -8.666 -17.209 6.747 1.00 0.00 C ATOM 572 OD1 ASN A 35 -7.578 -16.947 7.257 1.00 0.00 O ATOM 573 ND2 ASN A 35 -8.952 -18.403 6.243 1.00 0.00 N ATOM 0 H ASN A 35 -8.645 -14.770 4.882 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.524 -16.982 4.831 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.367 -15.204 7.011 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.573 -16.434 7.333 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.256 -19.148 6.269 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.868 -18.576 5.829 1.00 0.00 H new ATOM 580 N TYR A 36 -11.463 -13.878 5.467 1.00 0.00 N ATOM 581 CA TYR A 36 -12.619 -12.991 5.519 1.00 0.00 C ATOM 582 C TYR A 36 -13.124 -12.675 4.116 1.00 0.00 C ATOM 583 O TYR A 36 -14.329 -12.655 3.868 1.00 0.00 O ATOM 584 CB TYR A 36 -12.264 -11.699 6.256 1.00 0.00 C ATOM 585 CG TYR A 36 -11.823 -11.924 7.686 1.00 0.00 C ATOM 586 CD1 TYR A 36 -10.539 -12.368 7.975 1.00 0.00 C ATOM 587 CD2 TYR A 36 -12.694 -11.701 8.746 1.00 0.00 C ATOM 588 CE1 TYR A 36 -10.133 -12.581 9.278 1.00 0.00 C ATOM 589 CE2 TYR A 36 -12.295 -11.910 10.053 1.00 0.00 C ATOM 590 CZ TYR A 36 -11.014 -12.350 10.314 1.00 0.00 C ATOM 591 OH TYR A 36 -10.615 -12.562 11.613 1.00 0.00 O ATOM 0 H TYR A 36 -10.566 -13.409 5.592 1.00 0.00 H new ATOM 0 HA TYR A 36 -13.415 -13.500 6.063 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -11.468 -11.188 5.714 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -13.130 -11.037 6.251 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.846 -12.550 7.167 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -13.699 -11.359 8.545 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.131 -12.927 9.485 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -12.983 -11.730 10.866 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.354 -12.351 12.221 1.00 0.00 H new ATOM 601 N ASP A 37 -12.194 -12.436 3.199 1.00 0.00 N ATOM 602 CA ASP A 37 -12.541 -12.131 1.816 1.00 0.00 C ATOM 603 C ASP A 37 -13.267 -10.791 1.698 1.00 0.00 C ATOM 604 O ASP A 37 -13.964 -10.545 0.713 1.00 0.00 O ATOM 605 CB ASP A 37 -13.407 -13.247 1.224 1.00 0.00 C ATOM 606 CG ASP A 37 -12.622 -14.166 0.311 1.00 0.00 C ATOM 607 OD1 ASP A 37 -11.472 -14.511 0.658 1.00 0.00 O ATOM 608 OD2 ASP A 37 -13.157 -14.543 -0.754 1.00 0.00 O ATOM 0 H ASP A 37 -11.192 -12.448 3.389 1.00 0.00 H new ATOM 0 HA ASP A 37 -11.610 -12.060 1.254 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -13.845 -13.831 2.033 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.233 -12.805 0.667 1.00 0.00 H new ATOM 613 N GLY A 38 -13.096 -9.924 2.694 1.00 0.00 N ATOM 614 CA GLY A 38 -13.741 -8.620 2.656 1.00 0.00 C ATOM 615 C GLY A 38 -13.372 -7.840 1.406 1.00 0.00 C ATOM 616 O GLY A 38 -12.773 -8.394 0.484 1.00 0.00 O ATOM 0 H GLY A 38 -12.526 -10.099 3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -14.823 -8.749 2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.455 -8.048 3.538 1.00 0.00 H new ATOM 620 N HIS A 39 -13.715 -6.555 1.365 1.00 0.00 N ATOM 621 CA HIS A 39 -13.389 -5.737 0.202 1.00 0.00 C ATOM 622 C HIS A 39 -12.042 -5.074 0.359 1.00 0.00 C ATOM 623 O HIS A 39 -11.074 -5.466 -0.293 1.00 0.00 O ATOM 624 CB HIS A 39 -14.432 -4.647 -0.055 1.00 0.00 C ATOM 625 CG HIS A 39 -14.676 -4.390 -1.508 1.00 0.00 C ATOM 626 ND1 HIS A 39 -15.712 -3.599 -1.934 1.00 0.00 N ATOM 627 CD2 HIS A 39 -13.979 -4.823 -2.584 1.00 0.00 C ATOM 628 CE1 HIS A 39 -15.626 -3.565 -3.248 1.00 0.00 C ATOM 629 NE2 HIS A 39 -14.588 -4.293 -3.691 1.00 0.00 N ATOM 0 H HIS A 39 -14.210 -6.065 2.110 1.00 0.00 H new ATOM 0 HA HIS A 39 -13.374 -6.421 -0.647 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -15.371 -4.934 0.418 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -14.105 -3.722 0.420 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -16.407 -3.132 -1.352 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -13.109 -5.463 -2.572 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -16.304 -3.021 -3.888 1.00 0.00 H new ATOM 637 N ILE A 40 -11.996 -4.032 1.198 1.00 0.00 N ATOM 638 CA ILE A 40 -10.777 -3.268 1.401 1.00 0.00 C ATOM 639 C ILE A 40 -9.961 -3.318 0.118 1.00 0.00 C ATOM 640 O ILE A 40 -8.801 -3.730 0.105 1.00 0.00 O ATOM 641 CB ILE A 40 -9.925 -3.794 2.578 1.00 0.00 C ATOM 642 CG1 ILE A 40 -9.970 -5.324 2.642 1.00 0.00 C ATOM 643 CG2 ILE A 40 -10.393 -3.184 3.890 1.00 0.00 C ATOM 644 CD1 ILE A 40 -11.255 -5.883 3.217 1.00 0.00 C ATOM 0 H ILE A 40 -12.793 -3.705 1.744 1.00 0.00 H new ATOM 0 HA ILE A 40 -11.060 -2.246 1.653 1.00 0.00 H new ATOM 0 HB ILE A 40 -8.890 -3.494 2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -9.831 -5.723 1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -9.132 -5.676 3.244 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -9.782 -3.566 4.707 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -10.297 -2.099 3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -11.436 -3.449 4.063 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -11.206 -6.972 3.227 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -11.388 -5.516 4.235 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -12.097 -5.564 2.603 1.00 0.00 H new ATOM 656 N ALA A 41 -10.640 -2.996 -0.976 1.00 0.00 N ATOM 657 CA ALA A 41 -10.072 -3.099 -2.295 1.00 0.00 C ATOM 658 C ALA A 41 -9.452 -1.818 -2.837 1.00 0.00 C ATOM 659 O ALA A 41 -10.130 -0.841 -3.097 1.00 0.00 O ATOM 660 CB ALA A 41 -11.202 -3.535 -3.212 1.00 0.00 C ATOM 0 H ALA A 41 -11.602 -2.656 -0.963 1.00 0.00 H new ATOM 0 HA ALA A 41 -9.245 -3.807 -2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.827 -3.630 -4.231 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.592 -4.496 -2.878 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.999 -2.792 -3.186 1.00 0.00 H new ATOM 666 N GLY A 42 -8.146 -1.893 -3.090 1.00 0.00 N ATOM 667 CA GLY A 42 -7.412 -0.784 -3.671 1.00 0.00 C ATOM 668 C GLY A 42 -6.526 -1.240 -4.820 1.00 0.00 C ATOM 669 O GLY A 42 -7.018 -1.769 -5.814 1.00 0.00 O ATOM 0 H GLY A 42 -7.577 -2.718 -2.898 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.113 -0.030 -4.029 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.799 -0.311 -2.904 1.00 0.00 H new ATOM 673 N SER A 43 -5.215 -1.051 -4.690 1.00 0.00 N ATOM 674 CA SER A 43 -4.287 -1.464 -5.738 1.00 0.00 C ATOM 675 C SER A 43 -3.647 -2.811 -5.415 1.00 0.00 C ATOM 676 O SER A 43 -3.882 -3.801 -6.108 1.00 0.00 O ATOM 677 CB SER A 43 -3.200 -0.410 -5.933 1.00 0.00 C ATOM 678 OG SER A 43 -2.601 -0.524 -7.212 1.00 0.00 O ATOM 0 H SER A 43 -4.775 -0.619 -3.878 1.00 0.00 H new ATOM 0 HA SER A 43 -4.857 -1.568 -6.661 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.629 0.585 -5.817 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.439 -0.521 -5.161 1.00 0.00 H new ATOM 0 HG SER A 43 -2.864 0.240 -7.766 1.00 0.00 H new ATOM 684 N LEU A 44 -2.831 -2.843 -4.365 1.00 0.00 N ATOM 685 CA LEU A 44 -2.154 -4.069 -3.965 1.00 0.00 C ATOM 686 C LEU A 44 -2.491 -4.453 -2.528 1.00 0.00 C ATOM 687 O LEU A 44 -2.335 -3.655 -1.603 1.00 0.00 O ATOM 688 CB LEU A 44 -0.642 -3.912 -4.111 1.00 0.00 C ATOM 689 CG LEU A 44 -0.089 -4.212 -5.505 1.00 0.00 C ATOM 690 CD1 LEU A 44 -0.196 -5.699 -5.812 1.00 0.00 C ATOM 691 CD2 LEU A 44 -0.820 -3.394 -6.557 1.00 0.00 C ATOM 0 H LEU A 44 -2.624 -2.035 -3.778 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.504 -4.865 -4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.371 -2.891 -3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.153 -4.571 -3.394 1.00 0.00 H new ATOM 0 HG LEU A 44 0.964 -3.932 -5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.202 -5.895 -6.808 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.375 -6.265 -5.076 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.242 -6.004 -5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.413 -3.621 -7.542 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.881 -3.641 -6.537 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.691 -2.332 -6.347 1.00 0.00 H new ATOM 703 N HIS A 45 -2.944 -5.687 -2.356 1.00 0.00 N ATOM 704 CA HIS A 45 -3.298 -6.209 -1.041 1.00 0.00 C ATOM 705 C HIS A 45 -2.504 -7.477 -0.750 1.00 0.00 C ATOM 706 O HIS A 45 -2.449 -8.380 -1.585 1.00 0.00 O ATOM 707 CB HIS A 45 -4.794 -6.514 -0.982 1.00 0.00 C ATOM 708 CG HIS A 45 -5.229 -7.527 -1.994 1.00 0.00 C ATOM 709 ND1 HIS A 45 -5.738 -8.762 -1.652 1.00 0.00 N ATOM 710 CD2 HIS A 45 -5.225 -7.486 -3.348 1.00 0.00 C ATOM 711 CE1 HIS A 45 -6.030 -9.435 -2.752 1.00 0.00 C ATOM 712 NE2 HIS A 45 -5.729 -8.683 -3.792 1.00 0.00 N ATOM 0 H HIS A 45 -3.076 -6.352 -3.118 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.057 -5.456 -0.290 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.046 -6.875 0.015 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.353 -5.591 -1.138 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -5.869 -9.103 -0.700 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.888 -6.665 -3.963 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.445 -10.431 -2.792 1.00 0.00 H new ATOM 721 N TYR A 46 -1.886 -7.553 0.427 1.00 0.00 N ATOM 722 CA TYR A 46 -1.104 -8.733 0.779 1.00 0.00 C ATOM 723 C TYR A 46 -1.233 -9.061 2.269 1.00 0.00 C ATOM 724 O TYR A 46 -1.608 -8.209 3.072 1.00 0.00 O ATOM 725 CB TYR A 46 0.362 -8.527 0.364 1.00 0.00 C ATOM 726 CG TYR A 46 1.340 -8.399 1.512 1.00 0.00 C ATOM 727 CD1 TYR A 46 1.163 -7.439 2.500 1.00 0.00 C ATOM 728 CD2 TYR A 46 2.437 -9.241 1.605 1.00 0.00 C ATOM 729 CE1 TYR A 46 2.052 -7.324 3.548 1.00 0.00 C ATOM 730 CE2 TYR A 46 3.332 -9.132 2.649 1.00 0.00 C ATOM 731 CZ TYR A 46 3.136 -8.173 3.618 1.00 0.00 C ATOM 732 OH TYR A 46 4.025 -8.064 4.663 1.00 0.00 O ATOM 0 H TYR A 46 -1.911 -6.825 1.141 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.497 -9.592 0.235 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.668 -9.365 -0.262 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.427 -7.629 -0.251 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.315 -6.772 2.447 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.594 -9.995 0.848 1.00 0.00 H new ATOM 0 HE1 TYR A 46 1.900 -6.573 4.309 1.00 0.00 H new ATOM 0 HE2 TYR A 46 4.182 -9.795 2.706 1.00 0.00 H new ATOM 0 HH TYR A 46 3.827 -8.750 5.334 1.00 0.00 H new ATOM 742 N ALA A 47 -0.928 -10.308 2.624 1.00 0.00 N ATOM 743 CA ALA A 47 -1.019 -10.763 4.008 1.00 0.00 C ATOM 744 C ALA A 47 0.234 -11.475 4.457 1.00 0.00 C ATOM 745 O ALA A 47 1.233 -11.550 3.741 1.00 0.00 O ATOM 746 CB ALA A 47 -2.163 -11.749 4.174 1.00 0.00 C ATOM 0 H ALA A 47 -0.614 -11.023 1.968 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.174 -9.866 4.608 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.214 -12.076 5.213 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.101 -11.267 3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.996 -12.612 3.530 1.00 0.00 H new ATOM 752 N SER A 48 0.118 -12.072 5.633 1.00 0.00 N ATOM 753 CA SER A 48 1.168 -12.873 6.187 1.00 0.00 C ATOM 754 C SER A 48 1.046 -14.261 5.574 1.00 0.00 C ATOM 755 O SER A 48 0.593 -14.403 4.438 1.00 0.00 O ATOM 756 CB SER A 48 1.048 -12.928 7.713 1.00 0.00 C ATOM 757 OG SER A 48 2.324 -13.042 8.320 1.00 0.00 O ATOM 0 H SER A 48 -0.713 -12.007 6.221 1.00 0.00 H new ATOM 0 HA SER A 48 2.145 -12.447 5.960 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.549 -12.029 8.075 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.427 -13.776 8.002 1.00 0.00 H new ATOM 0 HG SER A 48 3.006 -13.164 7.627 1.00 0.00 H new ATOM 763 N GLY A 49 1.439 -15.272 6.315 1.00 0.00 N ATOM 764 CA GLY A 49 1.365 -16.644 5.827 1.00 0.00 C ATOM 765 C GLY A 49 2.220 -16.876 4.589 1.00 0.00 C ATOM 766 O GLY A 49 2.540 -18.015 4.248 1.00 0.00 O ATOM 0 H GLY A 49 1.814 -15.178 7.259 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.685 -17.324 6.617 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.328 -16.888 5.598 1.00 0.00 H new ATOM 770 N SER A 50 2.584 -15.788 3.921 1.00 0.00 N ATOM 771 CA SER A 50 3.400 -15.843 2.719 1.00 0.00 C ATOM 772 C SER A 50 3.900 -14.447 2.355 1.00 0.00 C ATOM 773 O SER A 50 4.219 -14.172 1.198 1.00 0.00 O ATOM 774 CB SER A 50 2.597 -16.434 1.562 1.00 0.00 C ATOM 775 OG SER A 50 2.025 -15.420 0.751 1.00 0.00 O ATOM 0 H SER A 50 2.320 -14.843 4.200 1.00 0.00 H new ATOM 0 HA SER A 50 4.261 -16.484 2.911 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.245 -17.065 0.954 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.808 -17.074 1.956 1.00 0.00 H new ATOM 0 HG SER A 50 2.738 -14.872 0.361 1.00 0.00 H new ATOM 781 N PHE A 51 3.980 -13.574 3.359 1.00 0.00 N ATOM 782 CA PHE A 51 4.453 -12.217 3.165 1.00 0.00 C ATOM 783 C PHE A 51 5.867 -12.233 2.603 1.00 0.00 C ATOM 784 O PHE A 51 6.350 -11.229 2.082 1.00 0.00 O ATOM 785 CB PHE A 51 4.415 -11.450 4.493 1.00 0.00 C ATOM 786 CG PHE A 51 5.263 -12.060 5.573 1.00 0.00 C ATOM 787 CD1 PHE A 51 4.799 -13.129 6.325 1.00 0.00 C ATOM 788 CD2 PHE A 51 6.525 -11.559 5.837 1.00 0.00 C ATOM 789 CE1 PHE A 51 5.581 -13.688 7.318 1.00 0.00 C ATOM 790 CE2 PHE A 51 7.313 -12.114 6.829 1.00 0.00 C ATOM 791 CZ PHE A 51 6.841 -13.179 7.570 1.00 0.00 C ATOM 0 H PHE A 51 3.719 -13.792 4.321 1.00 0.00 H new ATOM 0 HA PHE A 51 3.800 -11.713 2.453 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.746 -10.426 4.319 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.383 -11.397 4.841 1.00 0.00 H new ATOM 0 HD1 PHE A 51 3.815 -13.529 6.132 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.899 -10.725 5.262 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.208 -14.521 7.896 1.00 0.00 H new ATOM 0 HE2 PHE A 51 8.297 -11.714 7.024 1.00 0.00 H new ATOM 0 HZ PHE A 51 7.455 -13.613 8.345 1.00 0.00 H new ATOM 801 N ASP A 52 6.523 -13.387 2.705 1.00 0.00 N ATOM 802 CA ASP A 52 7.872 -13.538 2.198 1.00 0.00 C ATOM 803 C ASP A 52 7.861 -13.979 0.733 1.00 0.00 C ATOM 804 O ASP A 52 8.896 -14.364 0.187 1.00 0.00 O ATOM 805 CB ASP A 52 8.647 -14.551 3.044 1.00 0.00 C ATOM 806 CG ASP A 52 10.137 -14.269 3.064 1.00 0.00 C ATOM 807 OD1 ASP A 52 10.624 -13.584 2.139 1.00 0.00 O ATOM 808 OD2 ASP A 52 10.817 -14.733 4.003 1.00 0.00 O ATOM 0 H ASP A 52 6.137 -14.227 3.135 1.00 0.00 H new ATOM 0 HA ASP A 52 8.367 -12.569 2.261 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.264 -14.537 4.064 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.475 -15.554 2.653 1.00 0.00 H new ATOM 813 N ASP A 53 6.688 -13.925 0.102 1.00 0.00 N ATOM 814 CA ASP A 53 6.549 -14.322 -1.292 1.00 0.00 C ATOM 815 C ASP A 53 6.377 -13.101 -2.191 1.00 0.00 C ATOM 816 O ASP A 53 6.773 -13.116 -3.356 1.00 0.00 O ATOM 817 CB ASP A 53 5.356 -15.268 -1.457 1.00 0.00 C ATOM 818 CG ASP A 53 5.639 -16.389 -2.437 1.00 0.00 C ATOM 819 OD1 ASP A 53 6.330 -17.354 -2.048 1.00 0.00 O ATOM 820 OD2 ASP A 53 5.174 -16.300 -3.592 1.00 0.00 O ATOM 0 H ASP A 53 5.822 -13.609 0.538 1.00 0.00 H new ATOM 0 HA ASP A 53 7.459 -14.842 -1.590 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.096 -15.693 -0.488 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.490 -14.701 -1.798 1.00 0.00 H new ATOM 825 N LYS A 54 5.791 -12.042 -1.640 1.00 0.00 N ATOM 826 CA LYS A 54 5.577 -10.809 -2.391 1.00 0.00 C ATOM 827 C LYS A 54 6.905 -10.105 -2.663 1.00 0.00 C ATOM 828 O LYS A 54 6.992 -9.222 -3.516 1.00 0.00 O ATOM 829 CB LYS A 54 4.637 -9.879 -1.622 1.00 0.00 C ATOM 830 CG LYS A 54 3.161 -10.178 -1.839 1.00 0.00 C ATOM 831 CD LYS A 54 2.860 -11.665 -1.719 1.00 0.00 C ATOM 832 CE LYS A 54 3.025 -12.377 -3.053 1.00 0.00 C ATOM 833 NZ LYS A 54 1.900 -13.314 -3.324 1.00 0.00 N ATOM 0 H LYS A 54 5.456 -12.013 -0.677 1.00 0.00 H new ATOM 0 HA LYS A 54 5.120 -11.064 -3.347 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.860 -9.952 -0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.837 -8.850 -1.919 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.568 -9.627 -1.109 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.860 -9.825 -2.825 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.525 -12.114 -0.981 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.842 -11.803 -1.355 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.084 -11.640 -3.853 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.966 -12.928 -3.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.049 -13.779 -4.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.859 -14.033 -2.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.005 -12.785 -3.346 1.00 0.00 H new ATOM 847 N ILE A 55 7.939 -10.518 -1.926 1.00 0.00 N ATOM 848 CA ILE A 55 9.265 -9.935 -2.084 1.00 0.00 C ATOM 849 C ILE A 55 9.692 -9.985 -3.532 1.00 0.00 C ATOM 850 O ILE A 55 10.356 -9.091 -4.024 1.00 0.00 O ATOM 851 CB ILE A 55 10.358 -10.612 -1.217 1.00 0.00 C ATOM 852 CG1 ILE A 55 9.759 -11.414 -0.058 1.00 0.00 C ATOM 853 CG2 ILE A 55 11.309 -9.548 -0.679 1.00 0.00 C ATOM 854 CD1 ILE A 55 9.124 -10.542 1.001 1.00 0.00 C ATOM 0 H ILE A 55 7.880 -11.250 -1.219 1.00 0.00 H new ATOM 0 HA ILE A 55 9.173 -8.905 -1.739 1.00 0.00 H new ATOM 0 HB ILE A 55 10.901 -11.314 -1.850 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.011 -12.103 -0.449 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.541 -12.019 0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.078 -10.022 -0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.778 -9.024 -1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.752 -8.836 -0.071 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.718 -11.170 1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.875 -9.871 1.418 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.320 -9.956 0.556 1.00 0.00 H new ATOM 866 N SER A 56 9.284 -11.028 -4.212 1.00 0.00 N ATOM 867 CA SER A 56 9.626 -11.188 -5.615 1.00 0.00 C ATOM 868 C SER A 56 8.871 -10.198 -6.471 1.00 0.00 C ATOM 869 O SER A 56 9.295 -9.852 -7.562 1.00 0.00 O ATOM 870 CB SER A 56 9.353 -12.617 -6.085 1.00 0.00 C ATOM 871 OG SER A 56 10.296 -13.020 -7.063 1.00 0.00 O ATOM 0 H SER A 56 8.716 -11.781 -3.823 1.00 0.00 H new ATOM 0 HA SER A 56 10.693 -10.990 -5.722 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.393 -13.297 -5.234 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.346 -12.682 -6.497 1.00 0.00 H new ATOM 0 HG SER A 56 10.101 -13.938 -7.347 1.00 0.00 H new ATOM 877 N HIS A 57 7.753 -9.761 -5.956 1.00 0.00 N ATOM 878 CA HIS A 57 6.897 -8.803 -6.646 1.00 0.00 C ATOM 879 C HIS A 57 7.457 -7.380 -6.617 1.00 0.00 C ATOM 880 O HIS A 57 7.472 -6.689 -7.638 1.00 0.00 O ATOM 881 CB HIS A 57 5.497 -8.820 -6.035 1.00 0.00 C ATOM 882 CG HIS A 57 4.411 -8.510 -7.018 1.00 0.00 C ATOM 883 ND1 HIS A 57 4.651 -7.929 -8.245 1.00 0.00 N ATOM 884 CD2 HIS A 57 3.072 -8.704 -6.950 1.00 0.00 C ATOM 885 CE1 HIS A 57 3.507 -7.777 -8.889 1.00 0.00 C ATOM 886 NE2 HIS A 57 2.534 -8.240 -8.125 1.00 0.00 N ATOM 0 H HIS A 57 7.400 -10.053 -5.045 1.00 0.00 H new ATOM 0 HA HIS A 57 6.854 -9.110 -7.691 1.00 0.00 H new ATOM 0 HB2 HIS A 57 5.312 -9.802 -5.599 1.00 0.00 H new ATOM 0 HB3 HIS A 57 5.456 -8.097 -5.221 1.00 0.00 H new ATOM 0 HD1 HIS A 57 5.568 -7.659 -8.600 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.529 -9.142 -6.125 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.388 -7.347 -9.873 1.00 0.00 H new ATOM 895 N LEU A 58 7.911 -6.930 -5.447 1.00 0.00 N ATOM 896 CA LEU A 58 8.439 -5.574 -5.336 1.00 0.00 C ATOM 897 C LEU A 58 9.884 -5.561 -5.749 1.00 0.00 C ATOM 898 O LEU A 58 10.339 -4.688 -6.489 1.00 0.00 O ATOM 899 CB LEU A 58 8.297 -5.038 -3.911 1.00 0.00 C ATOM 900 CG LEU A 58 8.567 -3.540 -3.753 1.00 0.00 C ATOM 901 CD1 LEU A 58 10.063 -3.258 -3.792 1.00 0.00 C ATOM 902 CD2 LEU A 58 7.849 -2.748 -4.837 1.00 0.00 C ATOM 0 H LEU A 58 7.924 -7.471 -4.583 1.00 0.00 H new ATOM 0 HA LEU A 58 7.863 -4.926 -5.997 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.287 -5.249 -3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.982 -5.585 -3.263 1.00 0.00 H new ATOM 0 HG LEU A 58 8.182 -3.225 -2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.235 -2.188 -3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.555 -3.793 -2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.471 -3.591 -4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.054 -1.685 -4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.203 -3.069 -5.817 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.775 -2.922 -4.764 1.00 0.00 H new ATOM 914 N VAL A 59 10.592 -6.560 -5.272 1.00 0.00 N ATOM 915 CA VAL A 59 11.984 -6.721 -5.581 1.00 0.00 C ATOM 916 C VAL A 59 12.175 -6.848 -7.097 1.00 0.00 C ATOM 917 O VAL A 59 13.149 -6.340 -7.653 1.00 0.00 O ATOM 918 CB VAL A 59 12.545 -7.943 -4.842 1.00 0.00 C ATOM 919 CG1 VAL A 59 13.971 -8.192 -5.244 1.00 0.00 C ATOM 920 CG2 VAL A 59 12.423 -7.757 -3.325 1.00 0.00 C ATOM 0 H VAL A 59 10.213 -7.281 -4.659 1.00 0.00 H new ATOM 0 HA VAL A 59 12.534 -5.842 -5.246 1.00 0.00 H new ATOM 0 HB VAL A 59 11.958 -8.818 -5.122 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.353 -9.062 -4.710 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.020 -8.375 -6.318 1.00 0.00 H new ATOM 0 HG13 VAL A 59 14.576 -7.320 -4.996 1.00 0.00 H new ATOM 0 HG21 VAL A 59 12.826 -8.633 -2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 59 12.982 -6.872 -3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 59 11.374 -7.633 -3.057 1.00 0.00 H new ATOM 930 N GLN A 60 11.220 -7.510 -7.762 1.00 0.00 N ATOM 931 CA GLN A 60 11.267 -7.678 -9.218 1.00 0.00 C ATOM 932 C GLN A 60 10.949 -6.370 -9.920 1.00 0.00 C ATOM 933 O GLN A 60 11.399 -6.126 -11.038 1.00 0.00 O ATOM 934 CB GLN A 60 10.275 -8.741 -9.688 1.00 0.00 C ATOM 935 CG GLN A 60 10.855 -10.146 -9.722 1.00 0.00 C ATOM 936 CD GLN A 60 11.947 -10.300 -10.762 1.00 0.00 C ATOM 937 OE1 GLN A 60 13.082 -10.655 -10.441 1.00 0.00 O ATOM 938 NE2 GLN A 60 11.608 -10.037 -12.019 1.00 0.00 N ATOM 0 H GLN A 60 10.408 -7.937 -7.316 1.00 0.00 H new ATOM 0 HA GLN A 60 12.278 -7.996 -9.471 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.407 -8.732 -9.029 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.921 -8.479 -10.685 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.257 -10.393 -8.739 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.058 -10.860 -9.929 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.656 -9.746 -12.240 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.300 -10.126 -12.763 1.00 0.00 H new ATOM 947 N ASN A 61 10.163 -5.533 -9.257 1.00 0.00 N ATOM 948 CA ASN A 61 9.774 -4.251 -9.815 1.00 0.00 C ATOM 949 C ASN A 61 10.801 -3.185 -9.454 1.00 0.00 C ATOM 950 O ASN A 61 10.461 -2.039 -9.165 1.00 0.00 O ATOM 951 CB ASN A 61 8.386 -3.865 -9.309 1.00 0.00 C ATOM 952 CG ASN A 61 7.292 -4.735 -9.908 1.00 0.00 C ATOM 953 OD1 ASN A 61 7.585 -6.021 -10.123 1.00 0.00 O flip ATOM 954 ND2 ASN A 61 6.190 -4.257 -10.179 1.00 0.00 N flip ATOM 0 H ASN A 61 9.783 -5.722 -8.330 1.00 0.00 H new ATOM 0 HA ASN A 61 9.736 -4.330 -10.901 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.361 -3.950 -8.223 1.00 0.00 H new ATOM 0 HB3 ASN A 61 8.191 -2.820 -9.552 1.00 0.00 H new ATOM 0 HD21 ASN A 61 6.004 -3.270 -10.000 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.463 -4.848 -10.582 1.00 0.00 H new ATOM 961 N VAL A 62 12.066 -3.594 -9.474 1.00 0.00 N ATOM 962 CA VAL A 62 13.185 -2.714 -9.151 1.00 0.00 C ATOM 963 C VAL A 62 13.132 -1.389 -9.913 1.00 0.00 C ATOM 964 O VAL A 62 13.808 -0.431 -9.536 1.00 0.00 O ATOM 965 CB VAL A 62 14.534 -3.396 -9.455 1.00 0.00 C ATOM 966 CG1 VAL A 62 14.897 -4.382 -8.355 1.00 0.00 C ATOM 967 CG2 VAL A 62 14.490 -4.084 -10.812 1.00 0.00 C ATOM 0 H VAL A 62 12.345 -4.545 -9.715 1.00 0.00 H new ATOM 0 HA VAL A 62 13.099 -2.506 -8.084 1.00 0.00 H new ATOM 0 HB VAL A 62 15.309 -2.630 -9.488 1.00 0.00 H new ATOM 0 HG11 VAL A 62 15.852 -4.852 -8.589 1.00 0.00 H new ATOM 0 HG12 VAL A 62 14.975 -3.854 -7.405 1.00 0.00 H new ATOM 0 HG13 VAL A 62 14.124 -5.147 -8.282 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.450 -4.560 -11.010 1.00 0.00 H new ATOM 0 HG22 VAL A 62 13.704 -4.839 -10.812 1.00 0.00 H new ATOM 0 HG23 VAL A 62 14.284 -3.346 -11.587 1.00 0.00 H new ATOM 977 N LYS A 63 12.340 -1.325 -10.983 1.00 0.00 N ATOM 978 CA LYS A 63 12.236 -0.098 -11.769 1.00 0.00 C ATOM 979 C LYS A 63 11.362 -0.295 -12.997 1.00 0.00 C ATOM 980 O LYS A 63 11.855 -0.514 -14.103 1.00 0.00 O ATOM 981 CB LYS A 63 13.618 0.398 -12.195 1.00 0.00 C ATOM 982 CG LYS A 63 14.636 -0.713 -12.409 1.00 0.00 C ATOM 983 CD LYS A 63 15.754 -0.271 -13.341 1.00 0.00 C ATOM 984 CE LYS A 63 17.106 -0.778 -12.869 1.00 0.00 C ATOM 985 NZ LYS A 63 17.175 -2.266 -12.874 1.00 0.00 N ATOM 0 H LYS A 63 11.768 -2.099 -11.322 1.00 0.00 H new ATOM 0 HA LYS A 63 11.770 0.653 -11.131 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.519 0.969 -13.118 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.997 1.083 -11.436 1.00 0.00 H new ATOM 0 HG2 LYS A 63 15.057 -1.012 -11.449 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.138 -1.589 -12.825 1.00 0.00 H new ATOM 0 HD2 LYS A 63 15.557 -0.640 -14.348 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.772 0.817 -13.398 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.889 -0.376 -13.512 1.00 0.00 H new ATOM 0 HE3 LYS A 63 17.300 -0.409 -11.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.134 -2.570 -12.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.491 -2.648 -12.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 16.948 -2.621 -13.825 1.00 0.00 H new ATOM 999 N ASP A 64 10.060 -0.205 -12.788 1.00 0.00 N ATOM 1000 CA ASP A 64 9.091 -0.359 -13.868 1.00 0.00 C ATOM 1001 C ASP A 64 7.921 0.605 -13.692 1.00 0.00 C ATOM 1002 O ASP A 64 6.758 0.207 -13.752 1.00 0.00 O ATOM 1003 CB ASP A 64 8.572 -1.793 -13.913 1.00 0.00 C ATOM 1004 CG ASP A 64 9.566 -2.752 -14.540 1.00 0.00 C ATOM 1005 OD1 ASP A 64 10.427 -3.279 -13.805 1.00 0.00 O ATOM 1006 OD2 ASP A 64 9.480 -2.980 -15.765 1.00 0.00 O ATOM 0 H ASP A 64 9.644 -0.025 -11.874 1.00 0.00 H new ATOM 0 HA ASP A 64 9.594 -0.129 -14.807 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.342 -2.124 -12.900 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.640 -1.821 -14.477 1.00 0.00 H new ATOM 1011 N LYS A 65 8.239 1.874 -13.466 1.00 0.00 N ATOM 1012 CA LYS A 65 7.216 2.900 -13.268 1.00 0.00 C ATOM 1013 C LYS A 65 6.267 2.494 -12.163 1.00 0.00 C ATOM 1014 O LYS A 65 5.224 1.890 -12.414 1.00 0.00 O ATOM 1015 CB LYS A 65 6.421 3.124 -14.542 1.00 0.00 C ATOM 1016 CG LYS A 65 6.800 4.389 -15.290 1.00 0.00 C ATOM 1017 CD LYS A 65 8.020 4.177 -16.171 1.00 0.00 C ATOM 1018 CE LYS A 65 8.164 5.287 -17.199 1.00 0.00 C ATOM 1019 NZ LYS A 65 7.146 5.175 -18.280 1.00 0.00 N ATOM 0 H LYS A 65 9.197 2.220 -13.415 1.00 0.00 H new ATOM 0 HA LYS A 65 7.724 3.825 -12.994 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.562 2.268 -15.202 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.360 3.164 -14.294 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.960 4.714 -15.904 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.001 5.188 -14.576 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.915 4.136 -15.551 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.940 3.216 -16.680 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.066 6.254 -16.706 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.162 5.252 -17.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.423 5.777 -19.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.082 4.186 -18.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.221 5.484 -17.919 1.00 0.00 H new ATOM 1033 N ASP A 66 6.634 2.816 -10.942 1.00 0.00 N ATOM 1034 CA ASP A 66 5.801 2.465 -9.805 1.00 0.00 C ATOM 1035 C ASP A 66 6.020 3.363 -8.593 1.00 0.00 C ATOM 1036 O ASP A 66 7.096 3.385 -8.009 1.00 0.00 O ATOM 1037 CB ASP A 66 6.057 1.010 -9.410 1.00 0.00 C ATOM 1038 CG ASP A 66 5.192 0.040 -10.191 1.00 0.00 C ATOM 1039 OD1 ASP A 66 3.955 0.084 -10.027 1.00 0.00 O ATOM 1040 OD2 ASP A 66 5.752 -0.763 -10.966 1.00 0.00 O ATOM 0 H ASP A 66 7.493 3.314 -10.709 1.00 0.00 H new ATOM 0 HA ASP A 66 4.767 2.606 -10.121 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.107 0.771 -9.575 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.866 0.886 -8.344 1.00 0.00 H new ATOM 1045 N THR A 67 4.951 4.027 -8.174 1.00 0.00 N ATOM 1046 CA THR A 67 4.968 4.846 -6.970 1.00 0.00 C ATOM 1047 C THR A 67 3.931 4.227 -6.053 1.00 0.00 C ATOM 1048 O THR A 67 2.826 3.925 -6.504 1.00 0.00 O ATOM 1049 CB THR A 67 4.640 6.315 -7.264 1.00 0.00 C ATOM 1050 OG1 THR A 67 3.239 6.519 -7.328 1.00 0.00 O ATOM 1051 CG2 THR A 67 5.240 6.821 -8.559 1.00 0.00 C ATOM 0 H THR A 67 4.052 4.013 -8.656 1.00 0.00 H new ATOM 0 HA THR A 67 5.960 4.860 -6.519 1.00 0.00 H new ATOM 0 HB THR A 67 5.081 6.874 -6.439 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.942 6.459 -8.260 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.967 7.867 -8.702 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.326 6.732 -8.516 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.860 6.229 -9.392 1.00 0.00 H new ATOM 1059 N LEU A 68 4.278 3.952 -4.806 1.00 0.00 N ATOM 1060 CA LEU A 68 3.319 3.269 -3.943 1.00 0.00 C ATOM 1061 C LEU A 68 3.140 3.892 -2.567 1.00 0.00 C ATOM 1062 O LEU A 68 4.100 4.294 -1.916 1.00 0.00 O ATOM 1063 CB LEU A 68 3.722 1.790 -3.819 1.00 0.00 C ATOM 1064 CG LEU A 68 4.329 1.366 -2.478 1.00 0.00 C ATOM 1065 CD1 LEU A 68 3.234 0.968 -1.502 1.00 0.00 C ATOM 1066 CD2 LEU A 68 5.308 0.219 -2.680 1.00 0.00 C ATOM 0 H LEU A 68 5.176 4.178 -4.379 1.00 0.00 H new ATOM 0 HA LEU A 68 2.345 3.371 -4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.840 1.177 -4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.440 1.563 -4.607 1.00 0.00 H new ATOM 0 HG LEU A 68 4.872 2.213 -2.058 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.682 0.669 -0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.568 1.815 -1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.666 0.134 -1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.731 -0.072 -1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.786 -0.632 -3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.109 0.537 -3.348 1.00 0.00 H new ATOM 1078 N VAL A 69 1.888 3.892 -2.112 1.00 0.00 N ATOM 1079 CA VAL A 69 1.544 4.375 -0.786 1.00 0.00 C ATOM 1080 C VAL A 69 1.018 3.190 0.005 1.00 0.00 C ATOM 1081 O VAL A 69 0.066 2.541 -0.416 1.00 0.00 O ATOM 1082 CB VAL A 69 0.475 5.488 -0.820 1.00 0.00 C ATOM 1083 CG1 VAL A 69 1.131 6.857 -0.881 1.00 0.00 C ATOM 1084 CG2 VAL A 69 -0.479 5.291 -1.990 1.00 0.00 C ATOM 0 H VAL A 69 1.091 3.558 -2.653 1.00 0.00 H new ATOM 0 HA VAL A 69 2.432 4.809 -0.327 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.107 5.429 0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.361 7.629 -0.904 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.760 6.998 -0.002 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.743 6.928 -1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.222 6.088 -1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.081 5.316 -2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.980 4.328 -1.893 1.00 0.00 H new ATOM 1094 N PHE A 70 1.653 2.869 1.120 1.00 0.00 N ATOM 1095 CA PHE A 70 1.230 1.709 1.893 1.00 0.00 C ATOM 1096 C PHE A 70 1.055 2.013 3.367 1.00 0.00 C ATOM 1097 O PHE A 70 1.685 2.920 3.911 1.00 0.00 O ATOM 1098 CB PHE A 70 2.259 0.591 1.738 1.00 0.00 C ATOM 1099 CG PHE A 70 3.617 0.954 2.267 1.00 0.00 C ATOM 1100 CD1 PHE A 70 4.378 1.935 1.653 1.00 0.00 C ATOM 1101 CD2 PHE A 70 4.129 0.315 3.381 1.00 0.00 C ATOM 1102 CE1 PHE A 70 5.623 2.271 2.142 1.00 0.00 C ATOM 1103 CE2 PHE A 70 5.377 0.646 3.876 1.00 0.00 C ATOM 1104 CZ PHE A 70 6.125 1.625 3.255 1.00 0.00 C ATOM 0 H PHE A 70 2.446 3.381 1.506 1.00 0.00 H new ATOM 0 HA PHE A 70 0.258 1.406 1.503 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.900 -0.298 2.257 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.346 0.330 0.683 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.992 2.443 0.781 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.547 -0.452 3.871 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.205 3.039 1.655 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.765 0.139 4.747 1.00 0.00 H new ATOM 0 HZ PHE A 70 7.101 1.886 3.638 1.00 0.00 H new ATOM 1114 N HIS A 71 0.213 1.208 4.010 1.00 0.00 N ATOM 1115 CA HIS A 71 -0.038 1.343 5.449 1.00 0.00 C ATOM 1116 C HIS A 71 -1.166 0.410 5.896 1.00 0.00 C ATOM 1117 O HIS A 71 -0.940 -0.466 6.730 1.00 0.00 O ATOM 1118 CB HIS A 71 -0.273 2.827 5.841 1.00 0.00 C ATOM 1119 CG HIS A 71 -1.659 3.219 6.273 1.00 0.00 C ATOM 1120 ND1 HIS A 71 -2.216 4.432 5.928 1.00 0.00 N ATOM 1121 CD2 HIS A 71 -2.582 2.597 7.046 1.00 0.00 C ATOM 1122 CE1 HIS A 71 -3.413 4.537 6.464 1.00 0.00 C ATOM 1123 NE2 HIS A 71 -3.662 3.438 7.145 1.00 0.00 N ATOM 0 H HIS A 71 -0.308 0.455 3.561 1.00 0.00 H new ATOM 0 HA HIS A 71 0.853 1.027 5.991 1.00 0.00 H new ATOM 0 HB2 HIS A 71 0.414 3.074 6.650 1.00 0.00 H new ATOM 0 HB3 HIS A 71 0.002 3.448 4.988 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -1.768 5.140 5.346 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.486 1.622 7.499 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -4.079 5.382 6.363 1.00 0.00 H new ATOM 1132 N SER A 72 -2.365 0.590 5.323 1.00 0.00 N ATOM 1133 CA SER A 72 -3.544 -0.245 5.631 1.00 0.00 C ATOM 1134 C SER A 72 -4.741 0.605 6.073 1.00 0.00 C ATOM 1135 O SER A 72 -5.429 1.188 5.234 1.00 0.00 O ATOM 1136 CB SER A 72 -3.238 -1.319 6.686 1.00 0.00 C ATOM 1137 OG SER A 72 -4.401 -2.066 7.003 1.00 0.00 O ATOM 0 H SER A 72 -2.549 1.318 4.632 1.00 0.00 H new ATOM 0 HA SER A 72 -3.806 -0.754 4.703 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.462 -1.988 6.314 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.847 -0.847 7.588 1.00 0.00 H new ATOM 0 HG SER A 72 -4.181 -2.744 7.675 1.00 0.00 H new ATOM 1143 N ALA A 73 -5.004 0.666 7.381 1.00 0.00 N ATOM 1144 CA ALA A 73 -6.132 1.436 7.894 1.00 0.00 C ATOM 1145 C ALA A 73 -5.810 2.096 9.236 1.00 0.00 C ATOM 1146 O ALA A 73 -6.712 2.526 9.954 1.00 0.00 O ATOM 1147 CB ALA A 73 -7.358 0.545 8.026 1.00 0.00 C ATOM 0 H ALA A 73 -4.453 0.193 8.098 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.340 2.232 7.179 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.194 1.130 8.410 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.619 0.138 7.049 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.141 -0.272 8.714 1.00 0.00 H new ATOM 1153 N LEU A 74 -4.523 2.187 9.566 1.00 0.00 N ATOM 1154 CA LEU A 74 -4.101 2.808 10.811 1.00 0.00 C ATOM 1155 C LEU A 74 -3.254 4.045 10.530 1.00 0.00 C ATOM 1156 O LEU A 74 -3.562 5.140 10.997 1.00 0.00 O ATOM 1157 CB LEU A 74 -3.313 1.813 11.666 1.00 0.00 C ATOM 1158 CG LEU A 74 -4.129 1.096 12.742 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -4.780 2.105 13.677 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -5.181 0.203 12.103 1.00 0.00 C ATOM 0 H LEU A 74 -3.759 1.838 8.987 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.991 3.112 11.361 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.869 1.065 11.009 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.491 2.342 12.148 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.456 0.470 13.328 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.357 1.578 14.437 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.008 2.705 14.159 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.442 2.756 13.106 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.753 -0.300 12.882 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.852 0.809 11.494 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.693 -0.541 11.474 1.00 0.00 H new ATOM 1172 N SER A 75 -2.179 3.863 9.766 1.00 0.00 N ATOM 1173 CA SER A 75 -1.286 4.967 9.430 1.00 0.00 C ATOM 1174 C SER A 75 -0.699 5.603 10.692 1.00 0.00 C ATOM 1175 O SER A 75 -0.102 6.680 10.634 1.00 0.00 O ATOM 1176 CB SER A 75 -2.036 6.017 8.599 1.00 0.00 C ATOM 1177 OG SER A 75 -1.860 7.325 9.119 1.00 0.00 O ATOM 0 H SER A 75 -1.907 2.964 9.369 1.00 0.00 H new ATOM 0 HA SER A 75 -0.460 4.572 8.839 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.682 5.985 7.568 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.098 5.774 8.579 1.00 0.00 H new ATOM 0 HG SER A 75 -0.905 7.495 9.262 1.00 0.00 H new ATOM 1183 N GLN A 76 -0.868 4.936 11.831 1.00 0.00 N ATOM 1184 CA GLN A 76 -0.352 5.451 13.096 1.00 0.00 C ATOM 1185 C GLN A 76 0.214 4.335 13.973 1.00 0.00 C ATOM 1186 O GLN A 76 0.519 4.555 15.145 1.00 0.00 O ATOM 1187 CB GLN A 76 -1.456 6.196 13.854 1.00 0.00 C ATOM 1188 CG GLN A 76 -2.581 5.294 14.333 1.00 0.00 C ATOM 1189 CD GLN A 76 -3.943 5.956 14.240 1.00 0.00 C ATOM 1190 OE1 GLN A 76 -4.294 6.799 15.065 1.00 0.00 O ATOM 1191 NE2 GLN A 76 -4.718 5.576 13.231 1.00 0.00 N ATOM 0 H GLN A 76 -1.355 4.043 11.904 1.00 0.00 H new ATOM 0 HA GLN A 76 0.460 6.140 12.863 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.017 6.702 14.714 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.872 6.969 13.207 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -2.585 4.379 13.740 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.393 5.003 15.367 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.387 4.873 12.570 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.645 5.987 13.117 1.00 0.00 H new ATOM 1200 N VAL A 77 0.359 3.140 13.406 1.00 0.00 N ATOM 1201 CA VAL A 77 0.892 2.004 14.151 1.00 0.00 C ATOM 1202 C VAL A 77 1.310 0.877 13.215 1.00 0.00 C ATOM 1203 O VAL A 77 2.357 0.258 13.403 1.00 0.00 O ATOM 1204 CB VAL A 77 -0.129 1.457 15.168 1.00 0.00 C ATOM 1205 CG1 VAL A 77 -0.081 2.259 16.460 1.00 0.00 C ATOM 1206 CG2 VAL A 77 -1.531 1.463 14.580 1.00 0.00 C ATOM 0 H VAL A 77 0.116 2.934 12.437 1.00 0.00 H new ATOM 0 HA VAL A 77 1.765 2.371 14.690 1.00 0.00 H new ATOM 0 HB VAL A 77 0.137 0.425 15.398 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.809 1.857 17.165 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.917 2.193 16.892 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.317 3.302 16.250 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.235 1.073 15.315 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.810 2.483 14.315 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.554 0.837 13.688 1.00 0.00 H new ATOM 1216 N ARG A 78 0.483 0.610 12.206 1.00 0.00 N ATOM 1217 CA ARG A 78 0.772 -0.448 11.244 1.00 0.00 C ATOM 1218 C ARG A 78 1.826 -0.005 10.240 1.00 0.00 C ATOM 1219 O ARG A 78 2.541 -0.837 9.686 1.00 0.00 O ATOM 1220 CB ARG A 78 -0.502 -0.877 10.514 1.00 0.00 C ATOM 1221 CG ARG A 78 -0.281 -2.005 9.519 1.00 0.00 C ATOM 1222 CD ARG A 78 -1.473 -2.948 9.466 1.00 0.00 C ATOM 1223 NE ARG A 78 -1.114 -4.306 9.872 1.00 0.00 N ATOM 1224 CZ ARG A 78 -1.946 -5.343 9.812 1.00 0.00 C ATOM 1225 NH1 ARG A 78 -3.186 -5.183 9.364 1.00 0.00 N ATOM 1226 NH2 ARG A 78 -1.540 -6.544 10.201 1.00 0.00 N ATOM 0 H ARG A 78 -0.389 1.110 12.035 1.00 0.00 H new ATOM 0 HA ARG A 78 1.164 -1.301 11.798 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.244 -1.191 11.248 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.918 -0.017 9.989 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.103 -1.587 8.528 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.613 -2.564 9.795 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.263 -2.572 10.116 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.876 -2.967 8.453 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.170 -4.468 10.222 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.505 -4.262 9.064 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.819 -5.981 9.320 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.589 -6.674 10.547 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.179 -7.338 10.155 1.00 0.00 H new ATOM 1240 N GLY A 79 1.929 1.304 10.014 1.00 0.00 N ATOM 1241 CA GLY A 79 2.919 1.817 9.081 1.00 0.00 C ATOM 1242 C GLY A 79 4.258 1.113 9.227 1.00 0.00 C ATOM 1243 O GLY A 79 4.781 0.563 8.259 1.00 0.00 O ATOM 0 H GLY A 79 1.348 2.015 10.458 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.554 1.694 8.061 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.052 2.886 9.245 1.00 0.00 H new ATOM 1247 N PRO A 80 4.831 1.096 10.446 1.00 0.00 N ATOM 1248 CA PRO A 80 6.107 0.428 10.702 1.00 0.00 C ATOM 1249 C PRO A 80 6.014 -1.071 10.440 1.00 0.00 C ATOM 1250 O PRO A 80 6.996 -1.698 10.044 1.00 0.00 O ATOM 1251 CB PRO A 80 6.381 0.701 12.185 1.00 0.00 C ATOM 1252 CG PRO A 80 5.055 1.048 12.768 1.00 0.00 C ATOM 1253 CD PRO A 80 4.277 1.708 11.667 1.00 0.00 C ATOM 0 HA PRO A 80 6.900 0.794 10.050 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.810 -0.174 12.674 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.092 1.517 12.311 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.542 0.156 13.128 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.167 1.717 13.621 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.208 1.520 11.762 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.412 2.790 11.672 1.00 0.00 H new ATOM 1261 N THR A 81 4.825 -1.641 10.649 1.00 0.00 N ATOM 1262 CA THR A 81 4.617 -3.064 10.413 1.00 0.00 C ATOM 1263 C THR A 81 4.820 -3.380 8.936 1.00 0.00 C ATOM 1264 O THR A 81 5.543 -4.309 8.577 1.00 0.00 O ATOM 1265 CB THR A 81 3.211 -3.479 10.851 1.00 0.00 C ATOM 1266 OG1 THR A 81 2.825 -2.778 12.020 1.00 0.00 O ATOM 1267 CG2 THR A 81 3.085 -4.958 11.141 1.00 0.00 C ATOM 0 H THR A 81 4.000 -1.140 10.979 1.00 0.00 H new ATOM 0 HA THR A 81 5.343 -3.626 11.001 1.00 0.00 H new ATOM 0 HB THR A 81 2.562 -3.235 10.010 1.00 0.00 H new ATOM 0 HG1 THR A 81 1.998 -3.165 12.375 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.063 -5.183 11.446 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.330 -5.527 10.244 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.771 -5.231 11.942 1.00 0.00 H new ATOM 1275 N CYS A 82 4.188 -2.575 8.085 1.00 0.00 N ATOM 1276 CA CYS A 82 4.311 -2.741 6.645 1.00 0.00 C ATOM 1277 C CYS A 82 5.770 -2.579 6.254 1.00 0.00 C ATOM 1278 O CYS A 82 6.324 -3.387 5.514 1.00 0.00 O ATOM 1279 CB CYS A 82 3.445 -1.720 5.903 1.00 0.00 C ATOM 1280 SG CYS A 82 1.817 -1.438 6.642 1.00 0.00 S ATOM 0 H CYS A 82 3.586 -1.802 8.371 1.00 0.00 H new ATOM 0 HA CYS A 82 3.963 -3.736 6.367 1.00 0.00 H new ATOM 0 HB2 CYS A 82 3.980 -0.771 5.861 1.00 0.00 H new ATOM 0 HB3 CYS A 82 3.310 -2.056 4.875 1.00 0.00 H new ATOM 0 HG CYS A 82 1.962 -1.013 7.862 1.00 0.00 H new ATOM 1286 N ALA A 83 6.401 -1.543 6.795 1.00 0.00 N ATOM 1287 CA ALA A 83 7.810 -1.312 6.534 1.00 0.00 C ATOM 1288 C ALA A 83 8.608 -2.505 7.036 1.00 0.00 C ATOM 1289 O ALA A 83 9.653 -2.844 6.487 1.00 0.00 O ATOM 1290 CB ALA A 83 8.279 -0.025 7.191 1.00 0.00 C ATOM 0 H ALA A 83 5.962 -0.858 7.410 1.00 0.00 H new ATOM 0 HA ALA A 83 7.966 -1.202 5.461 1.00 0.00 H new ATOM 0 HB1 ALA A 83 9.338 0.126 6.981 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.707 0.815 6.796 1.00 0.00 H new ATOM 0 HB3 ALA A 83 8.129 -0.091 8.269 1.00 0.00 H new ATOM 1296 N ARG A 84 8.080 -3.156 8.073 1.00 0.00 N ATOM 1297 CA ARG A 84 8.712 -4.335 8.638 1.00 0.00 C ATOM 1298 C ARG A 84 8.781 -5.425 7.578 1.00 0.00 C ATOM 1299 O ARG A 84 9.741 -6.192 7.516 1.00 0.00 O ATOM 1300 CB ARG A 84 7.934 -4.831 9.857 1.00 0.00 C ATOM 1301 CG ARG A 84 8.812 -5.468 10.923 1.00 0.00 C ATOM 1302 CD ARG A 84 8.012 -5.816 12.168 1.00 0.00 C ATOM 1303 NE ARG A 84 7.028 -6.865 11.912 1.00 0.00 N ATOM 1304 CZ ARG A 84 6.445 -7.584 12.868 1.00 0.00 C ATOM 1305 NH1 ARG A 84 6.748 -7.373 14.143 1.00 0.00 N ATOM 1306 NH2 ARG A 84 5.559 -8.517 12.550 1.00 0.00 N ATOM 0 H ARG A 84 7.214 -2.881 8.536 1.00 0.00 H new ATOM 0 HA ARG A 84 9.721 -4.078 8.961 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.393 -3.994 10.297 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.189 -5.557 9.531 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.275 -6.370 10.523 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.619 -4.785 11.187 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.691 -6.141 12.956 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.504 -4.924 12.533 1.00 0.00 H new ATOM 0 HE ARG A 84 6.773 -7.058 10.943 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.430 -6.657 14.393 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.299 -7.927 14.872 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.324 -8.684 11.572 1.00 0.00 H new ATOM 0 HH22 ARG A 84 5.113 -9.068 13.283 1.00 0.00 H new ATOM 1320 N ARG A 85 7.755 -5.476 6.726 1.00 0.00 N ATOM 1321 CA ARG A 85 7.727 -6.462 5.656 1.00 0.00 C ATOM 1322 C ARG A 85 8.699 -6.053 4.558 1.00 0.00 C ATOM 1323 O ARG A 85 9.444 -6.884 4.047 1.00 0.00 O ATOM 1324 CB ARG A 85 6.303 -6.664 5.107 1.00 0.00 C ATOM 1325 CG ARG A 85 5.808 -5.567 4.170 1.00 0.00 C ATOM 1326 CD ARG A 85 5.215 -6.140 2.890 1.00 0.00 C ATOM 1327 NE ARG A 85 5.698 -5.439 1.702 1.00 0.00 N ATOM 1328 CZ ARG A 85 5.413 -4.168 1.423 1.00 0.00 C ATOM 1329 NH1 ARG A 85 4.642 -3.459 2.238 1.00 0.00 N ATOM 1330 NH2 ARG A 85 5.898 -3.606 0.324 1.00 0.00 N ATOM 0 H ARG A 85 6.947 -4.855 6.758 1.00 0.00 H new ATOM 0 HA ARG A 85 8.042 -7.424 6.060 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.266 -7.616 4.578 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.614 -6.740 5.948 1.00 0.00 H new ATOM 0 HG2 ARG A 85 5.057 -4.965 4.681 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.635 -4.901 3.921 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.468 -7.198 2.815 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.128 -6.074 2.933 1.00 0.00 H new ATOM 0 HE ARG A 85 6.288 -5.953 1.048 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.264 -3.887 3.083 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.427 -2.486 2.019 1.00 0.00 H new ATOM 0 HH21 ARG A 85 6.489 -4.147 -0.307 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.680 -2.633 0.110 1.00 0.00 H new ATOM 1344 N LEU A 86 8.730 -4.758 4.234 1.00 0.00 N ATOM 1345 CA LEU A 86 9.666 -4.270 3.231 1.00 0.00 C ATOM 1346 C LEU A 86 11.078 -4.511 3.741 1.00 0.00 C ATOM 1347 O LEU A 86 12.010 -4.720 2.966 1.00 0.00 O ATOM 1348 CB LEU A 86 9.438 -2.784 2.950 1.00 0.00 C ATOM 1349 CG LEU A 86 9.986 -2.283 1.613 1.00 0.00 C ATOM 1350 CD1 LEU A 86 9.019 -1.296 0.975 1.00 0.00 C ATOM 1351 CD2 LEU A 86 11.354 -1.643 1.804 1.00 0.00 C ATOM 0 H LEU A 86 8.128 -4.044 4.645 1.00 0.00 H new ATOM 0 HA LEU A 86 9.513 -4.804 2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.367 -2.584 2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.895 -2.205 3.752 1.00 0.00 H new ATOM 0 HG LEU A 86 10.096 -3.137 0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.426 -0.951 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.060 -1.785 0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.877 -0.444 1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.729 -1.292 0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.269 -0.800 2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.045 -2.378 2.217 1.00 0.00 H new ATOM 1363 N VAL A 87 11.211 -4.545 5.066 1.00 0.00 N ATOM 1364 CA VAL A 87 12.484 -4.834 5.685 1.00 0.00 C ATOM 1365 C VAL A 87 12.851 -6.263 5.325 1.00 0.00 C ATOM 1366 O VAL A 87 14.012 -6.575 5.075 1.00 0.00 O ATOM 1367 CB VAL A 87 12.450 -4.663 7.218 1.00 0.00 C ATOM 1368 CG1 VAL A 87 13.771 -5.093 7.841 1.00 0.00 C ATOM 1369 CG2 VAL A 87 12.130 -3.220 7.587 1.00 0.00 C ATOM 0 H VAL A 87 10.449 -4.375 5.722 1.00 0.00 H new ATOM 0 HA VAL A 87 13.227 -4.126 5.317 1.00 0.00 H new ATOM 0 HB VAL A 87 11.663 -5.305 7.614 1.00 0.00 H new ATOM 0 HG11 VAL A 87 13.723 -4.963 8.922 1.00 0.00 H new ATOM 0 HG12 VAL A 87 13.958 -6.141 7.609 1.00 0.00 H new ATOM 0 HG13 VAL A 87 14.579 -4.482 7.438 1.00 0.00 H new ATOM 0 HG21 VAL A 87 12.110 -3.118 8.672 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.894 -2.561 7.174 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.157 -2.947 7.179 1.00 0.00 H new ATOM 1379 N ASN A 88 11.835 -7.126 5.259 1.00 0.00 N ATOM 1380 CA ASN A 88 12.064 -8.508 4.877 1.00 0.00 C ATOM 1381 C ASN A 88 12.482 -8.567 3.400 1.00 0.00 C ATOM 1382 O ASN A 88 13.091 -9.542 2.959 1.00 0.00 O ATOM 1383 CB ASN A 88 10.827 -9.385 5.187 1.00 0.00 C ATOM 1384 CG ASN A 88 9.879 -9.594 4.015 1.00 0.00 C ATOM 1385 OD1 ASN A 88 10.026 -8.983 2.963 1.00 0.00 O ATOM 1386 ND2 ASN A 88 8.887 -10.466 4.203 1.00 0.00 N ATOM 0 H ASN A 88 10.863 -6.892 5.463 1.00 0.00 H new ATOM 0 HA ASN A 88 12.880 -8.921 5.470 1.00 0.00 H new ATOM 0 HB2 ASN A 88 11.169 -10.359 5.537 1.00 0.00 H new ATOM 0 HB3 ASN A 88 10.273 -8.928 6.007 1.00 0.00 H new ATOM 0 HD21 ASN A 88 8.216 -10.644 3.456 1.00 0.00 H new ATOM 0 HD22 ASN A 88 8.799 -10.954 5.094 1.00 0.00 H new ATOM 1393 N TYR A 89 12.191 -7.489 2.647 1.00 0.00 N ATOM 1394 CA TYR A 89 12.589 -7.414 1.235 1.00 0.00 C ATOM 1395 C TYR A 89 14.047 -7.057 1.140 1.00 0.00 C ATOM 1396 O TYR A 89 14.862 -7.857 0.686 1.00 0.00 O ATOM 1397 CB TYR A 89 11.794 -6.364 0.450 1.00 0.00 C ATOM 1398 CG TYR A 89 10.399 -6.771 0.097 1.00 0.00 C ATOM 1399 CD1 TYR A 89 9.534 -7.134 1.089 1.00 0.00 C ATOM 1400 CD2 TYR A 89 9.956 -6.807 -1.220 1.00 0.00 C ATOM 1401 CE1 TYR A 89 8.245 -7.523 0.801 1.00 0.00 C ATOM 1402 CE2 TYR A 89 8.663 -7.196 -1.522 1.00 0.00 C ATOM 1403 CZ TYR A 89 7.811 -7.554 -0.504 1.00 0.00 C ATOM 1404 OH TYR A 89 6.521 -7.940 -0.792 1.00 0.00 O ATOM 0 H TYR A 89 11.689 -6.670 2.990 1.00 0.00 H new ATOM 0 HA TYR A 89 12.387 -8.393 0.801 1.00 0.00 H new ATOM 0 HB2 TYR A 89 11.753 -5.446 1.037 1.00 0.00 H new ATOM 0 HB3 TYR A 89 12.333 -6.131 -0.468 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.866 -7.116 2.116 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.629 -6.528 -2.017 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.575 -7.804 1.600 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.326 -7.218 -2.548 1.00 0.00 H new ATOM 0 HH TYR A 89 6.055 -7.208 -1.248 1.00 0.00 H new ATOM 1414 N LEU A 90 14.385 -5.857 1.590 1.00 0.00 N ATOM 1415 CA LEU A 90 15.769 -5.432 1.565 1.00 0.00 C ATOM 1416 C LEU A 90 16.599 -6.482 2.294 1.00 0.00 C ATOM 1417 O LEU A 90 17.776 -6.679 2.003 1.00 0.00 O ATOM 1418 CB LEU A 90 15.931 -4.020 2.173 1.00 0.00 C ATOM 1419 CG LEU A 90 16.674 -3.908 3.515 1.00 0.00 C ATOM 1420 CD1 LEU A 90 16.000 -4.754 4.579 1.00 0.00 C ATOM 1421 CD2 LEU A 90 18.139 -4.293 3.359 1.00 0.00 C ATOM 0 H LEU A 90 13.730 -5.174 1.970 1.00 0.00 H new ATOM 0 HA LEU A 90 16.123 -5.352 0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 90 16.453 -3.398 1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 90 14.937 -3.593 2.302 1.00 0.00 H new ATOM 0 HG LEU A 90 16.633 -2.868 3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 90 16.544 -4.658 5.519 1.00 0.00 H new ATOM 0 HD12 LEU A 90 14.974 -4.414 4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 90 15.998 -5.798 4.266 1.00 0.00 H new ATOM 0 HD21 LEU A 90 18.643 -4.206 4.322 1.00 0.00 H new ATOM 0 HD22 LEU A 90 18.209 -5.321 3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 90 18.615 -3.628 2.639 1.00 0.00 H new ATOM 1433 N ASP A 91 15.947 -7.179 3.226 1.00 0.00 N ATOM 1434 CA ASP A 91 16.604 -8.239 3.973 1.00 0.00 C ATOM 1435 C ASP A 91 16.886 -9.423 3.052 1.00 0.00 C ATOM 1436 O ASP A 91 17.848 -10.166 3.253 1.00 0.00 O ATOM 1437 CB ASP A 91 15.733 -8.684 5.152 1.00 0.00 C ATOM 1438 CG ASP A 91 16.335 -9.848 5.914 1.00 0.00 C ATOM 1439 OD1 ASP A 91 17.571 -10.017 5.859 1.00 0.00 O ATOM 1440 OD2 ASP A 91 15.570 -10.591 6.565 1.00 0.00 O ATOM 0 H ASP A 91 14.970 -7.026 3.477 1.00 0.00 H new ATOM 0 HA ASP A 91 17.547 -7.859 4.365 1.00 0.00 H new ATOM 0 HB2 ASP A 91 15.591 -7.844 5.832 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.747 -8.966 4.784 1.00 0.00 H new ATOM 1445 N GLU A 92 16.028 -9.597 2.045 1.00 0.00 N ATOM 1446 CA GLU A 92 16.170 -10.694 1.098 1.00 0.00 C ATOM 1447 C GLU A 92 17.173 -10.380 -0.016 1.00 0.00 C ATOM 1448 O GLU A 92 18.083 -11.168 -0.273 1.00 0.00 O ATOM 1449 CB GLU A 92 14.810 -11.029 0.486 1.00 0.00 C ATOM 1450 CG GLU A 92 14.792 -12.344 -0.276 1.00 0.00 C ATOM 1451 CD GLU A 92 13.684 -13.269 0.185 1.00 0.00 C ATOM 1452 OE1 GLU A 92 13.766 -13.772 1.326 1.00 0.00 O ATOM 1453 OE2 GLU A 92 12.733 -13.491 -0.594 1.00 0.00 O ATOM 0 H GLU A 92 15.228 -8.989 1.868 1.00 0.00 H new ATOM 0 HA GLU A 92 16.555 -11.551 1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.064 -11.069 1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.516 -10.224 -0.188 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.672 -12.141 -1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 92 15.753 -12.844 -0.153 1.00 0.00 H new ATOM 1460 N LYS A 93 16.995 -9.245 -0.697 1.00 0.00 N ATOM 1461 CA LYS A 93 17.887 -8.879 -1.799 1.00 0.00 C ATOM 1462 C LYS A 93 18.473 -7.473 -1.650 1.00 0.00 C ATOM 1463 O LYS A 93 19.229 -7.022 -2.511 1.00 0.00 O ATOM 1464 CB LYS A 93 17.138 -8.982 -3.130 1.00 0.00 C ATOM 1465 CG LYS A 93 17.980 -9.545 -4.265 1.00 0.00 C ATOM 1466 CD LYS A 93 17.876 -8.688 -5.517 1.00 0.00 C ATOM 1467 CE LYS A 93 17.845 -9.541 -6.775 1.00 0.00 C ATOM 1468 NZ LYS A 93 18.047 -8.724 -8.004 1.00 0.00 N ATOM 0 H LYS A 93 16.252 -8.572 -0.508 1.00 0.00 H new ATOM 0 HA LYS A 93 18.721 -9.580 -1.776 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.259 -9.613 -2.994 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.779 -7.992 -3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 93 19.022 -9.606 -3.950 1.00 0.00 H new ATOM 0 HG3 LYS A 93 17.655 -10.561 -4.491 1.00 0.00 H new ATOM 0 HD2 LYS A 93 16.974 -8.078 -5.468 1.00 0.00 H new ATOM 0 HD3 LYS A 93 18.723 -8.003 -5.562 1.00 0.00 H new ATOM 0 HE2 LYS A 93 18.620 -10.305 -6.715 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.889 -10.061 -6.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 18.019 -9.342 -8.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 17.293 -8.011 -8.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 18.970 -8.248 -7.956 1.00 0.00 H new ATOM 1482 N LYS A 94 18.132 -6.780 -0.569 1.00 0.00 N ATOM 1483 CA LYS A 94 18.644 -5.429 -0.344 1.00 0.00 C ATOM 1484 C LYS A 94 18.228 -4.491 -1.476 1.00 0.00 C ATOM 1485 O LYS A 94 17.539 -4.899 -2.411 1.00 0.00 O ATOM 1486 CB LYS A 94 20.172 -5.450 -0.232 1.00 0.00 C ATOM 1487 CG LYS A 94 20.688 -5.940 1.112 1.00 0.00 C ATOM 1488 CD LYS A 94 21.239 -4.795 1.948 1.00 0.00 C ATOM 1489 CE LYS A 94 22.015 -5.307 3.150 1.00 0.00 C ATOM 1490 NZ LYS A 94 23.061 -4.342 3.590 1.00 0.00 N ATOM 0 H LYS A 94 17.509 -7.126 0.161 1.00 0.00 H new ATOM 0 HA LYS A 94 18.218 -5.061 0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 94 20.575 -6.088 -1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 94 20.553 -4.444 -0.411 1.00 0.00 H new ATOM 0 HG2 LYS A 94 19.882 -6.433 1.655 1.00 0.00 H new ATOM 0 HG3 LYS A 94 21.468 -6.685 0.954 1.00 0.00 H new ATOM 0 HD2 LYS A 94 21.889 -4.173 1.332 1.00 0.00 H new ATOM 0 HD3 LYS A 94 20.418 -4.162 2.286 1.00 0.00 H new ATOM 0 HE2 LYS A 94 21.326 -5.495 3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 94 22.482 -6.260 2.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 23.567 -4.729 4.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 23.734 -4.181 2.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 22.613 -3.441 3.852 1.00 0.00 H new ATOM 1504 N GLU A 95 18.659 -3.234 -1.388 1.00 0.00 N ATOM 1505 CA GLU A 95 18.340 -2.238 -2.410 1.00 0.00 C ATOM 1506 C GLU A 95 16.831 -2.117 -2.605 1.00 0.00 C ATOM 1507 O GLU A 95 16.338 -2.063 -3.732 1.00 0.00 O ATOM 1508 CB GLU A 95 19.013 -2.614 -3.730 1.00 0.00 C ATOM 1509 CG GLU A 95 20.131 -1.667 -4.137 1.00 0.00 C ATOM 1510 CD GLU A 95 21.137 -1.434 -3.026 1.00 0.00 C ATOM 1511 OE1 GLU A 95 21.142 -2.218 -2.053 1.00 0.00 O ATOM 1512 OE2 GLU A 95 21.920 -0.466 -3.128 1.00 0.00 O ATOM 0 H GLU A 95 19.230 -2.881 -0.620 1.00 0.00 H new ATOM 0 HA GLU A 95 18.717 -1.271 -2.077 1.00 0.00 H new ATOM 0 HB2 GLU A 95 19.416 -3.624 -3.648 1.00 0.00 H new ATOM 0 HB3 GLU A 95 18.261 -2.634 -4.518 1.00 0.00 H new ATOM 0 HG2 GLU A 95 20.646 -2.073 -5.008 1.00 0.00 H new ATOM 0 HG3 GLU A 95 19.701 -0.712 -4.438 1.00 0.00 H new ATOM 1519 N ASP A 96 16.107 -2.085 -1.498 1.00 0.00 N ATOM 1520 CA ASP A 96 14.653 -1.982 -1.537 1.00 0.00 C ATOM 1521 C ASP A 96 14.192 -0.582 -1.933 1.00 0.00 C ATOM 1522 O ASP A 96 14.198 0.342 -1.121 1.00 0.00 O ATOM 1523 CB ASP A 96 14.058 -2.363 -0.182 1.00 0.00 C ATOM 1524 CG ASP A 96 13.271 -3.652 -0.254 1.00 0.00 C ATOM 1525 OD1 ASP A 96 13.866 -4.687 -0.618 1.00 0.00 O ATOM 1526 OD2 ASP A 96 12.060 -3.624 0.043 1.00 0.00 O ATOM 0 H ASP A 96 16.501 -2.129 -0.558 1.00 0.00 H new ATOM 0 HA ASP A 96 14.297 -2.677 -2.298 1.00 0.00 H new ATOM 0 HB2 ASP A 96 14.859 -2.467 0.550 1.00 0.00 H new ATOM 0 HB3 ASP A 96 13.409 -1.560 0.168 1.00 0.00 H new ATOM 1531 N THR A 97 13.778 -0.446 -3.188 1.00 0.00 N ATOM 1532 CA THR A 97 13.290 0.825 -3.714 1.00 0.00 C ATOM 1533 C THR A 97 12.959 0.692 -5.194 1.00 0.00 C ATOM 1534 O THR A 97 13.191 1.609 -5.982 1.00 0.00 O ATOM 1535 CB THR A 97 14.317 1.940 -3.510 1.00 0.00 C ATOM 1536 OG1 THR A 97 15.611 1.405 -3.278 1.00 0.00 O ATOM 1537 CG2 THR A 97 13.974 2.858 -2.356 1.00 0.00 C ATOM 0 H THR A 97 13.771 -1.208 -3.866 1.00 0.00 H new ATOM 0 HA THR A 97 12.386 1.088 -3.165 1.00 0.00 H new ATOM 0 HB THR A 97 14.301 2.521 -4.432 1.00 0.00 H new ATOM 0 HG1 THR A 97 16.250 2.137 -3.152 1.00 0.00 H new ATOM 0 HG21 THR A 97 14.740 3.627 -2.263 1.00 0.00 H new ATOM 0 HG22 THR A 97 13.008 3.328 -2.540 1.00 0.00 H new ATOM 0 HG23 THR A 97 13.926 2.280 -1.433 1.00 0.00 H new ATOM 1545 N GLY A 98 12.413 -0.457 -5.563 1.00 0.00 N ATOM 1546 CA GLY A 98 12.056 -0.699 -6.944 1.00 0.00 C ATOM 1547 C GLY A 98 11.027 0.277 -7.464 1.00 0.00 C ATOM 1548 O GLY A 98 10.850 0.423 -8.673 1.00 0.00 O ATOM 0 H GLY A 98 12.210 -1.229 -4.927 1.00 0.00 H new ATOM 0 HA2 GLY A 98 12.952 -0.638 -7.562 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.669 -1.713 -7.042 1.00 0.00 H new ATOM 1552 N ILE A 99 10.339 0.937 -6.547 1.00 0.00 N ATOM 1553 CA ILE A 99 9.308 1.897 -6.918 1.00 0.00 C ATOM 1554 C ILE A 99 9.885 3.292 -7.097 1.00 0.00 C ATOM 1555 O ILE A 99 10.751 3.723 -6.334 1.00 0.00 O ATOM 1556 CB ILE A 99 8.147 1.949 -5.896 1.00 0.00 C ATOM 1557 CG1 ILE A 99 8.417 2.960 -4.782 1.00 0.00 C ATOM 1558 CG2 ILE A 99 7.890 0.583 -5.293 1.00 0.00 C ATOM 1559 CD1 ILE A 99 7.362 2.939 -3.702 1.00 0.00 C ATOM 0 H ILE A 99 10.474 0.827 -5.542 1.00 0.00 H new ATOM 0 HA ILE A 99 8.906 1.548 -7.869 1.00 0.00 H new ATOM 0 HB ILE A 99 7.260 2.270 -6.442 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.390 2.751 -4.337 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.471 3.960 -5.211 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.069 0.649 -4.579 1.00 0.00 H new ATOM 0 HG22 ILE A 99 7.627 -0.120 -6.083 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.788 0.236 -4.782 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.608 3.678 -2.939 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.391 3.176 -4.137 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.325 1.948 -3.249 1.00 0.00 H new ATOM 1571 N LYS A 100 9.387 3.997 -8.102 1.00 0.00 N ATOM 1572 CA LYS A 100 9.833 5.353 -8.380 1.00 0.00 C ATOM 1573 C LYS A 100 9.864 6.178 -7.100 1.00 0.00 C ATOM 1574 O LYS A 100 10.833 6.888 -6.835 1.00 0.00 O ATOM 1575 CB LYS A 100 8.916 6.015 -9.409 1.00 0.00 C ATOM 1576 CG LYS A 100 9.658 6.860 -10.431 1.00 0.00 C ATOM 1577 CD LYS A 100 10.527 6.000 -11.336 1.00 0.00 C ATOM 1578 CE LYS A 100 12.007 6.234 -11.076 1.00 0.00 C ATOM 1579 NZ LYS A 100 12.862 5.249 -11.795 1.00 0.00 N ATOM 0 H LYS A 100 8.671 3.650 -8.740 1.00 0.00 H new ATOM 0 HA LYS A 100 10.842 5.305 -8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.351 5.242 -9.930 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.192 6.642 -8.888 1.00 0.00 H new ATOM 0 HG2 LYS A 100 8.941 7.417 -11.034 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.279 7.593 -9.917 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.291 4.948 -11.176 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.300 6.223 -12.379 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.275 7.243 -11.389 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.202 6.170 -10.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 13.863 5.444 -11.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 12.625 4.287 -11.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 12.696 5.327 -12.819 1.00 0.00 H new ATOM 1593 N ASN A 101 8.802 6.076 -6.297 1.00 0.00 N ATOM 1594 CA ASN A 101 8.745 6.817 -5.046 1.00 0.00 C ATOM 1595 C ASN A 101 7.855 6.140 -3.997 1.00 0.00 C ATOM 1596 O ASN A 101 6.665 5.912 -4.216 1.00 0.00 O ATOM 1597 CB ASN A 101 8.241 8.238 -5.313 1.00 0.00 C ATOM 1598 CG ASN A 101 9.285 9.295 -4.999 1.00 0.00 C ATOM 1599 OD1 ASN A 101 8.971 10.351 -4.451 1.00 0.00 O ATOM 1600 ND2 ASN A 101 10.535 9.017 -5.350 1.00 0.00 N ATOM 0 H ASN A 101 7.985 5.496 -6.490 1.00 0.00 H new ATOM 0 HA ASN A 101 9.756 6.843 -4.640 1.00 0.00 H new ATOM 0 HB2 ASN A 101 7.945 8.324 -6.358 1.00 0.00 H new ATOM 0 HB3 ASN A 101 7.350 8.423 -4.713 1.00 0.00 H new ATOM 0 HD21 ASN A 101 11.278 9.691 -5.167 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.752 8.129 -5.802 1.00 0.00 H new ATOM 1607 N ILE A 102 8.462 5.865 -2.840 1.00 0.00 N ATOM 1608 CA ILE A 102 7.782 5.253 -1.703 1.00 0.00 C ATOM 1609 C ILE A 102 7.055 6.309 -0.873 1.00 0.00 C ATOM 1610 O ILE A 102 7.612 7.359 -0.553 1.00 0.00 O ATOM 1611 CB ILE A 102 8.785 4.517 -0.792 1.00 0.00 C ATOM 1612 CG1 ILE A 102 9.783 3.699 -1.633 1.00 0.00 C ATOM 1613 CG2 ILE A 102 8.048 3.644 0.213 1.00 0.00 C ATOM 1614 CD1 ILE A 102 9.803 2.212 -1.324 1.00 0.00 C ATOM 0 H ILE A 102 9.448 6.064 -2.668 1.00 0.00 H new ATOM 0 HA ILE A 102 7.061 4.540 -2.103 1.00 0.00 H new ATOM 0 HB ILE A 102 9.358 5.256 -0.231 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.545 3.834 -2.688 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.784 4.102 -1.478 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.770 3.131 0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.400 4.267 0.830 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.445 2.907 -0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 102 10.534 1.717 -1.963 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.074 2.061 -0.279 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.815 1.789 -1.508 1.00 0.00 H new ATOM 1626 N MET A 103 5.802 6.021 -0.537 1.00 0.00 N ATOM 1627 CA MET A 103 4.984 6.937 0.249 1.00 0.00 C ATOM 1628 C MET A 103 4.104 6.177 1.240 1.00 0.00 C ATOM 1629 O MET A 103 3.996 4.953 1.170 1.00 0.00 O ATOM 1630 CB MET A 103 4.111 7.785 -0.679 1.00 0.00 C ATOM 1631 CG MET A 103 4.811 9.024 -1.211 1.00 0.00 C ATOM 1632 SD MET A 103 5.435 8.809 -2.887 1.00 0.00 S ATOM 1633 CE MET A 103 6.776 9.995 -2.896 1.00 0.00 C ATOM 0 H MET A 103 5.329 5.156 -0.798 1.00 0.00 H new ATOM 0 HA MET A 103 5.651 7.588 0.815 1.00 0.00 H new ATOM 0 HB2 MET A 103 3.788 7.172 -1.520 1.00 0.00 H new ATOM 0 HB3 MET A 103 3.213 8.088 -0.142 1.00 0.00 H new ATOM 0 HG2 MET A 103 4.117 9.864 -1.192 1.00 0.00 H new ATOM 0 HG3 MET A 103 5.639 9.280 -0.550 1.00 0.00 H new ATOM 0 HE1 MET A 103 6.868 10.433 -3.890 1.00 0.00 H new ATOM 0 HE2 MET A 103 6.571 10.782 -2.170 1.00 0.00 H new ATOM 0 HE3 MET A 103 7.707 9.493 -2.633 1.00 0.00 H new ATOM 1643 N ILE A 104 3.457 6.908 2.150 1.00 0.00 N ATOM 1644 CA ILE A 104 2.567 6.285 3.127 1.00 0.00 C ATOM 1645 C ILE A 104 1.118 6.721 2.864 1.00 0.00 C ATOM 1646 O ILE A 104 0.870 7.804 2.333 1.00 0.00 O ATOM 1647 CB ILE A 104 3.004 6.554 4.607 1.00 0.00 C ATOM 1648 CG1 ILE A 104 1.819 6.943 5.503 1.00 0.00 C ATOM 1649 CG2 ILE A 104 4.110 7.605 4.697 1.00 0.00 C ATOM 1650 CD1 ILE A 104 1.024 5.755 5.999 1.00 0.00 C ATOM 0 H ILE A 104 3.532 7.922 2.230 1.00 0.00 H new ATOM 0 HA ILE A 104 2.635 5.205 2.999 1.00 0.00 H new ATOM 0 HB ILE A 104 3.405 5.611 4.978 1.00 0.00 H new ATOM 0 HG12 ILE A 104 2.190 7.505 6.360 1.00 0.00 H new ATOM 0 HG13 ILE A 104 1.157 7.608 4.948 1.00 0.00 H new ATOM 0 HG21 ILE A 104 4.381 7.759 5.741 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.983 7.263 4.142 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.755 8.544 4.272 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.203 6.103 6.626 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.623 5.205 5.148 1.00 0.00 H new ATOM 0 HD13 ILE A 104 1.673 5.101 6.581 1.00 0.00 H new ATOM 1662 N LEU A 105 0.174 5.841 3.196 1.00 0.00 N ATOM 1663 CA LEU A 105 -1.250 6.089 2.958 1.00 0.00 C ATOM 1664 C LEU A 105 -1.846 7.124 3.914 1.00 0.00 C ATOM 1665 O LEU A 105 -1.571 7.121 5.114 1.00 0.00 O ATOM 1666 CB LEU A 105 -2.030 4.777 3.080 1.00 0.00 C ATOM 1667 CG LEU A 105 -2.561 4.206 1.768 1.00 0.00 C ATOM 1668 CD1 LEU A 105 -3.333 2.920 2.028 1.00 0.00 C ATOM 1669 CD2 LEU A 105 -3.438 5.226 1.058 1.00 0.00 C ATOM 0 H LEU A 105 0.371 4.942 3.635 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.335 6.495 1.950 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.384 4.032 3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.872 4.936 3.754 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.715 3.976 1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.707 2.523 1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.674 2.188 2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.172 3.127 2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.807 4.801 0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.282 5.488 1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.854 6.121 0.843 1.00 0.00 H new ATOM 1681 N GLU A 106 -2.682 7.998 3.355 1.00 0.00 N ATOM 1682 CA GLU A 106 -3.354 9.043 4.133 1.00 0.00 C ATOM 1683 C GLU A 106 -4.178 8.433 5.266 1.00 0.00 C ATOM 1684 O GLU A 106 -3.739 8.389 6.415 1.00 0.00 O ATOM 1685 CB GLU A 106 -4.280 9.918 3.255 1.00 0.00 C ATOM 1686 CG GLU A 106 -4.517 9.403 1.838 1.00 0.00 C ATOM 1687 CD GLU A 106 -5.974 9.484 1.427 1.00 0.00 C ATOM 1688 OE1 GLU A 106 -6.775 8.659 1.917 1.00 0.00 O ATOM 1689 OE2 GLU A 106 -6.315 10.369 0.617 1.00 0.00 O ATOM 0 H GLU A 106 -2.912 8.004 2.361 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.568 9.675 4.546 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.244 10.012 3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.854 10.919 3.193 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -3.913 9.981 1.139 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -4.181 8.368 1.770 1.00 0.00 H new ATOM 1696 N ARG A 107 -5.384 7.982 4.929 1.00 0.00 N ATOM 1697 CA ARG A 107 -6.292 7.391 5.906 1.00 0.00 C ATOM 1698 C ARG A 107 -6.386 5.877 5.751 1.00 0.00 C ATOM 1699 O ARG A 107 -7.049 5.213 6.543 1.00 0.00 O ATOM 1700 CB ARG A 107 -7.687 8.005 5.767 1.00 0.00 C ATOM 1701 CG ARG A 107 -7.675 9.515 5.587 1.00 0.00 C ATOM 1702 CD ARG A 107 -8.999 10.019 5.032 1.00 0.00 C ATOM 1703 NE ARG A 107 -10.056 10.004 6.040 1.00 0.00 N ATOM 1704 CZ ARG A 107 -11.232 10.609 5.891 1.00 0.00 C ATOM 1705 NH1 ARG A 107 -11.507 11.276 4.778 1.00 0.00 N ATOM 1706 NH2 ARG A 107 -12.137 10.546 6.859 1.00 0.00 N ATOM 0 H ARG A 107 -5.756 8.016 3.980 1.00 0.00 H new ATOM 0 HA ARG A 107 -5.889 7.605 6.896 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -8.191 7.550 4.914 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -8.273 7.758 6.652 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -7.474 9.995 6.545 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.866 9.796 4.913 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -8.871 11.034 4.656 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -9.296 9.400 4.186 1.00 0.00 H new ATOM 0 HE ARG A 107 -9.883 9.500 6.910 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -10.815 11.327 4.030 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -12.410 11.738 4.670 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -11.931 10.034 7.717 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -13.038 11.010 6.745 1.00 0.00 H new ATOM 1720 N GLY A 108 -5.734 5.328 4.727 1.00 0.00 N ATOM 1721 CA GLY A 108 -5.793 3.891 4.512 1.00 0.00 C ATOM 1722 C GLY A 108 -7.219 3.384 4.564 1.00 0.00 C ATOM 1723 O GLY A 108 -7.540 2.471 5.325 1.00 0.00 O ATOM 0 H GLY A 108 -5.173 5.845 4.050 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -5.354 3.648 3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -5.197 3.383 5.270 1.00 0.00 H new ATOM 1727 N PHE A 109 -8.078 4.009 3.765 1.00 0.00 N ATOM 1728 CA PHE A 109 -9.496 3.664 3.711 1.00 0.00 C ATOM 1729 C PHE A 109 -10.133 3.701 5.106 1.00 0.00 C ATOM 1730 O PHE A 109 -11.214 3.158 5.320 1.00 0.00 O ATOM 1731 CB PHE A 109 -9.727 2.300 3.035 1.00 0.00 C ATOM 1732 CG PHE A 109 -8.564 1.349 3.112 1.00 0.00 C ATOM 1733 CD1 PHE A 109 -7.478 1.496 2.264 1.00 0.00 C ATOM 1734 CD2 PHE A 109 -8.559 0.308 4.028 1.00 0.00 C ATOM 1735 CE1 PHE A 109 -6.407 0.625 2.329 1.00 0.00 C ATOM 1736 CE2 PHE A 109 -7.492 -0.567 4.096 1.00 0.00 C ATOM 1737 CZ PHE A 109 -6.415 -0.409 3.246 1.00 0.00 C ATOM 0 H PHE A 109 -7.812 4.768 3.137 1.00 0.00 H new ATOM 0 HA PHE A 109 -9.986 4.420 3.098 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -10.595 1.827 3.493 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -9.971 2.468 1.986 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -7.468 2.301 1.544 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -9.398 0.180 4.696 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -5.565 0.752 1.664 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -7.500 -1.374 4.814 1.00 0.00 H new ATOM 0 HZ PHE A 109 -5.580 -1.092 3.298 1.00 0.00 H new ATOM 1747 N ASN A 110 -9.478 4.385 6.049 1.00 0.00 N ATOM 1748 CA ASN A 110 -10.024 4.512 7.394 1.00 0.00 C ATOM 1749 C ASN A 110 -11.399 5.146 7.288 1.00 0.00 C ATOM 1750 O ASN A 110 -12.344 4.740 7.960 1.00 0.00 O ATOM 1751 CB ASN A 110 -9.108 5.360 8.283 1.00 0.00 C ATOM 1752 CG ASN A 110 -9.702 5.617 9.654 1.00 0.00 C ATOM 1753 OD1 ASN A 110 -10.064 6.746 9.985 1.00 0.00 O ATOM 1754 ND2 ASN A 110 -9.803 4.566 10.459 1.00 0.00 N ATOM 0 H ASN A 110 -8.582 4.851 5.905 1.00 0.00 H new ATOM 0 HA ASN A 110 -10.098 3.527 7.854 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -8.148 4.856 8.396 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.911 6.313 7.792 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -10.194 4.676 11.395 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -9.490 3.649 10.142 1.00 0.00 H new ATOM 1761 N GLY A 111 -11.500 6.120 6.391 1.00 0.00 N ATOM 1762 CA GLY A 111 -12.757 6.775 6.144 1.00 0.00 C ATOM 1763 C GLY A 111 -13.741 5.814 5.520 1.00 0.00 C ATOM 1764 O GLY A 111 -14.936 5.908 5.752 1.00 0.00 O ATOM 0 H GLY A 111 -10.722 6.466 5.829 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -13.162 7.163 7.079 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -12.605 7.629 5.484 1.00 0.00 H new ATOM 1768 N TRP A 112 -13.229 4.872 4.728 1.00 0.00 N ATOM 1769 CA TRP A 112 -14.080 3.881 4.079 1.00 0.00 C ATOM 1770 C TRP A 112 -14.875 3.099 5.119 1.00 0.00 C ATOM 1771 O TRP A 112 -16.101 3.020 5.053 1.00 0.00 O ATOM 1772 CB TRP A 112 -13.214 2.902 3.282 1.00 0.00 C ATOM 1773 CG TRP A 112 -13.656 1.502 3.509 1.00 0.00 C ATOM 1774 CD1 TRP A 112 -14.805 0.967 3.047 1.00 0.00 C ATOM 1775 CD2 TRP A 112 -13.016 0.487 4.296 1.00 0.00 C ATOM 1776 NE1 TRP A 112 -14.930 -0.318 3.472 1.00 0.00 N ATOM 1777 CE2 TRP A 112 -13.842 -0.646 4.240 1.00 0.00 C ATOM 1778 CE3 TRP A 112 -11.827 0.416 5.032 1.00 0.00 C ATOM 1779 CZ2 TRP A 112 -13.521 -1.833 4.895 1.00 0.00 C ATOM 1780 CZ3 TRP A 112 -11.512 -0.762 5.681 1.00 0.00 C ATOM 1781 CH2 TRP A 112 -12.357 -1.872 5.608 1.00 0.00 C ATOM 0 H TRP A 112 -12.235 4.776 4.523 1.00 0.00 H new ATOM 0 HA TRP A 112 -14.769 4.400 3.413 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -13.273 3.139 2.220 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -12.170 3.011 3.576 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -15.523 1.485 2.428 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -15.709 -0.939 3.254 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -11.167 1.269 5.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -14.171 -2.694 4.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -10.599 -0.826 6.254 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -12.084 -2.780 6.126 1.00 0.00 H new ATOM 1792 N GLU A 113 -14.161 2.527 6.076 1.00 0.00 N ATOM 1793 CA GLU A 113 -14.790 1.752 7.142 1.00 0.00 C ATOM 1794 C GLU A 113 -15.617 2.656 8.061 1.00 0.00 C ATOM 1795 O GLU A 113 -16.777 2.374 8.360 1.00 0.00 O ATOM 1796 CB GLU A 113 -13.727 1.016 7.960 1.00 0.00 C ATOM 1797 CG GLU A 113 -14.304 0.176 9.089 1.00 0.00 C ATOM 1798 CD GLU A 113 -13.330 -0.869 9.595 1.00 0.00 C ATOM 1799 OE1 GLU A 113 -12.415 -1.248 8.833 1.00 0.00 O ATOM 1800 OE2 GLU A 113 -13.482 -1.312 10.754 1.00 0.00 O ATOM 0 H GLU A 113 -13.145 2.583 6.139 1.00 0.00 H new ATOM 0 HA GLU A 113 -15.457 1.023 6.681 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -13.151 0.371 7.296 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -13.033 1.745 8.378 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.591 0.829 9.913 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -15.212 -0.317 8.742 1.00 0.00 H new ATOM 1807 N ALA A 114 -14.980 3.732 8.523 1.00 0.00 N ATOM 1808 CA ALA A 114 -15.602 4.694 9.435 1.00 0.00 C ATOM 1809 C ALA A 114 -16.750 5.474 8.798 1.00 0.00 C ATOM 1810 O ALA A 114 -17.773 5.706 9.441 1.00 0.00 O ATOM 1811 CB ALA A 114 -14.550 5.657 9.967 1.00 0.00 C ATOM 0 H ALA A 114 -14.018 3.962 8.276 1.00 0.00 H new ATOM 0 HA ALA A 114 -16.034 4.118 10.253 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -15.019 6.370 10.645 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -13.783 5.098 10.503 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.094 6.193 9.135 1.00 0.00 H new ATOM 1817 N SER A 115 -16.571 5.899 7.544 1.00 0.00 N ATOM 1818 CA SER A 115 -17.595 6.681 6.830 1.00 0.00 C ATOM 1819 C SER A 115 -19.007 6.202 7.140 1.00 0.00 C ATOM 1820 O SER A 115 -19.963 6.975 7.083 1.00 0.00 O ATOM 1821 CB SER A 115 -17.371 6.620 5.317 1.00 0.00 C ATOM 1822 OG SER A 115 -16.443 7.605 4.896 1.00 0.00 O ATOM 0 H SER A 115 -15.728 5.717 6.999 1.00 0.00 H new ATOM 0 HA SER A 115 -17.496 7.709 7.179 1.00 0.00 H new ATOM 0 HB2 SER A 115 -17.006 5.631 5.040 1.00 0.00 H new ATOM 0 HB3 SER A 115 -18.320 6.766 4.800 1.00 0.00 H new ATOM 0 HG SER A 115 -15.573 7.434 5.313 1.00 0.00 H new ATOM 1828 N GLY A 116 -19.132 4.922 7.444 1.00 0.00 N ATOM 1829 CA GLY A 116 -20.430 4.357 7.734 1.00 0.00 C ATOM 1830 C GLY A 116 -20.834 3.366 6.670 1.00 0.00 C ATOM 1831 O GLY A 116 -21.583 2.426 6.932 1.00 0.00 O ATOM 0 H GLY A 116 -18.356 4.262 7.495 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -20.408 3.865 8.706 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -21.172 5.153 7.796 1.00 0.00 H new ATOM 1835 N LYS A 117 -20.311 3.572 5.465 1.00 0.00 N ATOM 1836 CA LYS A 117 -20.597 2.679 4.355 1.00 0.00 C ATOM 1837 C LYS A 117 -20.035 1.293 4.658 1.00 0.00 C ATOM 1838 O LYS A 117 -18.846 1.151 4.941 1.00 0.00 O ATOM 1839 CB LYS A 117 -19.994 3.229 3.056 1.00 0.00 C ATOM 1840 CG LYS A 117 -18.487 3.034 2.941 1.00 0.00 C ATOM 1841 CD LYS A 117 -17.939 3.646 1.659 1.00 0.00 C ATOM 1842 CE LYS A 117 -17.102 4.884 1.942 1.00 0.00 C ATOM 1843 NZ LYS A 117 -15.861 4.916 1.118 1.00 0.00 N ATOM 0 H LYS A 117 -19.689 4.348 5.236 1.00 0.00 H new ATOM 0 HA LYS A 117 -21.677 2.606 4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -20.478 2.744 2.209 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -20.219 4.293 2.985 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -17.994 3.487 3.801 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -18.254 1.969 2.965 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -17.332 2.908 1.134 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -18.765 3.908 0.998 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -17.694 5.777 1.741 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -16.837 4.909 2.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -15.319 5.775 1.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -15.283 4.077 1.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -16.114 4.918 0.109 1.00 0.00 H new ATOM 1857 N PRO A 118 -20.872 0.246 4.615 1.00 0.00 N ATOM 1858 CA PRO A 118 -20.429 -1.119 4.897 1.00 0.00 C ATOM 1859 C PRO A 118 -19.187 -1.495 4.098 1.00 0.00 C ATOM 1860 O PRO A 118 -18.815 -0.805 3.149 1.00 0.00 O ATOM 1861 CB PRO A 118 -21.624 -1.993 4.481 1.00 0.00 C ATOM 1862 CG PRO A 118 -22.564 -1.083 3.758 1.00 0.00 C ATOM 1863 CD PRO A 118 -22.304 0.295 4.292 1.00 0.00 C ATOM 0 HA PRO A 118 -20.148 -1.244 5.943 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -21.303 -2.814 3.839 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -22.104 -2.439 5.352 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -22.394 -1.122 2.682 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -23.600 -1.378 3.928 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -22.527 1.065 3.554 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -22.911 0.511 5.171 1.00 0.00 H new ATOM 1871 N VAL A 119 -18.559 -2.600 4.479 1.00 0.00 N ATOM 1872 CA VAL A 119 -17.370 -3.075 3.788 1.00 0.00 C ATOM 1873 C VAL A 119 -17.795 -4.037 2.681 1.00 0.00 C ATOM 1874 O VAL A 119 -18.825 -4.700 2.809 1.00 0.00 O ATOM 1875 CB VAL A 119 -16.368 -3.734 4.766 1.00 0.00 C ATOM 1876 CG1 VAL A 119 -16.369 -3.008 6.106 1.00 0.00 C ATOM 1877 CG2 VAL A 119 -16.664 -5.215 4.958 1.00 0.00 C ATOM 0 H VAL A 119 -18.854 -3.183 5.262 1.00 0.00 H new ATOM 0 HA VAL A 119 -16.849 -2.227 3.344 1.00 0.00 H new ATOM 0 HB VAL A 119 -15.374 -3.651 4.326 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -15.658 -3.487 6.780 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -16.083 -1.967 5.956 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -17.367 -3.050 6.542 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -15.940 -5.644 5.651 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -17.669 -5.336 5.362 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -16.595 -5.727 3.998 1.00 0.00 H new ATOM 1887 N CYS A 120 -17.048 -4.074 1.570 1.00 0.00 N ATOM 1888 CA CYS A 120 -17.428 -4.921 0.426 1.00 0.00 C ATOM 1889 C CYS A 120 -18.948 -4.981 0.226 1.00 0.00 C ATOM 1890 O CYS A 120 -19.515 -4.091 -0.403 1.00 0.00 O ATOM 1891 CB CYS A 120 -16.837 -6.339 0.498 1.00 0.00 C ATOM 1892 SG CYS A 120 -16.544 -7.058 -1.142 1.00 0.00 S ATOM 0 H CYS A 120 -16.191 -3.538 1.437 1.00 0.00 H new ATOM 0 HA CYS A 120 -16.990 -4.435 -0.446 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -15.898 -6.309 1.051 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -17.516 -6.983 1.057 1.00 0.00 H new ATOM 1897 N ARG A 121 -19.608 -6.031 0.734 1.00 0.00 N ATOM 1898 CA ARG A 121 -21.043 -6.177 0.548 1.00 0.00 C ATOM 1899 C ARG A 121 -21.321 -6.303 -0.945 1.00 0.00 C ATOM 1900 O ARG A 121 -21.534 -7.401 -1.457 1.00 0.00 O ATOM 1901 CB ARG A 121 -21.800 -4.985 1.144 1.00 0.00 C ATOM 1902 CG ARG A 121 -23.303 -5.037 0.909 1.00 0.00 C ATOM 1903 CD ARG A 121 -24.078 -4.642 2.157 1.00 0.00 C ATOM 1904 NE ARG A 121 -25.511 -4.894 2.014 1.00 0.00 N ATOM 1905 CZ ARG A 121 -26.446 -4.315 2.766 1.00 0.00 C ATOM 1906 NH1 ARG A 121 -26.104 -3.447 3.711 1.00 0.00 N ATOM 1907 NH2 ARG A 121 -27.725 -4.605 2.572 1.00 0.00 N ATOM 0 H ARG A 121 -19.170 -6.780 1.270 1.00 0.00 H new ATOM 0 HA ARG A 121 -21.391 -7.070 1.068 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -21.610 -4.944 2.217 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -21.406 -4.064 0.715 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -23.567 -4.369 0.089 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -23.590 -6.044 0.605 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -23.696 -5.199 3.013 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -23.915 -3.585 2.366 1.00 0.00 H new ATOM 0 HE ARG A 121 -25.813 -5.552 1.296 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -25.121 -3.221 3.864 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -26.824 -3.007 4.284 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -27.993 -5.271 1.847 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -28.441 -4.162 3.147 1.00 0.00 H new ATOM 1921 N CYS A 122 -21.257 -5.167 -1.637 1.00 0.00 N ATOM 1922 CA CYS A 122 -21.443 -5.105 -3.084 1.00 0.00 C ATOM 1923 C CYS A 122 -22.490 -6.102 -3.585 1.00 0.00 C ATOM 1924 O CYS A 122 -23.302 -6.619 -2.818 1.00 0.00 O ATOM 1925 CB CYS A 122 -20.098 -5.353 -3.784 1.00 0.00 C ATOM 1926 SG CYS A 122 -18.698 -4.495 -3.027 1.00 0.00 S ATOM 0 H CYS A 122 -21.074 -4.260 -1.207 1.00 0.00 H new ATOM 0 HA CYS A 122 -21.814 -4.109 -3.326 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -19.895 -6.424 -3.787 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -20.180 -5.042 -4.825 1.00 0.00 H new ATOM 1931 N ALA A 123 -22.461 -6.349 -4.889 1.00 0.00 N ATOM 1932 CA ALA A 123 -23.378 -7.262 -5.544 1.00 0.00 C ATOM 1933 C ALA A 123 -23.128 -7.189 -7.037 1.00 0.00 C ATOM 1934 O ALA A 123 -23.329 -8.156 -7.772 1.00 0.00 O ATOM 1935 CB ALA A 123 -24.824 -6.910 -5.217 1.00 0.00 C ATOM 0 H ALA A 123 -21.792 -5.915 -5.524 1.00 0.00 H new ATOM 0 HA ALA A 123 -23.208 -8.278 -5.187 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -25.491 -7.609 -5.720 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -24.979 -6.972 -4.140 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -25.037 -5.897 -5.557 1.00 0.00 H new ATOM 1941 N GLU A 124 -22.675 -6.014 -7.470 1.00 0.00 N ATOM 1942 CA GLU A 124 -22.379 -5.771 -8.856 1.00 0.00 C ATOM 1943 C GLU A 124 -21.416 -4.597 -8.997 1.00 0.00 C ATOM 1944 O GLU A 124 -20.706 -4.261 -8.050 1.00 0.00 O ATOM 1945 CB GLU A 124 -23.675 -5.511 -9.608 1.00 0.00 C ATOM 1946 CG GLU A 124 -24.908 -5.416 -8.719 1.00 0.00 C ATOM 1947 CD GLU A 124 -26.109 -4.842 -9.446 1.00 0.00 C ATOM 1948 OE1 GLU A 124 -26.123 -3.617 -9.691 1.00 0.00 O ATOM 1949 OE2 GLU A 124 -27.032 -5.617 -9.770 1.00 0.00 O ATOM 0 H GLU A 124 -22.507 -5.213 -6.861 1.00 0.00 H new ATOM 0 HA GLU A 124 -21.894 -6.648 -9.284 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -23.575 -4.583 -10.171 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -23.826 -6.309 -10.335 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -25.156 -6.408 -8.342 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -24.680 -4.794 -7.854 1.00 0.00 H new ATOM 1956 N VAL A 125 -21.375 -3.998 -10.188 1.00 0.00 N ATOM 1957 CA VAL A 125 -20.480 -2.881 -10.460 1.00 0.00 C ATOM 1958 C VAL A 125 -19.036 -3.268 -10.157 1.00 0.00 C ATOM 1959 O VAL A 125 -18.781 -4.299 -9.537 1.00 0.00 O ATOM 1960 CB VAL A 125 -20.878 -1.605 -9.674 1.00 0.00 C ATOM 1961 CG1 VAL A 125 -22.362 -1.324 -9.846 1.00 0.00 C ATOM 1962 CG2 VAL A 125 -20.526 -1.709 -8.193 1.00 0.00 C ATOM 0 H VAL A 125 -21.956 -4.272 -10.981 1.00 0.00 H new ATOM 0 HA VAL A 125 -20.570 -2.646 -11.521 1.00 0.00 H new ATOM 0 HB VAL A 125 -20.304 -0.775 -10.086 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -22.629 -0.426 -9.289 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -22.584 -1.176 -10.903 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -22.938 -2.169 -9.469 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -20.823 -0.793 -7.683 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -21.052 -2.556 -7.753 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -19.451 -1.853 -8.084 1.00 0.00 H new ATOM 1972 N PRO A 126 -18.068 -2.462 -10.605 1.00 0.00 N ATOM 1973 CA PRO A 126 -16.651 -2.748 -10.384 1.00 0.00 C ATOM 1974 C PRO A 126 -16.273 -2.721 -8.904 1.00 0.00 C ATOM 1975 O PRO A 126 -15.591 -1.798 -8.462 1.00 0.00 O ATOM 1976 CB PRO A 126 -15.927 -1.624 -11.144 1.00 0.00 C ATOM 1977 CG PRO A 126 -16.950 -1.043 -12.062 1.00 0.00 C ATOM 1978 CD PRO A 126 -18.269 -1.224 -11.371 1.00 0.00 C ATOM 0 HA PRO A 126 -16.385 -3.748 -10.727 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -15.542 -0.870 -10.457 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -15.075 -2.012 -11.701 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -16.750 0.011 -12.253 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -16.942 -1.549 -13.027 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -18.505 -0.381 -10.722 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -19.089 -1.317 -12.083 1.00 0.00 H new ATOM 1986 N CYS A 127 -16.726 -3.735 -8.143 1.00 0.00 N ATOM 1987 CA CYS A 127 -16.437 -3.838 -6.697 1.00 0.00 C ATOM 1988 C CYS A 127 -15.495 -2.721 -6.220 1.00 0.00 C ATOM 1989 O CYS A 127 -15.907 -1.835 -5.476 1.00 0.00 O ATOM 1990 CB CYS A 127 -15.831 -5.213 -6.371 1.00 0.00 C ATOM 1991 SG CYS A 127 -16.545 -6.039 -4.923 1.00 0.00 S ATOM 0 H CYS A 127 -17.296 -4.499 -8.506 1.00 0.00 H new ATOM 0 HA CYS A 127 -17.382 -3.724 -6.166 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -15.953 -5.862 -7.238 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -14.760 -5.093 -6.211 1.00 0.00 H new ATOM 1996 N LYS A 128 -14.240 -2.767 -6.675 1.00 0.00 N ATOM 1997 CA LYS A 128 -13.235 -1.758 -6.318 1.00 0.00 C ATOM 1998 C LYS A 128 -11.906 -2.084 -6.980 1.00 0.00 C ATOM 1999 O LYS A 128 -11.836 -2.933 -7.869 1.00 0.00 O ATOM 2000 CB LYS A 128 -13.013 -1.717 -4.808 1.00 0.00 C ATOM 2001 CG LYS A 128 -13.274 -0.363 -4.158 1.00 0.00 C ATOM 2002 CD LYS A 128 -14.624 0.221 -4.539 1.00 0.00 C ATOM 2003 CE LYS A 128 -14.677 1.721 -4.284 1.00 0.00 C ATOM 2004 NZ LYS A 128 -15.653 2.072 -3.216 1.00 0.00 N ATOM 0 H LYS A 128 -13.892 -3.498 -7.296 1.00 0.00 H new ATOM 0 HA LYS A 128 -13.605 -0.792 -6.661 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -13.660 -2.459 -4.340 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -11.985 -2.012 -4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -13.221 -0.469 -3.074 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -12.487 0.333 -4.449 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -14.823 0.023 -5.592 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -15.410 -0.274 -3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -13.686 2.075 -4.000 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -14.948 2.236 -5.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -15.657 3.102 -3.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -16.603 1.757 -3.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -15.381 1.602 -2.329 1.00 0.00 H new ATOM 2018 N GLY A 129 -10.840 -1.439 -6.507 1.00 0.00 N ATOM 2019 CA GLY A 129 -9.527 -1.719 -7.035 1.00 0.00 C ATOM 2020 C GLY A 129 -9.202 -3.185 -6.854 1.00 0.00 C ATOM 2021 O GLY A 129 -9.099 -3.926 -7.833 1.00 0.00 O ATOM 0 H GLY A 129 -10.868 -0.733 -5.772 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -9.487 -1.456 -8.092 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -8.783 -1.107 -6.526 1.00 0.00 H new ATOM 2025 N ASP A 130 -9.092 -3.623 -5.598 1.00 0.00 N ATOM 2026 CA ASP A 130 -8.839 -5.039 -5.330 1.00 0.00 C ATOM 2027 C ASP A 130 -9.616 -5.552 -4.107 1.00 0.00 C ATOM 2028 O ASP A 130 -9.388 -5.136 -2.968 1.00 0.00 O ATOM 2029 CB ASP A 130 -7.335 -5.295 -5.153 1.00 0.00 C ATOM 2030 CG ASP A 130 -6.795 -4.799 -3.825 1.00 0.00 C ATOM 2031 OD1 ASP A 130 -7.011 -5.484 -2.803 1.00 0.00 O ATOM 2032 OD2 ASP A 130 -6.153 -3.729 -3.808 1.00 0.00 O ATOM 0 H ASP A 130 -9.172 -3.034 -4.769 1.00 0.00 H new ATOM 0 HA ASP A 130 -9.197 -5.595 -6.196 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -7.143 -6.364 -5.239 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -6.793 -4.807 -5.963 1.00 0.00 H new ATOM 2037 N CYS A 131 -10.523 -6.482 -4.356 1.00 0.00 N ATOM 2038 CA CYS A 131 -11.328 -7.082 -3.301 1.00 0.00 C ATOM 2039 C CYS A 131 -10.630 -8.309 -2.721 1.00 0.00 C ATOM 2040 O CYS A 131 -10.678 -8.554 -1.516 1.00 0.00 O ATOM 2041 CB CYS A 131 -12.701 -7.477 -3.847 1.00 0.00 C ATOM 2042 SG CYS A 131 -12.643 -8.744 -5.137 1.00 0.00 S ATOM 0 H CYS A 131 -10.723 -6.842 -5.289 1.00 0.00 H new ATOM 0 HA CYS A 131 -11.455 -6.346 -2.507 1.00 0.00 H new ATOM 0 HB2 CYS A 131 -13.317 -7.839 -3.024 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -13.191 -6.589 -4.246 1.00 0.00 H new ATOM 0 HG CYS A 131 -13.851 -9.014 -5.535 1.00 0.00 H new ATOM 2048 N ALA A 132 -9.983 -9.076 -3.591 1.00 0.00 N ATOM 2049 CA ALA A 132 -9.273 -10.279 -3.173 1.00 0.00 C ATOM 2050 C ALA A 132 -8.462 -10.862 -4.324 1.00 0.00 C ATOM 2051 O ALA A 132 -7.927 -11.979 -4.164 1.00 0.00 O ATOM 2052 CB ALA A 132 -10.257 -11.312 -2.641 1.00 0.00 C ATOM 2053 OXT ALA A 132 -8.373 -10.201 -5.380 1.00 0.00 O ATOM 0 H ALA A 132 -9.935 -8.886 -4.592 1.00 0.00 H new ATOM 0 HA ALA A 132 -8.581 -10.007 -2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -9.715 -12.206 -2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -10.792 -10.898 -1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -10.970 -11.572 -3.424 1.00 0.00 H new TER 2059 ALA A 132 HETATM 2060 ZN ZN A 201 -16.596 -5.379 -2.822 1.00 0.00 ZN