USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1017 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 59 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.36) USER MOD Set 2.1: A 57 HIS : no HD1:sc= -2.47! C(o=-2.3!,f=-7.3!) USER MOD Set 2.2: A 66 ASN : amide:sc= 0.15 K(o=-2.3,f=-6.2) USER MOD Set 3.1: A 16 HIS : no HE2:sc= -1.54 K(o=-1.6,f=-3.8) USER MOD Set 3.2: A 31 GLN : amide:sc= -0.0544 K(o=-1.6,f=-2.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 0.0265 (180deg=0.00203) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 6 LYS NZ :NH3+ -173:sc= -0.0381 (180deg=-0.114) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -156:sc= 0.662 (180deg=-0.283) USER MOD Single : A 13 THR OG1 : rot 76:sc= 0.24 USER MOD Single : A 14 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.21) USER MOD Single : A 15 GLN : amide:sc= 0.426 K(o=0.43,f=-12!) USER MOD Single : A 26 ASN : amide:sc= -0.015 X(o=-0.015,f=-0.33) USER MOD Single : A 33 SER OG : rot 180:sc= -1.11 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 122:sc= 0.326 USER MOD Single : A 53 LYS NZ :NH3+ -126:sc= -0.474 (180deg=-1.3!) USER MOD Single : A 61 THR OG1 : rot -120:sc= 1.31 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 75:sc= -0.596 USER MOD Single : A 70 THR OG1 : rot -46:sc= 0.454 USER MOD Single : A 79 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.13) USER MOD Single : A 89 SER OG : rot 30:sc= -0.126 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= -1.2 X(o=-1.2,f=-1.3) USER MOD Single : A 106 ASN :FLIP amide:sc= -0.114 F(o=-1.1,f=-0.11) USER MOD Single : A 109 GLN : amide:sc= -0.0553 X(o=-0.055,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS :FLIP no HE2:sc= -0.354 F(o=-1.9,f=-0.35) USER MOD Single : A 119 GLN : amide:sc= 0.445 X(o=0.44,f=0) USER MOD Single : A 123 ASN : amide:sc= -0.22 K(o=-0.22,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.762 25.951 0.250 1.00 0.00 N ATOM 2 CA MET A 1 8.965 26.744 -0.128 1.00 0.00 C ATOM 3 C MET A 1 10.239 26.166 0.496 1.00 0.00 C ATOM 4 O MET A 1 11.166 25.785 -0.219 1.00 0.00 O ATOM 5 CB MET A 1 8.763 28.198 0.318 1.00 0.00 C ATOM 6 CG MET A 1 8.172 29.087 -0.765 1.00 0.00 C ATOM 7 SD MET A 1 6.369 29.024 -0.816 1.00 0.00 S ATOM 8 CE MET A 1 6.089 28.529 -2.516 1.00 0.00 C ATOM 0 H1 MET A 1 6.907 26.523 0.096 1.00 0.00 H new ATOM 0 H2 MET A 1 7.715 25.092 -0.335 1.00 0.00 H new ATOM 0 H3 MET A 1 7.823 25.684 1.253 1.00 0.00 H new ATOM 0 HA MET A 1 9.087 26.701 -1.210 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.108 28.215 1.189 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.722 28.610 0.632 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.490 30.116 -0.598 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.569 28.784 -1.734 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.018 28.448 -2.700 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.517 29.274 -3.187 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.562 27.564 -2.697 1.00 0.00 H new ATOM 20 N VAL A 2 10.276 26.102 1.829 1.00 0.00 N ATOM 21 CA VAL A 2 11.438 25.568 2.540 1.00 0.00 C ATOM 22 C VAL A 2 11.686 24.098 2.194 1.00 0.00 C ATOM 23 O VAL A 2 10.804 23.414 1.672 1.00 0.00 O ATOM 24 CB VAL A 2 11.285 25.705 4.072 1.00 0.00 C ATOM 25 CG1 VAL A 2 11.436 27.157 4.501 1.00 0.00 C ATOM 26 CG2 VAL A 2 9.949 25.140 4.535 1.00 0.00 C ATOM 0 H VAL A 2 9.517 26.412 2.435 1.00 0.00 H new ATOM 0 HA VAL A 2 12.293 26.161 2.214 1.00 0.00 H new ATOM 0 HB VAL A 2 12.079 25.127 4.545 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.325 27.230 5.583 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.422 27.521 4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.670 27.761 4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.864 25.247 5.616 1.00 0.00 H new ATOM 0 HG22 VAL A 2 9.137 25.683 4.051 1.00 0.00 H new ATOM 0 HG23 VAL A 2 9.889 24.085 4.269 1.00 0.00 H new ATOM 36 N ALA A 3 12.896 23.624 2.486 1.00 0.00 N ATOM 37 CA ALA A 3 13.274 22.242 2.204 1.00 0.00 C ATOM 38 C ALA A 3 12.859 21.309 3.342 1.00 0.00 C ATOM 39 O ALA A 3 13.598 21.127 4.311 1.00 0.00 O ATOM 40 CB ALA A 3 14.775 22.150 1.960 1.00 0.00 C ATOM 0 H ALA A 3 13.633 24.180 2.919 1.00 0.00 H new ATOM 0 HA ALA A 3 12.748 21.923 1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 3 15.047 21.115 1.751 1.00 0.00 H new ATOM 0 HB2 ALA A 3 15.044 22.775 1.109 1.00 0.00 H new ATOM 0 HB3 ALA A 3 15.309 22.493 2.846 1.00 0.00 H new ATOM 46 N THR A 4 11.674 20.714 3.212 1.00 0.00 N ATOM 47 CA THR A 4 11.158 19.794 4.223 1.00 0.00 C ATOM 48 C THR A 4 10.213 18.780 3.589 1.00 0.00 C ATOM 49 O THR A 4 9.203 19.154 2.989 1.00 0.00 O ATOM 50 CB THR A 4 10.434 20.557 5.341 1.00 0.00 C ATOM 51 OG1 THR A 4 9.872 21.765 4.858 1.00 0.00 O ATOM 52 CG2 THR A 4 11.333 20.903 6.511 1.00 0.00 C ATOM 0 H THR A 4 11.053 20.853 2.415 1.00 0.00 H new ATOM 0 HA THR A 4 12.005 19.265 4.659 1.00 0.00 H new ATOM 0 HB THR A 4 9.656 19.877 5.687 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.416 22.229 5.591 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.758 21.441 7.265 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.733 19.987 6.945 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.155 21.530 6.165 1.00 0.00 H new ATOM 60 N VAL A 5 10.542 17.498 3.724 1.00 0.00 N ATOM 61 CA VAL A 5 9.714 16.440 3.160 1.00 0.00 C ATOM 62 C VAL A 5 9.347 15.400 4.215 1.00 0.00 C ATOM 63 O VAL A 5 10.221 14.746 4.789 1.00 0.00 O ATOM 64 CB VAL A 5 10.421 15.736 1.981 1.00 0.00 C ATOM 65 CG1 VAL A 5 9.464 14.790 1.265 1.00 0.00 C ATOM 66 CG2 VAL A 5 10.996 16.758 1.011 1.00 0.00 C ATOM 0 H VAL A 5 11.372 17.169 4.217 1.00 0.00 H new ATOM 0 HA VAL A 5 8.804 16.916 2.795 1.00 0.00 H new ATOM 0 HB VAL A 5 11.245 15.146 2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 5 9.983 14.305 0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 5 9.109 14.033 1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 5 8.615 15.354 0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 5 11.490 16.241 0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 5 10.191 17.380 0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 5 11.719 17.386 1.531 1.00 0.00 H new ATOM 76 N LYS A 6 8.045 15.250 4.456 1.00 0.00 N ATOM 77 CA LYS A 6 7.544 14.285 5.430 1.00 0.00 C ATOM 78 C LYS A 6 6.402 13.467 4.826 1.00 0.00 C ATOM 79 O LYS A 6 5.284 13.964 4.673 1.00 0.00 O ATOM 80 CB LYS A 6 7.068 15.001 6.698 1.00 0.00 C ATOM 81 CG LYS A 6 8.172 15.226 7.722 1.00 0.00 C ATOM 82 CD LYS A 6 8.979 16.479 7.411 1.00 0.00 C ATOM 83 CE LYS A 6 8.512 17.665 8.241 1.00 0.00 C ATOM 84 NZ LYS A 6 7.181 18.171 7.798 1.00 0.00 N ATOM 0 H LYS A 6 7.316 15.788 3.987 1.00 0.00 H new ATOM 0 HA LYS A 6 8.357 13.610 5.697 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.638 15.964 6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.271 14.416 7.158 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.734 15.312 8.717 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.835 14.361 7.739 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.035 16.291 7.606 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.888 16.717 6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.458 17.374 9.290 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.246 18.468 8.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.955 19.048 8.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.205 18.362 6.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.453 17.456 8.000 1.00 0.00 H new ATOM 98 N ARG A 7 6.700 12.217 4.477 1.00 0.00 N ATOM 99 CA ARG A 7 5.710 11.325 3.878 1.00 0.00 C ATOM 100 C ARG A 7 5.464 10.097 4.753 1.00 0.00 C ATOM 101 O ARG A 7 6.194 9.848 5.715 1.00 0.00 O ATOM 102 CB ARG A 7 6.180 10.885 2.489 1.00 0.00 C ATOM 103 CG ARG A 7 5.127 11.047 1.408 1.00 0.00 C ATOM 104 CD ARG A 7 5.499 10.280 0.149 1.00 0.00 C ATOM 105 NE ARG A 7 5.452 11.122 -1.043 1.00 0.00 N ATOM 106 CZ ARG A 7 6.412 11.979 -1.393 1.00 0.00 C ATOM 107 NH1 ARG A 7 7.504 12.113 -0.640 1.00 0.00 N ATOM 108 NH2 ARG A 7 6.282 12.705 -2.497 1.00 0.00 N ATOM 0 H ARG A 7 7.622 11.798 4.599 1.00 0.00 H new ATOM 0 HA ARG A 7 4.772 11.873 3.792 1.00 0.00 H new ATOM 0 HB2 ARG A 7 7.062 11.463 2.214 1.00 0.00 H new ATOM 0 HB3 ARG A 7 6.485 9.839 2.533 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.165 10.694 1.780 1.00 0.00 H new ATOM 0 HG3 ARG A 7 5.008 12.104 1.170 1.00 0.00 H new ATOM 0 HD2 ARG A 7 6.501 9.866 0.260 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.818 9.438 0.024 1.00 0.00 H new ATOM 0 HE ARG A 7 4.633 11.050 -1.646 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.609 11.558 0.209 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.235 12.770 -0.913 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.448 12.607 -3.077 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.016 13.361 -2.766 1.00 0.00 H new ATOM 122 N THR A 8 4.431 9.328 4.405 1.00 0.00 N ATOM 123 CA THR A 8 4.080 8.120 5.148 1.00 0.00 C ATOM 124 C THR A 8 3.102 7.260 4.350 1.00 0.00 C ATOM 125 O THR A 8 2.030 7.725 3.957 1.00 0.00 O ATOM 126 CB THR A 8 3.475 8.487 6.510 1.00 0.00 C ATOM 127 OG1 THR A 8 3.189 7.323 7.269 1.00 0.00 O ATOM 128 CG2 THR A 8 2.196 9.294 6.404 1.00 0.00 C ATOM 0 H THR A 8 3.822 9.523 3.610 1.00 0.00 H new ATOM 0 HA THR A 8 4.990 7.544 5.313 1.00 0.00 H new ATOM 0 HB THR A 8 4.231 9.100 7.001 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.806 7.582 8.133 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.823 9.518 7.403 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.396 10.225 5.874 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.447 8.720 5.858 1.00 0.00 H new ATOM 136 N ILE A 9 3.476 6.002 4.115 1.00 0.00 N ATOM 137 CA ILE A 9 2.628 5.081 3.368 1.00 0.00 C ATOM 138 C ILE A 9 2.038 4.015 4.288 1.00 0.00 C ATOM 139 O ILE A 9 2.770 3.315 4.990 1.00 0.00 O ATOM 140 CB ILE A 9 3.398 4.400 2.211 1.00 0.00 C ATOM 141 CG1 ILE A 9 2.447 3.550 1.365 1.00 0.00 C ATOM 142 CG2 ILE A 9 4.547 3.550 2.746 1.00 0.00 C ATOM 143 CD1 ILE A 9 2.900 3.382 -0.069 1.00 0.00 C ATOM 0 H ILE A 9 4.359 5.601 4.431 1.00 0.00 H new ATOM 0 HA ILE A 9 1.819 5.672 2.939 1.00 0.00 H new ATOM 0 HB ILE A 9 3.822 5.180 1.578 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.347 2.566 1.823 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.458 4.008 1.374 1.00 0.00 H new ATOM 0 HG21 ILE A 9 5.072 3.082 1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.239 4.182 3.302 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.152 2.777 3.405 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.179 2.769 -0.609 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.973 4.360 -0.544 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.875 2.896 -0.088 1.00 0.00 H new ATOM 155 N ARG A 10 0.711 3.904 4.286 1.00 0.00 N ATOM 156 CA ARG A 10 0.022 2.928 5.126 1.00 0.00 C ATOM 157 C ARG A 10 -0.794 1.956 4.279 1.00 0.00 C ATOM 158 O ARG A 10 -1.698 2.366 3.549 1.00 0.00 O ATOM 159 CB ARG A 10 -0.892 3.638 6.126 1.00 0.00 C ATOM 160 CG ARG A 10 -0.893 3.001 7.508 1.00 0.00 C ATOM 161 CD ARG A 10 -2.290 2.967 8.109 1.00 0.00 C ATOM 162 NE ARG A 10 -2.673 4.255 8.687 1.00 0.00 N ATOM 163 CZ ARG A 10 -3.652 4.409 9.584 1.00 0.00 C ATOM 164 NH1 ARG A 10 -4.341 3.356 10.017 1.00 0.00 N ATOM 165 NH2 ARG A 10 -3.942 5.617 10.050 1.00 0.00 N ATOM 0 H ARG A 10 0.092 4.478 3.712 1.00 0.00 H new ATOM 0 HA ARG A 10 0.777 2.362 5.671 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.581 4.679 6.215 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.910 3.642 5.736 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.500 1.986 7.442 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.227 3.558 8.166 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.009 2.688 7.338 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.334 2.197 8.879 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.162 5.086 8.388 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.123 2.424 9.664 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.087 3.481 10.702 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.418 6.429 9.724 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.689 5.734 10.734 1.00 0.00 H new ATOM 179 N ILE A 11 -0.476 0.667 4.389 1.00 0.00 N ATOM 180 CA ILE A 11 -1.186 -0.366 3.639 1.00 0.00 C ATOM 181 C ILE A 11 -1.774 -1.420 4.577 1.00 0.00 C ATOM 182 O ILE A 11 -1.091 -1.910 5.479 1.00 0.00 O ATOM 183 CB ILE A 11 -0.274 -1.059 2.601 1.00 0.00 C ATOM 184 CG1 ILE A 11 1.098 -1.373 3.202 1.00 0.00 C ATOM 185 CG2 ILE A 11 -0.126 -0.191 1.360 1.00 0.00 C ATOM 186 CD1 ILE A 11 1.911 -2.342 2.373 1.00 0.00 C ATOM 0 H ILE A 11 0.269 0.314 4.990 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.993 0.137 3.107 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.741 -2.001 2.313 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.658 -0.445 3.315 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.962 -1.787 4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.519 -0.694 0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.106 -0.023 0.914 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.316 0.767 1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.871 -2.519 2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.371 -3.285 2.282 1.00 0.00 H new ATOM 0 HD13 ILE A 11 2.078 -1.922 1.381 1.00 0.00 H new ATOM 198 N LYS A 12 -3.046 -1.760 4.361 1.00 0.00 N ATOM 199 CA LYS A 12 -3.728 -2.750 5.190 1.00 0.00 C ATOM 200 C LYS A 12 -4.218 -3.928 4.353 1.00 0.00 C ATOM 201 O LYS A 12 -4.605 -3.763 3.193 1.00 0.00 O ATOM 202 CB LYS A 12 -4.910 -2.105 5.914 1.00 0.00 C ATOM 203 CG LYS A 12 -4.538 -1.444 7.234 1.00 0.00 C ATOM 204 CD LYS A 12 -5.512 -0.336 7.591 1.00 0.00 C ATOM 205 CE LYS A 12 -5.072 1.000 7.012 1.00 0.00 C ATOM 206 NZ LYS A 12 -6.210 1.757 6.414 1.00 0.00 N ATOM 0 H LYS A 12 -3.623 -1.363 3.619 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.013 -3.124 5.923 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.361 -1.359 5.260 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.668 -2.866 6.101 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.528 -2.192 8.027 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.529 -1.037 7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.504 -0.587 7.216 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.592 -0.255 8.675 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.611 1.600 7.797 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.310 0.831 6.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.848 2.422 5.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.870 1.092 5.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.706 2.285 7.160 1.00 0.00 H new ATOM 220 N THR A 13 -4.201 -5.118 4.951 1.00 0.00 N ATOM 221 CA THR A 13 -4.642 -6.334 4.272 1.00 0.00 C ATOM 222 C THR A 13 -5.504 -7.190 5.202 1.00 0.00 C ATOM 223 O THR A 13 -5.030 -7.665 6.237 1.00 0.00 O ATOM 224 CB THR A 13 -3.437 -7.146 3.783 1.00 0.00 C ATOM 225 OG1 THR A 13 -2.313 -6.309 3.564 1.00 0.00 O ATOM 226 CG2 THR A 13 -3.706 -7.899 2.498 1.00 0.00 C ATOM 0 H THR A 13 -3.885 -5.266 5.909 1.00 0.00 H new ATOM 0 HA THR A 13 -5.242 -6.040 3.410 1.00 0.00 H new ATOM 0 HB THR A 13 -3.239 -7.867 4.576 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.915 -6.064 4.425 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.813 -8.453 2.207 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.531 -8.595 2.650 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.968 -7.193 1.710 1.00 0.00 H new ATOM 234 N GLN A 14 -6.768 -7.378 4.826 1.00 0.00 N ATOM 235 CA GLN A 14 -7.705 -8.169 5.622 1.00 0.00 C ATOM 236 C GLN A 14 -8.304 -9.306 4.793 1.00 0.00 C ATOM 237 O GLN A 14 -8.474 -9.172 3.580 1.00 0.00 O ATOM 238 CB GLN A 14 -8.820 -7.266 6.161 1.00 0.00 C ATOM 239 CG GLN A 14 -9.714 -7.934 7.194 1.00 0.00 C ATOM 240 CD GLN A 14 -10.043 -7.020 8.361 1.00 0.00 C ATOM 241 OE1 GLN A 14 -10.355 -5.844 8.173 1.00 0.00 O ATOM 242 NE2 GLN A 14 -9.975 -7.557 9.574 1.00 0.00 N ATOM 0 H GLN A 14 -7.168 -6.991 3.971 1.00 0.00 H new ATOM 0 HA GLN A 14 -7.161 -8.609 6.458 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.371 -6.378 6.605 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.435 -6.929 5.327 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -10.640 -8.253 6.715 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.222 -8.832 7.568 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.712 -8.536 9.684 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.186 -6.990 10.395 1.00 0.00 H new ATOM 251 N GLN A 15 -8.625 -10.424 5.450 1.00 0.00 N ATOM 252 CA GLN A 15 -9.203 -11.575 4.762 1.00 0.00 C ATOM 253 C GLN A 15 -10.025 -12.430 5.723 1.00 0.00 C ATOM 254 O GLN A 15 -9.666 -12.579 6.889 1.00 0.00 O ATOM 255 CB GLN A 15 -8.093 -12.421 4.131 1.00 0.00 C ATOM 256 CG GLN A 15 -8.602 -13.553 3.254 1.00 0.00 C ATOM 257 CD GLN A 15 -7.740 -14.795 3.344 1.00 0.00 C ATOM 258 OE1 GLN A 15 -6.522 -14.708 3.488 1.00 0.00 O ATOM 259 NE2 GLN A 15 -8.368 -15.961 3.256 1.00 0.00 N ATOM 0 H GLN A 15 -8.494 -10.554 6.453 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.865 -11.206 3.979 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.451 -11.773 3.534 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.474 -12.840 4.924 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.622 -13.802 3.545 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.639 -13.216 2.218 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.381 -15.987 3.137 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.838 -16.831 3.308 1.00 0.00 H new ATOM 268 N HIS A 16 -11.126 -12.999 5.236 1.00 0.00 N ATOM 269 CA HIS A 16 -11.975 -13.842 6.081 1.00 0.00 C ATOM 270 C HIS A 16 -12.637 -14.954 5.270 1.00 0.00 C ATOM 271 O HIS A 16 -13.403 -14.684 4.348 1.00 0.00 O ATOM 272 CB HIS A 16 -13.057 -13.003 6.769 1.00 0.00 C ATOM 273 CG HIS A 16 -12.545 -11.784 7.474 1.00 0.00 C ATOM 274 ND1 HIS A 16 -11.887 -11.837 8.685 1.00 0.00 N ATOM 275 CD2 HIS A 16 -12.622 -10.476 7.145 1.00 0.00 C ATOM 276 CE1 HIS A 16 -11.583 -10.611 9.069 1.00 0.00 C ATOM 277 NE2 HIS A 16 -12.017 -9.764 8.153 1.00 0.00 N ATOM 0 H HIS A 16 -11.450 -12.895 4.274 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.333 -14.295 6.837 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.789 -12.695 6.022 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -13.582 -13.630 7.490 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -11.670 -12.689 9.202 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -13.075 -10.066 6.255 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.066 -10.345 9.979 1.00 0.00 H new ATOM 286 N ILE A 17 -12.357 -16.206 5.629 1.00 0.00 N ATOM 287 CA ILE A 17 -12.949 -17.343 4.931 1.00 0.00 C ATOM 288 C ILE A 17 -14.278 -17.737 5.574 1.00 0.00 C ATOM 289 O ILE A 17 -14.304 -18.408 6.607 1.00 0.00 O ATOM 290 CB ILE A 17 -12.005 -18.566 4.915 1.00 0.00 C ATOM 291 CG1 ILE A 17 -10.613 -18.165 4.414 1.00 0.00 C ATOM 292 CG2 ILE A 17 -12.586 -19.674 4.045 1.00 0.00 C ATOM 293 CD1 ILE A 17 -9.580 -19.267 4.535 1.00 0.00 C ATOM 0 H ILE A 17 -11.729 -16.456 6.393 1.00 0.00 H new ATOM 0 HA ILE A 17 -13.119 -17.030 3.901 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.908 -18.940 5.934 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.686 -17.861 3.370 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.271 -17.296 4.976 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.909 -20.528 4.044 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -13.554 -19.978 4.442 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -12.711 -19.309 3.026 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.621 -18.909 4.161 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.477 -19.556 5.581 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.898 -20.130 3.950 1.00 0.00 H new ATOM 305 N LEU A 18 -15.378 -17.310 4.957 1.00 0.00 N ATOM 306 CA LEU A 18 -16.716 -17.612 5.460 1.00 0.00 C ATOM 307 C LEU A 18 -17.751 -17.522 4.337 1.00 0.00 C ATOM 308 O LEU A 18 -18.068 -16.428 3.865 1.00 0.00 O ATOM 309 CB LEU A 18 -17.093 -16.650 6.592 1.00 0.00 C ATOM 310 CG LEU A 18 -17.628 -17.318 7.862 1.00 0.00 C ATOM 311 CD1 LEU A 18 -17.438 -16.405 9.065 1.00 0.00 C ATOM 312 CD2 LEU A 18 -19.096 -17.691 7.696 1.00 0.00 C ATOM 0 H LEU A 18 -15.368 -16.751 4.104 1.00 0.00 H new ATOM 0 HA LEU A 18 -16.708 -18.631 5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -16.215 -16.059 6.853 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -17.846 -15.955 6.221 1.00 0.00 H new ATOM 0 HG LEU A 18 -17.062 -18.234 8.033 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -17.824 -16.896 9.959 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -16.377 -16.193 9.197 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -17.977 -15.472 8.902 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -19.457 -18.164 8.609 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -19.680 -16.792 7.498 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -19.203 -18.384 6.862 1.00 0.00 H new ATOM 324 N PRO A 19 -18.284 -18.675 3.885 1.00 0.00 N ATOM 325 CA PRO A 19 -19.277 -18.719 2.803 1.00 0.00 C ATOM 326 C PRO A 19 -20.604 -18.056 3.183 1.00 0.00 C ATOM 327 O PRO A 19 -21.098 -17.190 2.461 1.00 0.00 O ATOM 328 CB PRO A 19 -19.475 -20.219 2.548 1.00 0.00 C ATOM 329 CG PRO A 19 -19.023 -20.895 3.797 1.00 0.00 C ATOM 330 CD PRO A 19 -17.950 -20.022 4.385 1.00 0.00 C ATOM 0 HA PRO A 19 -18.935 -18.168 1.927 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -20.519 -20.447 2.334 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -18.893 -20.552 1.688 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -19.851 -21.016 4.495 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -18.639 -21.892 3.582 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -17.956 -20.058 5.474 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.957 -20.335 4.062 1.00 0.00 H new ATOM 338 N GLU A 20 -21.179 -18.478 4.314 1.00 0.00 N ATOM 339 CA GLU A 20 -22.456 -17.937 4.792 1.00 0.00 C ATOM 340 C GLU A 20 -23.563 -18.070 3.733 1.00 0.00 C ATOM 341 O GLU A 20 -24.561 -17.347 3.774 1.00 0.00 O ATOM 342 CB GLU A 20 -22.290 -16.468 5.199 1.00 0.00 C ATOM 343 CG GLU A 20 -23.009 -16.110 6.491 1.00 0.00 C ATOM 344 CD GLU A 20 -22.392 -14.918 7.193 1.00 0.00 C ATOM 345 OE1 GLU A 20 -21.188 -14.977 7.519 1.00 0.00 O ATOM 346 OE2 GLU A 20 -23.114 -13.924 7.419 1.00 0.00 O ATOM 0 H GLU A 20 -20.778 -19.196 4.918 1.00 0.00 H new ATOM 0 HA GLU A 20 -22.757 -18.521 5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -21.228 -16.248 5.311 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -22.664 -15.833 4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -24.055 -15.896 6.272 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -22.993 -16.970 7.161 1.00 0.00 H new ATOM 353 N VAL A 21 -23.381 -18.995 2.790 1.00 0.00 N ATOM 354 CA VAL A 21 -24.359 -19.219 1.728 1.00 0.00 C ATOM 355 C VAL A 21 -24.785 -20.690 1.674 1.00 0.00 C ATOM 356 O VAL A 21 -23.948 -21.586 1.800 1.00 0.00 O ATOM 357 CB VAL A 21 -23.793 -18.786 0.354 1.00 0.00 C ATOM 358 CG1 VAL A 21 -22.533 -19.571 0.007 1.00 0.00 C ATOM 359 CG2 VAL A 21 -24.841 -18.937 -0.740 1.00 0.00 C ATOM 0 H VAL A 21 -22.563 -19.602 2.741 1.00 0.00 H new ATOM 0 HA VAL A 21 -25.234 -18.610 1.955 1.00 0.00 H new ATOM 0 HB VAL A 21 -23.525 -17.732 0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -22.157 -19.246 -0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -21.773 -19.394 0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -22.766 -20.635 -0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -24.417 -18.626 -1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -25.153 -19.979 -0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -25.704 -18.314 -0.506 1.00 0.00 H new ATOM 369 N PRO A 22 -26.094 -20.964 1.483 1.00 0.00 N ATOM 370 CA PRO A 22 -26.615 -22.337 1.410 1.00 0.00 C ATOM 371 C PRO A 22 -25.942 -23.157 0.303 1.00 0.00 C ATOM 372 O PRO A 22 -25.586 -22.617 -0.748 1.00 0.00 O ATOM 373 CB PRO A 22 -28.108 -22.152 1.105 1.00 0.00 C ATOM 374 CG PRO A 22 -28.244 -20.746 0.625 1.00 0.00 C ATOM 375 CD PRO A 22 -27.167 -19.967 1.322 1.00 0.00 C ATOM 0 HA PRO A 22 -26.425 -22.887 2.332 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -28.445 -22.860 0.348 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -28.715 -22.324 1.994 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -28.128 -20.690 -0.457 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -29.230 -20.346 0.861 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -26.839 -19.112 0.731 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -27.506 -19.579 2.283 1.00 0.00 H new ATOM 383 N PRO A 23 -25.755 -24.476 0.526 1.00 0.00 N ATOM 384 CA PRO A 23 -25.118 -25.367 -0.455 1.00 0.00 C ATOM 385 C PRO A 23 -25.990 -25.602 -1.686 1.00 0.00 C ATOM 386 O PRO A 23 -26.874 -26.462 -1.681 1.00 0.00 O ATOM 387 CB PRO A 23 -24.917 -26.672 0.321 1.00 0.00 C ATOM 388 CG PRO A 23 -25.957 -26.644 1.387 1.00 0.00 C ATOM 389 CD PRO A 23 -26.142 -25.197 1.754 1.00 0.00 C ATOM 0 HA PRO A 23 -24.193 -24.943 -0.845 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -25.038 -27.540 -0.327 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -23.915 -26.729 0.747 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -26.891 -27.078 1.031 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -25.644 -27.228 2.252 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -27.173 -24.984 2.036 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -25.515 -24.914 2.600 1.00 0.00 H new ATOM 397 N VAL A 24 -25.729 -24.831 -2.738 1.00 0.00 N ATOM 398 CA VAL A 24 -26.478 -24.941 -3.987 1.00 0.00 C ATOM 399 C VAL A 24 -25.579 -25.405 -5.141 1.00 0.00 C ATOM 400 O VAL A 24 -26.003 -26.194 -5.988 1.00 0.00 O ATOM 401 CB VAL A 24 -27.151 -23.599 -4.358 1.00 0.00 C ATOM 402 CG1 VAL A 24 -26.111 -22.512 -4.600 1.00 0.00 C ATOM 403 CG2 VAL A 24 -28.049 -23.764 -5.576 1.00 0.00 C ATOM 0 H VAL A 24 -24.999 -24.118 -2.750 1.00 0.00 H new ATOM 0 HA VAL A 24 -27.254 -25.690 -3.827 1.00 0.00 H new ATOM 0 HB VAL A 24 -27.770 -23.291 -3.515 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -26.613 -21.580 -4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -25.519 -22.367 -3.696 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -25.456 -22.811 -5.418 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -28.512 -22.808 -5.819 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -27.454 -24.105 -6.423 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -28.825 -24.498 -5.359 1.00 0.00 H new ATOM 413 N GLU A 25 -24.337 -24.915 -5.163 1.00 0.00 N ATOM 414 CA GLU A 25 -23.375 -25.278 -6.207 1.00 0.00 C ATOM 415 C GLU A 25 -21.995 -24.695 -5.907 1.00 0.00 C ATOM 416 O GLU A 25 -20.977 -25.368 -6.074 1.00 0.00 O ATOM 417 CB GLU A 25 -23.855 -24.805 -7.589 1.00 0.00 C ATOM 418 CG GLU A 25 -24.461 -23.408 -7.594 1.00 0.00 C ATOM 419 CD GLU A 25 -23.925 -22.532 -8.713 1.00 0.00 C ATOM 420 OE1 GLU A 25 -22.687 -22.432 -8.853 1.00 0.00 O ATOM 421 OE2 GLU A 25 -24.746 -21.944 -9.448 1.00 0.00 O ATOM 0 H GLU A 25 -23.973 -24.264 -4.467 1.00 0.00 H new ATOM 0 HA GLU A 25 -23.299 -26.365 -6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -23.013 -24.826 -8.281 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -24.595 -25.511 -7.966 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -25.544 -23.488 -7.690 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -24.260 -22.928 -6.636 1.00 0.00 H new ATOM 428 N ASN A 26 -21.973 -23.438 -5.468 1.00 0.00 N ATOM 429 CA ASN A 26 -20.727 -22.751 -5.141 1.00 0.00 C ATOM 430 C ASN A 26 -20.156 -23.235 -3.807 1.00 0.00 C ATOM 431 O ASN A 26 -20.722 -24.120 -3.159 1.00 0.00 O ATOM 432 CB ASN A 26 -20.966 -21.238 -5.083 1.00 0.00 C ATOM 433 CG ASN A 26 -20.200 -20.476 -6.150 1.00 0.00 C ATOM 434 OD1 ASN A 26 -19.011 -20.716 -6.367 1.00 0.00 O ATOM 435 ND2 ASN A 26 -20.877 -19.548 -6.819 1.00 0.00 N ATOM 0 H ASN A 26 -22.810 -22.872 -5.330 1.00 0.00 H new ATOM 0 HA ASN A 26 -20.002 -22.979 -5.923 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -22.032 -21.039 -5.197 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -20.676 -20.867 -4.100 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -20.413 -19.002 -7.545 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -21.861 -19.382 -6.607 1.00 0.00 H new ATOM 442 N PHE A 27 -19.033 -22.640 -3.402 1.00 0.00 N ATOM 443 CA PHE A 27 -18.376 -22.992 -2.144 1.00 0.00 C ATOM 444 C PHE A 27 -17.185 -22.071 -1.862 1.00 0.00 C ATOM 445 O PHE A 27 -17.097 -21.485 -0.783 1.00 0.00 O ATOM 446 CB PHE A 27 -17.916 -24.457 -2.158 1.00 0.00 C ATOM 447 CG PHE A 27 -18.425 -25.262 -0.990 1.00 0.00 C ATOM 448 CD1 PHE A 27 -18.335 -24.771 0.304 1.00 0.00 C ATOM 449 CD2 PHE A 27 -18.991 -26.512 -1.189 1.00 0.00 C ATOM 450 CE1 PHE A 27 -18.798 -25.513 1.375 1.00 0.00 C ATOM 451 CE2 PHE A 27 -19.455 -27.256 -0.122 1.00 0.00 C ATOM 452 CZ PHE A 27 -19.359 -26.756 1.162 1.00 0.00 C ATOM 0 H PHE A 27 -18.558 -21.908 -3.931 1.00 0.00 H new ATOM 0 HA PHE A 27 -19.107 -22.862 -1.346 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -18.250 -24.925 -3.084 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -16.826 -24.487 -2.161 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -17.898 -23.798 0.477 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -19.070 -26.909 -2.190 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -18.721 -25.120 2.378 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -19.893 -28.229 -0.292 1.00 0.00 H new ATOM 0 HZ PHE A 27 -19.722 -27.336 1.997 1.00 0.00 H new ATOM 462 N PRO A 28 -16.240 -21.936 -2.824 1.00 0.00 N ATOM 463 CA PRO A 28 -15.053 -21.083 -2.656 1.00 0.00 C ATOM 464 C PRO A 28 -15.412 -19.611 -2.447 1.00 0.00 C ATOM 465 O PRO A 28 -15.488 -18.836 -3.403 1.00 0.00 O ATOM 466 CB PRO A 28 -14.279 -21.269 -3.970 1.00 0.00 C ATOM 467 CG PRO A 28 -14.812 -22.529 -4.561 1.00 0.00 C ATOM 468 CD PRO A 28 -16.248 -22.602 -4.139 1.00 0.00 C ATOM 0 HA PRO A 28 -14.481 -21.361 -1.771 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -14.432 -20.424 -4.641 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -13.207 -21.342 -3.789 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -14.724 -22.519 -5.647 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.255 -23.395 -4.204 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -16.903 -22.092 -4.846 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -16.596 -23.632 -4.068 1.00 0.00 H new ATOM 476 N VAL A 29 -15.636 -19.236 -1.189 1.00 0.00 N ATOM 477 CA VAL A 29 -15.992 -17.863 -0.846 1.00 0.00 C ATOM 478 C VAL A 29 -15.150 -17.352 0.321 1.00 0.00 C ATOM 479 O VAL A 29 -15.206 -17.897 1.425 1.00 0.00 O ATOM 480 CB VAL A 29 -17.487 -17.743 -0.478 1.00 0.00 C ATOM 481 CG1 VAL A 29 -17.884 -16.284 -0.311 1.00 0.00 C ATOM 482 CG2 VAL A 29 -18.358 -18.422 -1.527 1.00 0.00 C ATOM 0 H VAL A 29 -15.577 -19.866 -0.389 1.00 0.00 H new ATOM 0 HA VAL A 29 -15.793 -17.255 -1.729 1.00 0.00 H new ATOM 0 HB VAL A 29 -17.645 -18.250 0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -18.941 -16.222 -0.052 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -17.289 -15.834 0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -17.707 -15.750 -1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -19.407 -18.325 -1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -18.196 -17.950 -2.496 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -18.095 -19.478 -1.590 1.00 0.00 H new ATOM 492 N ARG A 30 -14.372 -16.300 0.067 1.00 0.00 N ATOM 493 CA ARG A 30 -13.516 -15.705 1.092 1.00 0.00 C ATOM 494 C ARG A 30 -13.559 -14.176 1.009 1.00 0.00 C ATOM 495 O ARG A 30 -14.002 -13.613 0.009 1.00 0.00 O ATOM 496 CB ARG A 30 -12.067 -16.194 0.943 1.00 0.00 C ATOM 497 CG ARG A 30 -11.944 -17.684 0.646 1.00 0.00 C ATOM 498 CD ARG A 30 -10.608 -18.025 -0.001 1.00 0.00 C ATOM 499 NE ARG A 30 -10.741 -19.064 -1.024 1.00 0.00 N ATOM 500 CZ ARG A 30 -9.752 -19.880 -1.403 1.00 0.00 C ATOM 501 NH1 ARG A 30 -8.542 -19.781 -0.853 1.00 0.00 N ATOM 502 NH2 ARG A 30 -9.973 -20.797 -2.338 1.00 0.00 N ATOM 0 H ARG A 30 -14.317 -15.842 -0.843 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.893 -16.017 2.066 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.585 -15.633 0.142 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -11.523 -15.970 1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.054 -18.249 1.572 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.756 -17.991 -0.013 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.183 -17.127 -0.450 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.909 -18.359 0.766 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.648 -19.172 -1.478 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.364 -19.078 -0.136 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.794 -20.408 -1.149 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.896 -20.878 -2.765 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.220 -21.421 -2.629 1.00 0.00 H new ATOM 516 N GLN A 31 -13.097 -13.510 2.063 1.00 0.00 N ATOM 517 CA GLN A 31 -13.083 -12.049 2.105 1.00 0.00 C ATOM 518 C GLN A 31 -11.680 -11.520 1.839 1.00 0.00 C ATOM 519 O GLN A 31 -10.692 -12.187 2.141 1.00 0.00 O ATOM 520 CB GLN A 31 -13.579 -11.549 3.463 1.00 0.00 C ATOM 521 CG GLN A 31 -14.760 -10.592 3.372 1.00 0.00 C ATOM 522 CD GLN A 31 -15.245 -10.129 4.733 1.00 0.00 C ATOM 523 OE1 GLN A 31 -14.897 -9.041 5.193 1.00 0.00 O ATOM 524 NE2 GLN A 31 -16.057 -10.953 5.388 1.00 0.00 N ATOM 0 H GLN A 31 -12.727 -13.958 2.901 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.751 -11.679 1.327 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -13.864 -12.406 4.073 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.758 -11.050 3.978 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -14.474 -9.724 2.778 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.580 -11.082 2.846 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -16.322 -11.846 4.972 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -16.416 -10.692 6.307 1.00 0.00 H new ATOM 533 N TRP A 32 -11.599 -10.319 1.273 1.00 0.00 N ATOM 534 CA TRP A 32 -10.312 -9.704 0.962 1.00 0.00 C ATOM 535 C TRP A 32 -10.423 -8.181 0.894 1.00 0.00 C ATOM 536 O TRP A 32 -11.328 -7.639 0.257 1.00 0.00 O ATOM 537 CB TRP A 32 -9.759 -10.255 -0.358 1.00 0.00 C ATOM 538 CG TRP A 32 -10.714 -10.150 -1.511 1.00 0.00 C ATOM 539 CD1 TRP A 32 -11.944 -10.735 -1.617 1.00 0.00 C ATOM 540 CD2 TRP A 32 -10.514 -9.416 -2.724 1.00 0.00 C ATOM 541 NE1 TRP A 32 -12.522 -10.406 -2.820 1.00 0.00 N ATOM 542 CE2 TRP A 32 -11.663 -9.598 -3.518 1.00 0.00 C ATOM 543 CE3 TRP A 32 -9.476 -8.621 -3.215 1.00 0.00 C ATOM 544 CZ2 TRP A 32 -11.799 -9.013 -4.775 1.00 0.00 C ATOM 545 CZ3 TRP A 32 -9.612 -8.042 -4.462 1.00 0.00 C ATOM 546 CH2 TRP A 32 -10.766 -8.241 -5.231 1.00 0.00 C ATOM 0 H TRP A 32 -12.409 -9.753 1.020 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.622 -9.955 1.767 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -8.843 -9.719 -0.608 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.488 -11.301 -0.218 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.396 -11.364 -0.865 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -13.440 -10.713 -3.141 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.582 -8.462 -2.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -12.689 -9.164 -5.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -8.815 -7.425 -4.851 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -10.841 -7.776 -6.203 1.00 0.00 H new ATOM 557 N SER A 33 -9.495 -7.495 1.560 1.00 0.00 N ATOM 558 CA SER A 33 -9.481 -6.036 1.583 1.00 0.00 C ATOM 559 C SER A 33 -8.051 -5.499 1.574 1.00 0.00 C ATOM 560 O SER A 33 -7.236 -5.869 2.420 1.00 0.00 O ATOM 561 CB SER A 33 -10.219 -5.520 2.822 1.00 0.00 C ATOM 562 OG SER A 33 -10.053 -4.119 2.975 1.00 0.00 O ATOM 0 H SER A 33 -8.741 -7.930 2.092 1.00 0.00 H new ATOM 0 HA SER A 33 -9.988 -5.681 0.686 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.280 -5.756 2.740 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.846 -6.032 3.709 1.00 0.00 H new ATOM 0 HG SER A 33 -10.536 -3.818 3.773 1.00 0.00 H new ATOM 568 N ILE A 34 -7.757 -4.620 0.616 1.00 0.00 N ATOM 569 CA ILE A 34 -6.430 -4.020 0.501 1.00 0.00 C ATOM 570 C ILE A 34 -6.525 -2.517 0.238 1.00 0.00 C ATOM 571 O ILE A 34 -7.249 -2.076 -0.658 1.00 0.00 O ATOM 572 CB ILE A 34 -5.596 -4.686 -0.616 1.00 0.00 C ATOM 573 CG1 ILE A 34 -4.160 -4.147 -0.605 1.00 0.00 C ATOM 574 CG2 ILE A 34 -6.244 -4.466 -1.978 1.00 0.00 C ATOM 575 CD1 ILE A 34 -3.210 -4.967 0.243 1.00 0.00 C ATOM 0 H ILE A 34 -8.422 -4.308 -0.092 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.927 -4.185 1.454 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.563 -5.759 -0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.785 -4.115 -1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.169 -3.121 -0.237 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.640 -4.943 -2.750 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.244 -4.900 -1.980 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.312 -3.397 -2.180 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.214 -4.526 0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.561 -4.978 1.275 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.171 -5.988 -0.138 1.00 0.00 H new ATOM 587 N GLU A 35 -5.792 -1.733 1.030 1.00 0.00 N ATOM 588 CA GLU A 35 -5.792 -0.280 0.890 1.00 0.00 C ATOM 589 C GLU A 35 -4.373 0.283 0.972 1.00 0.00 C ATOM 590 O GLU A 35 -3.479 -0.345 1.543 1.00 0.00 O ATOM 591 CB GLU A 35 -6.665 0.355 1.976 1.00 0.00 C ATOM 592 CG GLU A 35 -6.271 -0.042 3.389 1.00 0.00 C ATOM 593 CD GLU A 35 -7.403 -0.712 4.144 1.00 0.00 C ATOM 594 OE1 GLU A 35 -7.618 -1.926 3.940 1.00 0.00 O ATOM 595 OE2 GLU A 35 -8.071 -0.022 4.943 1.00 0.00 O ATOM 0 H GLU A 35 -5.190 -2.083 1.776 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.201 -0.037 -0.091 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.611 1.440 1.885 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.704 0.073 1.805 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.417 -0.718 3.348 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.950 0.845 3.935 1.00 0.00 H new ATOM 602 N ILE A 36 -4.180 1.474 0.405 1.00 0.00 N ATOM 603 CA ILE A 36 -2.877 2.131 0.415 1.00 0.00 C ATOM 604 C ILE A 36 -3.024 3.649 0.297 1.00 0.00 C ATOM 605 O ILE A 36 -3.726 4.150 -0.584 1.00 0.00 O ATOM 606 CB ILE A 36 -1.966 1.618 -0.725 1.00 0.00 C ATOM 607 CG1 ILE A 36 -0.609 2.335 -0.696 1.00 0.00 C ATOM 608 CG2 ILE A 36 -2.639 1.800 -2.079 1.00 0.00 C ATOM 609 CD1 ILE A 36 0.366 1.827 -1.735 1.00 0.00 C ATOM 0 H ILE A 36 -4.913 2.003 -0.068 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.412 1.886 1.370 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.796 0.553 -0.570 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.768 3.402 -0.850 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.167 2.218 0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.980 1.432 -2.865 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.574 1.241 -2.099 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.845 2.858 -2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.303 2.379 -1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.555 0.766 -1.569 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.056 1.969 -2.730 1.00 0.00 H new ATOM 621 N VAL A 37 -2.349 4.371 1.188 1.00 0.00 N ATOM 622 CA VAL A 37 -2.387 5.833 1.192 1.00 0.00 C ATOM 623 C VAL A 37 -0.983 6.408 1.368 1.00 0.00 C ATOM 624 O VAL A 37 -0.074 5.711 1.825 1.00 0.00 O ATOM 625 CB VAL A 37 -3.302 6.380 2.309 1.00 0.00 C ATOM 626 CG1 VAL A 37 -4.754 6.013 2.042 1.00 0.00 C ATOM 627 CG2 VAL A 37 -2.857 5.870 3.673 1.00 0.00 C ATOM 0 H VAL A 37 -1.766 3.966 1.920 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.793 6.143 0.229 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.221 7.467 2.313 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.382 6.408 2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.068 6.440 1.089 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.854 4.928 2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.517 6.269 4.444 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.901 4.781 3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.835 6.195 3.867 1.00 0.00 H new ATOM 637 N LEU A 38 -0.808 7.676 1.001 1.00 0.00 N ATOM 638 CA LEU A 38 0.494 8.334 1.117 1.00 0.00 C ATOM 639 C LEU A 38 0.354 9.857 1.131 1.00 0.00 C ATOM 640 O LEU A 38 -0.741 10.394 0.956 1.00 0.00 O ATOM 641 CB LEU A 38 1.408 7.905 -0.034 1.00 0.00 C ATOM 642 CG LEU A 38 0.726 7.792 -1.402 1.00 0.00 C ATOM 643 CD1 LEU A 38 1.595 8.410 -2.488 1.00 0.00 C ATOM 644 CD2 LEU A 38 0.414 6.336 -1.722 1.00 0.00 C ATOM 0 H LEU A 38 -1.548 8.267 0.622 1.00 0.00 H new ATOM 0 HA LEU A 38 0.937 8.027 2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.227 8.620 -0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.850 6.940 0.215 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.213 8.344 -1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.093 8.319 -3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.763 9.463 -2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.552 7.890 -2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.070 6.273 -2.697 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.340 5.761 -1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.251 5.930 -0.960 1.00 0.00 H new ATOM 656 N LEU A 39 1.479 10.545 1.336 1.00 0.00 N ATOM 657 CA LEU A 39 1.498 12.006 1.371 1.00 0.00 C ATOM 658 C LEU A 39 2.137 12.577 0.110 1.00 0.00 C ATOM 659 O LEU A 39 2.788 11.858 -0.648 1.00 0.00 O ATOM 660 CB LEU A 39 2.262 12.499 2.603 1.00 0.00 C ATOM 661 CG LEU A 39 1.386 12.958 3.769 1.00 0.00 C ATOM 662 CD1 LEU A 39 2.206 13.057 5.046 1.00 0.00 C ATOM 663 CD2 LEU A 39 0.729 14.296 3.445 1.00 0.00 C ATOM 0 H LEU A 39 2.391 10.111 1.481 1.00 0.00 H new ATOM 0 HA LEU A 39 0.466 12.352 1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.914 11.698 2.952 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.906 13.326 2.305 1.00 0.00 H new ATOM 0 HG LEU A 39 0.601 12.218 3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.566 13.385 5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.628 12.081 5.284 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.013 13.776 4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.109 14.609 4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.500 15.045 3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.109 14.191 2.555 1.00 0.00 H new ATOM 675 N ASP A 40 1.954 13.881 -0.102 1.00 0.00 N ATOM 676 CA ASP A 40 2.515 14.563 -1.263 1.00 0.00 C ATOM 677 C ASP A 40 2.586 16.067 -1.008 1.00 0.00 C ATOM 678 O ASP A 40 3.656 16.666 -1.092 1.00 0.00 O ATOM 679 CB ASP A 40 1.679 14.283 -2.514 1.00 0.00 C ATOM 680 CG ASP A 40 2.465 13.535 -3.575 1.00 0.00 C ATOM 681 OD1 ASP A 40 2.634 12.307 -3.436 1.00 0.00 O ATOM 682 OD2 ASP A 40 2.914 14.181 -4.542 1.00 0.00 O ATOM 0 H ASP A 40 1.418 14.486 0.520 1.00 0.00 H new ATOM 0 HA ASP A 40 3.523 14.182 -1.429 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.800 13.701 -2.238 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.320 15.226 -2.927 1.00 0.00 H new ATOM 687 N ASP A 41 1.435 16.663 -0.684 1.00 0.00 N ATOM 688 CA ASP A 41 1.355 18.098 -0.401 1.00 0.00 C ATOM 689 C ASP A 41 2.337 18.501 0.700 1.00 0.00 C ATOM 690 O ASP A 41 2.973 19.552 0.614 1.00 0.00 O ATOM 691 CB ASP A 41 -0.079 18.491 -0.005 1.00 0.00 C ATOM 692 CG ASP A 41 -0.580 17.779 1.243 1.00 0.00 C ATOM 693 OD1 ASP A 41 -0.301 16.572 1.400 1.00 0.00 O ATOM 694 OD2 ASP A 41 -1.254 18.431 2.067 1.00 0.00 O ATOM 0 H ASP A 41 0.544 16.172 -0.611 1.00 0.00 H new ATOM 0 HA ASP A 41 1.628 18.633 -1.311 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.120 19.568 0.159 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.750 18.269 -0.835 1.00 0.00 H new ATOM 699 N GLU A 42 2.460 17.660 1.731 1.00 0.00 N ATOM 700 CA GLU A 42 3.375 17.941 2.838 1.00 0.00 C ATOM 701 C GLU A 42 4.765 17.368 2.562 1.00 0.00 C ATOM 702 O GLU A 42 5.769 17.904 3.036 1.00 0.00 O ATOM 703 CB GLU A 42 2.830 17.373 4.149 1.00 0.00 C ATOM 704 CG GLU A 42 2.007 18.377 4.946 1.00 0.00 C ATOM 705 CD GLU A 42 0.607 17.880 5.261 1.00 0.00 C ATOM 706 OE1 GLU A 42 0.479 16.773 5.824 1.00 0.00 O ATOM 707 OE2 GLU A 42 -0.360 18.604 4.950 1.00 0.00 O ATOM 0 H GLU A 42 1.942 16.786 1.821 1.00 0.00 H new ATOM 0 HA GLU A 42 3.458 19.024 2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.214 16.501 3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.663 17.029 4.762 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.524 18.604 5.878 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.938 19.309 4.385 1.00 0.00 H new ATOM 714 N GLY A 43 4.822 16.276 1.796 1.00 0.00 N ATOM 715 CA GLY A 43 6.096 15.657 1.483 1.00 0.00 C ATOM 716 C GLY A 43 6.489 15.821 0.027 1.00 0.00 C ATOM 717 O GLY A 43 6.693 14.837 -0.679 1.00 0.00 O ATOM 0 H GLY A 43 4.009 15.813 1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.871 16.092 2.115 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.047 14.595 1.724 1.00 0.00 H new ATOM 721 N LYS A 44 6.604 17.071 -0.413 1.00 0.00 N ATOM 722 CA LYS A 44 6.988 17.383 -1.788 1.00 0.00 C ATOM 723 C LYS A 44 5.993 16.805 -2.796 1.00 0.00 C ATOM 724 O LYS A 44 6.069 15.628 -3.158 1.00 0.00 O ATOM 725 CB LYS A 44 8.391 16.854 -2.077 1.00 0.00 C ATOM 726 CG LYS A 44 9.477 17.905 -1.935 1.00 0.00 C ATOM 727 CD LYS A 44 10.623 17.656 -2.903 1.00 0.00 C ATOM 728 CE LYS A 44 11.715 18.707 -2.760 1.00 0.00 C ATOM 729 NZ LYS A 44 12.897 18.194 -2.008 1.00 0.00 N ATOM 0 H LYS A 44 6.435 17.892 0.168 1.00 0.00 H new ATOM 0 HA LYS A 44 6.982 18.468 -1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.606 16.028 -1.399 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.417 16.451 -3.089 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.054 18.893 -2.116 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.856 17.903 -0.913 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.044 16.667 -2.723 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.244 17.660 -3.925 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.031 19.036 -3.750 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.311 19.580 -2.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.614 18.944 -1.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.602 17.903 -1.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.300 17.377 -2.510 1.00 0.00 H new ATOM 743 N GLU A 45 5.066 17.645 -3.252 1.00 0.00 N ATOM 744 CA GLU A 45 4.059 17.226 -4.225 1.00 0.00 C ATOM 745 C GLU A 45 4.678 16.990 -5.609 1.00 0.00 C ATOM 746 O GLU A 45 4.138 16.230 -6.415 1.00 0.00 O ATOM 747 CB GLU A 45 2.939 18.269 -4.323 1.00 0.00 C ATOM 748 CG GLU A 45 3.419 19.652 -4.749 1.00 0.00 C ATOM 749 CD GLU A 45 2.856 20.769 -3.889 1.00 0.00 C ATOM 750 OE1 GLU A 45 1.666 20.692 -3.512 1.00 0.00 O ATOM 751 OE2 GLU A 45 3.605 21.724 -3.596 1.00 0.00 O ATOM 0 H GLU A 45 4.991 18.620 -2.963 1.00 0.00 H new ATOM 0 HA GLU A 45 3.639 16.283 -3.877 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.191 17.919 -5.035 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.444 18.349 -3.355 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.508 19.682 -4.705 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.137 19.824 -5.788 1.00 0.00 H new ATOM 758 N ILE A 46 5.812 17.642 -5.879 1.00 0.00 N ATOM 759 CA ILE A 46 6.495 17.495 -7.162 1.00 0.00 C ATOM 760 C ILE A 46 7.682 16.538 -7.040 1.00 0.00 C ATOM 761 O ILE A 46 8.576 16.749 -6.217 1.00 0.00 O ATOM 762 CB ILE A 46 7.000 18.850 -7.699 1.00 0.00 C ATOM 763 CG1 ILE A 46 5.899 19.916 -7.620 1.00 0.00 C ATOM 764 CG2 ILE A 46 7.491 18.698 -9.132 1.00 0.00 C ATOM 765 CD1 ILE A 46 6.282 21.124 -6.789 1.00 0.00 C ATOM 0 H ILE A 46 6.274 18.275 -5.226 1.00 0.00 H new ATOM 0 HA ILE A 46 5.765 17.089 -7.862 1.00 0.00 H new ATOM 0 HB ILE A 46 7.832 19.177 -7.075 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.650 20.244 -8.629 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.999 19.467 -7.199 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.845 19.661 -9.500 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.307 17.976 -9.162 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.673 18.348 -9.762 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.456 21.835 -6.778 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.503 20.809 -5.769 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.163 21.598 -7.221 1.00 0.00 H new ATOM 777 N PRO A 47 7.708 15.468 -7.864 1.00 0.00 N ATOM 778 CA PRO A 47 8.795 14.476 -7.851 1.00 0.00 C ATOM 779 C PRO A 47 10.167 15.108 -8.088 1.00 0.00 C ATOM 780 O PRO A 47 10.265 16.279 -8.460 1.00 0.00 O ATOM 781 CB PRO A 47 8.441 13.536 -9.009 1.00 0.00 C ATOM 782 CG PRO A 47 6.978 13.710 -9.215 1.00 0.00 C ATOM 783 CD PRO A 47 6.683 15.142 -8.875 1.00 0.00 C ATOM 0 HA PRO A 47 8.871 13.978 -6.885 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.999 13.792 -9.910 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.685 12.502 -8.766 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.699 13.488 -10.245 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.410 13.032 -8.578 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.761 15.788 -9.750 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.675 15.262 -8.479 1.00 0.00 H new ATOM 791 N ALA A 48 11.223 14.322 -7.868 1.00 0.00 N ATOM 792 CA ALA A 48 12.594 14.802 -8.054 1.00 0.00 C ATOM 793 C ALA A 48 13.479 13.740 -8.708 1.00 0.00 C ATOM 794 O ALA A 48 14.155 14.012 -9.701 1.00 0.00 O ATOM 795 CB ALA A 48 13.183 15.236 -6.719 1.00 0.00 C ATOM 0 H ALA A 48 11.155 13.352 -7.561 1.00 0.00 H new ATOM 0 HA ALA A 48 12.560 15.660 -8.725 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.203 15.591 -6.869 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.578 16.039 -6.298 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.191 14.389 -6.032 1.00 0.00 H new ATOM 801 N THR A 49 13.475 12.532 -8.144 1.00 0.00 N ATOM 802 CA THR A 49 14.279 11.430 -8.672 1.00 0.00 C ATOM 803 C THR A 49 13.386 10.357 -9.295 1.00 0.00 C ATOM 804 O THR A 49 13.427 10.141 -10.508 1.00 0.00 O ATOM 805 CB THR A 49 15.151 10.820 -7.565 1.00 0.00 C ATOM 806 OG1 THR A 49 15.774 11.836 -6.798 1.00 0.00 O ATOM 807 CG2 THR A 49 16.244 9.911 -8.095 1.00 0.00 C ATOM 0 H THR A 49 12.923 12.292 -7.321 1.00 0.00 H new ATOM 0 HA THR A 49 14.931 11.828 -9.449 1.00 0.00 H new ATOM 0 HB THR A 49 14.469 10.227 -6.956 1.00 0.00 H new ATOM 0 HG1 THR A 49 15.513 11.743 -5.858 1.00 0.00 H new ATOM 0 HG21 THR A 49 16.823 9.514 -7.261 1.00 0.00 H new ATOM 0 HG22 THR A 49 15.795 9.087 -8.650 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.901 10.478 -8.755 1.00 0.00 H new ATOM 815 N ILE A 50 12.573 9.694 -8.468 1.00 0.00 N ATOM 816 CA ILE A 50 11.670 8.656 -8.963 1.00 0.00 C ATOM 817 C ILE A 50 10.285 8.752 -8.308 1.00 0.00 C ATOM 818 O ILE A 50 9.355 9.292 -8.906 1.00 0.00 O ATOM 819 CB ILE A 50 12.246 7.233 -8.753 1.00 0.00 C ATOM 820 CG1 ILE A 50 13.629 7.103 -9.399 1.00 0.00 C ATOM 821 CG2 ILE A 50 11.295 6.185 -9.320 1.00 0.00 C ATOM 822 CD1 ILE A 50 13.613 7.200 -10.912 1.00 0.00 C ATOM 0 H ILE A 50 12.523 9.856 -7.462 1.00 0.00 H new ATOM 0 HA ILE A 50 11.566 8.830 -10.034 1.00 0.00 H new ATOM 0 HB ILE A 50 12.353 7.064 -7.681 1.00 0.00 H new ATOM 0 HG12 ILE A 50 14.279 7.882 -9.002 1.00 0.00 H new ATOM 0 HG13 ILE A 50 14.065 6.147 -9.111 1.00 0.00 H new ATOM 0 HG21 ILE A 50 11.714 5.191 -9.164 1.00 0.00 H new ATOM 0 HG22 ILE A 50 10.332 6.256 -8.814 1.00 0.00 H new ATOM 0 HG23 ILE A 50 11.158 6.358 -10.387 1.00 0.00 H new ATOM 0 HD11 ILE A 50 14.629 7.099 -11.294 1.00 0.00 H new ATOM 0 HD12 ILE A 50 12.991 6.404 -11.321 1.00 0.00 H new ATOM 0 HD13 ILE A 50 13.208 8.167 -11.210 1.00 0.00 H new ATOM 834 N PHE A 51 10.151 8.222 -7.085 1.00 0.00 N ATOM 835 CA PHE A 51 8.876 8.241 -6.362 1.00 0.00 C ATOM 836 C PHE A 51 7.813 7.435 -7.110 1.00 0.00 C ATOM 837 O PHE A 51 7.217 7.913 -8.076 1.00 0.00 O ATOM 838 CB PHE A 51 8.397 9.682 -6.131 1.00 0.00 C ATOM 839 CG PHE A 51 7.021 9.777 -5.520 1.00 0.00 C ATOM 840 CD1 PHE A 51 6.747 9.201 -4.287 1.00 0.00 C ATOM 841 CD2 PHE A 51 6.000 10.441 -6.184 1.00 0.00 C ATOM 842 CE1 PHE A 51 5.484 9.287 -3.731 1.00 0.00 C ATOM 843 CE2 PHE A 51 4.736 10.529 -5.631 1.00 0.00 C ATOM 844 CZ PHE A 51 4.478 9.952 -4.404 1.00 0.00 C ATOM 0 H PHE A 51 10.913 7.774 -6.576 1.00 0.00 H new ATOM 0 HA PHE A 51 9.036 7.776 -5.390 1.00 0.00 H new ATOM 0 HB2 PHE A 51 9.109 10.191 -5.481 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.399 10.212 -7.083 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.530 8.680 -3.756 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.195 10.895 -7.145 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.284 8.834 -2.771 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.951 11.049 -6.159 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.491 10.020 -3.971 1.00 0.00 H new ATOM 854 N ASP A 52 7.586 6.206 -6.648 1.00 0.00 N ATOM 855 CA ASP A 52 6.602 5.317 -7.257 1.00 0.00 C ATOM 856 C ASP A 52 6.211 4.207 -6.288 1.00 0.00 C ATOM 857 O ASP A 52 7.014 3.324 -5.983 1.00 0.00 O ATOM 858 CB ASP A 52 7.152 4.705 -8.550 1.00 0.00 C ATOM 859 CG ASP A 52 6.059 4.101 -9.413 1.00 0.00 C ATOM 860 OD1 ASP A 52 5.424 3.121 -8.971 1.00 0.00 O ATOM 861 OD2 ASP A 52 5.840 4.607 -10.532 1.00 0.00 O ATOM 0 H ASP A 52 8.075 5.803 -5.849 1.00 0.00 H new ATOM 0 HA ASP A 52 5.717 5.907 -7.495 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.677 5.473 -9.118 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.883 3.935 -8.303 1.00 0.00 H new ATOM 866 N LYS A 53 4.976 4.256 -5.803 1.00 0.00 N ATOM 867 CA LYS A 53 4.490 3.252 -4.866 1.00 0.00 C ATOM 868 C LYS A 53 3.540 2.282 -5.565 1.00 0.00 C ATOM 869 O LYS A 53 2.411 2.638 -5.902 1.00 0.00 O ATOM 870 CB LYS A 53 3.801 3.926 -3.675 1.00 0.00 C ATOM 871 CG LYS A 53 4.646 5.007 -3.015 1.00 0.00 C ATOM 872 CD LYS A 53 3.785 6.081 -2.369 1.00 0.00 C ATOM 873 CE LYS A 53 4.407 6.611 -1.082 1.00 0.00 C ATOM 874 NZ LYS A 53 5.842 6.990 -1.253 1.00 0.00 N ATOM 0 H LYS A 53 4.296 4.977 -6.042 1.00 0.00 H new ATOM 0 HA LYS A 53 5.341 2.682 -4.493 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.861 4.365 -4.010 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.552 3.167 -2.933 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.290 4.555 -2.261 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.299 5.463 -3.759 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.645 6.904 -3.070 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.797 5.674 -2.154 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.844 7.479 -0.741 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.325 5.852 -0.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.418 6.498 -0.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.162 6.719 -2.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.946 8.018 -1.133 1.00 0.00 H new ATOM 888 N VAL A 54 4.014 1.057 -5.792 1.00 0.00 N ATOM 889 CA VAL A 54 3.217 0.031 -6.466 1.00 0.00 C ATOM 890 C VAL A 54 2.626 -0.966 -5.471 1.00 0.00 C ATOM 891 O VAL A 54 3.277 -1.347 -4.495 1.00 0.00 O ATOM 892 CB VAL A 54 4.050 -0.746 -7.512 1.00 0.00 C ATOM 893 CG1 VAL A 54 3.140 -1.463 -8.498 1.00 0.00 C ATOM 894 CG2 VAL A 54 5.010 0.177 -8.254 1.00 0.00 C ATOM 0 H VAL A 54 4.948 0.750 -5.519 1.00 0.00 H new ATOM 0 HA VAL A 54 2.408 0.558 -6.972 1.00 0.00 H new ATOM 0 HB VAL A 54 4.642 -1.489 -6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.746 -2.004 -9.225 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.504 -2.167 -7.961 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.517 -0.733 -9.015 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.580 -0.400 -8.982 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.444 0.953 -8.770 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.693 0.640 -7.542 1.00 0.00 H new ATOM 904 N ILE A 55 1.389 -1.387 -5.735 1.00 0.00 N ATOM 905 CA ILE A 55 0.696 -2.343 -4.876 1.00 0.00 C ATOM 906 C ILE A 55 0.298 -3.596 -5.653 1.00 0.00 C ATOM 907 O ILE A 55 0.012 -3.537 -6.850 1.00 0.00 O ATOM 908 CB ILE A 55 -0.572 -1.734 -4.241 1.00 0.00 C ATOM 909 CG1 ILE A 55 -0.328 -0.280 -3.831 1.00 0.00 C ATOM 910 CG2 ILE A 55 -1.016 -2.562 -3.043 1.00 0.00 C ATOM 911 CD1 ILE A 55 -0.737 0.725 -4.887 1.00 0.00 C ATOM 0 H ILE A 55 0.846 -1.078 -6.541 1.00 0.00 H new ATOM 0 HA ILE A 55 1.397 -2.607 -4.085 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.369 -1.748 -4.985 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.877 -0.073 -2.913 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.730 -0.148 -3.606 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.911 -2.119 -2.606 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.235 -3.580 -3.365 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.220 -2.580 -2.298 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.535 1.734 -4.527 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.169 0.545 -5.800 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.802 0.621 -5.096 1.00 0.00 H new ATOM 923 N TYR A 56 0.276 -4.724 -4.949 1.00 0.00 N ATOM 924 CA TYR A 56 -0.091 -6.006 -5.542 1.00 0.00 C ATOM 925 C TYR A 56 -0.868 -6.850 -4.538 1.00 0.00 C ATOM 926 O TYR A 56 -0.428 -7.042 -3.403 1.00 0.00 O ATOM 927 CB TYR A 56 1.157 -6.762 -6.003 1.00 0.00 C ATOM 928 CG TYR A 56 0.870 -7.899 -6.958 1.00 0.00 C ATOM 929 CD1 TYR A 56 0.726 -7.666 -8.320 1.00 0.00 C ATOM 930 CD2 TYR A 56 0.746 -9.206 -6.499 1.00 0.00 C ATOM 931 CE1 TYR A 56 0.472 -8.702 -9.198 1.00 0.00 C ATOM 932 CE2 TYR A 56 0.490 -10.248 -7.372 1.00 0.00 C ATOM 933 CZ TYR A 56 0.354 -9.990 -8.720 1.00 0.00 C ATOM 934 OH TYR A 56 0.102 -11.024 -9.593 1.00 0.00 O ATOM 0 H TYR A 56 0.510 -4.776 -3.958 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.724 -5.814 -6.409 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.837 -6.060 -6.485 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.673 -7.157 -5.128 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.814 -6.658 -8.699 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.851 -9.411 -5.444 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.366 -8.504 -10.254 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.397 -11.258 -7.000 1.00 0.00 H new ATOM 0 HH TYR A 56 0.049 -11.867 -9.095 1.00 0.00 H new ATOM 944 N HIS A 57 -2.026 -7.344 -4.963 1.00 0.00 N ATOM 945 CA HIS A 57 -2.870 -8.163 -4.103 1.00 0.00 C ATOM 946 C HIS A 57 -3.561 -9.257 -4.915 1.00 0.00 C ATOM 947 O HIS A 57 -4.298 -8.965 -5.858 1.00 0.00 O ATOM 948 CB HIS A 57 -3.910 -7.285 -3.398 1.00 0.00 C ATOM 949 CG HIS A 57 -4.766 -6.486 -4.334 1.00 0.00 C ATOM 950 ND1 HIS A 57 -6.120 -6.698 -4.481 1.00 0.00 N ATOM 951 CD2 HIS A 57 -4.451 -5.472 -5.175 1.00 0.00 C ATOM 952 CE1 HIS A 57 -6.601 -5.849 -5.373 1.00 0.00 C ATOM 953 NE2 HIS A 57 -5.609 -5.095 -5.808 1.00 0.00 N ATOM 0 H HIS A 57 -2.401 -7.191 -5.899 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.242 -8.640 -3.350 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -4.552 -7.919 -2.786 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.396 -6.603 -2.720 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.472 -5.041 -5.320 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -7.631 -5.784 -5.692 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -5.690 -4.352 -6.502 1.00 0.00 H new ATOM 962 N LEU A 58 -3.305 -10.517 -4.547 1.00 0.00 N ATOM 963 CA LEU A 58 -3.889 -11.669 -5.240 1.00 0.00 C ATOM 964 C LEU A 58 -3.239 -11.864 -6.610 1.00 0.00 C ATOM 965 O LEU A 58 -2.592 -10.955 -7.133 1.00 0.00 O ATOM 966 CB LEU A 58 -5.404 -11.503 -5.403 1.00 0.00 C ATOM 967 CG LEU A 58 -6.261 -12.254 -4.380 1.00 0.00 C ATOM 968 CD1 LEU A 58 -6.548 -11.377 -3.170 1.00 0.00 C ATOM 969 CD2 LEU A 58 -7.558 -12.726 -5.022 1.00 0.00 C ATOM 0 H LEU A 58 -2.694 -10.765 -3.769 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.699 -12.552 -4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.645 -10.442 -5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.684 -11.838 -6.402 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.705 -13.128 -4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.158 -11.930 -2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.609 -11.089 -2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.083 -10.482 -3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.157 -13.258 -4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.116 -11.865 -5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.331 -13.393 -5.853 1.00 0.00 H new ATOM 981 N HIS A 59 -3.416 -13.050 -7.193 1.00 0.00 N ATOM 982 CA HIS A 59 -2.844 -13.346 -8.502 1.00 0.00 C ATOM 983 C HIS A 59 -3.712 -12.795 -9.636 1.00 0.00 C ATOM 984 O HIS A 59 -3.195 -12.168 -10.560 1.00 0.00 O ATOM 985 CB HIS A 59 -2.632 -14.853 -8.686 1.00 0.00 C ATOM 986 CG HIS A 59 -1.511 -15.190 -9.625 1.00 0.00 C ATOM 987 ND1 HIS A 59 -0.784 -14.236 -10.312 1.00 0.00 N ATOM 988 CD2 HIS A 59 -0.990 -16.387 -9.991 1.00 0.00 C ATOM 989 CE1 HIS A 59 0.129 -14.830 -11.058 1.00 0.00 C ATOM 990 NE2 HIS A 59 0.027 -16.135 -10.881 1.00 0.00 N ATOM 0 H HIS A 59 -3.948 -13.816 -6.780 1.00 0.00 H new ATOM 0 HA HIS A 59 -1.875 -12.850 -8.545 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -2.430 -15.305 -7.715 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.554 -15.299 -9.059 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -1.314 -17.358 -9.647 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.839 -14.333 -11.703 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.609 -16.841 -11.332 1.00 0.00 H new ATOM 999 N PRO A 60 -5.041 -13.021 -9.587 1.00 0.00 N ATOM 1000 CA PRO A 60 -5.975 -12.546 -10.620 1.00 0.00 C ATOM 1001 C PRO A 60 -5.769 -11.086 -11.028 1.00 0.00 C ATOM 1002 O PRO A 60 -6.125 -10.700 -12.143 1.00 0.00 O ATOM 1003 CB PRO A 60 -7.333 -12.705 -9.959 1.00 0.00 C ATOM 1004 CG PRO A 60 -7.163 -13.849 -9.026 1.00 0.00 C ATOM 1005 CD PRO A 60 -5.746 -13.769 -8.526 1.00 0.00 C ATOM 0 HA PRO A 60 -5.842 -13.106 -11.546 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -7.624 -11.799 -9.427 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.111 -12.906 -10.695 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -7.872 -13.788 -8.200 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -7.345 -14.797 -9.533 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.688 -13.254 -7.567 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -5.316 -14.760 -8.382 1.00 0.00 H new ATOM 1013 N THR A 61 -5.190 -10.279 -10.136 1.00 0.00 N ATOM 1014 CA THR A 61 -4.941 -8.869 -10.431 1.00 0.00 C ATOM 1015 C THR A 61 -3.726 -8.705 -11.348 1.00 0.00 C ATOM 1016 O THR A 61 -3.286 -7.584 -11.608 1.00 0.00 O ATOM 1017 CB THR A 61 -4.730 -8.078 -9.135 1.00 0.00 C ATOM 1018 OG1 THR A 61 -3.600 -8.564 -8.428 1.00 0.00 O ATOM 1019 CG2 THR A 61 -5.916 -8.134 -8.195 1.00 0.00 C ATOM 0 H THR A 61 -4.887 -10.577 -9.209 1.00 0.00 H new ATOM 0 HA THR A 61 -5.817 -8.476 -10.947 1.00 0.00 H new ATOM 0 HB THR A 61 -4.587 -7.045 -9.451 1.00 0.00 H new ATOM 0 HG1 THR A 61 -3.878 -8.878 -7.542 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.698 -7.553 -7.299 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.794 -7.720 -8.691 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.112 -9.170 -7.917 1.00 0.00 H new ATOM 1027 N PHE A 62 -3.188 -9.827 -11.836 1.00 0.00 N ATOM 1028 CA PHE A 62 -2.031 -9.800 -12.719 1.00 0.00 C ATOM 1029 C PHE A 62 -2.337 -9.023 -14.001 1.00 0.00 C ATOM 1030 O PHE A 62 -1.461 -8.361 -14.558 1.00 0.00 O ATOM 1031 CB PHE A 62 -1.580 -11.230 -13.048 1.00 0.00 C ATOM 1032 CG PHE A 62 -2.475 -11.960 -14.020 1.00 0.00 C ATOM 1033 CD1 PHE A 62 -2.373 -11.734 -15.384 1.00 0.00 C ATOM 1034 CD2 PHE A 62 -3.412 -12.877 -13.567 1.00 0.00 C ATOM 1035 CE1 PHE A 62 -3.188 -12.406 -16.276 1.00 0.00 C ATOM 1036 CE2 PHE A 62 -4.230 -13.551 -14.454 1.00 0.00 C ATOM 1037 CZ PHE A 62 -4.117 -13.316 -15.811 1.00 0.00 C ATOM 0 H PHE A 62 -3.539 -10.762 -11.631 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.219 -9.288 -12.203 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.571 -11.194 -13.459 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.527 -11.803 -12.122 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.648 -11.024 -15.754 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.504 -13.067 -12.508 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.098 -12.219 -17.336 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.957 -14.261 -14.087 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.754 -13.843 -16.506 1.00 0.00 H new ATOM 1047 N ALA A 63 -3.587 -9.106 -14.461 1.00 0.00 N ATOM 1048 CA ALA A 63 -4.007 -8.407 -15.675 1.00 0.00 C ATOM 1049 C ALA A 63 -3.860 -6.893 -15.523 1.00 0.00 C ATOM 1050 O ALA A 63 -3.530 -6.197 -16.483 1.00 0.00 O ATOM 1051 CB ALA A 63 -5.444 -8.767 -16.028 1.00 0.00 C ATOM 0 H ALA A 63 -4.324 -9.649 -14.012 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.355 -8.728 -16.487 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.740 -8.238 -16.934 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.519 -9.842 -16.195 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.103 -8.480 -15.209 1.00 0.00 H new ATOM 1057 N ASN A 64 -4.103 -6.390 -14.311 1.00 0.00 N ATOM 1058 CA ASN A 64 -3.991 -4.960 -14.041 1.00 0.00 C ATOM 1059 C ASN A 64 -3.629 -4.695 -12.578 1.00 0.00 C ATOM 1060 O ASN A 64 -4.507 -4.629 -11.714 1.00 0.00 O ATOM 1061 CB ASN A 64 -5.301 -4.247 -14.395 1.00 0.00 C ATOM 1062 CG ASN A 64 -5.107 -2.759 -14.617 1.00 0.00 C ATOM 1063 OD1 ASN A 64 -4.785 -2.322 -15.721 1.00 0.00 O ATOM 1064 ND2 ASN A 64 -5.301 -1.970 -13.565 1.00 0.00 N ATOM 0 H ASN A 64 -4.378 -6.952 -13.505 1.00 0.00 H new ATOM 0 HA ASN A 64 -3.189 -4.566 -14.665 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.723 -4.694 -15.295 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -6.024 -4.401 -13.594 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.183 -0.961 -13.656 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.567 -2.374 -12.667 1.00 0.00 H new ATOM 1071 N PRO A 65 -2.323 -4.538 -12.279 1.00 0.00 N ATOM 1072 CA PRO A 65 -1.842 -4.276 -10.914 1.00 0.00 C ATOM 1073 C PRO A 65 -2.207 -2.869 -10.427 1.00 0.00 C ATOM 1074 O PRO A 65 -2.914 -2.131 -11.114 1.00 0.00 O ATOM 1075 CB PRO A 65 -0.322 -4.426 -11.041 1.00 0.00 C ATOM 1076 CG PRO A 65 -0.030 -4.109 -12.465 1.00 0.00 C ATOM 1077 CD PRO A 65 -1.213 -4.606 -13.251 1.00 0.00 C ATOM 0 HA PRO A 65 -2.291 -4.951 -10.185 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.201 -3.746 -10.368 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.001 -5.436 -10.786 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.109 -3.037 -12.606 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.889 -4.596 -12.793 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.405 -3.983 -14.125 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.057 -5.622 -13.612 1.00 0.00 H new ATOM 1085 N ASN A 66 -1.726 -2.510 -9.234 1.00 0.00 N ATOM 1086 CA ASN A 66 -2.011 -1.195 -8.657 1.00 0.00 C ATOM 1087 C ASN A 66 -0.744 -0.348 -8.558 1.00 0.00 C ATOM 1088 O ASN A 66 0.343 -0.866 -8.299 1.00 0.00 O ATOM 1089 CB ASN A 66 -2.653 -1.352 -7.273 1.00 0.00 C ATOM 1090 CG ASN A 66 -4.113 -1.764 -7.355 1.00 0.00 C ATOM 1091 OD1 ASN A 66 -4.511 -2.791 -6.807 1.00 0.00 O ATOM 1092 ND2 ASN A 66 -4.921 -0.963 -8.043 1.00 0.00 N ATOM 0 H ASN A 66 -1.140 -3.109 -8.652 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.709 -0.681 -9.318 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.100 -2.097 -6.701 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.574 -0.410 -6.730 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.911 -1.191 -8.131 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.551 -0.120 -8.482 1.00 0.00 H new ATOM 1099 N ARG A 67 -0.892 0.960 -8.771 1.00 0.00 N ATOM 1100 CA ARG A 67 0.238 1.886 -8.711 1.00 0.00 C ATOM 1101 C ARG A 67 -0.194 3.253 -8.178 1.00 0.00 C ATOM 1102 O ARG A 67 -1.343 3.663 -8.355 1.00 0.00 O ATOM 1103 CB ARG A 67 0.873 2.047 -10.098 1.00 0.00 C ATOM 1104 CG ARG A 67 -0.135 2.263 -11.220 1.00 0.00 C ATOM 1105 CD ARG A 67 -0.763 0.951 -11.670 1.00 0.00 C ATOM 1106 NE ARG A 67 -0.681 0.766 -13.117 1.00 0.00 N ATOM 1107 CZ ARG A 67 0.403 0.307 -13.751 1.00 0.00 C ATOM 1108 NH1 ARG A 67 1.512 0.020 -13.073 1.00 0.00 N ATOM 1109 NH2 ARG A 67 0.378 0.142 -15.068 1.00 0.00 N ATOM 0 H ARG A 67 -1.785 1.402 -8.987 1.00 0.00 H new ATOM 0 HA ARG A 67 0.974 1.466 -8.026 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.562 2.891 -10.075 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.464 1.159 -10.321 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.916 2.944 -10.882 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.359 2.740 -12.067 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.263 0.121 -11.171 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.808 0.926 -11.361 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.500 1.001 -13.677 1.00 0.00 H new ATOM 0 HH11 ARG A 67 1.539 0.150 -12.062 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.334 -0.330 -13.565 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.467 0.365 -15.594 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.204 -0.208 -15.554 1.00 0.00 H new ATOM 1123 N THR A 68 0.737 3.948 -7.524 1.00 0.00 N ATOM 1124 CA THR A 68 0.464 5.268 -6.963 1.00 0.00 C ATOM 1125 C THR A 68 1.577 6.251 -7.320 1.00 0.00 C ATOM 1126 O THR A 68 2.725 6.081 -6.904 1.00 0.00 O ATOM 1127 CB THR A 68 0.319 5.192 -5.439 1.00 0.00 C ATOM 1128 OG1 THR A 68 -0.151 3.920 -5.029 1.00 0.00 O ATOM 1129 CG2 THR A 68 -0.627 6.231 -4.877 1.00 0.00 C ATOM 0 H THR A 68 1.689 3.616 -7.370 1.00 0.00 H new ATOM 0 HA THR A 68 -0.473 5.622 -7.392 1.00 0.00 H new ATOM 0 HB THR A 68 1.320 5.380 -5.052 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.573 3.264 -5.105 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.685 6.123 -3.794 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.261 7.228 -5.123 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.618 6.092 -5.309 1.00 0.00 H new ATOM 1137 N PHE A 69 1.227 7.277 -8.093 1.00 0.00 N ATOM 1138 CA PHE A 69 2.194 8.294 -8.509 1.00 0.00 C ATOM 1139 C PHE A 69 1.487 9.604 -8.871 1.00 0.00 C ATOM 1140 O PHE A 69 1.887 10.679 -8.422 1.00 0.00 O ATOM 1141 CB PHE A 69 3.039 7.791 -9.690 1.00 0.00 C ATOM 1142 CG PHE A 69 2.239 7.380 -10.899 1.00 0.00 C ATOM 1143 CD1 PHE A 69 1.386 6.286 -10.849 1.00 0.00 C ATOM 1144 CD2 PHE A 69 2.338 8.091 -12.083 1.00 0.00 C ATOM 1145 CE1 PHE A 69 0.653 5.911 -11.958 1.00 0.00 C ATOM 1146 CE2 PHE A 69 1.608 7.720 -13.195 1.00 0.00 C ATOM 1147 CZ PHE A 69 0.763 6.631 -13.132 1.00 0.00 C ATOM 0 H PHE A 69 0.281 7.427 -8.445 1.00 0.00 H new ATOM 0 HA PHE A 69 2.861 8.489 -7.669 1.00 0.00 H new ATOM 0 HB2 PHE A 69 3.737 8.576 -9.981 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.635 6.941 -9.358 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.294 5.722 -9.933 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.995 8.947 -12.138 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -0.005 5.056 -11.907 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.698 8.282 -14.113 1.00 0.00 H new ATOM 0 HZ PHE A 69 0.188 6.342 -13.999 1.00 0.00 H new ATOM 1157 N THR A 70 0.427 9.501 -9.676 1.00 0.00 N ATOM 1158 CA THR A 70 -0.349 10.667 -10.094 1.00 0.00 C ATOM 1159 C THR A 70 -1.848 10.439 -9.851 1.00 0.00 C ATOM 1160 O THR A 70 -2.697 10.984 -10.561 1.00 0.00 O ATOM 1161 CB THR A 70 -0.078 10.977 -11.574 1.00 0.00 C ATOM 1162 OG1 THR A 70 -0.640 12.225 -11.941 1.00 0.00 O ATOM 1163 CG2 THR A 70 -0.620 9.929 -12.527 1.00 0.00 C ATOM 0 H THR A 70 0.086 8.616 -10.052 1.00 0.00 H new ATOM 0 HA THR A 70 -0.039 11.524 -9.496 1.00 0.00 H new ATOM 0 HB THR A 70 1.008 10.991 -11.663 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.556 12.285 -11.597 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.390 10.217 -13.553 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.159 8.966 -12.309 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.700 9.851 -12.405 1.00 0.00 H new ATOM 1171 N ASP A 71 -2.164 9.625 -8.840 1.00 0.00 N ATOM 1172 CA ASP A 71 -3.551 9.319 -8.499 1.00 0.00 C ATOM 1173 C ASP A 71 -3.742 9.244 -6.982 1.00 0.00 C ATOM 1174 O ASP A 71 -2.781 9.046 -6.238 1.00 0.00 O ATOM 1175 CB ASP A 71 -3.968 7.991 -9.139 1.00 0.00 C ATOM 1176 CG ASP A 71 -4.330 8.146 -10.603 1.00 0.00 C ATOM 1177 OD1 ASP A 71 -5.494 8.495 -10.894 1.00 0.00 O ATOM 1178 OD2 ASP A 71 -3.448 7.918 -11.458 1.00 0.00 O ATOM 0 H ASP A 71 -1.475 9.167 -8.244 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.179 10.122 -8.885 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.154 7.272 -9.042 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.821 7.581 -8.598 1.00 0.00 H new ATOM 1183 N PRO A 72 -4.996 9.402 -6.508 1.00 0.00 N ATOM 1184 CA PRO A 72 -5.321 9.351 -5.073 1.00 0.00 C ATOM 1185 C PRO A 72 -5.124 7.955 -4.478 1.00 0.00 C ATOM 1186 O PRO A 72 -4.846 6.997 -5.203 1.00 0.00 O ATOM 1187 CB PRO A 72 -6.803 9.746 -5.031 1.00 0.00 C ATOM 1188 CG PRO A 72 -7.328 9.403 -6.382 1.00 0.00 C ATOM 1189 CD PRO A 72 -6.193 9.642 -7.336 1.00 0.00 C ATOM 0 HA PRO A 72 -4.673 10.003 -4.486 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.335 9.202 -4.250 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.923 10.808 -4.818 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.659 8.365 -6.421 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.189 10.022 -6.636 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.235 8.964 -8.188 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.209 10.656 -7.734 1.00 0.00 H new ATOM 1197 N PRO A 73 -5.269 7.818 -3.141 1.00 0.00 N ATOM 1198 CA PRO A 73 -5.107 6.526 -2.448 1.00 0.00 C ATOM 1199 C PRO A 73 -6.091 5.464 -2.942 1.00 0.00 C ATOM 1200 O PRO A 73 -6.900 5.726 -3.837 1.00 0.00 O ATOM 1201 CB PRO A 73 -5.378 6.867 -0.976 1.00 0.00 C ATOM 1202 CG PRO A 73 -6.119 8.159 -1.005 1.00 0.00 C ATOM 1203 CD PRO A 73 -5.605 8.903 -2.202 1.00 0.00 C ATOM 0 HA PRO A 73 -4.120 6.097 -2.624 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.966 6.087 -0.493 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.448 6.959 -0.415 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.193 7.991 -1.082 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.949 8.727 -0.090 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.357 9.576 -2.614 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.734 9.510 -1.957 1.00 0.00 H new ATOM 1211 N PHE A 74 -6.022 4.267 -2.356 1.00 0.00 N ATOM 1212 CA PHE A 74 -6.903 3.172 -2.744 1.00 0.00 C ATOM 1213 C PHE A 74 -7.299 2.342 -1.532 1.00 0.00 C ATOM 1214 O PHE A 74 -6.610 2.349 -0.510 1.00 0.00 O ATOM 1215 CB PHE A 74 -6.219 2.280 -3.781 1.00 0.00 C ATOM 1216 CG PHE A 74 -6.724 2.493 -5.179 1.00 0.00 C ATOM 1217 CD1 PHE A 74 -8.076 2.379 -5.468 1.00 0.00 C ATOM 1218 CD2 PHE A 74 -5.849 2.814 -6.205 1.00 0.00 C ATOM 1219 CE1 PHE A 74 -8.544 2.580 -6.751 1.00 0.00 C ATOM 1220 CE2 PHE A 74 -6.311 3.016 -7.490 1.00 0.00 C ATOM 1221 CZ PHE A 74 -7.661 2.899 -7.764 1.00 0.00 C ATOM 0 H PHE A 74 -5.364 4.035 -1.612 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.804 3.602 -3.182 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.145 2.467 -3.758 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -6.367 1.236 -3.505 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.771 2.130 -4.680 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.793 2.907 -5.997 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -9.599 2.488 -6.962 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.619 3.265 -8.280 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.025 3.057 -8.769 1.00 0.00 H new ATOM 1231 N ARG A 75 -8.416 1.632 -1.653 1.00 0.00 N ATOM 1232 CA ARG A 75 -8.914 0.797 -0.573 1.00 0.00 C ATOM 1233 C ARG A 75 -10.122 -0.025 -1.034 1.00 0.00 C ATOM 1234 O ARG A 75 -11.274 0.343 -0.794 1.00 0.00 O ATOM 1235 CB ARG A 75 -9.266 1.671 0.637 1.00 0.00 C ATOM 1236 CG ARG A 75 -10.297 2.751 0.347 1.00 0.00 C ATOM 1237 CD ARG A 75 -9.661 4.132 0.275 1.00 0.00 C ATOM 1238 NE ARG A 75 -9.930 4.794 -1.001 1.00 0.00 N ATOM 1239 CZ ARG A 75 -11.090 5.382 -1.306 1.00 0.00 C ATOM 1240 NH1 ARG A 75 -12.098 5.382 -0.436 1.00 0.00 N ATOM 1241 NH2 ARG A 75 -11.246 5.965 -2.490 1.00 0.00 N ATOM 0 H ARG A 75 -8.994 1.620 -2.494 1.00 0.00 H new ATOM 0 HA ARG A 75 -8.134 0.095 -0.278 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.641 1.032 1.436 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -8.356 2.143 1.007 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.798 2.532 -0.596 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.061 2.742 1.124 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.040 4.748 1.090 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.584 4.043 0.417 1.00 0.00 H new ATOM 0 HE ARG A 75 -9.187 4.808 -1.700 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.988 4.931 0.472 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.980 5.834 -0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.481 5.963 -3.164 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -12.131 6.414 -2.725 1.00 0.00 H new ATOM 1255 N ILE A 76 -9.841 -1.139 -1.708 1.00 0.00 N ATOM 1256 CA ILE A 76 -10.888 -2.019 -2.218 1.00 0.00 C ATOM 1257 C ILE A 76 -11.095 -3.221 -1.298 1.00 0.00 C ATOM 1258 O ILE A 76 -10.161 -3.985 -1.040 1.00 0.00 O ATOM 1259 CB ILE A 76 -10.560 -2.533 -3.637 1.00 0.00 C ATOM 1260 CG1 ILE A 76 -10.121 -1.381 -4.550 1.00 0.00 C ATOM 1261 CG2 ILE A 76 -11.761 -3.259 -4.228 1.00 0.00 C ATOM 1262 CD1 ILE A 76 -8.659 -1.440 -4.935 1.00 0.00 C ATOM 0 H ILE A 76 -8.893 -1.453 -1.914 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.801 -1.425 -2.256 1.00 0.00 H new ATOM 0 HB ILE A 76 -9.731 -3.237 -3.562 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -10.728 -1.394 -5.455 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.318 -0.434 -4.047 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -11.515 -3.615 -5.228 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.022 -4.107 -3.595 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -12.608 -2.575 -4.285 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.418 -0.595 -5.581 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.044 -1.396 -4.036 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.460 -2.371 -5.466 1.00 0.00 H new ATOM 1274 N GLU A 77 -12.326 -3.386 -0.817 1.00 0.00 N ATOM 1275 CA GLU A 77 -12.666 -4.499 0.066 1.00 0.00 C ATOM 1276 C GLU A 77 -13.926 -5.208 -0.428 1.00 0.00 C ATOM 1277 O GLU A 77 -15.010 -4.622 -0.461 1.00 0.00 O ATOM 1278 CB GLU A 77 -12.862 -4.005 1.504 1.00 0.00 C ATOM 1279 CG GLU A 77 -13.912 -2.913 1.648 1.00 0.00 C ATOM 1280 CD GLU A 77 -15.184 -3.397 2.323 1.00 0.00 C ATOM 1281 OE1 GLU A 77 -15.084 -4.092 3.357 1.00 0.00 O ATOM 1282 OE2 GLU A 77 -16.281 -3.077 1.819 1.00 0.00 O ATOM 0 H GLU A 77 -13.105 -2.762 -1.025 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.840 -5.210 0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.144 -4.850 2.132 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -11.910 -3.631 1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.493 -2.088 2.224 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.158 -2.521 0.661 1.00 0.00 H new ATOM 1289 N GLU A 78 -13.773 -6.470 -0.822 1.00 0.00 N ATOM 1290 CA GLU A 78 -14.892 -7.259 -1.327 1.00 0.00 C ATOM 1291 C GLU A 78 -14.836 -8.691 -0.799 1.00 0.00 C ATOM 1292 O GLU A 78 -13.870 -9.083 -0.139 1.00 0.00 O ATOM 1293 CB GLU A 78 -14.874 -7.270 -2.856 1.00 0.00 C ATOM 1294 CG GLU A 78 -15.673 -6.143 -3.491 1.00 0.00 C ATOM 1295 CD GLU A 78 -15.386 -5.991 -4.973 1.00 0.00 C ATOM 1296 OE1 GLU A 78 -14.209 -5.779 -5.333 1.00 0.00 O ATOM 1297 OE2 GLU A 78 -16.340 -6.089 -5.774 1.00 0.00 O ATOM 0 H GLU A 78 -12.883 -6.968 -0.801 1.00 0.00 H new ATOM 0 HA GLU A 78 -15.817 -6.800 -0.977 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.841 -7.207 -3.198 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.268 -8.224 -3.207 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.737 -6.331 -3.348 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.443 -5.207 -2.982 1.00 0.00 H new ATOM 1304 N GLN A 79 -15.873 -9.473 -1.099 1.00 0.00 N ATOM 1305 CA GLN A 79 -15.935 -10.865 -0.661 1.00 0.00 C ATOM 1306 C GLN A 79 -16.300 -11.787 -1.821 1.00 0.00 C ATOM 1307 O GLN A 79 -17.321 -11.598 -2.484 1.00 0.00 O ATOM 1308 CB GLN A 79 -16.941 -11.034 0.484 1.00 0.00 C ATOM 1309 CG GLN A 79 -18.367 -10.638 0.122 1.00 0.00 C ATOM 1310 CD GLN A 79 -19.262 -11.839 -0.127 1.00 0.00 C ATOM 1311 OE1 GLN A 79 -19.833 -11.987 -1.206 1.00 0.00 O ATOM 1312 NE2 GLN A 79 -19.388 -12.705 0.874 1.00 0.00 N ATOM 0 H GLN A 79 -16.680 -9.166 -1.643 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.945 -11.142 -0.297 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -16.935 -12.075 0.808 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -16.613 -10.434 1.333 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -18.788 -10.036 0.927 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -18.351 -10.011 -0.769 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -18.896 -12.544 1.753 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -19.976 -13.531 0.763 1.00 0.00 H new ATOM 1321 N GLY A 80 -15.453 -12.784 -2.058 1.00 0.00 N ATOM 1322 CA GLY A 80 -15.689 -13.730 -3.132 1.00 0.00 C ATOM 1323 C GLY A 80 -14.562 -14.736 -3.265 1.00 0.00 C ATOM 1324 O GLY A 80 -13.824 -14.982 -2.310 1.00 0.00 O ATOM 0 H GLY A 80 -14.602 -12.954 -1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -16.625 -14.257 -2.950 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -15.805 -13.190 -4.072 1.00 0.00 H new ATOM 1328 N TRP A 81 -14.428 -15.322 -4.450 1.00 0.00 N ATOM 1329 CA TRP A 81 -13.381 -16.309 -4.703 1.00 0.00 C ATOM 1330 C TRP A 81 -12.052 -15.627 -5.045 1.00 0.00 C ATOM 1331 O TRP A 81 -11.941 -14.928 -6.053 1.00 0.00 O ATOM 1332 CB TRP A 81 -13.802 -17.266 -5.829 1.00 0.00 C ATOM 1333 CG TRP A 81 -13.938 -16.609 -7.173 1.00 0.00 C ATOM 1334 CD1 TRP A 81 -14.890 -15.708 -7.559 1.00 0.00 C ATOM 1335 CD2 TRP A 81 -13.088 -16.806 -8.309 1.00 0.00 C ATOM 1336 NE1 TRP A 81 -14.682 -15.332 -8.864 1.00 0.00 N ATOM 1337 CE2 TRP A 81 -13.582 -15.992 -9.347 1.00 0.00 C ATOM 1338 CE3 TRP A 81 -11.953 -17.588 -8.547 1.00 0.00 C ATOM 1339 CZ2 TRP A 81 -12.982 -15.944 -10.604 1.00 0.00 C ATOM 1340 CZ3 TRP A 81 -11.360 -17.538 -9.794 1.00 0.00 C ATOM 1341 CH2 TRP A 81 -11.874 -16.721 -10.809 1.00 0.00 C ATOM 0 H TRP A 81 -15.030 -15.132 -5.251 1.00 0.00 H new ATOM 0 HA TRP A 81 -13.237 -16.889 -3.791 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -13.069 -18.069 -5.902 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -14.754 -17.726 -5.563 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -15.689 -15.345 -6.930 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -15.253 -14.669 -9.388 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -11.548 -18.219 -7.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -13.377 -15.316 -11.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -10.485 -18.140 -9.990 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -11.386 -16.704 -11.772 1.00 0.00 H new ATOM 1352 N GLY A 82 -11.048 -15.833 -4.193 1.00 0.00 N ATOM 1353 CA GLY A 82 -9.744 -15.233 -4.418 1.00 0.00 C ATOM 1354 C GLY A 82 -8.673 -15.797 -3.502 1.00 0.00 C ATOM 1355 O GLY A 82 -8.429 -17.005 -3.497 1.00 0.00 O ATOM 0 H GLY A 82 -11.116 -16.405 -3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -9.450 -15.392 -5.455 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.814 -14.156 -4.268 1.00 0.00 H new ATOM 1359 N GLY A 83 -8.040 -14.922 -2.722 1.00 0.00 N ATOM 1360 CA GLY A 83 -7.000 -15.356 -1.803 1.00 0.00 C ATOM 1361 C GLY A 83 -5.718 -15.765 -2.509 1.00 0.00 C ATOM 1362 O GLY A 83 -5.629 -16.866 -3.054 1.00 0.00 O ATOM 0 H GLY A 83 -8.229 -13.920 -2.710 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.782 -14.550 -1.103 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.369 -16.197 -1.216 1.00 0.00 H new ATOM 1366 N PHE A 84 -4.720 -14.880 -2.493 1.00 0.00 N ATOM 1367 CA PHE A 84 -3.432 -15.157 -3.131 1.00 0.00 C ATOM 1368 C PHE A 84 -2.350 -14.197 -2.622 1.00 0.00 C ATOM 1369 O PHE A 84 -2.647 -13.239 -1.906 1.00 0.00 O ATOM 1370 CB PHE A 84 -3.561 -15.043 -4.652 1.00 0.00 C ATOM 1371 CG PHE A 84 -3.881 -16.343 -5.345 1.00 0.00 C ATOM 1372 CD1 PHE A 84 -3.187 -17.507 -5.043 1.00 0.00 C ATOM 1373 CD2 PHE A 84 -4.878 -16.396 -6.307 1.00 0.00 C ATOM 1374 CE1 PHE A 84 -3.483 -18.695 -5.687 1.00 0.00 C ATOM 1375 CE2 PHE A 84 -5.179 -17.581 -6.951 1.00 0.00 C ATOM 1376 CZ PHE A 84 -4.481 -18.731 -6.642 1.00 0.00 C ATOM 0 H PHE A 84 -4.779 -13.965 -2.045 1.00 0.00 H new ATOM 0 HA PHE A 84 -3.136 -16.174 -2.873 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.341 -14.318 -4.886 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -2.628 -14.649 -5.056 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.407 -17.485 -4.296 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -5.426 -15.500 -6.556 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.935 -19.593 -5.444 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -5.960 -17.607 -7.696 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.714 -19.657 -7.146 1.00 0.00 H new ATOM 1386 N PRO A 85 -1.072 -14.454 -2.984 1.00 0.00 N ATOM 1387 CA PRO A 85 0.064 -13.620 -2.563 1.00 0.00 C ATOM 1388 C PRO A 85 -0.139 -12.130 -2.855 1.00 0.00 C ATOM 1389 O PRO A 85 -1.042 -11.746 -3.600 1.00 0.00 O ATOM 1390 CB PRO A 85 1.231 -14.171 -3.391 1.00 0.00 C ATOM 1391 CG PRO A 85 0.858 -15.584 -3.669 1.00 0.00 C ATOM 1392 CD PRO A 85 -0.638 -15.588 -3.823 1.00 0.00 C ATOM 0 HA PRO A 85 0.216 -13.669 -1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.364 -13.607 -4.314 1.00 0.00 H new ATOM 0 HB3 PRO A 85 2.171 -14.109 -2.842 1.00 0.00 H new ATOM 0 HG2 PRO A 85 1.346 -15.947 -4.574 1.00 0.00 H new ATOM 0 HG3 PRO A 85 1.169 -16.238 -2.855 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.935 -15.455 -4.863 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.074 -16.528 -3.485 1.00 0.00 H new ATOM 1400 N LEU A 86 0.715 -11.302 -2.254 1.00 0.00 N ATOM 1401 CA LEU A 86 0.659 -9.853 -2.420 1.00 0.00 C ATOM 1402 C LEU A 86 2.068 -9.267 -2.462 1.00 0.00 C ATOM 1403 O LEU A 86 3.045 -9.960 -2.168 1.00 0.00 O ATOM 1404 CB LEU A 86 -0.123 -9.208 -1.268 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.528 -9.763 -1.027 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -1.475 -10.958 -0.092 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -2.437 -8.685 -0.456 1.00 0.00 C ATOM 0 H LEU A 86 1.464 -11.618 -1.639 1.00 0.00 H new ATOM 0 HA LEU A 86 0.151 -9.641 -3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.455 -9.323 -0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.203 -8.138 -1.462 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.936 -10.089 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.483 -11.340 0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.857 -11.739 -0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.046 -10.654 0.863 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.432 -9.098 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.030 -8.330 0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.501 -7.854 -1.158 1.00 0.00 H new ATOM 1419 N ASP A 87 2.166 -7.991 -2.819 1.00 0.00 N ATOM 1420 CA ASP A 87 3.458 -7.316 -2.891 1.00 0.00 C ATOM 1421 C ASP A 87 3.291 -5.798 -2.844 1.00 0.00 C ATOM 1422 O ASP A 87 2.388 -5.247 -3.472 1.00 0.00 O ATOM 1423 CB ASP A 87 4.193 -7.729 -4.167 1.00 0.00 C ATOM 1424 CG ASP A 87 5.666 -7.366 -4.136 1.00 0.00 C ATOM 1425 OD1 ASP A 87 5.996 -6.198 -4.433 1.00 0.00 O ATOM 1426 OD2 ASP A 87 6.488 -8.248 -3.812 1.00 0.00 O ATOM 0 H ASP A 87 1.368 -7.404 -3.063 1.00 0.00 H new ATOM 0 HA ASP A 87 4.048 -7.616 -2.025 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.091 -8.805 -4.309 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.722 -7.248 -5.025 1.00 0.00 H new ATOM 1431 N ILE A 88 4.168 -5.127 -2.102 1.00 0.00 N ATOM 1432 CA ILE A 88 4.113 -3.672 -1.985 1.00 0.00 C ATOM 1433 C ILE A 88 5.508 -3.060 -2.092 1.00 0.00 C ATOM 1434 O ILE A 88 6.430 -3.469 -1.387 1.00 0.00 O ATOM 1435 CB ILE A 88 3.455 -3.232 -0.658 1.00 0.00 C ATOM 1436 CG1 ILE A 88 3.301 -1.707 -0.619 1.00 0.00 C ATOM 1437 CG2 ILE A 88 4.260 -3.726 0.539 1.00 0.00 C ATOM 1438 CD1 ILE A 88 2.168 -1.191 -1.480 1.00 0.00 C ATOM 0 H ILE A 88 4.923 -5.565 -1.574 1.00 0.00 H new ATOM 0 HA ILE A 88 3.501 -3.310 -2.811 1.00 0.00 H new ATOM 0 HB ILE A 88 2.463 -3.680 -0.602 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.135 -1.393 0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.234 -1.247 -0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.776 -3.403 1.461 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.312 -4.815 0.518 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.268 -3.314 0.495 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.118 -0.105 -1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.342 -1.474 -2.518 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.227 -1.622 -1.139 1.00 0.00 H new ATOM 1450 N SER A 89 5.654 -2.080 -2.980 1.00 0.00 N ATOM 1451 CA SER A 89 6.935 -1.411 -3.184 1.00 0.00 C ATOM 1452 C SER A 89 6.783 0.101 -3.062 1.00 0.00 C ATOM 1453 O SER A 89 6.083 0.731 -3.855 1.00 0.00 O ATOM 1454 CB SER A 89 7.509 -1.778 -4.554 1.00 0.00 C ATOM 1455 OG SER A 89 6.595 -1.466 -5.594 1.00 0.00 O ATOM 0 H SER A 89 4.899 -1.731 -3.571 1.00 0.00 H new ATOM 0 HA SER A 89 7.625 -1.747 -2.410 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.444 -1.241 -4.715 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.744 -2.842 -4.580 1.00 0.00 H new ATOM 0 HG SER A 89 6.050 -0.695 -5.330 1.00 0.00 H new ATOM 1461 N VAL A 90 7.442 0.677 -2.058 1.00 0.00 N ATOM 1462 CA VAL A 90 7.379 2.115 -1.822 1.00 0.00 C ATOM 1463 C VAL A 90 8.661 2.805 -2.280 1.00 0.00 C ATOM 1464 O VAL A 90 9.751 2.490 -1.800 1.00 0.00 O ATOM 1465 CB VAL A 90 7.138 2.431 -0.329 1.00 0.00 C ATOM 1466 CG1 VAL A 90 6.880 3.918 -0.128 1.00 0.00 C ATOM 1467 CG2 VAL A 90 5.981 1.603 0.216 1.00 0.00 C ATOM 0 H VAL A 90 8.026 0.167 -1.395 1.00 0.00 H new ATOM 0 HA VAL A 90 6.540 2.495 -2.404 1.00 0.00 H new ATOM 0 HB VAL A 90 8.038 2.165 0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.713 4.118 0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.743 4.487 -0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.999 4.215 -0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.828 1.841 1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.074 1.832 -0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 90 6.212 0.543 0.113 1.00 0.00 H new ATOM 1477 N PHE A 91 8.519 3.748 -3.211 1.00 0.00 N ATOM 1478 CA PHE A 91 9.662 4.492 -3.738 1.00 0.00 C ATOM 1479 C PHE A 91 9.433 5.996 -3.611 1.00 0.00 C ATOM 1480 O PHE A 91 8.291 6.461 -3.544 1.00 0.00 O ATOM 1481 CB PHE A 91 9.916 4.128 -5.206 1.00 0.00 C ATOM 1482 CG PHE A 91 10.637 2.822 -5.394 1.00 0.00 C ATOM 1483 CD1 PHE A 91 10.057 1.627 -4.991 1.00 0.00 C ATOM 1484 CD2 PHE A 91 11.894 2.788 -5.977 1.00 0.00 C ATOM 1485 CE1 PHE A 91 10.719 0.427 -5.164 1.00 0.00 C ATOM 1486 CE2 PHE A 91 12.560 1.590 -6.153 1.00 0.00 C ATOM 1487 CZ PHE A 91 11.971 0.408 -5.745 1.00 0.00 C ATOM 0 H PHE A 91 7.622 4.015 -3.616 1.00 0.00 H new ATOM 0 HA PHE A 91 10.538 4.219 -3.150 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.961 4.083 -5.729 1.00 0.00 H new ATOM 0 HB3 PHE A 91 10.498 4.923 -5.672 1.00 0.00 H new ATOM 0 HD1 PHE A 91 9.077 1.636 -4.537 1.00 0.00 H new ATOM 0 HD2 PHE A 91 12.359 3.709 -6.298 1.00 0.00 H new ATOM 0 HE1 PHE A 91 10.257 -0.496 -4.845 1.00 0.00 H new ATOM 0 HE2 PHE A 91 13.539 1.577 -6.609 1.00 0.00 H new ATOM 0 HZ PHE A 91 12.490 -0.529 -5.881 1.00 0.00 H new ATOM 1497 N LEU A 92 10.528 6.752 -3.578 1.00 0.00 N ATOM 1498 CA LEU A 92 10.464 8.206 -3.458 1.00 0.00 C ATOM 1499 C LEU A 92 11.602 8.861 -4.245 1.00 0.00 C ATOM 1500 O LEU A 92 12.264 8.205 -5.051 1.00 0.00 O ATOM 1501 CB LEU A 92 10.535 8.617 -1.981 1.00 0.00 C ATOM 1502 CG LEU A 92 11.806 8.182 -1.246 1.00 0.00 C ATOM 1503 CD1 LEU A 92 12.200 9.209 -0.194 1.00 0.00 C ATOM 1504 CD2 LEU A 92 11.611 6.813 -0.615 1.00 0.00 C ATOM 0 H LEU A 92 11.476 6.379 -3.633 1.00 0.00 H new ATOM 0 HA LEU A 92 9.516 8.547 -3.874 1.00 0.00 H new ATOM 0 HB2 LEU A 92 10.450 9.702 -1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.673 8.199 -1.462 1.00 0.00 H new ATOM 0 HG LEU A 92 12.616 8.115 -1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.105 8.879 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.384 10.170 -0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.393 9.314 0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.523 6.518 -0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.786 6.854 0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.383 6.083 -1.392 1.00 0.00 H new ATOM 1516 N LEU A 93 11.831 10.152 -4.003 1.00 0.00 N ATOM 1517 CA LEU A 93 12.898 10.881 -4.688 1.00 0.00 C ATOM 1518 C LEU A 93 14.200 10.842 -3.880 1.00 0.00 C ATOM 1519 O LEU A 93 14.978 11.797 -3.885 1.00 0.00 O ATOM 1520 CB LEU A 93 12.480 12.333 -4.957 1.00 0.00 C ATOM 1521 CG LEU A 93 11.899 13.094 -3.762 1.00 0.00 C ATOM 1522 CD1 LEU A 93 12.952 14.000 -3.141 1.00 0.00 C ATOM 1523 CD2 LEU A 93 10.682 13.900 -4.198 1.00 0.00 C ATOM 0 H LEU A 93 11.294 10.712 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 93 13.076 10.389 -5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 93 13.349 12.879 -5.323 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.741 12.336 -5.759 1.00 0.00 H new ATOM 0 HG LEU A 93 11.586 12.374 -3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.520 14.532 -2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.795 13.398 -2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.297 14.719 -3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.276 14.438 -3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.975 14.613 -4.968 1.00 0.00 H new ATOM 0 HD23 LEU A 93 9.923 13.227 -4.597 1.00 0.00 H new ATOM 1535 N GLU A 94 14.429 9.719 -3.196 1.00 0.00 N ATOM 1536 CA GLU A 94 15.627 9.529 -2.386 1.00 0.00 C ATOM 1537 C GLU A 94 15.791 8.054 -2.018 1.00 0.00 C ATOM 1538 O GLU A 94 14.825 7.290 -2.045 1.00 0.00 O ATOM 1539 CB GLU A 94 15.551 10.377 -1.110 1.00 0.00 C ATOM 1540 CG GLU A 94 16.736 11.312 -0.930 1.00 0.00 C ATOM 1541 CD GLU A 94 18.020 10.571 -0.613 1.00 0.00 C ATOM 1542 OE1 GLU A 94 18.231 10.227 0.568 1.00 0.00 O ATOM 1543 OE2 GLU A 94 18.809 10.327 -1.550 1.00 0.00 O ATOM 0 H GLU A 94 13.792 8.922 -3.190 1.00 0.00 H new ATOM 0 HA GLU A 94 16.490 9.847 -2.971 1.00 0.00 H new ATOM 0 HB2 GLU A 94 14.634 10.966 -1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.487 9.715 -0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 94 16.874 11.897 -1.839 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.520 12.016 -0.127 1.00 0.00 H new ATOM 1550 N LYS A 95 17.015 7.660 -1.668 1.00 0.00 N ATOM 1551 CA LYS A 95 17.295 6.276 -1.289 1.00 0.00 C ATOM 1552 C LYS A 95 17.218 6.103 0.229 1.00 0.00 C ATOM 1553 O LYS A 95 18.104 5.512 0.847 1.00 0.00 O ATOM 1554 CB LYS A 95 18.679 5.852 -1.795 1.00 0.00 C ATOM 1555 CG LYS A 95 18.751 5.673 -3.302 1.00 0.00 C ATOM 1556 CD LYS A 95 19.053 6.988 -4.005 1.00 0.00 C ATOM 1557 CE LYS A 95 18.253 7.129 -5.290 1.00 0.00 C ATOM 1558 NZ LYS A 95 19.097 6.907 -6.496 1.00 0.00 N ATOM 0 H LYS A 95 17.826 8.278 -1.639 1.00 0.00 H new ATOM 0 HA LYS A 95 16.540 5.639 -1.750 1.00 0.00 H new ATOM 0 HB2 LYS A 95 19.412 6.600 -1.492 1.00 0.00 H new ATOM 0 HB3 LYS A 95 18.961 4.916 -1.313 1.00 0.00 H new ATOM 0 HG2 LYS A 95 19.522 4.943 -3.546 1.00 0.00 H new ATOM 0 HG3 LYS A 95 17.806 5.272 -3.668 1.00 0.00 H new ATOM 0 HD2 LYS A 95 18.823 7.819 -3.339 1.00 0.00 H new ATOM 0 HD3 LYS A 95 20.118 7.045 -4.230 1.00 0.00 H new ATOM 0 HE2 LYS A 95 17.430 6.414 -5.286 1.00 0.00 H new ATOM 0 HE3 LYS A 95 17.810 8.124 -5.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 18.515 7.012 -7.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 19.867 7.605 -6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 19.499 5.948 -6.467 1.00 0.00 H new ATOM 1572 N ALA A 96 16.147 6.629 0.826 1.00 0.00 N ATOM 1573 CA ALA A 96 15.950 6.539 2.271 1.00 0.00 C ATOM 1574 C ALA A 96 14.707 5.720 2.620 1.00 0.00 C ATOM 1575 O ALA A 96 14.704 4.978 3.605 1.00 0.00 O ATOM 1576 CB ALA A 96 15.849 7.932 2.877 1.00 0.00 C ATOM 0 H ALA A 96 15.404 7.121 0.330 1.00 0.00 H new ATOM 0 HA ALA A 96 16.815 6.027 2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 96 15.702 7.850 3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 96 16.768 8.483 2.677 1.00 0.00 H new ATOM 0 HB3 ALA A 96 15.005 8.461 2.435 1.00 0.00 H new ATOM 1582 N GLY A 97 13.651 5.863 1.816 1.00 0.00 N ATOM 1583 CA GLY A 97 12.418 5.137 2.067 1.00 0.00 C ATOM 1584 C GLY A 97 12.037 4.196 0.935 1.00 0.00 C ATOM 1585 O GLY A 97 10.850 3.950 0.704 1.00 0.00 O ATOM 0 H GLY A 97 13.630 6.469 0.996 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.522 4.564 2.988 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.609 5.851 2.226 1.00 0.00 H new ATOM 1589 N GLU A 98 13.036 3.664 0.234 1.00 0.00 N ATOM 1590 CA GLU A 98 12.795 2.740 -0.871 1.00 0.00 C ATOM 1591 C GLU A 98 12.822 1.297 -0.375 1.00 0.00 C ATOM 1592 O GLU A 98 13.884 0.677 -0.302 1.00 0.00 O ATOM 1593 CB GLU A 98 13.843 2.940 -1.970 1.00 0.00 C ATOM 1594 CG GLU A 98 13.408 3.902 -3.065 1.00 0.00 C ATOM 1595 CD GLU A 98 14.435 4.034 -4.175 1.00 0.00 C ATOM 1596 OE1 GLU A 98 15.024 3.003 -4.571 1.00 0.00 O ATOM 1597 OE2 GLU A 98 14.651 5.167 -4.651 1.00 0.00 O ATOM 0 H GLU A 98 14.021 3.858 0.412 1.00 0.00 H new ATOM 0 HA GLU A 98 11.808 2.947 -1.285 1.00 0.00 H new ATOM 0 HB2 GLU A 98 14.763 3.310 -1.518 1.00 0.00 H new ATOM 0 HB3 GLU A 98 14.074 1.974 -2.419 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.464 3.560 -3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.224 4.883 -2.628 1.00 0.00 H new ATOM 1604 N ARG A 99 11.649 0.766 -0.022 1.00 0.00 N ATOM 1605 CA ARG A 99 11.550 -0.604 0.476 1.00 0.00 C ATOM 1606 C ARG A 99 10.288 -1.302 -0.029 1.00 0.00 C ATOM 1607 O ARG A 99 9.281 -0.655 -0.320 1.00 0.00 O ATOM 1608 CB ARG A 99 11.566 -0.609 2.007 1.00 0.00 C ATOM 1609 CG ARG A 99 12.954 -0.774 2.601 1.00 0.00 C ATOM 1610 CD ARG A 99 13.437 -2.211 2.494 1.00 0.00 C ATOM 1611 NE ARG A 99 14.870 -2.291 2.213 1.00 0.00 N ATOM 1612 CZ ARG A 99 15.491 -3.399 1.806 1.00 0.00 C ATOM 1613 NH1 ARG A 99 14.814 -4.531 1.628 1.00 0.00 N ATOM 1614 NH2 ARG A 99 16.799 -3.378 1.575 1.00 0.00 N ATOM 0 H ARG A 99 10.760 1.263 -0.072 1.00 0.00 H new ATOM 0 HA ARG A 99 12.411 -1.154 0.097 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.134 0.324 2.369 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.928 -1.417 2.366 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.652 -0.115 2.086 1.00 0.00 H new ATOM 0 HG3 ARG A 99 12.942 -0.470 3.648 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.221 -2.736 3.425 1.00 0.00 H new ATOM 0 HD3 ARG A 99 12.884 -2.721 1.705 1.00 0.00 H new ATOM 0 HE ARG A 99 15.429 -1.447 2.336 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.809 -4.557 1.803 1.00 0.00 H new ATOM 0 HH12 ARG A 99 15.300 -5.372 1.316 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.327 -2.515 1.709 1.00 0.00 H new ATOM 0 HH22 ARG A 99 17.276 -4.224 1.264 1.00 0.00 H new ATOM 1628 N LYS A 100 10.356 -2.632 -0.118 1.00 0.00 N ATOM 1629 CA LYS A 100 9.229 -3.441 -0.574 1.00 0.00 C ATOM 1630 C LYS A 100 9.047 -4.670 0.318 1.00 0.00 C ATOM 1631 O LYS A 100 10.023 -5.220 0.829 1.00 0.00 O ATOM 1632 CB LYS A 100 9.431 -3.873 -2.033 1.00 0.00 C ATOM 1633 CG LYS A 100 10.803 -4.472 -2.318 1.00 0.00 C ATOM 1634 CD LYS A 100 11.826 -3.398 -2.659 1.00 0.00 C ATOM 1635 CE LYS A 100 11.912 -3.161 -4.159 1.00 0.00 C ATOM 1636 NZ LYS A 100 13.291 -2.794 -4.589 1.00 0.00 N ATOM 0 H LYS A 100 11.187 -3.173 0.122 1.00 0.00 H new ATOM 0 HA LYS A 100 8.328 -2.831 -0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.666 -4.604 -2.294 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.281 -3.009 -2.681 1.00 0.00 H new ATOM 0 HG2 LYS A 100 11.142 -5.035 -1.448 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.727 -5.178 -3.145 1.00 0.00 H new ATOM 0 HD2 LYS A 100 11.558 -2.468 -2.158 1.00 0.00 H new ATOM 0 HD3 LYS A 100 12.804 -3.694 -2.280 1.00 0.00 H new ATOM 0 HE2 LYS A 100 11.595 -4.061 -4.687 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.221 -2.366 -4.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 13.305 -2.641 -5.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 13.585 -1.921 -4.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 13.947 -3.563 -4.344 1.00 0.00 H new ATOM 1650 N ILE A 101 7.793 -5.091 0.506 1.00 0.00 N ATOM 1651 CA ILE A 101 7.487 -6.251 1.346 1.00 0.00 C ATOM 1652 C ILE A 101 6.349 -7.093 0.755 1.00 0.00 C ATOM 1653 O ILE A 101 5.245 -6.590 0.541 1.00 0.00 O ATOM 1654 CB ILE A 101 7.085 -5.827 2.778 1.00 0.00 C ATOM 1655 CG1 ILE A 101 8.091 -4.827 3.354 1.00 0.00 C ATOM 1656 CG2 ILE A 101 6.970 -7.049 3.683 1.00 0.00 C ATOM 1657 CD1 ILE A 101 7.826 -3.393 2.946 1.00 0.00 C ATOM 0 H ILE A 101 6.975 -4.647 0.089 1.00 0.00 H new ATOM 0 HA ILE A 101 8.399 -6.846 1.384 1.00 0.00 H new ATOM 0 HB ILE A 101 6.112 -5.339 2.727 1.00 0.00 H new ATOM 0 HG12 ILE A 101 8.075 -4.895 4.442 1.00 0.00 H new ATOM 0 HG13 ILE A 101 9.094 -5.108 3.032 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.686 -6.733 4.687 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.212 -7.725 3.287 1.00 0.00 H new ATOM 0 HG23 ILE A 101 7.930 -7.564 3.722 1.00 0.00 H new ATOM 0 HD11 ILE A 101 8.579 -2.743 3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.871 -3.309 1.860 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.837 -3.093 3.292 1.00 0.00 H new ATOM 1669 N PRO A 102 6.602 -8.393 0.495 1.00 0.00 N ATOM 1670 CA PRO A 102 5.598 -9.302 -0.057 1.00 0.00 C ATOM 1671 C PRO A 102 4.692 -9.895 1.025 1.00 0.00 C ATOM 1672 O PRO A 102 5.173 -10.422 2.032 1.00 0.00 O ATOM 1673 CB PRO A 102 6.453 -10.388 -0.702 1.00 0.00 C ATOM 1674 CG PRO A 102 7.672 -10.463 0.156 1.00 0.00 C ATOM 1675 CD PRO A 102 7.889 -9.081 0.725 1.00 0.00 C ATOM 0 HA PRO A 102 4.916 -8.804 -0.746 1.00 0.00 H new ATOM 0 HB2 PRO A 102 5.928 -11.343 -0.729 1.00 0.00 H new ATOM 0 HB3 PRO A 102 6.707 -10.134 -1.731 1.00 0.00 H new ATOM 0 HG2 PRO A 102 7.539 -11.193 0.954 1.00 0.00 H new ATOM 0 HG3 PRO A 102 8.536 -10.782 -0.427 1.00 0.00 H new ATOM 0 HD2 PRO A 102 8.136 -9.121 1.786 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.711 -8.568 0.225 1.00 0.00 H new ATOM 1683 N HIS A 103 3.381 -9.802 0.811 1.00 0.00 N ATOM 1684 CA HIS A 103 2.405 -10.323 1.766 1.00 0.00 C ATOM 1685 C HIS A 103 1.668 -11.536 1.200 1.00 0.00 C ATOM 1686 O HIS A 103 1.821 -11.873 0.028 1.00 0.00 O ATOM 1687 CB HIS A 103 1.393 -9.232 2.140 1.00 0.00 C ATOM 1688 CG HIS A 103 1.523 -8.745 3.552 1.00 0.00 C ATOM 1689 ND1 HIS A 103 1.940 -9.549 4.594 1.00 0.00 N ATOM 1690 CD2 HIS A 103 1.286 -7.525 4.093 1.00 0.00 C ATOM 1691 CE1 HIS A 103 1.955 -8.846 5.712 1.00 0.00 C ATOM 1692 NE2 HIS A 103 1.562 -7.617 5.435 1.00 0.00 N ATOM 0 H HIS A 103 2.970 -9.370 -0.016 1.00 0.00 H new ATOM 0 HA HIS A 103 2.947 -10.636 2.658 1.00 0.00 H new ATOM 0 HB2 HIS A 103 1.516 -8.388 1.462 1.00 0.00 H new ATOM 0 HB3 HIS A 103 0.385 -9.618 1.990 1.00 0.00 H new ATOM 0 HD2 HIS A 103 0.944 -6.646 3.567 1.00 0.00 H new ATOM 0 HE1 HIS A 103 2.240 -9.214 6.686 1.00 0.00 H new ATOM 0 HE2 HIS A 103 1.477 -6.857 6.110 1.00 0.00 H new ATOM 1701 N ASP A 104 0.867 -12.186 2.042 1.00 0.00 N ATOM 1702 CA ASP A 104 0.097 -13.354 1.620 1.00 0.00 C ATOM 1703 C ASP A 104 -1.342 -13.259 2.121 1.00 0.00 C ATOM 1704 O ASP A 104 -1.586 -12.847 3.256 1.00 0.00 O ATOM 1705 CB ASP A 104 0.746 -14.644 2.124 1.00 0.00 C ATOM 1706 CG ASP A 104 0.529 -15.805 1.173 1.00 0.00 C ATOM 1707 OD1 ASP A 104 1.144 -15.805 0.084 1.00 0.00 O ATOM 1708 OD2 ASP A 104 -0.260 -16.711 1.515 1.00 0.00 O ATOM 0 H ASP A 104 0.734 -11.924 3.019 1.00 0.00 H new ATOM 0 HA ASP A 104 0.087 -13.375 0.530 1.00 0.00 H new ATOM 0 HB2 ASP A 104 1.815 -14.482 2.258 1.00 0.00 H new ATOM 0 HB3 ASP A 104 0.336 -14.896 3.102 1.00 0.00 H new ATOM 1713 N LEU A 105 -2.292 -13.638 1.268 1.00 0.00 N ATOM 1714 CA LEU A 105 -3.706 -13.590 1.627 1.00 0.00 C ATOM 1715 C LEU A 105 -4.395 -14.916 1.309 1.00 0.00 C ATOM 1716 O LEU A 105 -4.999 -15.077 0.247 1.00 0.00 O ATOM 1717 CB LEU A 105 -4.394 -12.437 0.889 1.00 0.00 C ATOM 1718 CG LEU A 105 -5.817 -12.115 1.355 1.00 0.00 C ATOM 1719 CD1 LEU A 105 -5.930 -10.649 1.752 1.00 0.00 C ATOM 1720 CD2 LEU A 105 -6.828 -12.459 0.270 1.00 0.00 C ATOM 0 H LEU A 105 -2.108 -13.981 0.325 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.785 -13.420 2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.782 -11.541 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.423 -12.675 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.038 -12.725 2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -6.948 -10.438 2.080 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.235 -10.438 2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.688 -10.020 0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -7.833 -12.223 0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.611 -11.879 -0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.765 -13.522 0.038 1.00 0.00 H new ATOM 1732 N ASN A 106 -4.301 -15.868 2.236 1.00 0.00 N ATOM 1733 CA ASN A 106 -4.918 -17.183 2.052 1.00 0.00 C ATOM 1734 C ASN A 106 -5.178 -17.864 3.396 1.00 0.00 C ATOM 1735 O ASN A 106 -5.030 -19.080 3.528 1.00 0.00 O ATOM 1736 CB ASN A 106 -4.029 -18.071 1.175 1.00 0.00 C ATOM 1737 CG ASN A 106 -4.840 -18.887 0.187 1.00 0.00 C ATOM 1738 OD1 ASN A 106 -5.704 -18.216 -0.562 1.00 0.00 O flip ATOM 1739 ND2 ASN A 106 -4.689 -20.105 0.098 1.00 0.00 N flip ATOM 0 H ASN A 106 -3.805 -15.755 3.120 1.00 0.00 H new ATOM 0 HA ASN A 106 -5.876 -17.037 1.554 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -3.317 -17.449 0.633 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -3.448 -18.741 1.809 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -4.012 -20.580 0.695 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -5.241 -20.640 -0.573 1.00 0.00 H new ATOM 1746 N PHE A 107 -5.567 -17.068 4.388 1.00 0.00 N ATOM 1747 CA PHE A 107 -5.845 -17.586 5.722 1.00 0.00 C ATOM 1748 C PHE A 107 -7.042 -16.877 6.349 1.00 0.00 C ATOM 1749 O PHE A 107 -7.123 -15.647 6.338 1.00 0.00 O ATOM 1750 CB PHE A 107 -4.614 -17.429 6.619 1.00 0.00 C ATOM 1751 CG PHE A 107 -3.396 -18.145 6.097 1.00 0.00 C ATOM 1752 CD1 PHE A 107 -2.589 -17.560 5.131 1.00 0.00 C ATOM 1753 CD2 PHE A 107 -3.060 -19.404 6.569 1.00 0.00 C ATOM 1754 CE1 PHE A 107 -1.475 -18.217 4.646 1.00 0.00 C ATOM 1755 CE2 PHE A 107 -1.946 -20.065 6.088 1.00 0.00 C ATOM 1756 CZ PHE A 107 -1.152 -19.471 5.126 1.00 0.00 C ATOM 0 H PHE A 107 -5.697 -16.061 4.292 1.00 0.00 H new ATOM 0 HA PHE A 107 -6.086 -18.645 5.628 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -4.385 -16.369 6.726 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -4.849 -17.806 7.614 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.835 -16.578 4.754 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.676 -19.874 7.321 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.857 -17.751 3.893 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -1.696 -21.046 6.464 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.280 -19.986 4.750 1.00 0.00 H new ATOM 1766 N LEU A 108 -7.966 -17.664 6.898 1.00 0.00 N ATOM 1767 CA LEU A 108 -9.158 -17.117 7.538 1.00 0.00 C ATOM 1768 C LEU A 108 -8.777 -16.204 8.700 1.00 0.00 C ATOM 1769 O LEU A 108 -7.949 -16.565 9.539 1.00 0.00 O ATOM 1770 CB LEU A 108 -10.073 -18.249 8.029 1.00 0.00 C ATOM 1771 CG LEU A 108 -9.438 -19.225 9.024 1.00 0.00 C ATOM 1772 CD1 LEU A 108 -10.440 -19.616 10.102 1.00 0.00 C ATOM 1773 CD2 LEU A 108 -8.917 -20.462 8.304 1.00 0.00 C ATOM 0 H LEU A 108 -7.911 -18.682 6.912 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.700 -16.526 6.799 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -10.954 -17.805 8.494 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.420 -18.814 7.164 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.595 -18.727 9.502 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.971 -20.310 10.800 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -10.763 -18.724 10.639 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -11.304 -20.094 9.640 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.470 -21.143 9.028 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.742 -20.962 7.797 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.166 -20.167 7.571 1.00 0.00 H new ATOM 1785 N GLN A 109 -9.383 -15.018 8.731 1.00 0.00 N ATOM 1786 CA GLN A 109 -9.117 -14.031 9.777 1.00 0.00 C ATOM 1787 C GLN A 109 -7.725 -13.424 9.597 1.00 0.00 C ATOM 1788 O GLN A 109 -6.794 -13.738 10.341 1.00 0.00 O ATOM 1789 CB GLN A 109 -9.255 -14.667 11.166 1.00 0.00 C ATOM 1790 CG GLN A 109 -9.353 -13.655 12.299 1.00 0.00 C ATOM 1791 CD GLN A 109 -9.215 -14.297 13.667 1.00 0.00 C ATOM 1792 OE1 GLN A 109 -10.106 -14.189 14.510 1.00 0.00 O ATOM 1793 NE2 GLN A 109 -8.091 -14.969 13.899 1.00 0.00 N ATOM 0 H GLN A 109 -10.067 -14.715 8.038 1.00 0.00 H new ATOM 0 HA GLN A 109 -9.854 -13.232 9.693 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -10.142 -15.300 11.179 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.398 -15.316 11.345 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -8.576 -12.900 12.176 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -10.311 -13.139 12.239 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -7.377 -15.035 13.173 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -7.943 -15.419 14.802 1.00 0.00 H new ATOM 1802 N GLU A 110 -7.593 -12.551 8.598 1.00 0.00 N ATOM 1803 CA GLU A 110 -6.325 -11.899 8.309 1.00 0.00 C ATOM 1804 C GLU A 110 -6.366 -10.427 8.687 1.00 0.00 C ATOM 1805 O GLU A 110 -7.294 -9.702 8.323 1.00 0.00 O ATOM 1806 CB GLU A 110 -5.970 -12.039 6.826 1.00 0.00 C ATOM 1807 CG GLU A 110 -4.541 -11.627 6.498 1.00 0.00 C ATOM 1808 CD GLU A 110 -3.621 -12.821 6.321 1.00 0.00 C ATOM 1809 OE1 GLU A 110 -3.646 -13.436 5.234 1.00 0.00 O ATOM 1810 OE2 GLU A 110 -2.884 -13.146 7.274 1.00 0.00 O ATOM 0 H GLU A 110 -8.355 -12.281 7.976 1.00 0.00 H new ATOM 0 HA GLU A 110 -5.559 -12.392 8.908 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.119 -13.075 6.522 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.658 -11.432 6.238 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.538 -11.031 5.585 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.157 -10.991 7.295 1.00 0.00 H new ATOM 1817 N SER A 111 -5.337 -9.999 9.410 1.00 0.00 N ATOM 1818 CA SER A 111 -5.202 -8.617 9.850 1.00 0.00 C ATOM 1819 C SER A 111 -3.740 -8.193 9.739 1.00 0.00 C ATOM 1820 O SER A 111 -3.093 -7.864 10.737 1.00 0.00 O ATOM 1821 CB SER A 111 -5.698 -8.459 11.291 1.00 0.00 C ATOM 1822 OG SER A 111 -6.270 -7.180 11.499 1.00 0.00 O ATOM 0 H SER A 111 -4.571 -10.603 9.708 1.00 0.00 H new ATOM 0 HA SER A 111 -5.812 -7.977 9.213 1.00 0.00 H new ATOM 0 HB2 SER A 111 -6.436 -9.230 11.511 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.868 -8.606 11.982 1.00 0.00 H new ATOM 0 HG SER A 111 -6.579 -7.107 12.426 1.00 0.00 H new ATOM 1828 N TYR A 112 -3.223 -8.219 8.513 1.00 0.00 N ATOM 1829 CA TYR A 112 -1.838 -7.855 8.257 1.00 0.00 C ATOM 1830 C TYR A 112 -1.759 -6.487 7.604 1.00 0.00 C ATOM 1831 O TYR A 112 -2.293 -6.271 6.516 1.00 0.00 O ATOM 1832 CB TYR A 112 -1.164 -8.900 7.365 1.00 0.00 C ATOM 1833 CG TYR A 112 -0.223 -9.822 8.110 1.00 0.00 C ATOM 1834 CD1 TYR A 112 0.867 -9.319 8.812 1.00 0.00 C ATOM 1835 CD2 TYR A 112 -0.422 -11.195 8.104 1.00 0.00 C ATOM 1836 CE1 TYR A 112 1.727 -10.161 9.487 1.00 0.00 C ATOM 1837 CE2 TYR A 112 0.434 -12.043 8.778 1.00 0.00 C ATOM 1838 CZ TYR A 112 1.508 -11.521 9.467 1.00 0.00 C ATOM 1839 OH TYR A 112 2.367 -12.362 10.138 1.00 0.00 O ATOM 0 H TYR A 112 -3.747 -8.490 7.681 1.00 0.00 H new ATOM 0 HA TYR A 112 -1.314 -7.819 9.212 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.933 -9.498 6.877 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -0.610 -8.389 6.578 1.00 0.00 H new ATOM 0 HD1 TYR A 112 1.043 -8.254 8.829 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -1.261 -11.607 7.563 1.00 0.00 H new ATOM 0 HE1 TYR A 112 2.569 -9.755 10.029 1.00 0.00 H new ATOM 0 HE2 TYR A 112 0.263 -13.109 8.766 1.00 0.00 H new ATOM 0 HH TYR A 112 2.071 -13.290 10.025 1.00 0.00 H new ATOM 1849 N GLU A 113 -1.091 -5.570 8.281 1.00 0.00 N ATOM 1850 CA GLU A 113 -0.937 -4.210 7.785 1.00 0.00 C ATOM 1851 C GLU A 113 0.455 -3.661 8.104 1.00 0.00 C ATOM 1852 O GLU A 113 0.992 -3.900 9.188 1.00 0.00 O ATOM 1853 CB GLU A 113 -2.042 -3.320 8.371 1.00 0.00 C ATOM 1854 CG GLU A 113 -1.646 -2.563 9.633 1.00 0.00 C ATOM 1855 CD GLU A 113 -2.783 -1.729 10.194 1.00 0.00 C ATOM 1856 OE1 GLU A 113 -3.812 -2.318 10.587 1.00 0.00 O ATOM 1857 OE2 GLU A 113 -2.643 -0.488 10.239 1.00 0.00 O ATOM 0 H GLU A 113 -0.643 -5.742 9.181 1.00 0.00 H new ATOM 0 HA GLU A 113 -1.035 -4.215 6.699 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -2.350 -2.600 7.613 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.910 -3.940 8.593 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -1.314 -3.274 10.390 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -0.799 -1.914 9.412 1.00 0.00 H new ATOM 1864 N VAL A 114 1.036 -2.940 7.145 1.00 0.00 N ATOM 1865 CA VAL A 114 2.374 -2.373 7.312 1.00 0.00 C ATOM 1866 C VAL A 114 2.417 -0.896 6.910 1.00 0.00 C ATOM 1867 O VAL A 114 1.674 -0.455 6.030 1.00 0.00 O ATOM 1868 CB VAL A 114 3.417 -3.169 6.490 1.00 0.00 C ATOM 1869 CG1 VAL A 114 3.013 -3.252 5.027 1.00 0.00 C ATOM 1870 CG2 VAL A 114 4.802 -2.554 6.628 1.00 0.00 C ATOM 0 H VAL A 114 0.601 -2.735 6.245 1.00 0.00 H new ATOM 0 HA VAL A 114 2.622 -2.446 8.371 1.00 0.00 H new ATOM 0 HB VAL A 114 3.451 -4.182 6.890 1.00 0.00 H new ATOM 0 HG11 VAL A 114 3.764 -3.816 4.474 1.00 0.00 H new ATOM 0 HG12 VAL A 114 2.048 -3.753 4.944 1.00 0.00 H new ATOM 0 HG13 VAL A 114 2.937 -2.247 4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 114 5.517 -3.131 6.041 1.00 0.00 H new ATOM 0 HG22 VAL A 114 4.781 -1.526 6.266 1.00 0.00 H new ATOM 0 HG23 VAL A 114 5.101 -2.563 7.676 1.00 0.00 H new ATOM 1880 N GLU A 115 3.294 -0.138 7.572 1.00 0.00 N ATOM 1881 CA GLU A 115 3.445 1.292 7.303 1.00 0.00 C ATOM 1882 C GLU A 115 4.919 1.680 7.164 1.00 0.00 C ATOM 1883 O GLU A 115 5.795 1.051 7.762 1.00 0.00 O ATOM 1884 CB GLU A 115 2.801 2.112 8.425 1.00 0.00 C ATOM 1885 CG GLU A 115 1.492 1.531 8.941 1.00 0.00 C ATOM 1886 CD GLU A 115 1.669 0.707 10.201 1.00 0.00 C ATOM 1887 OE1 GLU A 115 1.715 1.301 11.298 1.00 0.00 O ATOM 1888 OE2 GLU A 115 1.754 -0.533 10.092 1.00 0.00 O ATOM 0 H GLU A 115 3.912 -0.494 8.301 1.00 0.00 H new ATOM 0 HA GLU A 115 2.943 1.508 6.360 1.00 0.00 H new ATOM 0 HB2 GLU A 115 3.504 2.190 9.254 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.620 3.124 8.064 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.793 2.343 9.139 1.00 0.00 H new ATOM 0 HG3 GLU A 115 1.046 0.909 8.165 1.00 0.00 H new ATOM 1895 N HIS A 116 5.183 2.724 6.374 1.00 0.00 N ATOM 1896 CA HIS A 116 6.548 3.202 6.158 1.00 0.00 C ATOM 1897 C HIS A 116 6.617 4.728 6.224 1.00 0.00 C ATOM 1898 O HIS A 116 5.869 5.425 5.535 1.00 0.00 O ATOM 1899 CB HIS A 116 7.074 2.713 4.806 1.00 0.00 C ATOM 1900 CG HIS A 116 7.958 1.507 4.901 1.00 0.00 C ATOM 1901 ND1 HIS A 116 8.697 1.025 5.929 1.00 0.00 N flip ATOM 1902 CD2 HIS A 116 8.160 0.642 3.847 1.00 0.00 C flip ATOM 1903 CE1 HIS A 116 9.322 -0.111 5.481 1.00 0.00 C flip ATOM 1904 NE2 HIS A 116 8.982 -0.321 4.223 1.00 0.00 N flip ATOM 0 H HIS A 116 4.469 3.253 5.874 1.00 0.00 H new ATOM 0 HA HIS A 116 7.174 2.798 6.954 1.00 0.00 H new ATOM 0 HB2 HIS A 116 6.227 2.481 4.160 1.00 0.00 H new ATOM 0 HB3 HIS A 116 7.628 3.521 4.328 1.00 0.00 H new ATOM 0 HD1 HIS A 116 8.774 1.431 6.862 1.00 0.00 H new ATOM 0 HD2 HIS A 116 7.716 0.737 2.867 1.00 0.00 H new ATOM 0 HE1 HIS A 116 9.985 -0.733 6.064 1.00 0.00 H new ATOM 1913 N VAL A 117 7.522 5.236 7.060 1.00 0.00 N ATOM 1914 CA VAL A 117 7.703 6.677 7.227 1.00 0.00 C ATOM 1915 C VAL A 117 8.855 7.195 6.364 1.00 0.00 C ATOM 1916 O VAL A 117 9.918 6.576 6.292 1.00 0.00 O ATOM 1917 CB VAL A 117 7.969 7.041 8.708 1.00 0.00 C ATOM 1918 CG1 VAL A 117 9.270 6.417 9.197 1.00 0.00 C ATOM 1919 CG2 VAL A 117 7.989 8.553 8.896 1.00 0.00 C ATOM 0 H VAL A 117 8.144 4.667 7.635 1.00 0.00 H new ATOM 0 HA VAL A 117 6.777 7.153 6.905 1.00 0.00 H new ATOM 0 HB VAL A 117 7.155 6.634 9.308 1.00 0.00 H new ATOM 0 HG11 VAL A 117 9.434 6.688 10.240 1.00 0.00 H new ATOM 0 HG12 VAL A 117 9.209 5.332 9.109 1.00 0.00 H new ATOM 0 HG13 VAL A 117 10.099 6.784 8.592 1.00 0.00 H new ATOM 0 HG21 VAL A 117 8.177 8.787 9.944 1.00 0.00 H new ATOM 0 HG22 VAL A 117 8.777 8.986 8.280 1.00 0.00 H new ATOM 0 HG23 VAL A 117 7.027 8.969 8.599 1.00 0.00 H new ATOM 1929 N ILE A 118 8.634 8.337 5.715 1.00 0.00 N ATOM 1930 CA ILE A 118 9.650 8.947 4.860 1.00 0.00 C ATOM 1931 C ILE A 118 9.983 10.357 5.344 1.00 0.00 C ATOM 1932 O ILE A 118 9.154 11.264 5.255 1.00 0.00 O ATOM 1933 CB ILE A 118 9.179 9.009 3.388 1.00 0.00 C ATOM 1934 CG1 ILE A 118 8.642 7.646 2.940 1.00 0.00 C ATOM 1935 CG2 ILE A 118 10.314 9.464 2.480 1.00 0.00 C ATOM 1936 CD1 ILE A 118 7.845 7.699 1.654 1.00 0.00 C ATOM 0 H ILE A 118 7.759 8.859 5.765 1.00 0.00 H new ATOM 0 HA ILE A 118 10.543 8.324 4.917 1.00 0.00 H new ATOM 0 HB ILE A 118 8.372 9.738 3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.479 6.960 2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.013 7.235 3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.962 9.501 1.449 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.649 10.455 2.785 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.144 8.762 2.555 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.498 6.698 1.400 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.987 8.359 1.785 1.00 0.00 H new ATOM 0 HD13 ILE A 118 8.476 8.079 0.850 1.00 0.00 H new ATOM 1948 N GLN A 119 11.197 10.537 5.866 1.00 0.00 N ATOM 1949 CA GLN A 119 11.628 11.840 6.372 1.00 0.00 C ATOM 1950 C GLN A 119 12.985 12.242 5.791 1.00 0.00 C ATOM 1951 O GLN A 119 13.990 11.570 6.025 1.00 0.00 O ATOM 1952 CB GLN A 119 11.699 11.822 7.903 1.00 0.00 C ATOM 1953 CG GLN A 119 12.489 10.649 8.477 1.00 0.00 C ATOM 1954 CD GLN A 119 13.575 11.090 9.441 1.00 0.00 C ATOM 1955 OE1 GLN A 119 13.499 10.831 10.642 1.00 0.00 O ATOM 1956 NE2 GLN A 119 14.596 11.762 8.919 1.00 0.00 N ATOM 0 H GLN A 119 11.897 9.800 5.949 1.00 0.00 H new ATOM 0 HA GLN A 119 10.891 12.578 6.057 1.00 0.00 H new ATOM 0 HB2 GLN A 119 12.151 12.753 8.246 1.00 0.00 H new ATOM 0 HB3 GLN A 119 10.685 11.794 8.303 1.00 0.00 H new ATOM 0 HG2 GLN A 119 11.806 9.973 8.991 1.00 0.00 H new ATOM 0 HG3 GLN A 119 12.941 10.086 7.660 1.00 0.00 H new ATOM 0 HE21 GLN A 119 14.620 11.956 7.918 1.00 0.00 H new ATOM 0 HE22 GLN A 119 15.355 12.084 9.520 1.00 0.00 H new ATOM 1965 N ILE A 120 13.007 13.347 5.040 1.00 0.00 N ATOM 1966 CA ILE A 120 14.247 13.838 4.437 1.00 0.00 C ATOM 1967 C ILE A 120 14.265 15.371 4.341 1.00 0.00 C ATOM 1968 O ILE A 120 14.455 15.933 3.261 1.00 0.00 O ATOM 1969 CB ILE A 120 14.484 13.235 3.030 1.00 0.00 C ATOM 1970 CG1 ILE A 120 13.290 13.509 2.098 1.00 0.00 C ATOM 1971 CG2 ILE A 120 14.761 11.741 3.130 1.00 0.00 C ATOM 1972 CD1 ILE A 120 12.039 12.724 2.436 1.00 0.00 C ATOM 0 H ILE A 120 12.185 13.915 4.837 1.00 0.00 H new ATOM 0 HA ILE A 120 15.053 13.515 5.097 1.00 0.00 H new ATOM 0 HB ILE A 120 15.359 13.720 2.598 1.00 0.00 H new ATOM 0 HG12 ILE A 120 13.056 14.573 2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 120 13.584 13.278 1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 120 14.925 11.334 2.132 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.649 11.576 3.740 1.00 0.00 H new ATOM 0 HG23 ILE A 120 13.907 11.243 3.589 1.00 0.00 H new ATOM 0 HD11 ILE A 120 11.248 12.978 1.730 1.00 0.00 H new ATOM 0 HD12 ILE A 120 12.251 11.657 2.374 1.00 0.00 H new ATOM 0 HD13 ILE A 120 11.716 12.972 3.447 1.00 0.00 H new ATOM 1984 N PRO A 121 14.077 16.072 5.478 1.00 0.00 N ATOM 1985 CA PRO A 121 14.083 17.539 5.509 1.00 0.00 C ATOM 1986 C PRO A 121 15.499 18.114 5.438 1.00 0.00 C ATOM 1987 O PRO A 121 16.370 17.739 6.223 1.00 0.00 O ATOM 1988 CB PRO A 121 13.438 17.858 6.858 1.00 0.00 C ATOM 1989 CG PRO A 121 13.784 16.696 7.723 1.00 0.00 C ATOM 1990 CD PRO A 121 13.848 15.494 6.819 1.00 0.00 C ATOM 0 HA PRO A 121 13.560 17.973 4.657 1.00 0.00 H new ATOM 0 HB2 PRO A 121 13.824 18.789 7.272 1.00 0.00 H new ATOM 0 HB3 PRO A 121 12.358 17.975 6.764 1.00 0.00 H new ATOM 0 HG2 PRO A 121 14.739 16.856 8.224 1.00 0.00 H new ATOM 0 HG3 PRO A 121 13.035 16.556 8.502 1.00 0.00 H new ATOM 0 HD2 PRO A 121 14.655 14.820 7.107 1.00 0.00 H new ATOM 0 HD3 PRO A 121 12.923 14.918 6.854 1.00 0.00 H new ATOM 1998 N LEU A 122 15.719 19.025 4.490 1.00 0.00 N ATOM 1999 CA LEU A 122 17.026 19.654 4.315 1.00 0.00 C ATOM 2000 C LEU A 122 16.992 21.112 4.777 1.00 0.00 C ATOM 2001 O LEU A 122 17.065 22.035 3.964 1.00 0.00 O ATOM 2002 CB LEU A 122 17.461 19.576 2.844 1.00 0.00 C ATOM 2003 CG LEU A 122 18.074 18.242 2.404 1.00 0.00 C ATOM 2004 CD1 LEU A 122 19.414 18.016 3.085 1.00 0.00 C ATOM 2005 CD2 LEU A 122 17.124 17.088 2.692 1.00 0.00 C ATOM 0 H LEU A 122 15.008 19.343 3.832 1.00 0.00 H new ATOM 0 HA LEU A 122 17.749 19.115 4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 122 16.594 19.781 2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 122 18.186 20.368 2.656 1.00 0.00 H new ATOM 0 HG LEU A 122 18.240 18.284 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 122 19.832 17.064 2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 122 20.098 18.822 2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 122 19.275 18.000 4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 122 17.581 16.152 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 122 16.919 17.044 3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 122 16.191 17.241 2.150 1.00 0.00 H new ATOM 2017 N ASN A 123 16.873 21.311 6.090 1.00 0.00 N ATOM 2018 CA ASN A 123 16.823 22.655 6.662 1.00 0.00 C ATOM 2019 C ASN A 123 18.222 23.144 7.033 1.00 0.00 C ATOM 2020 O ASN A 123 18.638 24.194 6.501 1.00 0.00 O ATOM 2021 CB ASN A 123 15.910 22.677 7.896 1.00 0.00 C ATOM 2022 CG ASN A 123 14.965 23.868 7.909 1.00 0.00 C ATOM 2023 OD1 ASN A 123 14.607 24.405 6.860 1.00 0.00 O ATOM 2024 ND2 ASN A 123 14.553 24.286 9.102 1.00 0.00 N ATOM 0 H ASN A 123 16.810 20.559 6.776 1.00 0.00 H new ATOM 0 HA ASN A 123 16.414 23.328 5.908 1.00 0.00 H new ATOM 0 HB2 ASN A 123 15.327 21.756 7.928 1.00 0.00 H new ATOM 0 HB3 ASN A 123 16.524 22.697 8.796 1.00 0.00 H new ATOM 0 HD21 ASN A 123 13.916 25.080 9.172 1.00 0.00 H new ATOM 0 HD22 ASN A 123 14.874 23.813 9.947 1.00 0.00 H new TER 2031 ASN A 123