USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 826 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 90 LYS NZ :NH3+ 179:sc= 2.22 (180deg=1.01) USER MOD Set 1.2: A 99 ASN : amide:sc= 0.978 K(o=3.2,f=-5.9!) USER MOD Set 2.1: A 47 ASN : amide:sc= 0.857 K(o=-0.34,f=-2!) USER MOD Set 2.2: A 62 GLN : amide:sc= -1.2! K(o=-0.34!,f=-2) USER MOD Set 3.1: A 20 SER OG : rot -170:sc= 1.01 USER MOD Set 3.2: A 46 CYS SG : rot 100:sc= -0.0954 USER MOD Set 4.1: A 31 GLN : amide:sc= 1.1 K(o=2.2,f=-0.22) USER MOD Set 4.2: A 35 SER OG : rot -180:sc= 1.11 USER MOD Set 5.1: A 22 GLN : amide:sc= 0.173 K(o=0.37,f=-0.91) USER MOD Set 5.2: A 26 GLN : amide:sc= 0.194 K(o=0.37,f=-2.1!) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -115:sc= 1.38 (180deg=-0.401) USER MOD Single : A 6 THR OG1 : rot 94:sc= 0.394 USER MOD Single : A 7 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0598) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.673 K(o=0.67,f=0) USER MOD Single : A 28 TYR OH : rot -151:sc= 1.24 USER MOD Single : A 32 LYS NZ :NH3+ 149:sc= 0.688 (180deg=-2.31!) USER MOD Single : A 33 ASN : amide:sc= 0.855 K(o=0.86,f=-8.1!) USER MOD Single : A 36 LYS NZ :NH3+ 176:sc= 1.49 (180deg=1.36) USER MOD Single : A 41 THR OG1 : rot 71:sc= 1.22 USER MOD Single : A 51 CYS SG : rot 82:sc= 0.359 USER MOD Single : A 53 GLN : amide:sc= 0.0978 X(o=0.098,f=-0.065) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.119 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 66 SER OG : rot -38:sc= 0.375 USER MOD Single : A 67 ASN : amide:sc= 0.03 X(o=0.03,f=-0.009) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00142 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0.555 K(o=0.55,f=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.111) USER MOD Single : A 89 HIS : no HE2:sc= 0.277 K(o=0.28,f=-2!) USER MOD Single : A 93 MET CE :methyl 171:sc= 0 (180deg=-0.116) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0863) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 4.492 24.088 8.191 1.00 0.00 N ATOM 2 CA MET A 0 5.453 22.988 8.019 1.00 0.00 C ATOM 3 C MET A 0 6.103 23.027 6.631 1.00 0.00 C ATOM 4 O MET A 0 6.092 22.024 5.917 1.00 0.00 O ATOM 5 CB MET A 0 4.832 21.616 8.342 1.00 0.00 C ATOM 6 CG MET A 0 3.527 21.314 7.588 1.00 0.00 C ATOM 7 SD MET A 0 2.047 22.140 8.223 1.00 0.00 S ATOM 8 CE MET A 0 0.817 21.586 7.026 1.00 0.00 C ATOM 0 H1 MET A 0 4.831 24.732 8.934 1.00 0.00 H new ATOM 0 H2 MET A 0 4.398 24.610 7.296 1.00 0.00 H new ATOM 0 H3 MET A 0 3.566 23.701 8.465 1.00 0.00 H new ATOM 0 HA MET A 0 6.250 23.136 8.748 1.00 0.00 H new ATOM 0 HB2 MET A 0 5.559 20.838 8.110 1.00 0.00 H new ATOM 0 HB3 MET A 0 4.639 21.562 9.413 1.00 0.00 H new ATOM 0 HG2 MET A 0 3.659 21.596 6.543 1.00 0.00 H new ATOM 0 HG3 MET A 0 3.357 20.237 7.609 1.00 0.00 H new ATOM 0 HE1 MET A 0 -0.154 22.011 7.279 1.00 0.00 H new ATOM 0 HE2 MET A 0 1.107 21.914 6.028 1.00 0.00 H new ATOM 0 HE3 MET A 0 0.754 20.498 7.046 1.00 0.00 H new ATOM 20 N ALA A 1 6.658 24.182 6.247 1.00 0.00 N ATOM 21 CA ALA A 1 7.231 24.455 4.933 1.00 0.00 C ATOM 22 C ALA A 1 6.458 23.724 3.834 1.00 0.00 C ATOM 23 O ALA A 1 5.320 24.090 3.550 1.00 0.00 O ATOM 24 CB ALA A 1 8.729 24.143 4.931 1.00 0.00 C ATOM 0 H ALA A 1 6.721 24.984 6.874 1.00 0.00 H new ATOM 0 HA ALA A 1 7.132 25.518 4.712 1.00 0.00 H new ATOM 0 HB1 ALA A 1 9.143 24.351 3.944 1.00 0.00 H new ATOM 0 HB2 ALA A 1 9.231 24.764 5.673 1.00 0.00 H new ATOM 0 HB3 ALA A 1 8.882 23.091 5.174 1.00 0.00 H new ATOM 30 N ARG A 2 7.017 22.658 3.268 1.00 0.00 N ATOM 31 CA ARG A 2 6.301 21.788 2.352 1.00 0.00 C ATOM 32 C ARG A 2 6.751 20.349 2.582 1.00 0.00 C ATOM 33 O ARG A 2 7.148 19.656 1.643 1.00 0.00 O ATOM 34 CB ARG A 2 6.481 22.267 0.897 1.00 0.00 C ATOM 35 CG ARG A 2 7.932 22.633 0.527 1.00 0.00 C ATOM 36 CD ARG A 2 8.152 24.155 0.568 1.00 0.00 C ATOM 37 NE ARG A 2 9.552 24.532 0.304 1.00 0.00 N ATOM 38 CZ ARG A 2 10.098 24.686 -0.913 1.00 0.00 C ATOM 39 NH1 ARG A 2 9.396 24.379 -2.005 1.00 0.00 N ATOM 40 NH2 ARG A 2 11.348 25.134 -1.038 1.00 0.00 N ATOM 0 H ARG A 2 7.983 22.376 3.435 1.00 0.00 H new ATOM 0 HA ARG A 2 5.229 21.828 2.544 1.00 0.00 H new ATOM 0 HB2 ARG A 2 6.132 21.484 0.223 1.00 0.00 H new ATOM 0 HB3 ARG A 2 5.845 23.137 0.731 1.00 0.00 H new ATOM 0 HG2 ARG A 2 8.620 22.145 1.218 1.00 0.00 H new ATOM 0 HG3 ARG A 2 8.161 22.257 -0.470 1.00 0.00 H new ATOM 0 HD2 ARG A 2 7.506 24.632 -0.169 1.00 0.00 H new ATOM 0 HD3 ARG A 2 7.855 24.535 1.545 1.00 0.00 H new ATOM 0 HE ARG A 2 10.155 24.689 1.111 1.00 0.00 H new ATOM 0 HH11 ARG A 2 8.443 24.027 -1.916 1.00 0.00 H new ATOM 0 HH12 ARG A 2 9.812 24.497 -2.929 1.00 0.00 H new ATOM 0 HH21 ARG A 2 11.894 25.361 -0.207 1.00 0.00 H new ATOM 0 HH22 ARG A 2 11.758 25.249 -1.965 1.00 0.00 H new ATOM 54 N ILE A 3 6.662 19.889 3.830 1.00 0.00 N ATOM 55 CA ILE A 3 7.011 18.513 4.171 1.00 0.00 C ATOM 56 C ILE A 3 6.058 17.544 3.466 1.00 0.00 C ATOM 57 O ILE A 3 4.925 17.902 3.143 1.00 0.00 O ATOM 58 CB ILE A 3 7.010 18.284 5.694 1.00 0.00 C ATOM 59 CG1 ILE A 3 5.619 18.521 6.312 1.00 0.00 C ATOM 60 CG2 ILE A 3 8.098 19.145 6.353 1.00 0.00 C ATOM 61 CD1 ILE A 3 5.526 18.036 7.763 1.00 0.00 C ATOM 0 H ILE A 3 6.350 20.452 4.622 1.00 0.00 H new ATOM 0 HA ILE A 3 8.027 18.323 3.824 1.00 0.00 H new ATOM 0 HB ILE A 3 7.245 17.237 5.886 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.385 19.585 6.273 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.867 18.007 5.713 1.00 0.00 H new ATOM 0 HG21 ILE A 3 8.091 18.978 7.430 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.073 18.871 5.949 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.903 20.198 6.148 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.524 18.228 8.147 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.731 16.966 7.803 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.257 18.568 8.372 1.00 0.00 H new ATOM 73 N ASP A 4 6.521 16.330 3.189 1.00 0.00 N ATOM 74 CA ASP A 4 5.731 15.323 2.495 1.00 0.00 C ATOM 75 C ASP A 4 4.598 14.828 3.410 1.00 0.00 C ATOM 76 O ASP A 4 4.887 14.448 4.551 1.00 0.00 O ATOM 77 CB ASP A 4 6.664 14.168 2.107 1.00 0.00 C ATOM 78 CG ASP A 4 6.026 13.110 1.235 1.00 0.00 C ATOM 79 OD1 ASP A 4 4.842 13.240 0.871 1.00 0.00 O ATOM 80 OD2 ASP A 4 6.756 12.143 0.921 1.00 0.00 O ATOM 0 H ASP A 4 7.458 16.017 3.441 1.00 0.00 H new ATOM 0 HA ASP A 4 5.277 15.743 1.597 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.529 14.577 1.585 1.00 0.00 H new ATOM 0 HB3 ASP A 4 7.034 13.696 3.017 1.00 0.00 H new ATOM 85 N PRO A 5 3.324 14.801 2.980 1.00 0.00 N ATOM 86 CA PRO A 5 2.237 14.164 3.713 1.00 0.00 C ATOM 87 C PRO A 5 2.384 12.629 3.709 1.00 0.00 C ATOM 88 O PRO A 5 1.468 11.916 3.296 1.00 0.00 O ATOM 89 CB PRO A 5 0.948 14.641 3.032 1.00 0.00 C ATOM 90 CG PRO A 5 1.403 14.877 1.598 1.00 0.00 C ATOM 91 CD PRO A 5 2.796 15.469 1.806 1.00 0.00 C ATOM 0 HA PRO A 5 2.236 14.439 4.768 1.00 0.00 H new ATOM 0 HB2 PRO A 5 0.158 13.893 3.089 1.00 0.00 H new ATOM 0 HB3 PRO A 5 0.560 15.551 3.490 1.00 0.00 H new ATOM 0 HG2 PRO A 5 1.433 13.953 1.021 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.742 15.562 1.067 1.00 0.00 H new ATOM 0 HD2 PRO A 5 3.430 15.297 0.937 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.747 16.548 1.956 1.00 0.00 H new ATOM 99 N THR A 6 3.507 12.100 4.198 1.00 0.00 N ATOM 100 CA THR A 6 3.848 10.686 4.171 1.00 0.00 C ATOM 101 C THR A 6 4.674 10.324 5.423 1.00 0.00 C ATOM 102 O THR A 6 5.511 9.430 5.370 1.00 0.00 O ATOM 103 CB THR A 6 4.576 10.404 2.837 1.00 0.00 C ATOM 104 OG1 THR A 6 3.792 10.902 1.768 1.00 0.00 O ATOM 105 CG2 THR A 6 4.844 8.934 2.503 1.00 0.00 C ATOM 0 H THR A 6 4.228 12.671 4.639 1.00 0.00 H new ATOM 0 HA THR A 6 2.963 10.050 4.209 1.00 0.00 H new ATOM 0 HB THR A 6 5.544 10.889 2.962 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.084 11.810 1.543 1.00 0.00 H new ATOM 0 HG21 THR A 6 5.359 8.867 1.545 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.466 8.492 3.281 1.00 0.00 H new ATOM 0 HG23 THR A 6 3.898 8.396 2.445 1.00 0.00 H new ATOM 113 N LYS A 7 4.430 10.953 6.581 1.00 0.00 N ATOM 114 CA LYS A 7 5.284 10.733 7.755 1.00 0.00 C ATOM 115 C LYS A 7 5.201 9.273 8.224 1.00 0.00 C ATOM 116 O LYS A 7 6.201 8.686 8.637 1.00 0.00 O ATOM 117 CB LYS A 7 4.862 11.662 8.916 1.00 0.00 C ATOM 118 CG LYS A 7 5.958 12.647 9.354 1.00 0.00 C ATOM 119 CD LYS A 7 6.216 13.763 8.329 1.00 0.00 C ATOM 120 CE LYS A 7 7.288 14.763 8.794 1.00 0.00 C ATOM 121 NZ LYS A 7 6.894 15.500 10.016 1.00 0.00 N ATOM 0 H LYS A 7 3.662 11.607 6.729 1.00 0.00 H new ATOM 0 HA LYS A 7 6.310 10.959 7.465 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.979 12.226 8.615 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.573 11.051 9.771 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.674 13.096 10.306 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.884 12.098 9.524 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.527 13.317 7.384 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.285 14.297 8.139 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.219 14.229 8.982 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.485 15.476 7.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.596 16.240 10.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.961 15.937 9.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.847 14.841 10.819 1.00 0.00 H new ATOM 135 N LYS A 8 4.001 8.696 8.195 1.00 0.00 N ATOM 136 CA LYS A 8 3.733 7.359 8.704 1.00 0.00 C ATOM 137 C LYS A 8 3.548 6.391 7.541 1.00 0.00 C ATOM 138 O LYS A 8 2.463 5.848 7.361 1.00 0.00 O ATOM 139 CB LYS A 8 2.554 7.421 9.686 1.00 0.00 C ATOM 140 CG LYS A 8 1.244 8.030 9.148 1.00 0.00 C ATOM 141 CD LYS A 8 0.317 8.402 10.313 1.00 0.00 C ATOM 142 CE LYS A 8 0.713 9.743 10.964 1.00 0.00 C ATOM 143 NZ LYS A 8 0.362 9.800 12.396 1.00 0.00 N ATOM 0 H LYS A 8 3.176 9.155 7.810 1.00 0.00 H new ATOM 0 HA LYS A 8 4.579 6.970 9.272 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.343 6.409 10.031 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.865 7.997 10.558 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.464 8.915 8.551 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.746 7.318 8.490 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.710 8.464 9.953 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.345 7.613 11.064 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.786 9.896 10.850 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.217 10.559 10.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.648 10.720 12.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.665 9.681 12.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.855 9.039 12.905 1.00 0.00 H new ATOM 157 N GLY A 9 4.589 6.230 6.717 1.00 0.00 N ATOM 158 CA GLY A 9 4.556 5.410 5.512 1.00 0.00 C ATOM 159 C GLY A 9 3.278 5.649 4.710 1.00 0.00 C ATOM 160 O GLY A 9 2.689 4.719 4.157 1.00 0.00 O ATOM 0 H GLY A 9 5.492 6.676 6.876 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.424 5.636 4.892 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.625 4.357 5.785 1.00 0.00 H new ATOM 164 N ARG A 10 2.867 6.920 4.670 1.00 0.00 N ATOM 165 CA ARG A 10 1.520 7.378 4.377 1.00 0.00 C ATOM 166 C ARG A 10 0.438 6.577 5.100 1.00 0.00 C ATOM 167 O ARG A 10 -0.209 7.096 6.008 1.00 0.00 O ATOM 168 CB ARG A 10 1.232 7.563 2.882 1.00 0.00 C ATOM 169 CG ARG A 10 1.573 6.411 1.932 1.00 0.00 C ATOM 170 CD ARG A 10 1.283 6.824 0.488 1.00 0.00 C ATOM 171 NE ARG A 10 2.340 7.697 -0.037 1.00 0.00 N ATOM 172 CZ ARG A 10 2.335 9.034 -0.126 1.00 0.00 C ATOM 173 NH1 ARG A 10 1.376 9.775 0.440 1.00 0.00 N ATOM 174 NH2 ARG A 10 3.312 9.624 -0.804 1.00 0.00 N ATOM 0 H ARG A 10 3.506 7.694 4.852 1.00 0.00 H new ATOM 0 HA ARG A 10 1.476 8.383 4.796 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.170 7.782 2.772 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.776 8.445 2.545 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.623 6.140 2.038 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.988 5.529 2.192 1.00 0.00 H new ATOM 0 HD2 ARG A 10 1.198 5.935 -0.137 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.324 7.340 0.440 1.00 0.00 H new ATOM 0 HE ARG A 10 3.181 7.229 -0.375 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.621 9.324 0.957 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.400 10.791 0.355 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.042 9.061 -1.241 1.00 0.00 H new ATOM 0 HH22 ARG A 10 3.333 10.640 -0.888 1.00 0.00 H new ATOM 188 N ARG A 11 0.164 5.367 4.633 1.00 0.00 N ATOM 189 CA ARG A 11 -0.856 4.524 5.157 1.00 0.00 C ATOM 190 C ARG A 11 -0.366 3.937 6.468 1.00 0.00 C ATOM 191 O ARG A 11 0.777 3.500 6.599 1.00 0.00 O ATOM 192 CB ARG A 11 -1.182 3.407 4.165 1.00 0.00 C ATOM 193 CG ARG A 11 -2.655 3.313 3.749 1.00 0.00 C ATOM 194 CD ARG A 11 -2.733 2.148 2.754 1.00 0.00 C ATOM 195 NE ARG A 11 -3.978 2.112 1.966 1.00 0.00 N ATOM 196 CZ ARG A 11 -4.096 2.418 0.662 1.00 0.00 C ATOM 197 NH1 ARG A 11 -3.154 3.112 0.024 1.00 0.00 N ATOM 198 NH2 ARG A 11 -5.142 1.957 -0.018 1.00 0.00 N ATOM 0 H ARG A 11 0.672 4.949 3.854 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.765 5.101 5.325 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.577 3.550 3.270 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.883 2.455 4.603 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.295 3.133 4.613 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.992 4.243 3.290 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.885 2.210 2.072 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -2.634 1.210 3.301 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.828 1.829 2.454 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.322 3.423 0.525 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.265 3.332 -0.966 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.841 1.380 0.450 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.246 2.181 -1.008 1.00 0.00 H new ATOM 212 N ASN A 12 -1.318 3.813 7.370 1.00 0.00 N ATOM 213 CA ASN A 12 -1.168 3.222 8.692 1.00 0.00 C ATOM 214 C ASN A 12 -2.472 2.550 9.107 1.00 0.00 C ATOM 215 O ASN A 12 -2.452 1.549 9.814 1.00 0.00 O ATOM 216 CB ASN A 12 -0.761 4.286 9.714 1.00 0.00 C ATOM 217 CG ASN A 12 -0.538 3.641 11.078 1.00 0.00 C ATOM 218 OD1 ASN A 12 0.494 3.010 11.302 1.00 0.00 O ATOM 219 ND2 ASN A 12 -1.492 3.740 11.991 1.00 0.00 N ATOM 0 H ASN A 12 -2.269 4.138 7.195 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.380 2.470 8.656 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.150 4.787 9.386 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.536 5.049 9.786 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -1.378 3.289 12.899 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.341 4.268 11.787 1.00 0.00 H new ATOM 226 N ARG A 13 -3.610 3.074 8.652 1.00 0.00 N ATOM 227 CA ARG A 13 -4.913 2.507 8.972 1.00 0.00 C ATOM 228 C ARG A 13 -5.023 1.073 8.461 1.00 0.00 C ATOM 229 O ARG A 13 -5.554 0.184 9.121 1.00 0.00 O ATOM 230 CB ARG A 13 -6.011 3.404 8.381 1.00 0.00 C ATOM 231 CG ARG A 13 -5.983 3.537 6.850 1.00 0.00 C ATOM 232 CD ARG A 13 -6.743 4.790 6.403 1.00 0.00 C ATOM 233 NE ARG A 13 -8.178 4.692 6.712 1.00 0.00 N ATOM 234 CZ ARG A 13 -9.154 4.334 5.864 1.00 0.00 C ATOM 235 NH1 ARG A 13 -8.893 4.169 4.565 1.00 0.00 N ATOM 236 NH2 ARG A 13 -10.386 4.129 6.326 1.00 0.00 N ATOM 0 H ARG A 13 -3.651 3.899 8.054 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.037 2.468 10.054 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.982 3.009 8.679 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.923 4.398 8.819 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.951 3.588 6.503 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.429 2.653 6.395 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.323 5.666 6.897 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.610 4.934 5.331 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.459 4.919 7.666 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.947 4.315 4.212 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.639 3.897 3.925 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.584 4.244 7.320 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.132 3.857 5.686 1.00 0.00 H new ATOM 250 N PHE A 14 -4.575 0.871 7.228 1.00 0.00 N ATOM 251 CA PHE A 14 -4.599 -0.427 6.585 1.00 0.00 C ATOM 252 C PHE A 14 -3.567 -1.334 7.248 1.00 0.00 C ATOM 253 O PHE A 14 -2.527 -0.858 7.706 1.00 0.00 O ATOM 254 CB PHE A 14 -4.271 -0.251 5.107 1.00 0.00 C ATOM 255 CG PHE A 14 -4.358 -1.526 4.297 1.00 0.00 C ATOM 256 CD1 PHE A 14 -5.608 -2.012 3.872 1.00 0.00 C ATOM 257 CD2 PHE A 14 -3.216 -2.333 4.151 1.00 0.00 C ATOM 258 CE1 PHE A 14 -5.677 -3.185 3.102 1.00 0.00 C ATOM 259 CE2 PHE A 14 -3.303 -3.539 3.440 1.00 0.00 C ATOM 260 CZ PHE A 14 -4.511 -3.920 2.837 1.00 0.00 C ATOM 0 H PHE A 14 -4.183 1.612 6.646 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.586 -0.880 6.684 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.953 0.485 4.680 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.264 0.156 5.016 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.512 -1.485 4.137 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.276 -2.026 4.584 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.627 -3.521 2.714 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.436 -4.177 3.356 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.544 -4.772 2.174 1.00 0.00 H new ATOM 270 N LYS A 15 -3.835 -2.633 7.253 1.00 0.00 N ATOM 271 CA LYS A 15 -3.013 -3.639 7.887 1.00 0.00 C ATOM 272 C LYS A 15 -3.390 -4.972 7.253 1.00 0.00 C ATOM 273 O LYS A 15 -4.541 -5.379 7.378 1.00 0.00 O ATOM 274 CB LYS A 15 -3.253 -3.596 9.408 1.00 0.00 C ATOM 275 CG LYS A 15 -4.738 -3.539 9.828 1.00 0.00 C ATOM 276 CD LYS A 15 -4.886 -3.107 11.293 1.00 0.00 C ATOM 277 CE LYS A 15 -4.310 -4.158 12.257 1.00 0.00 C ATOM 278 NZ LYS A 15 -5.285 -4.540 13.292 1.00 0.00 N ATOM 0 H LYS A 15 -4.661 -3.022 6.798 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.946 -3.473 7.741 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.796 -4.477 9.859 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.740 -2.726 9.818 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.274 -2.841 9.185 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.196 -4.518 9.687 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.376 -2.156 11.445 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.940 -2.944 11.520 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.011 -5.043 11.695 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.412 -3.763 12.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.861 -5.250 13.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.551 -3.700 13.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.132 -4.940 12.840 1.00 0.00 H new ATOM 292 N TRP A 16 -2.470 -5.615 6.534 1.00 0.00 N ATOM 293 CA TRP A 16 -2.717 -6.946 5.999 1.00 0.00 C ATOM 294 C TRP A 16 -3.001 -7.891 7.173 1.00 0.00 C ATOM 295 O TRP A 16 -2.364 -7.778 8.221 1.00 0.00 O ATOM 296 CB TRP A 16 -1.502 -7.417 5.187 1.00 0.00 C ATOM 297 CG TRP A 16 -1.325 -6.818 3.819 1.00 0.00 C ATOM 298 CD1 TRP A 16 -0.500 -5.790 3.512 1.00 0.00 C ATOM 299 CD2 TRP A 16 -1.847 -7.289 2.535 1.00 0.00 C ATOM 300 NE1 TRP A 16 -0.551 -5.529 2.160 1.00 0.00 N ATOM 301 CE2 TRP A 16 -1.363 -6.426 1.510 1.00 0.00 C ATOM 302 CE3 TRP A 16 -2.643 -8.376 2.112 1.00 0.00 C ATOM 303 CZ2 TRP A 16 -1.700 -6.594 0.165 1.00 0.00 C ATOM 304 CZ3 TRP A 16 -2.794 -8.677 0.746 1.00 0.00 C ATOM 305 CH2 TRP A 16 -2.398 -7.743 -0.223 1.00 0.00 C ATOM 0 H TRP A 16 -1.551 -5.234 6.311 1.00 0.00 H new ATOM 0 HA TRP A 16 -3.577 -6.937 5.329 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -0.604 -7.208 5.768 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -1.566 -8.500 5.078 1.00 0.00 H new ATOM 0 HD1 TRP A 16 0.110 -5.252 4.223 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -0.050 -4.768 1.701 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -3.144 -8.986 2.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -1.426 -5.847 -0.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.214 -9.625 0.444 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -2.631 -7.910 -1.264 1.00 0.00 H new ATOM 316 N GLY A 17 -3.959 -8.805 7.026 1.00 0.00 N ATOM 317 CA GLY A 17 -4.307 -9.783 8.053 1.00 0.00 C ATOM 318 C GLY A 17 -3.143 -10.726 8.373 1.00 0.00 C ATOM 319 O GLY A 17 -2.065 -10.612 7.785 1.00 0.00 O ATOM 0 H GLY A 17 -4.522 -8.887 6.179 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.610 -9.262 8.961 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.165 -10.367 7.720 1.00 0.00 H new ATOM 323 N PRO A 18 -3.322 -11.680 9.288 1.00 0.00 N ATOM 324 CA PRO A 18 -2.266 -12.614 9.628 1.00 0.00 C ATOM 325 C PRO A 18 -2.123 -13.674 8.539 1.00 0.00 C ATOM 326 O PRO A 18 -1.023 -13.961 8.073 1.00 0.00 O ATOM 327 CB PRO A 18 -2.684 -13.194 10.981 1.00 0.00 C ATOM 328 CG PRO A 18 -4.215 -13.105 10.980 1.00 0.00 C ATOM 329 CD PRO A 18 -4.526 -11.908 10.073 1.00 0.00 C ATOM 0 HA PRO A 18 -1.283 -12.149 9.697 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.346 -14.224 11.093 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.254 -12.626 11.806 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.666 -14.021 10.598 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.605 -12.953 11.986 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.379 -12.118 9.428 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.781 -11.027 10.662 1.00 0.00 H new ATOM 337 N ALA A 19 -3.260 -14.225 8.123 1.00 0.00 N ATOM 338 CA ALA A 19 -3.344 -15.171 7.019 1.00 0.00 C ATOM 339 C ALA A 19 -2.793 -14.488 5.774 1.00 0.00 C ATOM 340 O ALA A 19 -1.796 -14.932 5.214 1.00 0.00 O ATOM 341 CB ALA A 19 -4.783 -15.663 6.836 1.00 0.00 C ATOM 0 H ALA A 19 -4.163 -14.022 8.552 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.748 -16.061 7.224 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.824 -16.369 6.006 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.118 -16.156 7.749 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.433 -14.815 6.623 1.00 0.00 H new ATOM 347 N SER A 20 -3.379 -13.346 5.410 1.00 0.00 N ATOM 348 CA SER A 20 -2.799 -12.425 4.450 1.00 0.00 C ATOM 349 C SER A 20 -1.271 -12.377 4.527 1.00 0.00 C ATOM 350 O SER A 20 -0.609 -12.606 3.530 1.00 0.00 O ATOM 351 CB SER A 20 -3.291 -11.022 4.762 1.00 0.00 C ATOM 352 OG SER A 20 -4.583 -10.759 4.291 1.00 0.00 O ATOM 0 H SER A 20 -4.278 -13.038 5.781 1.00 0.00 H new ATOM 0 HA SER A 20 -3.096 -12.771 3.460 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.270 -10.871 5.841 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.601 -10.300 4.326 1.00 0.00 H new ATOM 0 HG SER A 20 -4.776 -9.803 4.382 1.00 0.00 H new ATOM 358 N GLN A 21 -0.697 -12.006 5.674 1.00 0.00 N ATOM 359 CA GLN A 21 0.747 -11.850 5.783 1.00 0.00 C ATOM 360 C GLN A 21 1.480 -13.137 5.408 1.00 0.00 C ATOM 361 O GLN A 21 2.453 -13.075 4.658 1.00 0.00 O ATOM 362 CB GLN A 21 1.130 -11.361 7.183 1.00 0.00 C ATOM 363 CG GLN A 21 0.952 -9.844 7.257 1.00 0.00 C ATOM 364 CD GLN A 21 1.071 -9.336 8.682 1.00 0.00 C ATOM 365 OE1 GLN A 21 2.155 -8.963 9.129 1.00 0.00 O ATOM 366 NE2 GLN A 21 -0.032 -9.341 9.414 1.00 0.00 N ATOM 0 H GLN A 21 -1.210 -11.810 6.533 1.00 0.00 H new ATOM 0 HA GLN A 21 1.062 -11.091 5.067 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.508 -11.848 7.933 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.163 -11.628 7.404 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.702 -9.358 6.633 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.023 -9.571 6.853 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.912 -9.658 9.008 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -0.002 -9.028 10.384 1.00 0.00 H new ATOM 375 N GLN A 22 1.023 -14.285 5.910 1.00 0.00 N ATOM 376 CA GLN A 22 1.551 -15.568 5.462 1.00 0.00 C ATOM 377 C GLN A 22 1.522 -15.600 3.931 1.00 0.00 C ATOM 378 O GLN A 22 2.564 -15.722 3.298 1.00 0.00 O ATOM 379 CB GLN A 22 0.792 -16.732 6.130 1.00 0.00 C ATOM 380 CG GLN A 22 0.816 -18.062 5.356 1.00 0.00 C ATOM 381 CD GLN A 22 2.223 -18.557 5.039 1.00 0.00 C ATOM 382 OE1 GLN A 22 3.164 -18.276 5.774 1.00 0.00 O ATOM 383 NE2 GLN A 22 2.382 -19.284 3.943 1.00 0.00 N ATOM 0 H GLN A 22 0.294 -14.350 6.621 1.00 0.00 H new ATOM 0 HA GLN A 22 2.589 -15.692 5.770 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.215 -16.899 7.120 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.246 -16.433 6.273 1.00 0.00 H new ATOM 0 HG2 GLN A 22 0.295 -18.822 5.939 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.264 -17.941 4.424 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.578 -19.500 3.353 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.308 -19.628 3.689 1.00 0.00 H new ATOM 392 N ILE A 23 0.342 -15.436 3.340 1.00 0.00 N ATOM 393 CA ILE A 23 0.138 -15.498 1.899 1.00 0.00 C ATOM 394 C ILE A 23 1.068 -14.560 1.131 1.00 0.00 C ATOM 395 O ILE A 23 1.676 -14.936 0.132 1.00 0.00 O ATOM 396 CB ILE A 23 -1.348 -15.268 1.600 1.00 0.00 C ATOM 397 CG1 ILE A 23 -2.085 -16.583 1.879 1.00 0.00 C ATOM 398 CG2 ILE A 23 -1.623 -14.819 0.159 1.00 0.00 C ATOM 399 CD1 ILE A 23 -3.430 -16.345 2.544 1.00 0.00 C ATOM 0 H ILE A 23 -0.515 -15.253 3.861 1.00 0.00 H new ATOM 0 HA ILE A 23 0.409 -16.491 1.540 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.699 -14.457 2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.232 -17.123 0.944 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.470 -17.216 2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.695 -14.676 0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.104 -13.881 -0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.266 -15.581 -0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.921 -17.301 2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.281 -15.829 3.492 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.055 -15.734 1.893 1.00 0.00 H new ATOM 411 N LEU A 24 1.206 -13.328 1.597 1.00 0.00 N ATOM 412 CA LEU A 24 2.077 -12.361 0.975 1.00 0.00 C ATOM 413 C LEU A 24 3.479 -12.942 0.870 1.00 0.00 C ATOM 414 O LEU A 24 4.102 -12.900 -0.188 1.00 0.00 O ATOM 415 CB LEU A 24 2.087 -11.076 1.806 1.00 0.00 C ATOM 416 CG LEU A 24 0.823 -10.219 1.702 1.00 0.00 C ATOM 417 CD1 LEU A 24 1.110 -8.841 2.313 1.00 0.00 C ATOM 418 CD2 LEU A 24 0.350 -10.124 0.253 1.00 0.00 C ATOM 0 H LEU A 24 0.714 -12.977 2.418 1.00 0.00 H new ATOM 0 HA LEU A 24 1.718 -12.126 -0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.241 -11.341 2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.941 -10.472 1.501 1.00 0.00 H new ATOM 0 HG LEU A 24 0.010 -10.682 2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.217 -8.220 2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.392 -8.958 3.359 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.925 -8.364 1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.549 -9.510 0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.132 -9.671 -0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.129 -11.123 -0.124 1.00 0.00 H new ATOM 430 N PHE A 25 3.985 -13.499 1.965 1.00 0.00 N ATOM 431 CA PHE A 25 5.281 -14.149 1.940 1.00 0.00 C ATOM 432 C PHE A 25 5.227 -15.414 1.072 1.00 0.00 C ATOM 433 O PHE A 25 6.200 -15.694 0.379 1.00 0.00 O ATOM 434 CB PHE A 25 5.792 -14.404 3.364 1.00 0.00 C ATOM 435 CG PHE A 25 6.332 -13.174 4.099 1.00 0.00 C ATOM 436 CD1 PHE A 25 5.509 -12.054 4.338 1.00 0.00 C ATOM 437 CD2 PHE A 25 7.597 -13.236 4.717 1.00 0.00 C ATOM 438 CE1 PHE A 25 5.882 -11.085 5.286 1.00 0.00 C ATOM 439 CE2 PHE A 25 7.982 -12.251 5.645 1.00 0.00 C ATOM 440 CZ PHE A 25 7.099 -11.210 5.976 1.00 0.00 C ATOM 0 H PHE A 25 3.518 -13.511 2.872 1.00 0.00 H new ATOM 0 HA PHE A 25 6.010 -13.486 1.475 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.979 -14.830 3.952 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.581 -15.155 3.320 1.00 0.00 H new ATOM 0 HD1 PHE A 25 4.586 -11.940 3.789 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.274 -14.043 4.477 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.233 -10.245 5.484 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.959 -12.295 6.104 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.355 -10.509 6.757 1.00 0.00 H new ATOM 450 N GLN A 26 4.110 -16.150 1.063 1.00 0.00 N ATOM 451 CA GLN A 26 4.026 -17.442 0.385 1.00 0.00 C ATOM 452 C GLN A 26 4.167 -17.220 -1.129 1.00 0.00 C ATOM 453 O GLN A 26 4.545 -18.144 -1.844 1.00 0.00 O ATOM 454 CB GLN A 26 2.763 -18.246 0.787 1.00 0.00 C ATOM 455 CG GLN A 26 1.512 -18.205 -0.095 1.00 0.00 C ATOM 456 CD GLN A 26 0.309 -18.852 0.610 1.00 0.00 C ATOM 457 OE1 GLN A 26 0.400 -19.222 1.781 1.00 0.00 O ATOM 458 NE2 GLN A 26 -0.821 -18.955 -0.078 1.00 0.00 N ATOM 0 H GLN A 26 3.245 -15.866 1.524 1.00 0.00 H new ATOM 0 HA GLN A 26 4.852 -18.075 0.710 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.060 -19.291 0.878 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.469 -17.910 1.781 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.276 -17.171 -0.346 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.709 -18.724 -1.033 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.859 -18.638 -1.047 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.652 -19.351 0.362 1.00 0.00 H new ATOM 467 N ALA A 27 3.888 -16.009 -1.621 1.00 0.00 N ATOM 468 CA ALA A 27 4.195 -15.584 -2.981 1.00 0.00 C ATOM 469 C ALA A 27 5.561 -14.900 -3.059 1.00 0.00 C ATOM 470 O ALA A 27 6.348 -15.182 -3.955 1.00 0.00 O ATOM 471 CB ALA A 27 3.096 -14.634 -3.441 1.00 0.00 C ATOM 0 H ALA A 27 3.432 -15.284 -1.068 1.00 0.00 H new ATOM 0 HA ALA A 27 4.239 -16.457 -3.632 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.304 -14.302 -4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.136 -15.150 -3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.061 -13.770 -2.777 1.00 0.00 H new ATOM 477 N TYR A 28 5.886 -13.998 -2.124 1.00 0.00 N ATOM 478 CA TYR A 28 7.179 -13.309 -2.144 1.00 0.00 C ATOM 479 C TYR A 28 8.353 -14.288 -2.136 1.00 0.00 C ATOM 480 O TYR A 28 9.459 -13.906 -2.502 1.00 0.00 O ATOM 481 CB TYR A 28 7.333 -12.319 -0.982 1.00 0.00 C ATOM 482 CG TYR A 28 8.266 -11.163 -1.300 1.00 0.00 C ATOM 483 CD1 TYR A 28 7.793 -10.094 -2.082 1.00 0.00 C ATOM 484 CD2 TYR A 28 9.631 -11.218 -0.957 1.00 0.00 C ATOM 485 CE1 TYR A 28 8.684 -9.124 -2.568 1.00 0.00 C ATOM 486 CE2 TYR A 28 10.511 -10.211 -1.398 1.00 0.00 C ATOM 487 CZ TYR A 28 10.049 -9.195 -2.251 1.00 0.00 C ATOM 488 OH TYR A 28 10.887 -8.237 -2.727 1.00 0.00 O ATOM 0 H TYR A 28 5.276 -13.731 -1.351 1.00 0.00 H new ATOM 0 HA TYR A 28 7.196 -12.749 -3.079 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.352 -11.924 -0.718 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.709 -12.851 -0.108 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.740 -10.019 -2.310 1.00 0.00 H new ATOM 0 HD2 TYR A 28 10.003 -12.034 -0.355 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.317 -8.320 -3.189 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.543 -10.220 -1.080 1.00 0.00 H new ATOM 0 HH TYR A 28 11.784 -8.614 -2.841 1.00 0.00 H new ATOM 498 N GLU A 29 8.132 -15.512 -1.666 1.00 0.00 N ATOM 499 CA GLU A 29 9.061 -16.607 -1.828 1.00 0.00 C ATOM 500 C GLU A 29 9.435 -16.728 -3.310 1.00 0.00 C ATOM 501 O GLU A 29 10.609 -16.674 -3.671 1.00 0.00 O ATOM 502 CB GLU A 29 8.367 -17.879 -1.311 1.00 0.00 C ATOM 503 CG GLU A 29 9.272 -19.114 -1.340 1.00 0.00 C ATOM 504 CD GLU A 29 8.483 -20.375 -1.065 1.00 0.00 C ATOM 505 OE1 GLU A 29 7.613 -20.338 -0.172 1.00 0.00 O ATOM 506 OE2 GLU A 29 8.593 -21.314 -1.878 1.00 0.00 O ATOM 0 H GLU A 29 7.287 -15.767 -1.155 1.00 0.00 H new ATOM 0 HA GLU A 29 9.981 -16.447 -1.267 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.027 -17.710 -0.289 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.480 -18.072 -1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.757 -19.190 -2.313 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.062 -19.007 -0.597 1.00 0.00 H new ATOM 513 N ARG A 30 8.420 -16.929 -4.151 1.00 0.00 N ATOM 514 CA ARG A 30 8.576 -17.482 -5.478 1.00 0.00 C ATOM 515 C ARG A 30 8.521 -16.393 -6.550 1.00 0.00 C ATOM 516 O ARG A 30 9.562 -15.991 -7.075 1.00 0.00 O ATOM 517 CB ARG A 30 7.594 -18.655 -5.662 1.00 0.00 C ATOM 518 CG ARG A 30 6.095 -18.333 -5.709 1.00 0.00 C ATOM 519 CD ARG A 30 5.225 -19.560 -5.401 1.00 0.00 C ATOM 520 NE ARG A 30 5.106 -19.783 -3.951 1.00 0.00 N ATOM 521 CZ ARG A 30 5.815 -20.619 -3.178 1.00 0.00 C ATOM 522 NH1 ARG A 30 6.725 -21.435 -3.707 1.00 0.00 N ATOM 523 NH2 ARG A 30 5.608 -20.598 -1.866 1.00 0.00 N ATOM 0 H ARG A 30 7.453 -16.705 -3.916 1.00 0.00 H new ATOM 0 HA ARG A 30 9.572 -17.907 -5.602 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.855 -19.168 -6.587 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.759 -19.361 -4.848 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.873 -17.543 -4.991 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.839 -17.948 -6.696 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.233 -19.422 -5.832 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.658 -20.442 -5.872 1.00 0.00 H new ATOM 0 HE ARG A 30 4.393 -19.231 -3.473 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.891 -21.430 -4.713 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.256 -22.065 -3.106 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.923 -19.956 -1.468 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.134 -21.224 -1.257 1.00 0.00 H new ATOM 537 N GLN A 31 7.336 -15.904 -6.915 1.00 0.00 N ATOM 538 CA GLN A 31 7.186 -15.052 -8.088 1.00 0.00 C ATOM 539 C GLN A 31 7.359 -13.617 -7.611 1.00 0.00 C ATOM 540 O GLN A 31 6.438 -12.810 -7.523 1.00 0.00 O ATOM 541 CB GLN A 31 5.886 -15.372 -8.836 1.00 0.00 C ATOM 542 CG GLN A 31 6.112 -15.563 -10.338 1.00 0.00 C ATOM 543 CD GLN A 31 4.850 -15.957 -11.104 1.00 0.00 C ATOM 544 OE1 GLN A 31 4.783 -15.733 -12.310 1.00 0.00 O ATOM 545 NE2 GLN A 31 3.832 -16.520 -10.467 1.00 0.00 N ATOM 0 H GLN A 31 6.467 -16.085 -6.413 1.00 0.00 H new ATOM 0 HA GLN A 31 7.947 -15.232 -8.848 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.443 -16.277 -8.420 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.171 -14.565 -8.678 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.507 -14.638 -10.758 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.871 -16.330 -10.487 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.895 -16.703 -9.466 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.986 -16.770 -10.979 1.00 0.00 H new ATOM 554 N LYS A 32 8.610 -13.300 -7.285 1.00 0.00 N ATOM 555 CA LYS A 32 8.962 -12.193 -6.419 1.00 0.00 C ATOM 556 C LYS A 32 8.710 -10.810 -7.027 1.00 0.00 C ATOM 557 O LYS A 32 9.079 -9.809 -6.413 1.00 0.00 O ATOM 558 CB LYS A 32 10.417 -12.401 -5.960 1.00 0.00 C ATOM 559 CG LYS A 32 10.667 -11.833 -4.559 1.00 0.00 C ATOM 560 CD LYS A 32 11.807 -12.593 -3.858 1.00 0.00 C ATOM 561 CE LYS A 32 13.166 -12.452 -4.547 1.00 0.00 C ATOM 562 NZ LYS A 32 13.451 -11.043 -4.865 1.00 0.00 N ATOM 0 H LYS A 32 9.419 -13.820 -7.626 1.00 0.00 H new ATOM 0 HA LYS A 32 8.296 -12.198 -5.556 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.650 -13.466 -5.966 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.092 -11.923 -6.670 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.919 -10.775 -4.630 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.756 -11.905 -3.964 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.892 -12.234 -2.832 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.546 -13.650 -3.805 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.949 -12.848 -3.900 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.178 -13.045 -5.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.477 -10.879 -4.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.102 -10.825 -5.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.976 -10.428 -4.174 1.00 0.00 H new ATOM 576 N ASN A 33 8.118 -10.721 -8.221 1.00 0.00 N ATOM 577 CA ASN A 33 7.471 -9.517 -8.720 1.00 0.00 C ATOM 578 C ASN A 33 6.112 -9.887 -9.317 1.00 0.00 C ATOM 579 O ASN A 33 5.993 -10.946 -9.923 1.00 0.00 O ATOM 580 CB ASN A 33 8.335 -8.817 -9.774 1.00 0.00 C ATOM 581 CG ASN A 33 9.228 -7.781 -9.119 1.00 0.00 C ATOM 582 OD1 ASN A 33 8.940 -6.588 -9.160 1.00 0.00 O ATOM 583 ND2 ASN A 33 10.289 -8.214 -8.461 1.00 0.00 N ATOM 0 H ASN A 33 8.077 -11.502 -8.876 1.00 0.00 H new ATOM 0 HA ASN A 33 7.335 -8.825 -7.889 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.944 -9.551 -10.301 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.697 -8.339 -10.518 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.891 -7.552 -7.972 1.00 0.00 H new ATOM 0 HD22 ASN A 33 10.506 -9.210 -8.443 1.00 0.00 H new ATOM 590 N PRO A 34 5.101 -9.017 -9.166 1.00 0.00 N ATOM 591 CA PRO A 34 3.722 -9.291 -9.541 1.00 0.00 C ATOM 592 C PRO A 34 3.564 -9.436 -11.057 1.00 0.00 C ATOM 593 O PRO A 34 3.476 -8.430 -11.759 1.00 0.00 O ATOM 594 CB PRO A 34 2.920 -8.097 -8.998 1.00 0.00 C ATOM 595 CG PRO A 34 3.933 -6.964 -8.878 1.00 0.00 C ATOM 596 CD PRO A 34 5.211 -7.718 -8.529 1.00 0.00 C ATOM 0 HA PRO A 34 3.371 -10.237 -9.129 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.106 -7.829 -9.672 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.471 -8.329 -8.032 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.031 -6.404 -9.808 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.656 -6.249 -8.103 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.090 -7.182 -8.888 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.319 -7.822 -7.449 1.00 0.00 H new ATOM 604 N SER A 35 3.508 -10.670 -11.558 1.00 0.00 N ATOM 605 CA SER A 35 3.308 -10.967 -12.966 1.00 0.00 C ATOM 606 C SER A 35 1.805 -10.952 -13.279 1.00 0.00 C ATOM 607 O SER A 35 1.216 -9.891 -13.502 1.00 0.00 O ATOM 608 CB SER A 35 3.965 -12.326 -13.244 1.00 0.00 C ATOM 609 OG SER A 35 3.489 -13.256 -12.287 1.00 0.00 O ATOM 0 H SER A 35 3.603 -11.505 -10.980 1.00 0.00 H new ATOM 0 HA SER A 35 3.767 -10.221 -13.615 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.726 -12.664 -14.253 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.050 -12.242 -13.184 1.00 0.00 H new ATOM 0 HG SER A 35 3.902 -14.130 -12.447 1.00 0.00 H new ATOM 615 N LYS A 36 1.177 -12.130 -13.269 1.00 0.00 N ATOM 616 CA LYS A 36 -0.254 -12.319 -13.443 1.00 0.00 C ATOM 617 C LYS A 36 -0.807 -12.974 -12.196 1.00 0.00 C ATOM 618 O LYS A 36 -1.195 -12.248 -11.285 1.00 0.00 O ATOM 619 CB LYS A 36 -0.570 -13.074 -14.751 1.00 0.00 C ATOM 620 CG LYS A 36 -2.018 -12.984 -15.289 1.00 0.00 C ATOM 621 CD LYS A 36 -3.166 -13.560 -14.425 1.00 0.00 C ATOM 622 CE LYS A 36 -3.839 -12.472 -13.566 1.00 0.00 C ATOM 623 NZ LYS A 36 -4.919 -12.953 -12.674 1.00 0.00 N ATOM 0 H LYS A 36 1.676 -13.009 -13.134 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.756 -11.359 -13.559 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.101 -12.703 -15.525 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.331 -14.127 -14.599 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.238 -11.932 -15.473 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.045 -13.489 -16.254 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.910 -14.024 -15.072 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.775 -14.344 -13.777 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.075 -11.988 -12.957 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.249 -11.710 -14.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.263 -12.165 -12.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.702 -13.327 -13.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.551 -13.706 -12.058 1.00 0.00 H new ATOM 637 N GLU A 37 -0.901 -14.302 -12.167 1.00 0.00 N ATOM 638 CA GLU A 37 -1.811 -14.916 -11.244 1.00 0.00 C ATOM 639 C GLU A 37 -1.406 -14.604 -9.814 1.00 0.00 C ATOM 640 O GLU A 37 -2.240 -14.130 -9.058 1.00 0.00 O ATOM 641 CB GLU A 37 -1.975 -16.412 -11.546 1.00 0.00 C ATOM 642 CG GLU A 37 -3.447 -16.791 -11.791 1.00 0.00 C ATOM 643 CD GLU A 37 -4.393 -16.072 -10.843 1.00 0.00 C ATOM 644 OE1 GLU A 37 -4.300 -16.326 -9.628 1.00 0.00 O ATOM 645 OE2 GLU A 37 -5.074 -15.153 -11.357 1.00 0.00 O ATOM 0 H GLU A 37 -0.371 -14.943 -12.757 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.806 -14.489 -11.371 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.382 -16.672 -12.423 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.584 -16.995 -10.713 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.715 -16.551 -12.820 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.567 -17.868 -11.673 1.00 0.00 H new ATOM 652 N GLU A 38 -0.111 -14.756 -9.522 1.00 0.00 N ATOM 653 CA GLU A 38 0.512 -14.521 -8.225 1.00 0.00 C ATOM 654 C GLU A 38 -0.238 -13.433 -7.451 1.00 0.00 C ATOM 655 O GLU A 38 -0.718 -13.651 -6.345 1.00 0.00 O ATOM 656 CB GLU A 38 1.983 -14.113 -8.434 1.00 0.00 C ATOM 657 CG GLU A 38 2.805 -14.286 -7.148 1.00 0.00 C ATOM 658 CD GLU A 38 3.435 -15.667 -7.000 1.00 0.00 C ATOM 659 OE1 GLU A 38 3.095 -16.554 -7.810 1.00 0.00 O ATOM 660 OE2 GLU A 38 4.334 -15.789 -6.144 1.00 0.00 O ATOM 0 H GLU A 38 0.563 -15.063 -10.224 1.00 0.00 H new ATOM 0 HA GLU A 38 0.470 -15.439 -7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.419 -14.717 -9.230 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.030 -13.074 -8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 38 3.593 -13.533 -7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.162 -14.097 -6.289 1.00 0.00 H new ATOM 667 N ARG A 39 -0.355 -12.254 -8.066 1.00 0.00 N ATOM 668 CA ARG A 39 -1.049 -11.112 -7.506 1.00 0.00 C ATOM 669 C ARG A 39 -2.461 -11.450 -7.054 1.00 0.00 C ATOM 670 O ARG A 39 -2.852 -11.194 -5.916 1.00 0.00 O ATOM 671 CB ARG A 39 -1.241 -10.058 -8.610 1.00 0.00 C ATOM 672 CG ARG A 39 -0.006 -9.377 -9.190 1.00 0.00 C ATOM 673 CD ARG A 39 -0.193 -9.158 -10.704 1.00 0.00 C ATOM 674 NE ARG A 39 -1.571 -8.773 -11.083 1.00 0.00 N ATOM 675 CZ ARG A 39 -1.967 -8.464 -12.324 1.00 0.00 C ATOM 676 NH1 ARG A 39 -1.083 -8.443 -13.328 1.00 0.00 N ATOM 677 NH2 ARG A 39 -3.246 -8.176 -12.547 1.00 0.00 N ATOM 0 H ARG A 39 0.042 -12.072 -8.988 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.448 -10.772 -6.662 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.774 -10.534 -9.433 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.894 -9.280 -8.215 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.161 -8.421 -8.693 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.877 -9.989 -9.008 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.496 -8.383 -11.038 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.077 -10.073 -11.231 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.272 -8.741 -10.343 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.103 -8.663 -13.149 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.389 -8.207 -14.272 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.914 -8.192 -11.777 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.559 -7.939 -13.489 1.00 0.00 H new ATOM 691 N GLU A 40 -3.246 -11.864 -8.037 1.00 0.00 N ATOM 692 CA GLU A 40 -4.685 -11.867 -7.968 1.00 0.00 C ATOM 693 C GLU A 40 -5.026 -12.964 -6.956 1.00 0.00 C ATOM 694 O GLU A 40 -5.892 -12.790 -6.103 1.00 0.00 O ATOM 695 CB GLU A 40 -5.217 -12.147 -9.370 1.00 0.00 C ATOM 696 CG GLU A 40 -5.953 -10.940 -9.976 1.00 0.00 C ATOM 697 CD GLU A 40 -4.981 -10.121 -10.812 1.00 0.00 C ATOM 698 OE1 GLU A 40 -4.196 -9.297 -10.289 1.00 0.00 O ATOM 699 OE2 GLU A 40 -4.949 -10.385 -12.032 1.00 0.00 O ATOM 0 H GLU A 40 -2.883 -12.214 -8.924 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.133 -10.926 -7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.388 -12.426 -10.020 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.895 -13.000 -9.334 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.784 -11.280 -10.594 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.377 -10.323 -9.183 1.00 0.00 H new ATOM 706 N THR A 41 -4.245 -14.041 -7.012 1.00 0.00 N ATOM 707 CA THR A 41 -4.197 -15.129 -6.075 1.00 0.00 C ATOM 708 C THR A 41 -4.134 -14.559 -4.661 1.00 0.00 C ATOM 709 O THR A 41 -4.967 -14.930 -3.853 1.00 0.00 O ATOM 710 CB THR A 41 -3.010 -16.044 -6.452 1.00 0.00 C ATOM 711 OG1 THR A 41 -3.481 -17.186 -7.137 1.00 0.00 O ATOM 712 CG2 THR A 41 -2.083 -16.433 -5.298 1.00 0.00 C ATOM 0 H THR A 41 -3.584 -14.172 -7.778 1.00 0.00 H new ATOM 0 HA THR A 41 -5.092 -15.750 -6.110 1.00 0.00 H new ATOM 0 HB THR A 41 -2.378 -15.444 -7.106 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.786 -16.928 -8.032 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.286 -17.075 -5.672 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.650 -15.534 -4.860 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.653 -16.968 -4.538 1.00 0.00 H new ATOM 720 N LEU A 42 -3.232 -13.628 -4.326 1.00 0.00 N ATOM 721 CA LEU A 42 -3.276 -13.005 -3.023 1.00 0.00 C ATOM 722 C LEU A 42 -4.612 -12.391 -2.661 1.00 0.00 C ATOM 723 O LEU A 42 -5.048 -12.523 -1.518 1.00 0.00 O ATOM 724 CB LEU A 42 -2.147 -12.012 -2.765 1.00 0.00 C ATOM 725 CG LEU A 42 -0.825 -12.177 -3.500 1.00 0.00 C ATOM 726 CD1 LEU A 42 0.110 -10.997 -3.259 1.00 0.00 C ATOM 727 CD2 LEU A 42 -0.143 -13.406 -2.909 1.00 0.00 C ATOM 0 H LEU A 42 -2.481 -13.303 -4.935 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.125 -13.852 -2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.527 -11.017 -2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.932 -12.031 -1.697 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.024 -12.256 -4.569 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.042 -11.155 -3.801 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.363 -10.080 -3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.321 -10.911 -2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.814 -13.566 -3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.024 -13.252 -1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.778 -14.280 -3.055 1.00 0.00 H new ATOM 739 N VAL A 43 -5.231 -11.665 -3.590 1.00 0.00 N ATOM 740 CA VAL A 43 -6.537 -11.115 -3.291 1.00 0.00 C ATOM 741 C VAL A 43 -7.497 -12.270 -2.985 1.00 0.00 C ATOM 742 O VAL A 43 -8.243 -12.186 -2.016 1.00 0.00 O ATOM 743 CB VAL A 43 -7.071 -10.181 -4.392 1.00 0.00 C ATOM 744 CG1 VAL A 43 -8.235 -9.412 -3.756 1.00 0.00 C ATOM 745 CG2 VAL A 43 -6.051 -9.152 -4.896 1.00 0.00 C ATOM 0 H VAL A 43 -4.863 -11.454 -4.517 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.450 -10.475 -2.413 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.343 -10.790 -5.254 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.662 -8.727 -4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.000 -10.116 -3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.872 -8.846 -2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.508 -8.535 -5.669 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.733 -8.519 -4.068 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.186 -9.670 -5.310 1.00 0.00 H new ATOM 755 N GLU A 44 -7.453 -13.339 -3.780 1.00 0.00 N ATOM 756 CA GLU A 44 -8.285 -14.522 -3.608 1.00 0.00 C ATOM 757 C GLU A 44 -8.056 -15.146 -2.224 1.00 0.00 C ATOM 758 O GLU A 44 -8.934 -15.168 -1.373 1.00 0.00 O ATOM 759 CB GLU A 44 -7.975 -15.532 -4.733 1.00 0.00 C ATOM 760 CG GLU A 44 -9.240 -16.159 -5.320 1.00 0.00 C ATOM 761 CD GLU A 44 -10.206 -16.636 -4.245 1.00 0.00 C ATOM 762 OE1 GLU A 44 -9.911 -17.695 -3.648 1.00 0.00 O ATOM 763 OE2 GLU A 44 -11.184 -15.911 -3.982 1.00 0.00 O ATOM 0 H GLU A 44 -6.822 -13.404 -4.579 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.336 -14.238 -3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.421 -15.030 -5.526 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.330 -16.319 -4.343 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.741 -15.430 -5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.964 -17.001 -5.955 1.00 0.00 H new ATOM 770 N GLU A 45 -6.842 -15.637 -1.993 1.00 0.00 N ATOM 771 CA GLU A 45 -6.415 -16.378 -0.815 1.00 0.00 C ATOM 772 C GLU A 45 -6.784 -15.516 0.404 1.00 0.00 C ATOM 773 O GLU A 45 -7.384 -15.990 1.368 1.00 0.00 O ATOM 774 CB GLU A 45 -4.899 -16.615 -0.929 1.00 0.00 C ATOM 775 CG GLU A 45 -4.446 -18.073 -1.122 1.00 0.00 C ATOM 776 CD GLU A 45 -4.557 -18.955 0.112 1.00 0.00 C ATOM 777 OE1 GLU A 45 -5.707 -19.332 0.428 1.00 0.00 O ATOM 778 OE2 GLU A 45 -3.485 -19.286 0.659 1.00 0.00 O ATOM 0 H GLU A 45 -6.085 -15.520 -2.666 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.896 -17.352 -0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.524 -16.027 -1.767 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.424 -16.226 -0.028 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.039 -18.518 -1.921 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.409 -18.073 -1.457 1.00 0.00 H new ATOM 785 N CYS A 46 -6.480 -14.212 0.340 1.00 0.00 N ATOM 786 CA CYS A 46 -6.855 -13.284 1.398 1.00 0.00 C ATOM 787 C CYS A 46 -8.368 -13.260 1.591 1.00 0.00 C ATOM 788 O CYS A 46 -8.858 -13.468 2.699 1.00 0.00 O ATOM 789 CB CYS A 46 -6.435 -11.844 1.085 1.00 0.00 C ATOM 790 SG CYS A 46 -7.040 -10.845 2.468 1.00 0.00 S ATOM 0 H CYS A 46 -5.976 -13.783 -0.436 1.00 0.00 H new ATOM 0 HA CYS A 46 -6.343 -13.638 2.293 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -5.352 -11.764 0.989 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -6.865 -11.507 0.142 1.00 0.00 H new ATOM 0 HG CYS A 46 -6.062 -10.605 3.290 1.00 0.00 H new ATOM 796 N ASN A 47 -9.090 -12.951 0.511 1.00 0.00 N ATOM 797 CA ASN A 47 -10.537 -12.789 0.467 1.00 0.00 C ATOM 798 C ASN A 47 -11.168 -13.982 1.156 1.00 0.00 C ATOM 799 O ASN A 47 -11.821 -13.839 2.182 1.00 0.00 O ATOM 800 CB ASN A 47 -11.056 -12.712 -0.986 1.00 0.00 C ATOM 801 CG ASN A 47 -11.178 -11.314 -1.578 1.00 0.00 C ATOM 802 OD1 ASN A 47 -11.077 -10.297 -0.897 1.00 0.00 O ATOM 803 ND2 ASN A 47 -11.451 -11.256 -2.877 1.00 0.00 N ATOM 0 H ASN A 47 -8.655 -12.801 -0.399 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.802 -11.857 0.967 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.390 -13.297 -1.620 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.035 -13.189 -1.027 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -11.582 -10.352 -3.331 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.530 -12.116 -3.420 1.00 0.00 H new ATOM 810 N ARG A 48 -10.927 -15.154 0.585 1.00 0.00 N ATOM 811 CA ARG A 48 -11.335 -16.479 0.995 1.00 0.00 C ATOM 812 C ARG A 48 -11.106 -16.623 2.498 1.00 0.00 C ATOM 813 O ARG A 48 -12.042 -16.805 3.279 1.00 0.00 O ATOM 814 CB ARG A 48 -10.459 -17.420 0.148 1.00 0.00 C ATOM 815 CG ARG A 48 -10.572 -18.928 0.376 1.00 0.00 C ATOM 816 CD ARG A 48 -9.300 -19.596 -0.179 1.00 0.00 C ATOM 817 NE ARG A 48 -9.017 -19.211 -1.580 1.00 0.00 N ATOM 818 CZ ARG A 48 -7.933 -19.594 -2.273 1.00 0.00 C ATOM 819 NH1 ARG A 48 -6.947 -20.261 -1.672 1.00 0.00 N ATOM 820 NH2 ARG A 48 -7.852 -19.314 -3.573 1.00 0.00 N ATOM 0 H ARG A 48 -10.378 -15.197 -0.274 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.390 -16.701 0.836 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.683 -17.226 -0.901 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.419 -17.138 0.309 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -10.682 -19.144 1.439 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.457 -19.323 -0.123 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -8.450 -19.325 0.447 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -9.408 -20.679 -0.119 1.00 0.00 H new ATOM 0 HE ARG A 48 -9.694 -18.612 -2.053 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.013 -20.484 -0.679 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.127 -20.549 -2.206 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.610 -18.812 -4.035 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.032 -19.602 -4.106 1.00 0.00 H new ATOM 834 N ALA A 49 -9.848 -16.510 2.914 1.00 0.00 N ATOM 835 CA ALA A 49 -9.476 -16.755 4.297 1.00 0.00 C ATOM 836 C ALA A 49 -10.176 -15.777 5.241 1.00 0.00 C ATOM 837 O ALA A 49 -10.624 -16.150 6.326 1.00 0.00 O ATOM 838 CB ALA A 49 -7.958 -16.668 4.462 1.00 0.00 C ATOM 0 H ALA A 49 -9.070 -16.249 2.309 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.800 -17.762 4.561 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.694 -16.854 5.503 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.480 -17.414 3.828 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.617 -15.674 4.173 1.00 0.00 H new ATOM 844 N GLU A 50 -10.243 -14.500 4.874 1.00 0.00 N ATOM 845 CA GLU A 50 -10.759 -13.478 5.764 1.00 0.00 C ATOM 846 C GLU A 50 -12.294 -13.537 5.776 1.00 0.00 C ATOM 847 O GLU A 50 -12.923 -13.231 6.792 1.00 0.00 O ATOM 848 CB GLU A 50 -10.117 -12.121 5.430 1.00 0.00 C ATOM 849 CG GLU A 50 -10.074 -11.149 6.628 1.00 0.00 C ATOM 850 CD GLU A 50 -8.673 -10.657 6.945 1.00 0.00 C ATOM 851 OE1 GLU A 50 -7.884 -11.425 7.541 1.00 0.00 O ATOM 852 OE2 GLU A 50 -8.384 -9.487 6.640 1.00 0.00 O ATOM 0 H GLU A 50 -9.944 -14.153 3.963 1.00 0.00 H new ATOM 0 HA GLU A 50 -10.474 -13.653 6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.102 -12.287 5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.672 -11.656 4.615 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.714 -10.293 6.417 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.486 -11.646 7.506 1.00 0.00 H new ATOM 859 N CYS A 51 -12.904 -14.002 4.684 1.00 0.00 N ATOM 860 CA CYS A 51 -14.325 -14.328 4.642 1.00 0.00 C ATOM 861 C CYS A 51 -14.646 -15.338 5.730 1.00 0.00 C ATOM 862 O CYS A 51 -15.610 -15.144 6.463 1.00 0.00 O ATOM 863 CB CYS A 51 -14.818 -14.775 3.256 1.00 0.00 C ATOM 864 SG CYS A 51 -15.588 -16.421 3.257 1.00 0.00 S ATOM 0 H CYS A 51 -12.420 -14.163 3.800 1.00 0.00 H new ATOM 0 HA CYS A 51 -14.879 -13.410 4.838 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -15.537 -14.046 2.883 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -13.977 -14.776 2.563 1.00 0.00 H new ATOM 0 HG CYS A 51 -16.825 -16.321 3.645 1.00 0.00 H new ATOM 870 N ILE A 52 -13.823 -16.374 5.875 1.00 0.00 N ATOM 871 CA ILE A 52 -14.030 -17.405 6.873 1.00 0.00 C ATOM 872 C ILE A 52 -13.844 -16.748 8.235 1.00 0.00 C ATOM 873 O ILE A 52 -14.724 -16.814 9.092 1.00 0.00 O ATOM 874 CB ILE A 52 -13.056 -18.569 6.592 1.00 0.00 C ATOM 875 CG1 ILE A 52 -13.531 -19.325 5.337 1.00 0.00 C ATOM 876 CG2 ILE A 52 -12.904 -19.517 7.789 1.00 0.00 C ATOM 877 CD1 ILE A 52 -12.507 -20.342 4.823 1.00 0.00 C ATOM 0 H ILE A 52 -12.993 -16.517 5.299 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.030 -17.838 6.847 1.00 0.00 H new ATOM 0 HB ILE A 52 -12.065 -18.151 6.418 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.464 -19.841 5.563 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -13.747 -18.606 4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -12.208 -20.316 7.534 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -12.522 -18.962 8.646 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -13.874 -19.947 8.038 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -12.902 -20.840 3.938 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -11.581 -19.828 4.567 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -12.309 -21.082 5.598 1.00 0.00 H new ATOM 889 N GLN A 53 -12.717 -16.057 8.414 1.00 0.00 N ATOM 890 CA GLN A 53 -12.409 -15.398 9.680 1.00 0.00 C ATOM 891 C GLN A 53 -13.572 -14.544 10.182 1.00 0.00 C ATOM 892 O GLN A 53 -13.769 -14.444 11.394 1.00 0.00 O ATOM 893 CB GLN A 53 -11.190 -14.482 9.557 1.00 0.00 C ATOM 894 CG GLN A 53 -9.866 -15.249 9.480 1.00 0.00 C ATOM 895 CD GLN A 53 -8.739 -14.246 9.294 1.00 0.00 C ATOM 896 OE1 GLN A 53 -8.350 -13.574 10.249 1.00 0.00 O ATOM 897 NE2 GLN A 53 -8.264 -14.066 8.074 1.00 0.00 N ATOM 0 H GLN A 53 -12.002 -15.940 7.696 1.00 0.00 H new ATOM 0 HA GLN A 53 -12.209 -16.204 10.386 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -11.297 -13.863 8.666 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.163 -13.807 10.412 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.711 -15.829 10.390 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.885 -15.956 8.650 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.607 -14.639 7.303 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.554 -13.354 7.903 1.00 0.00 H new ATOM 906 N ARG A 54 -14.255 -13.839 9.281 1.00 0.00 N ATOM 907 CA ARG A 54 -15.238 -12.828 9.636 1.00 0.00 C ATOM 908 C ARG A 54 -16.647 -13.250 9.214 1.00 0.00 C ATOM 909 O ARG A 54 -17.537 -12.398 9.171 1.00 0.00 O ATOM 910 CB ARG A 54 -14.812 -11.515 8.977 1.00 0.00 C ATOM 911 CG ARG A 54 -13.437 -11.057 9.497 1.00 0.00 C ATOM 912 CD ARG A 54 -12.870 -9.982 8.573 1.00 0.00 C ATOM 913 NE ARG A 54 -13.847 -8.913 8.364 1.00 0.00 N ATOM 914 CZ ARG A 54 -13.983 -7.802 9.100 1.00 0.00 C ATOM 915 NH1 ARG A 54 -13.220 -7.575 10.170 1.00 0.00 N ATOM 916 NH2 ARG A 54 -14.904 -6.912 8.744 1.00 0.00 N ATOM 0 H ARG A 54 -14.137 -13.958 8.275 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.276 -12.700 10.718 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.771 -11.643 7.895 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.556 -10.745 9.179 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.532 -10.666 10.510 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.755 -11.906 9.545 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.958 -9.569 9.004 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.598 -10.425 7.615 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.489 -9.025 7.579 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -12.512 -8.256 10.445 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.344 -6.721 10.713 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.489 -7.083 7.926 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.026 -6.059 9.289 1.00 0.00 H new ATOM 930 N GLY A 55 -16.833 -14.538 8.910 1.00 0.00 N ATOM 931 CA GLY A 55 -18.056 -15.115 8.378 1.00 0.00 C ATOM 932 C GLY A 55 -18.760 -14.197 7.381 1.00 0.00 C ATOM 933 O GLY A 55 -19.973 -14.003 7.462 1.00 0.00 O ATOM 0 H GLY A 55 -16.097 -15.233 9.037 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.823 -16.062 7.891 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -18.735 -15.338 9.201 1.00 0.00 H new ATOM 937 N VAL A 56 -18.013 -13.646 6.423 1.00 0.00 N ATOM 938 CA VAL A 56 -18.613 -13.012 5.263 1.00 0.00 C ATOM 939 C VAL A 56 -19.032 -14.130 4.316 1.00 0.00 C ATOM 940 O VAL A 56 -18.421 -15.197 4.280 1.00 0.00 O ATOM 941 CB VAL A 56 -17.642 -12.035 4.573 1.00 0.00 C ATOM 942 CG1 VAL A 56 -18.282 -11.298 3.389 1.00 0.00 C ATOM 943 CG2 VAL A 56 -17.201 -10.929 5.517 1.00 0.00 C ATOM 0 H VAL A 56 -16.993 -13.629 6.433 1.00 0.00 H new ATOM 0 HA VAL A 56 -19.472 -12.413 5.565 1.00 0.00 H new ATOM 0 HB VAL A 56 -16.813 -12.663 4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -17.551 -10.624 2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -18.610 -12.023 2.644 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -19.140 -10.723 3.739 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -16.517 -10.258 4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -18.073 -10.368 5.853 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -16.696 -11.366 6.379 1.00 0.00 H new ATOM 953 N SER A 57 -20.069 -13.864 3.537 1.00 0.00 N ATOM 954 CA SER A 57 -20.457 -14.645 2.377 1.00 0.00 C ATOM 955 C SER A 57 -19.202 -14.886 1.519 1.00 0.00 C ATOM 956 O SER A 57 -18.556 -13.897 1.177 1.00 0.00 O ATOM 957 CB SER A 57 -21.454 -13.781 1.598 1.00 0.00 C ATOM 958 OG SER A 57 -22.753 -14.338 1.599 1.00 0.00 O ATOM 0 H SER A 57 -20.685 -13.068 3.703 1.00 0.00 H new ATOM 0 HA SER A 57 -20.896 -15.605 2.648 1.00 0.00 H new ATOM 0 HB2 SER A 57 -21.487 -12.783 2.035 1.00 0.00 H new ATOM 0 HB3 SER A 57 -21.109 -13.667 0.570 1.00 0.00 H new ATOM 0 HG SER A 57 -23.359 -13.756 1.094 1.00 0.00 H new ATOM 964 N PRO A 58 -18.850 -16.113 1.107 1.00 0.00 N ATOM 965 CA PRO A 58 -17.739 -16.305 0.182 1.00 0.00 C ATOM 966 C PRO A 58 -17.993 -15.513 -1.103 1.00 0.00 C ATOM 967 O PRO A 58 -17.137 -14.785 -1.596 1.00 0.00 O ATOM 968 CB PRO A 58 -17.648 -17.816 -0.053 1.00 0.00 C ATOM 969 CG PRO A 58 -19.052 -18.329 0.278 1.00 0.00 C ATOM 970 CD PRO A 58 -19.533 -17.369 1.369 1.00 0.00 C ATOM 0 HA PRO A 58 -16.791 -15.937 0.574 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -17.373 -18.044 -1.083 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -16.894 -18.275 0.587 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.705 -18.305 -0.595 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.030 -19.360 0.631 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -20.615 -17.243 1.332 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -19.290 -17.749 2.361 1.00 0.00 H new ATOM 978 N SER A 59 -19.231 -15.569 -1.586 1.00 0.00 N ATOM 979 CA SER A 59 -19.722 -14.811 -2.723 1.00 0.00 C ATOM 980 C SER A 59 -19.625 -13.289 -2.532 1.00 0.00 C ATOM 981 O SER A 59 -19.872 -12.545 -3.478 1.00 0.00 O ATOM 982 CB SER A 59 -21.171 -15.250 -2.959 1.00 0.00 C ATOM 983 OG SER A 59 -21.804 -15.523 -1.712 1.00 0.00 O ATOM 0 H SER A 59 -19.946 -16.170 -1.176 1.00 0.00 H new ATOM 0 HA SER A 59 -19.095 -15.020 -3.590 1.00 0.00 H new ATOM 0 HB2 SER A 59 -21.715 -14.469 -3.490 1.00 0.00 H new ATOM 0 HB3 SER A 59 -21.193 -16.138 -3.590 1.00 0.00 H new ATOM 0 HG SER A 59 -22.730 -15.801 -1.869 1.00 0.00 H new ATOM 989 N GLN A 60 -19.310 -12.809 -1.327 1.00 0.00 N ATOM 990 CA GLN A 60 -19.067 -11.405 -1.044 1.00 0.00 C ATOM 991 C GLN A 60 -17.742 -11.254 -0.303 1.00 0.00 C ATOM 992 O GLN A 60 -17.584 -10.322 0.482 1.00 0.00 O ATOM 993 CB GLN A 60 -20.208 -10.826 -0.193 1.00 0.00 C ATOM 994 CG GLN A 60 -21.608 -11.001 -0.798 1.00 0.00 C ATOM 995 CD GLN A 60 -22.686 -10.513 0.167 1.00 0.00 C ATOM 996 OE1 GLN A 60 -22.389 -9.980 1.232 1.00 0.00 O ATOM 997 NE2 GLN A 60 -23.952 -10.696 -0.185 1.00 0.00 N ATOM 0 H GLN A 60 -19.216 -13.406 -0.505 1.00 0.00 H new ATOM 0 HA GLN A 60 -19.021 -10.858 -1.986 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -20.189 -11.300 0.788 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -20.024 -9.763 -0.037 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -21.675 -10.447 -1.734 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -21.776 -12.051 -1.036 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -24.175 -11.141 -1.075 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -24.703 -10.391 0.435 1.00 0.00 H new ATOM 1006 N ALA A 61 -16.777 -12.141 -0.550 1.00 0.00 N ATOM 1007 CA ALA A 61 -15.514 -12.088 0.174 1.00 0.00 C ATOM 1008 C ALA A 61 -14.791 -10.773 -0.073 1.00 0.00 C ATOM 1009 O ALA A 61 -14.036 -10.326 0.780 1.00 0.00 O ATOM 1010 CB ALA A 61 -14.596 -13.252 -0.160 1.00 0.00 C ATOM 0 H ALA A 61 -16.847 -12.893 -1.236 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.769 -12.163 1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.670 -13.160 0.408 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.089 -14.190 0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.369 -13.242 -1.226 1.00 0.00 H new ATOM 1016 N GLN A 62 -15.090 -10.086 -1.174 1.00 0.00 N ATOM 1017 CA GLN A 62 -14.677 -8.707 -1.379 1.00 0.00 C ATOM 1018 C GLN A 62 -15.425 -7.715 -0.455 1.00 0.00 C ATOM 1019 O GLN A 62 -15.710 -6.585 -0.856 1.00 0.00 O ATOM 1020 CB GLN A 62 -14.792 -8.349 -2.870 1.00 0.00 C ATOM 1021 CG GLN A 62 -13.742 -7.356 -3.396 1.00 0.00 C ATOM 1022 CD GLN A 62 -12.317 -7.905 -3.440 1.00 0.00 C ATOM 1023 OE1 GLN A 62 -12.000 -8.780 -4.240 1.00 0.00 O ATOM 1024 NE2 GLN A 62 -11.424 -7.363 -2.626 1.00 0.00 N ATOM 0 H GLN A 62 -15.627 -10.475 -1.949 1.00 0.00 H new ATOM 0 HA GLN A 62 -13.630 -8.614 -1.091 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -14.722 -9.268 -3.453 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -15.783 -7.932 -3.050 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -14.028 -7.042 -4.400 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -13.756 -6.466 -2.768 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.708 -6.637 -1.968 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.452 -7.672 -2.657 1.00 0.00 H new ATOM 1033 N GLY A 63 -15.732 -8.101 0.785 1.00 0.00 N ATOM 1034 CA GLY A 63 -16.442 -7.309 1.773 1.00 0.00 C ATOM 1035 C GLY A 63 -15.439 -6.818 2.809 1.00 0.00 C ATOM 1036 O GLY A 63 -14.933 -5.700 2.703 1.00 0.00 O ATOM 0 H GLY A 63 -15.476 -9.023 1.138 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -16.938 -6.464 1.296 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -17.219 -7.906 2.251 1.00 0.00 H new ATOM 1040 N LEU A 64 -15.151 -7.683 3.787 1.00 0.00 N ATOM 1041 CA LEU A 64 -14.157 -7.569 4.853 1.00 0.00 C ATOM 1042 C LEU A 64 -14.084 -6.197 5.526 1.00 0.00 C ATOM 1043 O LEU A 64 -13.037 -5.840 6.071 1.00 0.00 O ATOM 1044 CB LEU A 64 -12.782 -8.010 4.355 1.00 0.00 C ATOM 1045 CG LEU A 64 -12.808 -9.311 3.555 1.00 0.00 C ATOM 1046 CD1 LEU A 64 -11.405 -9.551 2.991 1.00 0.00 C ATOM 1047 CD2 LEU A 64 -13.263 -10.517 4.373 1.00 0.00 C ATOM 0 H LEU A 64 -15.659 -8.565 3.856 1.00 0.00 H new ATOM 0 HA LEU A 64 -14.499 -8.245 5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.360 -7.220 3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.118 -8.133 5.210 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.542 -9.201 2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.398 -10.476 2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -11.125 -8.719 2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.692 -9.629 3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -13.258 -11.407 3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.585 -10.663 5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -14.272 -10.343 4.747 1.00 0.00 H new ATOM 1059 N GLY A 65 -15.184 -5.445 5.527 1.00 0.00 N ATOM 1060 CA GLY A 65 -15.292 -4.049 5.926 1.00 0.00 C ATOM 1061 C GLY A 65 -13.980 -3.257 5.892 1.00 0.00 C ATOM 1062 O GLY A 65 -13.658 -2.637 4.877 1.00 0.00 O ATOM 0 H GLY A 65 -16.082 -5.824 5.228 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -16.012 -3.556 5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.697 -4.007 6.937 1.00 0.00 H new ATOM 1066 N SER A 66 -13.245 -3.217 7.008 1.00 0.00 N ATOM 1067 CA SER A 66 -12.094 -2.341 7.210 1.00 0.00 C ATOM 1068 C SER A 66 -10.752 -3.053 6.973 1.00 0.00 C ATOM 1069 O SER A 66 -9.706 -2.601 7.439 1.00 0.00 O ATOM 1070 CB SER A 66 -12.182 -1.730 8.613 1.00 0.00 C ATOM 1071 OG SER A 66 -11.279 -0.648 8.728 1.00 0.00 O ATOM 0 H SER A 66 -13.442 -3.809 7.815 1.00 0.00 H new ATOM 0 HA SER A 66 -12.127 -1.546 6.465 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.199 -1.388 8.806 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.953 -2.487 9.363 1.00 0.00 H new ATOM 0 HG SER A 66 -10.454 -0.858 8.243 1.00 0.00 H new ATOM 1077 N ASN A 67 -10.769 -4.208 6.316 1.00 0.00 N ATOM 1078 CA ASN A 67 -9.588 -5.035 6.060 1.00 0.00 C ATOM 1079 C ASN A 67 -9.316 -5.101 4.573 1.00 0.00 C ATOM 1080 O ASN A 67 -8.170 -5.215 4.153 1.00 0.00 O ATOM 1081 CB ASN A 67 -9.821 -6.455 6.577 1.00 0.00 C ATOM 1082 CG ASN A 67 -10.064 -6.446 8.072 1.00 0.00 C ATOM 1083 OD1 ASN A 67 -9.144 -6.611 8.867 1.00 0.00 O ATOM 1084 ND2 ASN A 67 -11.284 -6.112 8.464 1.00 0.00 N ATOM 0 H ASN A 67 -11.626 -4.608 5.935 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.736 -4.589 6.574 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -10.677 -6.897 6.067 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.956 -7.078 6.348 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.484 -5.983 9.456 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -12.024 -5.983 7.774 1.00 0.00 H new ATOM 1091 N LEU A 68 -10.400 -5.038 3.799 1.00 0.00 N ATOM 1092 CA LEU A 68 -10.480 -5.431 2.411 1.00 0.00 C ATOM 1093 C LEU A 68 -9.213 -5.183 1.612 1.00 0.00 C ATOM 1094 O LEU A 68 -8.778 -4.046 1.406 1.00 0.00 O ATOM 1095 CB LEU A 68 -11.656 -4.712 1.779 1.00 0.00 C ATOM 1096 CG LEU A 68 -11.935 -5.197 0.357 1.00 0.00 C ATOM 1097 CD1 LEU A 68 -12.435 -6.645 0.354 1.00 0.00 C ATOM 1098 CD2 LEU A 68 -12.969 -4.244 -0.235 1.00 0.00 C ATOM 0 H LEU A 68 -11.291 -4.690 4.154 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.616 -6.512 2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.544 -4.863 2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.458 -3.640 1.763 1.00 0.00 H new ATOM 0 HG LEU A 68 -11.024 -5.193 -0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.625 -6.962 -0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.679 -7.292 0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -13.357 -6.713 0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.203 -4.549 -1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.876 -4.270 0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.568 -3.231 -0.243 1.00 0.00 H new ATOM 1110 N VAL A 69 -8.670 -6.285 1.123 1.00 0.00 N ATOM 1111 CA VAL A 69 -7.542 -6.304 0.229 1.00 0.00 C ATOM 1112 C VAL A 69 -8.087 -6.166 -1.185 1.00 0.00 C ATOM 1113 O VAL A 69 -8.861 -7.001 -1.639 1.00 0.00 O ATOM 1114 CB VAL A 69 -6.773 -7.615 0.424 1.00 0.00 C ATOM 1115 CG1 VAL A 69 -5.604 -7.682 -0.559 1.00 0.00 C ATOM 1116 CG2 VAL A 69 -6.243 -7.689 1.863 1.00 0.00 C ATOM 0 H VAL A 69 -9.019 -7.217 1.349 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.847 -5.488 0.425 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.442 -8.455 0.240 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.061 -8.616 -0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.984 -7.636 -1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.932 -6.842 -0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.696 -8.622 2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.577 -6.846 2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.079 -7.652 2.561 1.00 0.00 H new ATOM 1126 N THR A 70 -7.703 -5.097 -1.868 1.00 0.00 N ATOM 1127 CA THR A 70 -7.983 -4.882 -3.270 1.00 0.00 C ATOM 1128 C THR A 70 -6.694 -4.965 -4.090 1.00 0.00 C ATOM 1129 O THR A 70 -5.600 -4.978 -3.524 1.00 0.00 O ATOM 1130 CB THR A 70 -8.713 -3.538 -3.370 1.00 0.00 C ATOM 1131 OG1 THR A 70 -8.087 -2.515 -2.603 1.00 0.00 O ATOM 1132 CG2 THR A 70 -10.106 -3.766 -2.774 1.00 0.00 C ATOM 0 H THR A 70 -7.172 -4.336 -1.444 1.00 0.00 H new ATOM 0 HA THR A 70 -8.625 -5.655 -3.693 1.00 0.00 H new ATOM 0 HB THR A 70 -8.720 -3.216 -4.411 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.589 -1.679 -2.701 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.677 -2.838 -2.817 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.624 -4.538 -3.344 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.010 -4.085 -1.736 1.00 0.00 H new ATOM 1140 N GLU A 71 -6.824 -5.006 -5.419 1.00 0.00 N ATOM 1141 CA GLU A 71 -5.736 -5.025 -6.391 1.00 0.00 C ATOM 1142 C GLU A 71 -4.622 -4.074 -5.943 1.00 0.00 C ATOM 1143 O GLU A 71 -3.452 -4.423 -5.839 1.00 0.00 O ATOM 1144 CB GLU A 71 -6.295 -4.433 -7.683 1.00 0.00 C ATOM 1145 CG GLU A 71 -7.261 -5.315 -8.470 1.00 0.00 C ATOM 1146 CD GLU A 71 -8.087 -4.358 -9.309 1.00 0.00 C ATOM 1147 OE1 GLU A 71 -7.489 -3.756 -10.228 1.00 0.00 O ATOM 1148 OE2 GLU A 71 -9.209 -4.031 -8.859 1.00 0.00 O ATOM 0 H GLU A 71 -7.741 -5.028 -5.866 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.354 -6.040 -6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.804 -3.501 -7.439 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.458 -4.178 -8.333 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.722 -6.024 -9.099 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.894 -5.898 -7.801 1.00 0.00 H new ATOM 1155 N VAL A 72 -5.019 -2.832 -5.684 1.00 0.00 N ATOM 1156 CA VAL A 72 -4.140 -1.736 -5.328 1.00 0.00 C ATOM 1157 C VAL A 72 -3.321 -2.077 -4.085 1.00 0.00 C ATOM 1158 O VAL A 72 -2.192 -1.612 -3.941 1.00 0.00 O ATOM 1159 CB VAL A 72 -5.015 -0.493 -5.133 1.00 0.00 C ATOM 1160 CG1 VAL A 72 -4.427 0.595 -4.234 1.00 0.00 C ATOM 1161 CG2 VAL A 72 -5.372 0.125 -6.484 1.00 0.00 C ATOM 0 H VAL A 72 -6.000 -2.556 -5.719 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.413 -1.545 -6.117 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.898 -0.866 -4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.127 1.428 -4.165 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.248 0.188 -3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.486 0.947 -4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.994 1.007 -6.328 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.459 0.412 -7.005 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.919 -0.603 -7.084 1.00 0.00 H new ATOM 1171 N ARG A 73 -3.874 -2.848 -3.151 1.00 0.00 N ATOM 1172 CA ARG A 73 -3.123 -3.295 -1.998 1.00 0.00 C ATOM 1173 C ARG A 73 -2.026 -4.239 -2.441 1.00 0.00 C ATOM 1174 O ARG A 73 -0.878 -4.014 -2.069 1.00 0.00 O ATOM 1175 CB ARG A 73 -4.038 -3.903 -0.931 1.00 0.00 C ATOM 1176 CG ARG A 73 -5.141 -2.915 -0.534 1.00 0.00 C ATOM 1177 CD ARG A 73 -4.581 -1.525 -0.213 1.00 0.00 C ATOM 1178 NE ARG A 73 -3.511 -1.587 0.792 1.00 0.00 N ATOM 1179 CZ ARG A 73 -2.375 -0.871 0.832 1.00 0.00 C ATOM 1180 NH1 ARG A 73 -2.132 0.100 -0.055 1.00 0.00 N ATOM 1181 NH2 ARG A 73 -1.487 -1.146 1.783 1.00 0.00 N ATOM 0 H ARG A 73 -4.841 -3.172 -3.177 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.650 -2.435 -1.523 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.485 -4.822 -1.310 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.451 -4.173 -0.053 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.865 -2.835 -1.345 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.676 -3.299 0.334 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.197 -1.068 -1.125 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.384 -0.884 0.150 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.647 -2.254 1.551 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.816 0.310 -0.781 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.262 0.630 -0.005 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.677 -1.886 2.459 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.616 -0.617 1.836 1.00 0.00 H new ATOM 1195 N VAL A 74 -2.351 -5.253 -3.241 1.00 0.00 N ATOM 1196 CA VAL A 74 -1.343 -6.168 -3.758 1.00 0.00 C ATOM 1197 C VAL A 74 -0.248 -5.357 -4.450 1.00 0.00 C ATOM 1198 O VAL A 74 0.939 -5.516 -4.163 1.00 0.00 O ATOM 1199 CB VAL A 74 -1.986 -7.185 -4.716 1.00 0.00 C ATOM 1200 CG1 VAL A 74 -0.927 -7.915 -5.541 1.00 0.00 C ATOM 1201 CG2 VAL A 74 -2.784 -8.216 -3.921 1.00 0.00 C ATOM 0 H VAL A 74 -3.303 -5.459 -3.543 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.896 -6.733 -2.940 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.643 -6.636 -5.390 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.413 -8.627 -6.208 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.363 -7.192 -6.130 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.249 -8.447 -4.874 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.237 -8.933 -4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.119 -8.740 -3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.567 -7.712 -3.354 1.00 0.00 H new ATOM 1211 N TYR A 75 -0.655 -4.457 -5.340 1.00 0.00 N ATOM 1212 CA TYR A 75 0.259 -3.591 -6.053 1.00 0.00 C ATOM 1213 C TYR A 75 1.191 -2.892 -5.061 1.00 0.00 C ATOM 1214 O TYR A 75 2.410 -3.003 -5.158 1.00 0.00 O ATOM 1215 CB TYR A 75 -0.529 -2.580 -6.894 1.00 0.00 C ATOM 1216 CG TYR A 75 0.279 -2.069 -8.067 1.00 0.00 C ATOM 1217 CD1 TYR A 75 1.242 -1.061 -7.874 1.00 0.00 C ATOM 1218 CD2 TYR A 75 0.151 -2.673 -9.332 1.00 0.00 C ATOM 1219 CE1 TYR A 75 1.930 -0.525 -8.973 1.00 0.00 C ATOM 1220 CE2 TYR A 75 0.896 -2.183 -10.419 1.00 0.00 C ATOM 1221 CZ TYR A 75 1.712 -1.052 -10.254 1.00 0.00 C ATOM 1222 OH TYR A 75 2.383 -0.534 -11.320 1.00 0.00 O ATOM 0 H TYR A 75 -1.635 -4.312 -5.583 1.00 0.00 H new ATOM 0 HA TYR A 75 0.873 -4.184 -6.731 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.444 -3.047 -7.259 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -0.828 -1.741 -6.266 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.452 -0.699 -6.878 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -0.518 -3.510 -9.467 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.625 0.290 -8.833 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.841 -2.675 -11.379 1.00 0.00 H new ATOM 0 HH TYR A 75 2.120 -1.011 -12.135 1.00 0.00 H new ATOM 1232 N ASN A 76 0.606 -2.187 -4.093 1.00 0.00 N ATOM 1233 CA ASN A 76 1.330 -1.405 -3.101 1.00 0.00 C ATOM 1234 C ASN A 76 2.291 -2.265 -2.289 1.00 0.00 C ATOM 1235 O ASN A 76 3.416 -1.844 -2.026 1.00 0.00 O ATOM 1236 CB ASN A 76 0.352 -0.698 -2.154 1.00 0.00 C ATOM 1237 CG ASN A 76 -0.012 0.696 -2.636 1.00 0.00 C ATOM 1238 OD1 ASN A 76 0.826 1.592 -2.640 1.00 0.00 O ATOM 1239 ND2 ASN A 76 -1.259 0.902 -3.039 1.00 0.00 N ATOM 0 H ASN A 76 -0.407 -2.145 -3.977 1.00 0.00 H new ATOM 0 HA ASN A 76 1.914 -0.663 -3.644 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.555 -1.296 -2.059 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.795 -0.632 -1.160 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.544 1.826 -3.364 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.933 0.136 -3.024 1.00 0.00 H new ATOM 1246 N TRP A 77 1.849 -3.433 -1.827 1.00 0.00 N ATOM 1247 CA TRP A 77 2.675 -4.301 -1.000 1.00 0.00 C ATOM 1248 C TRP A 77 3.885 -4.744 -1.823 1.00 0.00 C ATOM 1249 O TRP A 77 5.028 -4.527 -1.421 1.00 0.00 O ATOM 1250 CB TRP A 77 1.855 -5.477 -0.426 1.00 0.00 C ATOM 1251 CG TRP A 77 2.333 -6.854 -0.774 1.00 0.00 C ATOM 1252 CD1 TRP A 77 1.959 -7.566 -1.860 1.00 0.00 C ATOM 1253 CD2 TRP A 77 3.334 -7.671 -0.098 1.00 0.00 C ATOM 1254 NE1 TRP A 77 2.759 -8.677 -1.988 1.00 0.00 N ATOM 1255 CE2 TRP A 77 3.607 -8.805 -0.915 1.00 0.00 C ATOM 1256 CE3 TRP A 77 4.028 -7.582 1.127 1.00 0.00 C ATOM 1257 CZ2 TRP A 77 4.542 -9.778 -0.560 1.00 0.00 C ATOM 1258 CZ3 TRP A 77 4.883 -8.617 1.547 1.00 0.00 C ATOM 1259 CH2 TRP A 77 5.171 -9.696 0.691 1.00 0.00 C ATOM 0 H TRP A 77 0.916 -3.799 -2.015 1.00 0.00 H new ATOM 0 HA TRP A 77 3.040 -3.760 -0.127 1.00 0.00 H new ATOM 0 HB2 TRP A 77 1.839 -5.385 0.660 1.00 0.00 H new ATOM 0 HB3 TRP A 77 0.825 -5.376 -0.769 1.00 0.00 H new ATOM 0 HD1 TRP A 77 1.152 -7.302 -2.528 1.00 0.00 H new ATOM 0 HE1 TRP A 77 2.727 -9.322 -2.777 1.00 0.00 H new ATOM 0 HE3 TRP A 77 3.901 -6.709 1.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.778 -10.584 -1.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.321 -8.583 2.533 1.00 0.00 H new ATOM 0 HH2 TRP A 77 5.873 -10.458 0.996 1.00 0.00 H new ATOM 1270 N PHE A 78 3.634 -5.344 -2.989 1.00 0.00 N ATOM 1271 CA PHE A 78 4.704 -5.901 -3.794 1.00 0.00 C ATOM 1272 C PHE A 78 5.656 -4.791 -4.189 1.00 0.00 C ATOM 1273 O PHE A 78 6.864 -4.951 -4.052 1.00 0.00 O ATOM 1274 CB PHE A 78 4.175 -6.594 -5.054 1.00 0.00 C ATOM 1275 CG PHE A 78 3.954 -8.087 -4.921 1.00 0.00 C ATOM 1276 CD1 PHE A 78 5.026 -8.934 -4.571 1.00 0.00 C ATOM 1277 CD2 PHE A 78 2.728 -8.649 -5.315 1.00 0.00 C ATOM 1278 CE1 PHE A 78 4.836 -10.326 -4.514 1.00 0.00 C ATOM 1279 CE2 PHE A 78 2.559 -10.044 -5.310 1.00 0.00 C ATOM 1280 CZ PHE A 78 3.587 -10.877 -4.837 1.00 0.00 C ATOM 0 H PHE A 78 2.702 -5.452 -3.388 1.00 0.00 H new ATOM 0 HA PHE A 78 5.219 -6.653 -3.196 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.232 -6.127 -5.338 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.877 -6.417 -5.869 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.995 -8.513 -4.346 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.915 -8.008 -5.622 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.651 -10.971 -4.222 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.637 -10.477 -5.670 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.416 -11.937 -4.723 1.00 0.00 H new ATOM 1290 N ALA A 79 5.107 -3.684 -4.695 1.00 0.00 N ATOM 1291 CA ALA A 79 5.868 -2.495 -5.026 1.00 0.00 C ATOM 1292 C ALA A 79 6.805 -2.159 -3.875 1.00 0.00 C ATOM 1293 O ALA A 79 8.008 -2.043 -4.085 1.00 0.00 O ATOM 1294 CB ALA A 79 4.933 -1.319 -5.326 1.00 0.00 C ATOM 0 H ALA A 79 4.109 -3.595 -4.886 1.00 0.00 H new ATOM 0 HA ALA A 79 6.458 -2.686 -5.922 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.525 -0.437 -5.572 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.290 -1.571 -6.169 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.318 -1.111 -4.451 1.00 0.00 H new ATOM 1300 N ASN A 80 6.262 -2.018 -2.668 1.00 0.00 N ATOM 1301 CA ASN A 80 7.051 -1.586 -1.529 1.00 0.00 C ATOM 1302 C ASN A 80 8.169 -2.573 -1.209 1.00 0.00 C ATOM 1303 O ASN A 80 9.321 -2.161 -1.084 1.00 0.00 O ATOM 1304 CB ASN A 80 6.164 -1.329 -0.313 1.00 0.00 C ATOM 1305 CG ASN A 80 6.901 -0.453 0.691 1.00 0.00 C ATOM 1306 OD1 ASN A 80 6.911 0.768 0.538 1.00 0.00 O ATOM 1307 ND2 ASN A 80 7.506 -1.040 1.710 1.00 0.00 N ATOM 0 H ASN A 80 5.280 -2.198 -2.459 1.00 0.00 H new ATOM 0 HA ASN A 80 7.527 -0.643 -1.798 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.239 -0.843 -0.623 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.886 -2.275 0.152 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.002 -0.478 2.401 1.00 0.00 H new ATOM 0 HD22 ASN A 80 7.477 -2.055 1.805 1.00 0.00 H new ATOM 1314 N ARG A 81 7.848 -3.866 -1.118 1.00 0.00 N ATOM 1315 CA ARG A 81 8.833 -4.911 -0.854 1.00 0.00 C ATOM 1316 C ARG A 81 9.935 -4.875 -1.912 1.00 0.00 C ATOM 1317 O ARG A 81 11.104 -4.659 -1.600 1.00 0.00 O ATOM 1318 CB ARG A 81 8.175 -6.297 -0.863 1.00 0.00 C ATOM 1319 CG ARG A 81 7.184 -6.525 0.279 1.00 0.00 C ATOM 1320 CD ARG A 81 7.832 -7.107 1.547 1.00 0.00 C ATOM 1321 NE ARG A 81 8.128 -8.551 1.404 1.00 0.00 N ATOM 1322 CZ ARG A 81 8.053 -9.465 2.393 1.00 0.00 C ATOM 1323 NH1 ARG A 81 7.848 -9.091 3.654 1.00 0.00 N ATOM 1324 NH2 ARG A 81 8.163 -10.770 2.126 1.00 0.00 N ATOM 0 H ARG A 81 6.896 -4.215 -1.226 1.00 0.00 H new ATOM 0 HA ARG A 81 9.261 -4.727 0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.657 -6.435 -1.812 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.954 -7.058 -0.811 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.704 -5.578 0.528 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.399 -7.201 -0.061 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.754 -6.567 1.764 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.167 -6.955 2.397 1.00 0.00 H new ATOM 0 HE ARG A 81 8.412 -8.882 0.482 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.745 -8.102 3.882 1.00 0.00 H new ATOM 0 HH12 ARG A 81 7.793 -9.793 4.392 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.305 -11.084 1.166 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.105 -11.452 2.882 1.00 0.00 H new ATOM 1338 N ARG A 82 9.567 -5.085 -3.176 1.00 0.00 N ATOM 1339 CA ARG A 82 10.554 -5.185 -4.239 1.00 0.00 C ATOM 1340 C ARG A 82 11.291 -3.864 -4.419 1.00 0.00 C ATOM 1341 O ARG A 82 12.388 -3.858 -4.958 1.00 0.00 O ATOM 1342 CB ARG A 82 9.943 -5.715 -5.544 1.00 0.00 C ATOM 1343 CG ARG A 82 8.970 -4.746 -6.220 1.00 0.00 C ATOM 1344 CD ARG A 82 9.599 -3.896 -7.329 1.00 0.00 C ATOM 1345 NE ARG A 82 8.616 -2.912 -7.806 1.00 0.00 N ATOM 1346 CZ ARG A 82 7.654 -3.127 -8.717 1.00 0.00 C ATOM 1347 NH1 ARG A 82 7.568 -4.298 -9.348 1.00 0.00 N ATOM 1348 NH2 ARG A 82 6.765 -2.174 -8.986 1.00 0.00 N ATOM 0 H ARG A 82 8.600 -5.188 -3.482 1.00 0.00 H new ATOM 0 HA ARG A 82 11.297 -5.925 -3.942 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.748 -5.949 -6.240 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.422 -6.649 -5.335 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.141 -5.315 -6.640 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.550 -4.083 -5.463 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.487 -3.387 -6.953 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.921 -4.533 -8.152 1.00 0.00 H new ATOM 0 HE ARG A 82 8.670 -1.975 -7.406 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.237 -5.040 -9.140 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.834 -4.452 -10.039 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.814 -1.279 -8.500 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.035 -2.339 -9.679 1.00 0.00 H new ATOM 1362 N LYS A 83 10.716 -2.739 -3.991 1.00 0.00 N ATOM 1363 CA LYS A 83 11.421 -1.471 -3.954 1.00 0.00 C ATOM 1364 C LYS A 83 12.457 -1.466 -2.834 1.00 0.00 C ATOM 1365 O LYS A 83 13.584 -1.027 -3.056 1.00 0.00 O ATOM 1366 CB LYS A 83 10.406 -0.322 -3.843 1.00 0.00 C ATOM 1367 CG LYS A 83 11.018 1.058 -3.589 1.00 0.00 C ATOM 1368 CD LYS A 83 11.617 1.689 -4.848 1.00 0.00 C ATOM 1369 CE LYS A 83 12.493 2.899 -4.492 1.00 0.00 C ATOM 1370 NZ LYS A 83 11.842 3.867 -3.578 1.00 0.00 N ATOM 0 H LYS A 83 9.752 -2.688 -3.663 1.00 0.00 H new ATOM 0 HA LYS A 83 11.976 -1.325 -4.881 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.824 -0.281 -4.764 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.710 -0.549 -3.035 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.252 1.721 -3.187 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.794 0.970 -2.829 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.212 0.949 -5.382 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.817 2.000 -5.520 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.415 2.544 -4.032 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.773 3.414 -5.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.436 4.716 -3.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.911 4.132 -3.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.721 3.432 -2.641 1.00 0.00 H new ATOM 1384 N GLU A 84 12.100 -1.955 -1.647 1.00 0.00 N ATOM 1385 CA GLU A 84 13.055 -2.135 -0.563 1.00 0.00 C ATOM 1386 C GLU A 84 14.222 -2.989 -1.083 1.00 0.00 C ATOM 1387 O GLU A 84 15.385 -2.751 -0.747 1.00 0.00 O ATOM 1388 CB GLU A 84 12.362 -2.797 0.647 1.00 0.00 C ATOM 1389 CG GLU A 84 12.834 -2.249 2.008 1.00 0.00 C ATOM 1390 CD GLU A 84 11.885 -1.207 2.577 1.00 0.00 C ATOM 1391 OE1 GLU A 84 11.466 -0.309 1.821 1.00 0.00 O ATOM 1392 OE2 GLU A 84 11.542 -1.301 3.774 1.00 0.00 O ATOM 0 H GLU A 84 11.147 -2.235 -1.414 1.00 0.00 H new ATOM 0 HA GLU A 84 13.441 -1.172 -0.229 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.285 -2.653 0.561 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.543 -3.871 0.615 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.929 -3.073 2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.825 -1.810 1.895 1.00 0.00 H new ATOM 1399 N GLU A 85 13.906 -3.984 -1.916 1.00 0.00 N ATOM 1400 CA GLU A 85 14.893 -4.922 -2.422 1.00 0.00 C ATOM 1401 C GLU A 85 15.749 -4.222 -3.478 1.00 0.00 C ATOM 1402 O GLU A 85 16.973 -4.209 -3.392 1.00 0.00 O ATOM 1403 CB GLU A 85 14.197 -6.184 -2.956 1.00 0.00 C ATOM 1404 CG GLU A 85 15.193 -7.347 -3.055 1.00 0.00 C ATOM 1405 CD GLU A 85 14.557 -8.596 -3.628 1.00 0.00 C ATOM 1406 OE1 GLU A 85 13.415 -8.936 -3.241 1.00 0.00 O ATOM 1407 OE2 GLU A 85 15.192 -9.249 -4.479 1.00 0.00 O ATOM 0 H GLU A 85 12.959 -4.156 -2.254 1.00 0.00 H new ATOM 0 HA GLU A 85 15.557 -5.250 -1.622 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.373 -6.458 -2.297 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.767 -5.982 -3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 85 16.035 -7.050 -3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 85 15.593 -7.566 -2.065 1.00 0.00 H new ATOM 1414 N ALA A 86 15.099 -3.617 -4.470 1.00 0.00 N ATOM 1415 CA ALA A 86 15.738 -2.897 -5.558 1.00 0.00 C ATOM 1416 C ALA A 86 16.668 -1.821 -5.009 1.00 0.00 C ATOM 1417 O ALA A 86 17.762 -1.634 -5.531 1.00 0.00 O ATOM 1418 CB ALA A 86 14.687 -2.286 -6.487 1.00 0.00 C ATOM 0 H ALA A 86 14.081 -3.617 -4.536 1.00 0.00 H new ATOM 0 HA ALA A 86 16.335 -3.601 -6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.184 -1.751 -7.296 1.00 0.00 H new ATOM 0 HB2 ALA A 86 14.065 -3.078 -6.904 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.062 -1.593 -5.923 1.00 0.00 H new ATOM 1424 N PHE A 87 16.253 -1.130 -3.944 1.00 0.00 N ATOM 1425 CA PHE A 87 17.129 -0.218 -3.230 1.00 0.00 C ATOM 1426 C PHE A 87 18.430 -0.940 -2.889 1.00 0.00 C ATOM 1427 O PHE A 87 19.478 -0.564 -3.398 1.00 0.00 O ATOM 1428 CB PHE A 87 16.449 0.368 -1.986 1.00 0.00 C ATOM 1429 CG PHE A 87 17.429 1.060 -1.061 1.00 0.00 C ATOM 1430 CD1 PHE A 87 18.020 2.277 -1.448 1.00 0.00 C ATOM 1431 CD2 PHE A 87 17.878 0.404 0.102 1.00 0.00 C ATOM 1432 CE1 PHE A 87 18.981 2.883 -0.622 1.00 0.00 C ATOM 1433 CE2 PHE A 87 18.840 1.012 0.925 1.00 0.00 C ATOM 1434 CZ PHE A 87 19.343 2.281 0.590 1.00 0.00 C ATOM 0 H PHE A 87 15.309 -1.190 -3.561 1.00 0.00 H new ATOM 0 HA PHE A 87 17.359 0.632 -3.872 1.00 0.00 H new ATOM 0 HB2 PHE A 87 15.683 1.079 -2.296 1.00 0.00 H new ATOM 0 HB3 PHE A 87 15.943 -0.430 -1.443 1.00 0.00 H new ATOM 0 HD1 PHE A 87 17.735 2.745 -2.379 1.00 0.00 H new ATOM 0 HD2 PHE A 87 17.482 -0.567 0.361 1.00 0.00 H new ATOM 0 HE1 PHE A 87 19.441 3.813 -0.921 1.00 0.00 H new ATOM 0 HE2 PHE A 87 19.192 0.506 1.812 1.00 0.00 H new ATOM 0 HZ PHE A 87 20.010 2.793 1.268 1.00 0.00 H new ATOM 1444 N ARG A 88 18.363 -2.010 -2.094 1.00 0.00 N ATOM 1445 CA ARG A 88 19.538 -2.790 -1.729 1.00 0.00 C ATOM 1446 C ARG A 88 20.304 -3.226 -2.979 1.00 0.00 C ATOM 1447 O ARG A 88 21.535 -3.276 -2.974 1.00 0.00 O ATOM 1448 CB ARG A 88 19.111 -3.981 -0.852 1.00 0.00 C ATOM 1449 CG ARG A 88 20.259 -4.753 -0.173 1.00 0.00 C ATOM 1450 CD ARG A 88 20.657 -6.064 -0.877 1.00 0.00 C ATOM 1451 NE ARG A 88 21.494 -5.839 -2.067 1.00 0.00 N ATOM 1452 CZ ARG A 88 21.880 -6.781 -2.942 1.00 0.00 C ATOM 1453 NH1 ARG A 88 21.491 -8.047 -2.764 1.00 0.00 N ATOM 1454 NH2 ARG A 88 22.649 -6.446 -3.983 1.00 0.00 N ATOM 0 H ARG A 88 17.493 -2.356 -1.688 1.00 0.00 H new ATOM 0 HA ARG A 88 20.223 -2.176 -1.144 1.00 0.00 H new ATOM 0 HB2 ARG A 88 18.435 -3.616 -0.079 1.00 0.00 H new ATOM 0 HB3 ARG A 88 18.543 -4.678 -1.468 1.00 0.00 H new ATOM 0 HG2 ARG A 88 21.134 -4.105 -0.120 1.00 0.00 H new ATOM 0 HG3 ARG A 88 19.969 -4.981 0.853 1.00 0.00 H new ATOM 0 HD2 ARG A 88 21.195 -6.700 -0.174 1.00 0.00 H new ATOM 0 HD3 ARG A 88 19.756 -6.603 -1.169 1.00 0.00 H new ATOM 0 HE ARG A 88 21.808 -4.884 -2.242 1.00 0.00 H new ATOM 0 HH11 ARG A 88 20.904 -8.293 -1.967 1.00 0.00 H new ATOM 0 HH12 ARG A 88 21.781 -8.767 -3.425 1.00 0.00 H new ATOM 0 HH21 ARG A 88 22.941 -5.477 -4.111 1.00 0.00 H new ATOM 0 HH22 ARG A 88 22.944 -7.159 -4.650 1.00 0.00 H new ATOM 1468 N HIS A 89 19.600 -3.600 -4.042 1.00 0.00 N ATOM 1469 CA HIS A 89 20.215 -4.027 -5.284 1.00 0.00 C ATOM 1470 C HIS A 89 21.035 -2.894 -5.904 1.00 0.00 C ATOM 1471 O HIS A 89 22.100 -3.155 -6.456 1.00 0.00 O ATOM 1472 CB HIS A 89 19.161 -4.584 -6.246 1.00 0.00 C ATOM 1473 CG HIS A 89 19.754 -5.453 -7.327 1.00 0.00 C ATOM 1474 ND1 HIS A 89 20.915 -5.207 -8.030 1.00 0.00 N ATOM 1475 CD2 HIS A 89 19.280 -6.675 -7.725 1.00 0.00 C ATOM 1476 CE1 HIS A 89 21.128 -6.258 -8.839 1.00 0.00 C ATOM 1477 NE2 HIS A 89 20.167 -7.182 -8.676 1.00 0.00 N ATOM 0 H HIS A 89 18.580 -3.614 -4.062 1.00 0.00 H new ATOM 0 HA HIS A 89 20.911 -4.838 -5.070 1.00 0.00 H new ATOM 0 HB2 HIS A 89 18.431 -5.163 -5.681 1.00 0.00 H new ATOM 0 HB3 HIS A 89 18.623 -3.756 -6.707 1.00 0.00 H new ATOM 0 HD1 HIS A 89 21.504 -4.378 -7.950 1.00 0.00 H new ATOM 0 HD2 HIS A 89 18.383 -7.158 -7.368 1.00 0.00 H new ATOM 0 HE1 HIS A 89 21.957 -6.348 -9.525 1.00 0.00 H new ATOM 1485 N LYS A 90 20.562 -1.653 -5.804 1.00 0.00 N ATOM 1486 CA LYS A 90 21.160 -0.485 -6.439 1.00 0.00 C ATOM 1487 C LYS A 90 22.412 0.018 -5.695 1.00 0.00 C ATOM 1488 O LYS A 90 22.802 1.164 -5.896 1.00 0.00 O ATOM 1489 CB LYS A 90 20.070 0.610 -6.539 1.00 0.00 C ATOM 1490 CG LYS A 90 20.415 1.753 -7.510 1.00 0.00 C ATOM 1491 CD LYS A 90 20.505 3.144 -6.853 1.00 0.00 C ATOM 1492 CE LYS A 90 19.157 3.869 -6.691 1.00 0.00 C ATOM 1493 NZ LYS A 90 18.354 3.405 -5.542 1.00 0.00 N ATOM 0 H LYS A 90 19.727 -1.428 -5.262 1.00 0.00 H new ATOM 0 HA LYS A 90 21.512 -0.756 -7.434 1.00 0.00 H new ATOM 0 HB2 LYS A 90 19.135 0.149 -6.856 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.899 1.029 -5.547 1.00 0.00 H new ATOM 0 HG2 LYS A 90 21.368 1.530 -7.990 1.00 0.00 H new ATOM 0 HG3 LYS A 90 19.661 1.785 -8.297 1.00 0.00 H new ATOM 0 HD2 LYS A 90 20.965 3.037 -5.870 1.00 0.00 H new ATOM 0 HD3 LYS A 90 21.169 3.770 -7.449 1.00 0.00 H new ATOM 0 HE2 LYS A 90 19.343 4.938 -6.582 1.00 0.00 H new ATOM 0 HE3 LYS A 90 18.575 3.738 -7.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 17.471 3.952 -5.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 18.130 2.396 -5.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 18.895 3.539 -4.664 1.00 0.00 H new ATOM 1507 N LEU A 91 23.034 -0.786 -4.827 1.00 0.00 N ATOM 1508 CA LEU A 91 24.118 -0.340 -3.963 1.00 0.00 C ATOM 1509 C LEU A 91 24.702 -1.496 -3.155 1.00 0.00 C ATOM 1510 O LEU A 91 25.847 -1.885 -3.341 1.00 0.00 O ATOM 1511 CB LEU A 91 23.675 0.802 -3.021 1.00 0.00 C ATOM 1512 CG LEU A 91 22.256 0.642 -2.429 1.00 0.00 C ATOM 1513 CD1 LEU A 91 22.207 0.463 -0.908 1.00 0.00 C ATOM 1514 CD2 LEU A 91 21.395 1.850 -2.806 1.00 0.00 C ATOM 0 H LEU A 91 22.794 -1.770 -4.708 1.00 0.00 H new ATOM 0 HA LEU A 91 24.897 0.050 -4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 91 24.389 0.875 -2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 91 23.721 1.744 -3.568 1.00 0.00 H new ATOM 0 HG LEU A 91 21.871 -0.282 -2.861 1.00 0.00 H new ATOM 0 HD11 LEU A 91 21.171 0.359 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 91 22.765 -0.431 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 91 22.651 1.333 -0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 91 20.396 1.731 -2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 91 21.849 2.758 -2.410 1.00 0.00 H new ATOM 0 HD23 LEU A 91 21.325 1.923 -3.891 1.00 0.00 H new ATOM 1526 N ALA A 92 23.917 -2.011 -2.213 1.00 0.00 N ATOM 1527 CA ALA A 92 24.330 -2.941 -1.169 1.00 0.00 C ATOM 1528 C ALA A 92 25.393 -2.391 -0.211 1.00 0.00 C ATOM 1529 O ALA A 92 25.966 -3.167 0.546 1.00 0.00 O ATOM 1530 CB ALA A 92 24.747 -4.289 -1.768 1.00 0.00 C ATOM 0 H ALA A 92 22.926 -1.779 -2.155 1.00 0.00 H new ATOM 0 HA ALA A 92 23.448 -3.093 -0.546 1.00 0.00 H new ATOM 0 HB1 ALA A 92 25.051 -4.964 -0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 92 23.906 -4.722 -2.309 1.00 0.00 H new ATOM 0 HB3 ALA A 92 25.581 -4.140 -2.453 1.00 0.00 H new ATOM 1536 N MET A 93 25.614 -1.075 -0.192 1.00 0.00 N ATOM 1537 CA MET A 93 26.600 -0.437 0.682 1.00 0.00 C ATOM 1538 C MET A 93 26.344 1.070 0.813 1.00 0.00 C ATOM 1539 O MET A 93 27.282 1.856 0.927 1.00 0.00 O ATOM 1540 CB MET A 93 28.025 -0.749 0.183 1.00 0.00 C ATOM 1541 CG MET A 93 28.300 -0.251 -1.246 1.00 0.00 C ATOM 1542 SD MET A 93 29.952 -0.607 -1.900 1.00 0.00 S ATOM 1543 CE MET A 93 29.905 -2.407 -2.010 1.00 0.00 C ATOM 0 H MET A 93 25.110 -0.418 -0.787 1.00 0.00 H new ATOM 0 HA MET A 93 26.499 -0.850 1.686 1.00 0.00 H new ATOM 0 HB2 MET A 93 28.746 -0.295 0.862 1.00 0.00 H new ATOM 0 HB3 MET A 93 28.186 -1.826 0.221 1.00 0.00 H new ATOM 0 HG2 MET A 93 27.562 -0.695 -1.914 1.00 0.00 H new ATOM 0 HG3 MET A 93 28.144 0.828 -1.271 1.00 0.00 H new ATOM 0 HE1 MET A 93 30.787 -2.762 -2.543 1.00 0.00 H new ATOM 0 HE2 MET A 93 29.892 -2.833 -1.007 1.00 0.00 H new ATOM 0 HE3 MET A 93 29.008 -2.715 -2.547 1.00 0.00 H new ATOM 1553 N ASP A 94 25.074 1.482 0.780 1.00 0.00 N ATOM 1554 CA ASP A 94 24.671 2.891 0.781 1.00 0.00 C ATOM 1555 C ASP A 94 23.311 3.022 1.477 1.00 0.00 C ATOM 1556 O ASP A 94 22.364 3.611 0.963 1.00 0.00 O ATOM 1557 CB ASP A 94 24.658 3.397 -0.669 1.00 0.00 C ATOM 1558 CG ASP A 94 24.322 4.862 -0.782 1.00 0.00 C ATOM 1559 OD1 ASP A 94 25.127 5.693 -0.311 1.00 0.00 O ATOM 1560 OD2 ASP A 94 23.300 5.184 -1.420 1.00 0.00 O ATOM 0 H ASP A 94 24.285 0.836 0.751 1.00 0.00 H new ATOM 0 HA ASP A 94 25.374 3.511 1.337 1.00 0.00 H new ATOM 0 HB2 ASP A 94 25.635 3.219 -1.118 1.00 0.00 H new ATOM 0 HB3 ASP A 94 23.933 2.819 -1.243 1.00 0.00 H new ATOM 1565 N THR A 95 23.191 2.375 2.633 1.00 0.00 N ATOM 1566 CA THR A 95 21.973 2.235 3.422 1.00 0.00 C ATOM 1567 C THR A 95 21.462 3.584 3.951 1.00 0.00 C ATOM 1568 O THR A 95 22.205 4.568 3.941 1.00 0.00 O ATOM 1569 CB THR A 95 22.276 1.247 4.562 1.00 0.00 C ATOM 1570 OG1 THR A 95 23.671 1.213 4.817 1.00 0.00 O ATOM 1571 CG2 THR A 95 21.866 -0.168 4.149 1.00 0.00 C ATOM 0 H THR A 95 23.987 1.908 3.068 1.00 0.00 H new ATOM 0 HA THR A 95 21.167 1.853 2.795 1.00 0.00 H new ATOM 0 HB THR A 95 21.725 1.573 5.445 1.00 0.00 H new ATOM 0 HG1 THR A 95 23.855 0.583 5.545 1.00 0.00 H new ATOM 0 HG21 THR A 95 22.084 -0.862 4.961 1.00 0.00 H new ATOM 0 HG22 THR A 95 20.798 -0.188 3.931 1.00 0.00 H new ATOM 0 HG23 THR A 95 22.424 -0.464 3.260 1.00 0.00 H new ATOM 1579 N TYR A 96 20.207 3.637 4.424 1.00 0.00 N ATOM 1580 CA TYR A 96 19.492 4.879 4.720 1.00 0.00 C ATOM 1581 C TYR A 96 19.253 5.633 3.404 1.00 0.00 C ATOM 1582 O TYR A 96 19.666 5.166 2.344 1.00 0.00 O ATOM 1583 CB TYR A 96 20.173 5.671 5.864 1.00 0.00 C ATOM 1584 CG TYR A 96 19.965 7.175 5.913 1.00 0.00 C ATOM 1585 CD1 TYR A 96 18.852 7.731 6.571 1.00 0.00 C ATOM 1586 CD2 TYR A 96 20.914 8.026 5.318 1.00 0.00 C ATOM 1587 CE1 TYR A 96 18.668 9.121 6.604 1.00 0.00 C ATOM 1588 CE2 TYR A 96 20.727 9.418 5.349 1.00 0.00 C ATOM 1589 CZ TYR A 96 19.613 9.965 6.001 1.00 0.00 C ATOM 1590 OH TYR A 96 19.541 11.311 6.187 1.00 0.00 O ATOM 0 H TYR A 96 19.655 2.801 4.613 1.00 0.00 H new ATOM 0 HA TYR A 96 18.502 4.682 5.131 1.00 0.00 H new ATOM 0 HB2 TYR A 96 19.827 5.255 6.810 1.00 0.00 H new ATOM 0 HB3 TYR A 96 21.245 5.484 5.807 1.00 0.00 H new ATOM 0 HD1 TYR A 96 18.135 7.083 7.054 1.00 0.00 H new ATOM 0 HD2 TYR A 96 21.787 7.609 4.837 1.00 0.00 H new ATOM 0 HE1 TYR A 96 17.801 9.541 7.092 1.00 0.00 H new ATOM 0 HE2 TYR A 96 21.443 10.068 4.869 1.00 0.00 H new ATOM 0 HH TYR A 96 20.271 11.748 5.701 1.00 0.00 H new ATOM 1600 N LYS A 97 18.527 6.753 3.438 1.00 0.00 N ATOM 1601 CA LYS A 97 18.387 7.701 2.334 1.00 0.00 C ATOM 1602 C LYS A 97 17.423 7.214 1.240 1.00 0.00 C ATOM 1603 O LYS A 97 16.815 8.047 0.564 1.00 0.00 O ATOM 1604 CB LYS A 97 19.783 8.066 1.804 1.00 0.00 C ATOM 1605 CG LYS A 97 19.880 9.370 1.012 1.00 0.00 C ATOM 1606 CD LYS A 97 21.372 9.703 0.852 1.00 0.00 C ATOM 1607 CE LYS A 97 21.702 10.525 -0.399 1.00 0.00 C ATOM 1608 NZ LYS A 97 21.463 9.791 -1.657 1.00 0.00 N ATOM 0 H LYS A 97 18.002 7.033 4.266 1.00 0.00 H new ATOM 0 HA LYS A 97 17.917 8.610 2.710 1.00 0.00 H new ATOM 0 HB2 LYS A 97 20.467 8.127 2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 97 20.133 7.252 1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 97 19.404 9.263 0.037 1.00 0.00 H new ATOM 0 HG3 LYS A 97 19.361 10.175 1.533 1.00 0.00 H new ATOM 0 HD2 LYS A 97 21.707 10.252 1.732 1.00 0.00 H new ATOM 0 HD3 LYS A 97 21.939 8.773 0.822 1.00 0.00 H new ATOM 0 HE2 LYS A 97 21.101 11.435 -0.397 1.00 0.00 H new ATOM 0 HE3 LYS A 97 22.747 10.833 -0.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 21.889 10.312 -2.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 21.891 8.845 -1.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 20.439 9.697 -1.815 1.00 0.00 H new ATOM 1622 N LEU A 98 17.283 5.894 1.073 1.00 0.00 N ATOM 1623 CA LEU A 98 16.397 5.194 0.152 1.00 0.00 C ATOM 1624 C LEU A 98 16.264 5.932 -1.180 1.00 0.00 C ATOM 1625 O LEU A 98 15.193 6.438 -1.534 1.00 0.00 O ATOM 1626 CB LEU A 98 15.059 4.830 0.822 1.00 0.00 C ATOM 1627 CG LEU A 98 14.529 3.444 0.400 1.00 0.00 C ATOM 1628 CD1 LEU A 98 14.528 3.237 -1.116 1.00 0.00 C ATOM 1629 CD2 LEU A 98 15.261 2.321 1.143 1.00 0.00 C ATOM 0 H LEU A 98 17.835 5.239 1.627 1.00 0.00 H new ATOM 0 HA LEU A 98 16.854 4.239 -0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 98 15.184 4.850 1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 98 14.316 5.588 0.573 1.00 0.00 H new ATOM 0 HG LEU A 98 13.481 3.405 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 98 14.144 2.243 -1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 98 13.894 3.989 -1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 98 15.545 3.331 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 98 14.866 1.356 0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 98 16.326 2.369 0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 98 15.112 2.438 2.216 1.00 0.00 H new ATOM 1641 N ASN A 99 17.388 6.009 -1.891 1.00 0.00 N ATOM 1642 CA ASN A 99 17.560 6.861 -3.051 1.00 0.00 C ATOM 1643 C ASN A 99 16.835 6.352 -4.284 1.00 0.00 C ATOM 1644 O ASN A 99 16.066 7.185 -4.810 1.00 0.00 O ATOM 1645 CB ASN A 99 19.035 7.093 -3.372 1.00 0.00 C ATOM 1646 CG ASN A 99 19.814 5.846 -3.786 1.00 0.00 C ATOM 1647 OD1 ASN A 99 19.476 4.716 -3.437 1.00 0.00 O ATOM 1648 ND2 ASN A 99 20.874 6.030 -4.558 1.00 0.00 N ATOM 1649 OXT ASN A 99 16.668 5.116 -4.384 1.00 0.00 O ATOM 0 H ASN A 99 18.220 5.465 -1.665 1.00 0.00 H new ATOM 0 HA ASN A 99 17.104 7.812 -2.777 1.00 0.00 H new ATOM 0 HB2 ASN A 99 19.105 7.828 -4.174 1.00 0.00 H new ATOM 0 HB3 ASN A 99 19.517 7.529 -2.497 1.00 0.00 H new ATOM 0 HD21 ASN A 99 21.422 5.229 -4.871 1.00 0.00 H new ATOM 0 HD22 ASN A 99 21.142 6.973 -4.840 1.00 0.00 H new TER 1656 ASN A 99