USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 748 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 87 ASN : amide:sc= 0.597 K(o=1.8,f=-7.4!) USER MOD Set 1.2: A 89 LYS NZ :NH3+ -149:sc= 1.24 (180deg=-0.0777) USER MOD Set 2.1: A 64 ASN : amide:sc= -0.189! C(o=1.4!,f=-6.6!) USER MOD Set 2.2: A 67 LYS NZ :NH3+ 141:sc= 1.29 (180deg=0) USER MOD Set 2.3: A 68 TYR OH : rot 30:sc= 0.344 USER MOD Set 3.1: A 48 HIS : no HD1:sc= 1.56 K(o=2.2,f=-11!) USER MOD Set 3.2: A 93 SER OG : rot 14:sc= 0.606 USER MOD Single : A 1 MET CE :methyl -174:sc= 0 (180deg=-0.0584) USER MOD Single : A 1 MET N :NH3+ 173:sc= 1.13 (180deg=1.04) USER MOD Single : A 6 LYS NZ :NH3+ -128:sc= 1.56 (180deg=-1.26!) USER MOD Single : A 14 LYS NZ :NH3+ 126:sc= 1.19 (180deg=-0.0769) USER MOD Single : A 15 MET CE :methyl -138:sc= -0.221 (180deg=-1.52) USER MOD Single : A 16 LYS NZ :NH3+ -173:sc= -0.274 (180deg=-0.418) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -1.74! K(o=-1.7!,f=-0.95) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.033 USER MOD Single : A 38 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.25) USER MOD Single : A 39 LYS NZ :NH3+ 156:sc= 0.379 (180deg=0.161) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot -161:sc= 0.0224 USER MOD Single : A 56 LYS NZ :NH3+ -179:sc= 1.06 (180deg=1.05) USER MOD Single : A 61 TYR OH : rot -146:sc= 1.23 USER MOD Single : A 62 SER OG : rot 61:sc= 1.47 USER MOD Single : A 65 LYS NZ :NH3+ -169:sc= 0.736 (180deg=0.16) USER MOD Single : A 70 LYS NZ :NH3+ -151:sc= -2.33! (180deg=-2.44!) USER MOD Single : A 72 ASN : amide:sc= 0.0733 K(o=0.073,f=-4.1!) USER MOD Single : A 73 LYS NZ :NH3+ -158:sc= 0.143 (180deg=-0.391) USER MOD Single : A 75 LYS NZ :NH3+ 157:sc= 1.02 (180deg=0.628) USER MOD Single : A 78 ASN : amide:sc= -0.577! C(o=-0.58!,f=-12!) USER MOD Single : A 86 ASN : amide:sc= -2.41! K(o=-2.4!,f=-0.57) USER MOD Single : A 91 LYS NZ :NH3+ -171:sc= 0.678 (180deg=0.0632!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.987 14.106 1.693 1.00 0.00 N ATOM 2 CA MET A 1 -2.413 14.243 1.996 1.00 0.00 C ATOM 3 C MET A 1 -2.444 15.140 3.202 1.00 0.00 C ATOM 4 O MET A 1 -1.446 15.791 3.460 1.00 0.00 O ATOM 5 CB MET A 1 -3.001 12.843 2.310 1.00 0.00 C ATOM 6 CG MET A 1 -4.468 12.606 1.879 1.00 0.00 C ATOM 7 SD MET A 1 -5.678 13.583 2.796 1.00 0.00 S ATOM 8 CE MET A 1 -7.215 13.075 2.035 1.00 0.00 C ATOM 0 H1 MET A 1 -0.859 13.402 0.938 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.609 15.023 1.380 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.479 13.796 2.546 1.00 0.00 H new ATOM 0 HA MET A 1 -3.003 14.654 1.176 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.376 12.093 1.826 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.928 12.674 3.384 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.564 12.834 0.817 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.704 11.549 2.001 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.033 13.677 2.430 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.150 13.214 0.956 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.400 12.023 2.255 1.00 0.00 H new ATOM 20 N ALA A 2 -3.547 15.196 3.901 1.00 0.00 N ATOM 21 CA ALA A 2 -3.668 15.973 5.131 1.00 0.00 C ATOM 22 C ALA A 2 -2.728 15.427 6.202 1.00 0.00 C ATOM 23 O ALA A 2 -2.242 16.164 7.038 1.00 0.00 O ATOM 24 CB ALA A 2 -5.108 15.962 5.628 1.00 0.00 C ATOM 0 H ALA A 2 -4.401 14.703 3.640 1.00 0.00 H new ATOM 0 HA ALA A 2 -3.385 17.004 4.918 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.181 16.546 6.546 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.758 16.397 4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.417 14.936 5.826 1.00 0.00 H new ATOM 30 N ARG A 3 -2.474 14.124 6.158 1.00 0.00 N ATOM 31 CA ARG A 3 -1.535 13.537 7.086 1.00 0.00 C ATOM 32 C ARG A 3 -0.227 13.295 6.361 1.00 0.00 C ATOM 33 O ARG A 3 -0.179 13.331 5.096 1.00 0.00 O ATOM 34 CB ARG A 3 -2.022 12.195 7.681 1.00 0.00 C ATOM 35 CG ARG A 3 -2.024 11.029 6.697 1.00 0.00 C ATOM 36 CD ARG A 3 -2.036 9.687 7.419 1.00 0.00 C ATOM 37 NE ARG A 3 -3.284 9.430 8.151 1.00 0.00 N ATOM 38 CZ ARG A 3 -3.479 8.409 8.999 1.00 0.00 C ATOM 39 NH1 ARG A 3 -2.475 7.582 9.333 1.00 0.00 N ATOM 40 NH2 ARG A 3 -4.687 8.210 9.494 1.00 0.00 N ATOM 0 H ARG A 3 -2.900 13.471 5.500 1.00 0.00 H new ATOM 0 HA ARG A 3 -1.421 14.236 7.915 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.388 11.937 8.529 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -3.032 12.329 8.068 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.896 11.101 6.048 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.144 11.091 6.057 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -1.879 8.890 6.692 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -1.200 9.651 8.117 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.060 10.076 8.003 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -1.545 7.725 8.940 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -2.643 6.811 9.980 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.454 8.828 9.230 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -4.853 7.438 10.140 1.00 0.00 H new ATOM 54 N ASP A 4 0.799 13.041 7.124 1.00 0.00 N ATOM 55 CA ASP A 4 2.097 12.685 6.612 1.00 0.00 C ATOM 56 C ASP A 4 2.125 11.178 6.489 1.00 0.00 C ATOM 57 O ASP A 4 1.187 10.503 6.931 1.00 0.00 O ATOM 58 CB ASP A 4 3.187 13.130 7.577 1.00 0.00 C ATOM 59 CG ASP A 4 3.151 12.351 8.879 1.00 0.00 C ATOM 60 OD1 ASP A 4 2.153 12.435 9.617 1.00 0.00 O ATOM 61 OD2 ASP A 4 4.083 11.578 9.135 1.00 0.00 O ATOM 0 H ASP A 4 0.757 13.076 8.143 1.00 0.00 H new ATOM 0 HA ASP A 4 2.274 13.168 5.651 1.00 0.00 H new ATOM 0 HB2 ASP A 4 4.162 13.003 7.106 1.00 0.00 H new ATOM 0 HB3 ASP A 4 3.072 14.193 7.788 1.00 0.00 H new ATOM 66 N PHE A 5 3.167 10.637 5.925 1.00 0.00 N ATOM 67 CA PHE A 5 3.211 9.223 5.697 1.00 0.00 C ATOM 68 C PHE A 5 4.531 8.652 6.123 1.00 0.00 C ATOM 69 O PHE A 5 5.591 9.045 5.626 1.00 0.00 O ATOM 70 CB PHE A 5 2.920 8.903 4.240 1.00 0.00 C ATOM 71 CG PHE A 5 1.553 9.324 3.789 1.00 0.00 C ATOM 72 CD1 PHE A 5 0.471 8.500 3.988 1.00 0.00 C ATOM 73 CD2 PHE A 5 1.356 10.539 3.159 1.00 0.00 C ATOM 74 CE1 PHE A 5 -0.787 8.872 3.574 1.00 0.00 C ATOM 75 CE2 PHE A 5 0.101 10.913 2.739 1.00 0.00 C ATOM 76 CZ PHE A 5 -0.974 10.073 2.949 1.00 0.00 C ATOM 0 H PHE A 5 3.992 11.151 5.617 1.00 0.00 H new ATOM 0 HA PHE A 5 2.436 8.757 6.305 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.666 9.393 3.614 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.029 7.830 4.085 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.610 7.547 4.476 1.00 0.00 H new ATOM 0 HD2 PHE A 5 2.195 11.200 2.995 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.627 8.215 3.743 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.043 11.863 2.245 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.961 10.364 2.620 1.00 0.00 H new ATOM 86 N LYS A 6 4.457 7.752 7.045 1.00 0.00 N ATOM 87 CA LYS A 6 5.588 7.098 7.623 1.00 0.00 C ATOM 88 C LYS A 6 5.459 5.619 7.355 1.00 0.00 C ATOM 89 O LYS A 6 4.343 5.143 7.108 1.00 0.00 O ATOM 90 CB LYS A 6 5.541 7.338 9.126 1.00 0.00 C ATOM 91 CG LYS A 6 5.630 8.801 9.488 1.00 0.00 C ATOM 92 CD LYS A 6 5.130 9.084 10.891 1.00 0.00 C ATOM 93 CE LYS A 6 3.622 8.788 11.040 1.00 0.00 C ATOM 94 NZ LYS A 6 2.809 9.409 9.960 1.00 0.00 N ATOM 0 H LYS A 6 3.569 7.437 7.435 1.00 0.00 H new ATOM 0 HA LYS A 6 6.523 7.474 7.206 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.615 6.925 9.526 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.362 6.800 9.601 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.665 9.131 9.401 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.049 9.385 8.774 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.690 8.479 11.604 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.321 10.128 11.140 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.465 7.709 11.034 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.277 9.155 12.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.035 9.961 10.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.411 10.036 9.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.411 8.664 9.353 1.00 0.00 H new ATOM 108 N PRO A 7 6.574 4.868 7.350 1.00 0.00 N ATOM 109 CA PRO A 7 6.520 3.417 7.226 1.00 0.00 C ATOM 110 C PRO A 7 5.618 2.846 8.316 1.00 0.00 C ATOM 111 O PRO A 7 5.850 3.068 9.509 1.00 0.00 O ATOM 112 CB PRO A 7 7.971 2.981 7.439 1.00 0.00 C ATOM 113 CG PRO A 7 8.783 4.169 7.069 1.00 0.00 C ATOM 114 CD PRO A 7 7.958 5.366 7.443 1.00 0.00 C ATOM 0 HA PRO A 7 6.119 3.075 6.272 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.148 2.688 8.474 1.00 0.00 H new ATOM 0 HB3 PRO A 7 8.221 2.122 6.817 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.736 4.171 7.598 1.00 0.00 H new ATOM 0 HG3 PRO A 7 9.011 4.170 6.003 1.00 0.00 H new ATOM 0 HD2 PRO A 7 8.192 5.718 8.448 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.131 6.201 6.765 1.00 0.00 H new ATOM 122 N GLY A 8 4.589 2.161 7.906 1.00 0.00 N ATOM 123 CA GLY A 8 3.623 1.661 8.838 1.00 0.00 C ATOM 124 C GLY A 8 2.249 2.279 8.635 1.00 0.00 C ATOM 125 O GLY A 8 1.243 1.658 8.994 1.00 0.00 O ATOM 0 H GLY A 8 4.398 1.936 6.930 1.00 0.00 H new ATOM 0 HA2 GLY A 8 3.550 0.578 8.736 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.963 1.863 9.854 1.00 0.00 H new ATOM 129 N ASP A 9 2.192 3.485 8.042 1.00 0.00 N ATOM 130 CA ASP A 9 0.895 4.133 7.756 1.00 0.00 C ATOM 131 C ASP A 9 0.075 3.293 6.792 1.00 0.00 C ATOM 132 O ASP A 9 0.547 2.924 5.695 1.00 0.00 O ATOM 133 CB ASP A 9 1.023 5.587 7.200 1.00 0.00 C ATOM 134 CG ASP A 9 1.135 6.689 8.265 1.00 0.00 C ATOM 135 OD1 ASP A 9 0.086 7.082 8.845 1.00 0.00 O ATOM 136 OD2 ASP A 9 2.251 7.219 8.493 1.00 0.00 O ATOM 0 H ASP A 9 3.010 4.023 7.756 1.00 0.00 H new ATOM 0 HA ASP A 9 0.388 4.206 8.718 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.901 5.636 6.556 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.156 5.797 6.574 1.00 0.00 H new ATOM 141 N LEU A 10 -1.121 2.949 7.218 1.00 0.00 N ATOM 142 CA LEU A 10 -2.055 2.197 6.403 1.00 0.00 C ATOM 143 C LEU A 10 -2.706 3.140 5.461 1.00 0.00 C ATOM 144 O LEU A 10 -3.305 4.142 5.882 1.00 0.00 O ATOM 145 CB LEU A 10 -3.110 1.503 7.270 1.00 0.00 C ATOM 146 CG LEU A 10 -2.585 0.488 8.272 1.00 0.00 C ATOM 147 CD1 LEU A 10 -3.730 -0.142 9.048 1.00 0.00 C ATOM 148 CD2 LEU A 10 -1.786 -0.571 7.557 1.00 0.00 C ATOM 0 H LEU A 10 -1.476 3.184 8.145 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.520 1.420 5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.665 2.267 7.814 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.820 1.001 6.612 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.937 1.000 8.983 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.332 -0.866 9.760 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.276 0.634 9.585 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.404 -0.647 8.356 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.412 -1.295 8.281 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.421 -1.078 6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.945 -0.107 7.042 1.00 0.00 H new ATOM 160 N ILE A 11 -2.614 2.849 4.204 1.00 0.00 N ATOM 161 CA ILE A 11 -3.066 3.753 3.209 1.00 0.00 C ATOM 162 C ILE A 11 -3.755 3.052 2.043 1.00 0.00 C ATOM 163 O ILE A 11 -3.985 1.846 2.039 1.00 0.00 O ATOM 164 CB ILE A 11 -1.875 4.536 2.614 1.00 0.00 C ATOM 165 CG1 ILE A 11 -0.814 3.552 2.155 1.00 0.00 C ATOM 166 CG2 ILE A 11 -1.292 5.507 3.623 1.00 0.00 C ATOM 167 CD1 ILE A 11 0.074 4.078 1.096 1.00 0.00 C ATOM 0 H ILE A 11 -2.223 1.979 3.843 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.777 4.411 3.709 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.229 5.121 1.765 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.207 3.261 3.013 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.304 2.649 1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.456 6.042 3.172 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.058 6.221 3.926 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.942 4.957 4.497 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.804 3.317 0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.520 4.342 0.221 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.593 4.963 1.463 1.00 0.00 H new ATOM 179 N PHE A 12 -4.081 3.849 1.088 1.00 0.00 N ATOM 180 CA PHE A 12 -4.555 3.449 -0.173 1.00 0.00 C ATOM 181 C PHE A 12 -3.620 4.024 -1.180 1.00 0.00 C ATOM 182 O PHE A 12 -3.291 5.215 -1.123 1.00 0.00 O ATOM 183 CB PHE A 12 -5.954 3.955 -0.452 1.00 0.00 C ATOM 184 CG PHE A 12 -7.045 3.237 0.278 1.00 0.00 C ATOM 185 CD1 PHE A 12 -7.503 2.017 -0.188 1.00 0.00 C ATOM 186 CD2 PHE A 12 -7.622 3.773 1.407 1.00 0.00 C ATOM 187 CE1 PHE A 12 -8.511 1.346 0.460 1.00 0.00 C ATOM 188 CE2 PHE A 12 -8.637 3.104 2.061 1.00 0.00 C ATOM 189 CZ PHE A 12 -9.081 1.890 1.585 1.00 0.00 C ATOM 0 H PHE A 12 -4.016 4.863 1.181 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.599 2.361 -0.213 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.000 5.013 -0.193 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -6.144 3.880 -1.523 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.061 1.586 -1.074 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.278 4.725 1.784 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.855 0.393 0.086 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.083 3.533 2.946 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.876 1.367 2.096 1.00 0.00 H new ATOM 199 N ALA A 13 -3.183 3.206 -2.055 1.00 0.00 N ATOM 200 CA ALA A 13 -2.254 3.570 -3.053 1.00 0.00 C ATOM 201 C ALA A 13 -2.935 3.608 -4.375 1.00 0.00 C ATOM 202 O ALA A 13 -3.551 2.640 -4.796 1.00 0.00 O ATOM 203 CB ALA A 13 -1.148 2.581 -3.068 1.00 0.00 C ATOM 0 H ALA A 13 -3.471 2.229 -2.099 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.846 4.559 -2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.425 2.855 -3.837 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.656 2.570 -2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.549 1.590 -3.283 1.00 0.00 H new ATOM 209 N LYS A 14 -2.842 4.708 -5.007 1.00 0.00 N ATOM 210 CA LYS A 14 -3.475 4.917 -6.244 1.00 0.00 C ATOM 211 C LYS A 14 -2.458 4.958 -7.387 1.00 0.00 C ATOM 212 O LYS A 14 -1.503 5.733 -7.362 1.00 0.00 O ATOM 213 CB LYS A 14 -4.328 6.183 -6.108 1.00 0.00 C ATOM 214 CG LYS A 14 -5.037 6.598 -7.347 1.00 0.00 C ATOM 215 CD LYS A 14 -4.121 7.389 -8.222 1.00 0.00 C ATOM 216 CE LYS A 14 -4.014 8.839 -7.750 1.00 0.00 C ATOM 217 NZ LYS A 14 -2.967 9.609 -8.472 1.00 0.00 N ATOM 0 H LYS A 14 -2.309 5.510 -4.670 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.132 4.088 -6.506 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.065 6.024 -5.321 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.687 7.002 -5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.395 5.719 -7.883 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.913 7.194 -7.092 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.132 6.931 -8.224 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.485 7.365 -9.249 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.977 9.331 -7.885 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.796 8.853 -6.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.386 10.473 -8.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.208 9.867 -7.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.574 9.026 -9.239 1.00 0.00 H new ATOM 231 N MET A 15 -2.696 4.135 -8.393 1.00 0.00 N ATOM 232 CA MET A 15 -1.839 4.048 -9.560 1.00 0.00 C ATOM 233 C MET A 15 -2.661 4.255 -10.812 1.00 0.00 C ATOM 234 O MET A 15 -3.866 4.067 -10.801 1.00 0.00 O ATOM 235 CB MET A 15 -1.130 2.697 -9.669 1.00 0.00 C ATOM 236 CG MET A 15 -0.234 2.337 -8.509 1.00 0.00 C ATOM 237 SD MET A 15 0.841 0.940 -8.896 1.00 0.00 S ATOM 238 CE MET A 15 -0.366 -0.340 -9.259 1.00 0.00 C ATOM 0 H MET A 15 -3.496 3.503 -8.422 1.00 0.00 H new ATOM 0 HA MET A 15 -1.081 4.824 -9.453 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.885 1.918 -9.778 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.533 2.692 -10.581 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.375 3.200 -8.240 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.845 2.095 -7.640 1.00 0.00 H new ATOM 0 HE1 MET A 15 -0.048 -1.279 -8.807 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.335 -0.052 -8.852 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.448 -0.467 -10.338 1.00 0.00 H new ATOM 248 N LYS A 16 -2.005 4.652 -11.884 1.00 0.00 N ATOM 249 CA LYS A 16 -2.671 4.873 -13.167 1.00 0.00 C ATOM 250 C LYS A 16 -3.313 3.574 -13.683 1.00 0.00 C ATOM 251 O LYS A 16 -2.585 2.626 -14.040 1.00 0.00 O ATOM 252 CB LYS A 16 -1.629 5.284 -14.191 1.00 0.00 C ATOM 253 CG LYS A 16 -2.204 5.590 -15.566 1.00 0.00 C ATOM 254 CD LYS A 16 -1.151 5.448 -16.651 1.00 0.00 C ATOM 255 CE LYS A 16 -0.980 3.982 -17.141 1.00 0.00 C ATOM 256 NZ LYS A 16 -0.604 2.999 -16.067 1.00 0.00 N ATOM 0 H LYS A 16 -1.001 4.832 -11.898 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.435 5.637 -13.027 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.101 6.164 -13.825 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.892 4.487 -14.285 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.035 4.916 -15.773 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.606 6.603 -15.577 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.421 6.079 -17.497 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.196 5.813 -16.273 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.913 3.656 -17.602 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.216 3.960 -17.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.396 2.076 -16.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.237 3.342 -15.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.393 2.898 -15.397 1.00 0.00 H new ATOM 270 N GLY A 17 -4.632 3.564 -13.793 1.00 0.00 N ATOM 271 CA GLY A 17 -5.346 2.398 -14.308 1.00 0.00 C ATOM 272 C GLY A 17 -5.870 1.512 -13.194 1.00 0.00 C ATOM 273 O GLY A 17 -6.605 0.529 -13.434 1.00 0.00 O ATOM 0 H GLY A 17 -5.232 4.347 -13.534 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.178 2.728 -14.930 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.680 1.819 -14.948 1.00 0.00 H new ATOM 277 N TYR A 18 -5.513 1.852 -11.989 1.00 0.00 N ATOM 278 CA TYR A 18 -5.888 1.097 -10.839 1.00 0.00 C ATOM 279 C TYR A 18 -6.676 1.982 -9.902 1.00 0.00 C ATOM 280 O TYR A 18 -6.498 3.199 -9.906 1.00 0.00 O ATOM 281 CB TYR A 18 -4.632 0.565 -10.119 1.00 0.00 C ATOM 282 CG TYR A 18 -3.796 -0.402 -10.936 1.00 0.00 C ATOM 283 CD1 TYR A 18 -2.864 0.057 -11.860 1.00 0.00 C ATOM 284 CD2 TYR A 18 -3.934 -1.772 -10.776 1.00 0.00 C ATOM 285 CE1 TYR A 18 -2.100 -0.817 -12.597 1.00 0.00 C ATOM 286 CE2 TYR A 18 -3.169 -2.655 -11.512 1.00 0.00 C ATOM 287 CZ TYR A 18 -2.254 -2.169 -12.422 1.00 0.00 C ATOM 288 OH TYR A 18 -1.489 -3.034 -13.155 1.00 0.00 O ATOM 0 H TYR A 18 -4.946 2.673 -11.780 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.500 0.249 -11.148 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.008 1.411 -9.832 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.940 0.070 -9.198 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.738 1.120 -12.002 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.651 -2.155 -10.065 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.382 -0.441 -13.311 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.287 -3.720 -11.376 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.716 -3.956 -12.914 1.00 0.00 H new ATOM 298 N PRO A 19 -7.582 1.408 -9.120 1.00 0.00 N ATOM 299 CA PRO A 19 -8.300 2.156 -8.117 1.00 0.00 C ATOM 300 C PRO A 19 -7.399 2.358 -6.907 1.00 0.00 C ATOM 301 O PRO A 19 -6.289 1.805 -6.866 1.00 0.00 O ATOM 302 CB PRO A 19 -9.482 1.247 -7.769 1.00 0.00 C ATOM 303 CG PRO A 19 -8.991 -0.133 -8.031 1.00 0.00 C ATOM 304 CD PRO A 19 -7.967 -0.018 -9.132 1.00 0.00 C ATOM 0 HA PRO A 19 -8.621 3.144 -8.447 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.782 1.369 -6.728 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.353 1.480 -8.381 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.549 -0.565 -7.133 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.811 -0.787 -8.329 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.109 -0.664 -8.947 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.384 -0.310 -10.096 1.00 0.00 H new ATOM 312 N HIS A 20 -7.829 3.176 -5.966 1.00 0.00 N ATOM 313 CA HIS A 20 -7.077 3.361 -4.738 1.00 0.00 C ATOM 314 C HIS A 20 -7.006 1.981 -4.037 1.00 0.00 C ATOM 315 O HIS A 20 -8.017 1.479 -3.571 1.00 0.00 O ATOM 316 CB HIS A 20 -7.809 4.379 -3.832 1.00 0.00 C ATOM 317 CG HIS A 20 -7.891 5.776 -4.389 1.00 0.00 C ATOM 318 ND1 HIS A 20 -8.877 6.221 -5.255 1.00 0.00 N ATOM 319 CD2 HIS A 20 -7.071 6.830 -4.198 1.00 0.00 C ATOM 320 CE1 HIS A 20 -8.613 7.499 -5.558 1.00 0.00 C ATOM 321 NE2 HIS A 20 -7.533 7.914 -4.941 1.00 0.00 N ATOM 0 H HIS A 20 -8.689 3.720 -6.026 1.00 0.00 H new ATOM 0 HA HIS A 20 -6.076 3.742 -4.942 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.820 4.017 -3.646 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.302 4.417 -2.868 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.194 6.833 -3.568 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -9.210 8.106 -6.222 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -7.115 8.843 -4.994 1.00 0.00 H new ATOM 329 N TRP A 21 -5.835 1.395 -4.000 1.00 0.00 N ATOM 330 CA TRP A 21 -5.638 0.017 -3.547 1.00 0.00 C ATOM 331 C TRP A 21 -5.150 0.011 -2.102 1.00 0.00 C ATOM 332 O TRP A 21 -4.323 0.834 -1.753 1.00 0.00 O ATOM 333 CB TRP A 21 -4.556 -0.604 -4.448 1.00 0.00 C ATOM 334 CG TRP A 21 -4.487 -2.104 -4.472 1.00 0.00 C ATOM 335 CD1 TRP A 21 -4.039 -2.949 -3.492 1.00 0.00 C ATOM 336 CD2 TRP A 21 -4.839 -2.928 -5.578 1.00 0.00 C ATOM 337 NE1 TRP A 21 -4.128 -4.253 -3.922 1.00 0.00 N ATOM 338 CE2 TRP A 21 -4.610 -4.261 -5.205 1.00 0.00 C ATOM 339 CE3 TRP A 21 -5.340 -2.660 -6.855 1.00 0.00 C ATOM 340 CZ2 TRP A 21 -4.864 -5.319 -6.063 1.00 0.00 C ATOM 341 CZ3 TRP A 21 -5.590 -3.713 -7.704 1.00 0.00 C ATOM 342 CH2 TRP A 21 -5.352 -5.029 -7.304 1.00 0.00 C ATOM 0 H TRP A 21 -4.972 1.858 -4.285 1.00 0.00 H new ATOM 0 HA TRP A 21 -6.571 -0.544 -3.602 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -4.718 -0.253 -5.467 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.586 -0.222 -4.129 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -3.671 -2.638 -2.525 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.877 -5.077 -3.376 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -5.528 -1.644 -7.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -4.682 -6.339 -5.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -5.976 -3.519 -8.694 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -5.559 -5.836 -7.992 1.00 0.00 H new ATOM 353 N PRO A 22 -5.654 -0.894 -1.238 1.00 0.00 N ATOM 354 CA PRO A 22 -5.180 -0.986 0.147 1.00 0.00 C ATOM 355 C PRO A 22 -3.685 -1.317 0.187 1.00 0.00 C ATOM 356 O PRO A 22 -3.252 -2.379 -0.298 1.00 0.00 O ATOM 357 CB PRO A 22 -5.981 -2.147 0.745 1.00 0.00 C ATOM 358 CG PRO A 22 -7.109 -2.401 -0.191 1.00 0.00 C ATOM 359 CD PRO A 22 -6.703 -1.883 -1.537 1.00 0.00 C ATOM 0 HA PRO A 22 -5.314 -0.050 0.689 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.358 -3.035 0.853 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -6.350 -1.894 1.739 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -7.332 -3.467 -0.242 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -8.014 -1.902 0.155 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.327 -2.683 -2.175 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.544 -1.427 -2.059 1.00 0.00 H new ATOM 367 N ALA A 23 -2.906 -0.427 0.746 1.00 0.00 N ATOM 368 CA ALA A 23 -1.501 -0.570 0.786 1.00 0.00 C ATOM 369 C ALA A 23 -0.954 -0.031 2.094 1.00 0.00 C ATOM 370 O ALA A 23 -1.669 0.595 2.863 1.00 0.00 O ATOM 371 CB ALA A 23 -0.911 0.177 -0.378 1.00 0.00 C ATOM 0 H ALA A 23 -3.250 0.425 1.189 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.234 -1.625 0.720 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.174 0.077 -0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.300 -0.235 -1.309 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.179 1.231 -0.307 1.00 0.00 H new ATOM 377 N ARG A 24 0.268 -0.322 2.379 1.00 0.00 N ATOM 378 CA ARG A 24 0.909 0.225 3.549 1.00 0.00 C ATOM 379 C ARG A 24 2.169 0.889 3.089 1.00 0.00 C ATOM 380 O ARG A 24 2.757 0.459 2.092 1.00 0.00 O ATOM 381 CB ARG A 24 1.276 -0.875 4.564 1.00 0.00 C ATOM 382 CG ARG A 24 1.697 -0.344 5.941 1.00 0.00 C ATOM 383 CD ARG A 24 2.285 -1.437 6.829 1.00 0.00 C ATOM 384 NE ARG A 24 3.691 -1.696 6.499 1.00 0.00 N ATOM 385 CZ ARG A 24 4.170 -2.726 5.793 1.00 0.00 C ATOM 386 NH1 ARG A 24 3.384 -3.767 5.456 1.00 0.00 N ATOM 387 NH2 ARG A 24 5.446 -2.759 5.522 1.00 0.00 N ATOM 0 H ARG A 24 0.857 -0.940 1.820 1.00 0.00 H new ATOM 0 HA ARG A 24 0.229 0.920 4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.421 -1.539 4.689 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.088 -1.475 4.155 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.432 0.451 5.812 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.833 0.098 6.437 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.204 -1.141 7.875 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.707 -2.354 6.711 1.00 0.00 H new ATOM 0 HE ARG A 24 4.374 -1.021 6.844 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.404 -3.779 5.740 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.769 -4.543 4.917 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.056 -2.009 5.847 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.833 -3.535 4.985 1.00 0.00 H new ATOM 401 N VAL A 25 2.556 1.945 3.741 1.00 0.00 N ATOM 402 CA VAL A 25 3.843 2.519 3.467 1.00 0.00 C ATOM 403 C VAL A 25 4.860 1.560 4.073 1.00 0.00 C ATOM 404 O VAL A 25 4.802 1.279 5.281 1.00 0.00 O ATOM 405 CB VAL A 25 3.996 3.931 4.089 1.00 0.00 C ATOM 406 CG1 VAL A 25 5.344 4.544 3.723 1.00 0.00 C ATOM 407 CG2 VAL A 25 2.865 4.841 3.636 1.00 0.00 C ATOM 0 H VAL A 25 2.009 2.422 4.457 1.00 0.00 H new ATOM 0 HA VAL A 25 3.984 2.648 2.394 1.00 0.00 H new ATOM 0 HB VAL A 25 3.948 3.828 5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.427 5.534 4.171 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.146 3.908 4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.423 4.629 2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.990 5.827 4.083 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.883 4.930 2.550 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.910 4.419 3.950 1.00 0.00 H new ATOM 417 N ASP A 26 5.712 1.016 3.244 1.00 0.00 N ATOM 418 CA ASP A 26 6.673 0.016 3.681 1.00 0.00 C ATOM 419 C ASP A 26 7.952 0.734 4.114 1.00 0.00 C ATOM 420 O ASP A 26 8.012 1.977 4.109 1.00 0.00 O ATOM 421 CB ASP A 26 6.941 -1.042 2.555 1.00 0.00 C ATOM 422 CG ASP A 26 7.602 -2.347 3.067 1.00 0.00 C ATOM 423 OD1 ASP A 26 8.828 -2.418 3.181 1.00 0.00 O ATOM 424 OD2 ASP A 26 6.879 -3.324 3.411 1.00 0.00 O ATOM 0 H ASP A 26 5.766 1.246 2.252 1.00 0.00 H new ATOM 0 HA ASP A 26 6.274 -0.540 4.529 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.997 -1.290 2.070 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.582 -0.595 1.795 1.00 0.00 H new ATOM 429 N GLU A 27 8.933 -0.003 4.486 1.00 0.00 N ATOM 430 CA GLU A 27 10.140 0.526 4.994 1.00 0.00 C ATOM 431 C GLU A 27 11.201 0.501 3.903 1.00 0.00 C ATOM 432 O GLU A 27 11.000 -0.085 2.841 1.00 0.00 O ATOM 433 CB GLU A 27 10.615 -0.280 6.221 1.00 0.00 C ATOM 434 CG GLU A 27 9.560 -0.480 7.329 1.00 0.00 C ATOM 435 CD GLU A 27 8.569 -1.606 7.044 1.00 0.00 C ATOM 436 OE1 GLU A 27 8.926 -2.773 7.267 1.00 0.00 O ATOM 437 OE2 GLU A 27 7.428 -1.346 6.583 1.00 0.00 O ATOM 0 H GLU A 27 8.916 -1.022 4.443 1.00 0.00 H new ATOM 0 HA GLU A 27 9.971 1.555 5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.952 -1.260 5.883 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.480 0.223 6.653 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.070 -0.688 8.270 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.009 0.450 7.464 1.00 0.00 H new ATOM 444 N VAL A 28 12.305 1.163 4.140 1.00 0.00 N ATOM 445 CA VAL A 28 13.391 1.150 3.191 1.00 0.00 C ATOM 446 C VAL A 28 14.204 -0.094 3.426 1.00 0.00 C ATOM 447 O VAL A 28 14.638 -0.349 4.553 1.00 0.00 O ATOM 448 CB VAL A 28 14.304 2.388 3.326 1.00 0.00 C ATOM 449 CG1 VAL A 28 15.411 2.390 2.267 1.00 0.00 C ATOM 450 CG2 VAL A 28 13.478 3.636 3.225 1.00 0.00 C ATOM 0 H VAL A 28 12.476 1.717 4.979 1.00 0.00 H new ATOM 0 HA VAL A 28 12.969 1.168 2.186 1.00 0.00 H new ATOM 0 HB VAL A 28 14.788 2.352 4.302 1.00 0.00 H new ATOM 0 HG11 VAL A 28 16.034 3.276 2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 28 16.025 1.496 2.380 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.964 2.399 1.273 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.124 4.509 3.321 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.974 3.662 2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.735 3.646 4.022 1.00 0.00 H new ATOM 460 N PRO A 29 14.381 -0.911 2.402 1.00 0.00 N ATOM 461 CA PRO A 29 15.130 -2.122 2.535 1.00 0.00 C ATOM 462 C PRO A 29 16.620 -1.874 2.674 1.00 0.00 C ATOM 463 O PRO A 29 17.188 -1.021 1.978 1.00 0.00 O ATOM 464 CB PRO A 29 14.848 -2.897 1.252 1.00 0.00 C ATOM 465 CG PRO A 29 14.393 -1.880 0.260 1.00 0.00 C ATOM 466 CD PRO A 29 13.839 -0.722 1.044 1.00 0.00 C ATOM 0 HA PRO A 29 14.837 -2.660 3.437 1.00 0.00 H new ATOM 0 HB2 PRO A 29 15.742 -3.414 0.902 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.083 -3.657 1.413 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.222 -1.558 -0.371 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.633 -2.298 -0.401 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.152 0.232 0.620 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.749 -0.728 1.046 1.00 0.00 H new ATOM 474 N ASP A 30 17.243 -2.607 3.566 1.00 0.00 N ATOM 475 CA ASP A 30 18.679 -2.548 3.703 1.00 0.00 C ATOM 476 C ASP A 30 19.298 -3.212 2.493 1.00 0.00 C ATOM 477 O ASP A 30 18.688 -4.110 1.885 1.00 0.00 O ATOM 478 CB ASP A 30 19.160 -3.213 4.996 1.00 0.00 C ATOM 479 CG ASP A 30 20.677 -3.206 5.107 1.00 0.00 C ATOM 480 OD1 ASP A 30 21.283 -2.129 4.893 1.00 0.00 O ATOM 481 OD2 ASP A 30 21.259 -4.276 5.344 1.00 0.00 O ATOM 0 H ASP A 30 16.779 -3.251 4.207 1.00 0.00 H new ATOM 0 HA ASP A 30 18.989 -1.505 3.761 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.731 -2.694 5.853 1.00 0.00 H new ATOM 0 HB3 ASP A 30 18.798 -4.241 5.032 1.00 0.00 H new ATOM 486 N GLY A 31 20.446 -2.752 2.110 1.00 0.00 N ATOM 487 CA GLY A 31 21.077 -3.254 0.930 1.00 0.00 C ATOM 488 C GLY A 31 20.766 -2.388 -0.270 1.00 0.00 C ATOM 489 O GLY A 31 21.434 -2.482 -1.311 1.00 0.00 O ATOM 0 H GLY A 31 20.969 -2.026 2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 31 22.156 -3.296 1.081 1.00 0.00 H new ATOM 0 HA3 GLY A 31 20.742 -4.274 0.742 1.00 0.00 H new ATOM 493 N ALA A 32 19.738 -1.549 -0.148 1.00 0.00 N ATOM 494 CA ALA A 32 19.387 -0.633 -1.205 1.00 0.00 C ATOM 495 C ALA A 32 20.405 0.498 -1.293 1.00 0.00 C ATOM 496 O ALA A 32 20.327 1.484 -0.574 1.00 0.00 O ATOM 497 CB ALA A 32 17.981 -0.087 -1.019 1.00 0.00 C ATOM 0 H ALA A 32 19.140 -1.493 0.677 1.00 0.00 H new ATOM 0 HA ALA A 32 19.403 -1.183 -2.146 1.00 0.00 H new ATOM 0 HB1 ALA A 32 17.747 0.600 -1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 32 17.267 -0.911 -1.023 1.00 0.00 H new ATOM 0 HB3 ALA A 32 17.919 0.442 -0.068 1.00 0.00 H new ATOM 503 N VAL A 33 21.398 0.303 -2.141 1.00 0.00 N ATOM 504 CA VAL A 33 22.444 1.298 -2.362 1.00 0.00 C ATOM 505 C VAL A 33 21.956 2.428 -3.275 1.00 0.00 C ATOM 506 O VAL A 33 22.670 3.410 -3.534 1.00 0.00 O ATOM 507 CB VAL A 33 23.740 0.659 -2.941 1.00 0.00 C ATOM 508 CG1 VAL A 33 24.352 -0.306 -1.935 1.00 0.00 C ATOM 509 CG2 VAL A 33 23.460 -0.063 -4.258 1.00 0.00 C ATOM 0 H VAL A 33 21.507 -0.545 -2.697 1.00 0.00 H new ATOM 0 HA VAL A 33 22.685 1.721 -1.387 1.00 0.00 H new ATOM 0 HB VAL A 33 24.449 1.463 -3.138 1.00 0.00 H new ATOM 0 HG11 VAL A 33 25.257 -0.744 -2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 33 24.600 0.231 -1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 33 23.637 -1.097 -1.709 1.00 0.00 H new ATOM 0 HG21 VAL A 33 24.384 -0.499 -4.638 1.00 0.00 H new ATOM 0 HG22 VAL A 33 22.728 -0.853 -4.091 1.00 0.00 H new ATOM 0 HG23 VAL A 33 23.068 0.647 -4.986 1.00 0.00 H new ATOM 519 N LYS A 34 20.784 2.249 -3.832 1.00 0.00 N ATOM 520 CA LYS A 34 20.162 3.256 -4.609 1.00 0.00 C ATOM 521 C LYS A 34 18.996 3.822 -3.829 1.00 0.00 C ATOM 522 O LYS A 34 18.091 3.077 -3.457 1.00 0.00 O ATOM 523 CB LYS A 34 19.659 2.686 -5.938 1.00 0.00 C ATOM 524 CG LYS A 34 20.675 1.821 -6.688 1.00 0.00 C ATOM 525 CD LYS A 34 22.047 2.482 -6.776 1.00 0.00 C ATOM 526 CE LYS A 34 22.023 3.824 -7.502 1.00 0.00 C ATOM 527 NZ LYS A 34 23.360 4.477 -7.473 1.00 0.00 N ATOM 0 H LYS A 34 20.242 1.389 -3.750 1.00 0.00 H new ATOM 0 HA LYS A 34 20.890 4.038 -4.826 1.00 0.00 H new ATOM 0 HB2 LYS A 34 18.766 2.091 -5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.360 3.513 -6.582 1.00 0.00 H new ATOM 0 HG2 LYS A 34 20.770 0.858 -6.186 1.00 0.00 H new ATOM 0 HG3 LYS A 34 20.306 1.621 -7.694 1.00 0.00 H new ATOM 0 HD2 LYS A 34 22.438 2.628 -5.769 1.00 0.00 H new ATOM 0 HD3 LYS A 34 22.734 1.810 -7.290 1.00 0.00 H new ATOM 0 HE2 LYS A 34 21.711 3.675 -8.536 1.00 0.00 H new ATOM 0 HE3 LYS A 34 21.286 4.479 -7.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 23.313 5.387 -7.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 23.646 4.639 -6.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 24.057 3.861 -7.938 1.00 0.00 H new ATOM 541 N PRO A 35 19.014 5.125 -3.536 1.00 0.00 N ATOM 542 CA PRO A 35 17.912 5.774 -2.844 1.00 0.00 C ATOM 543 C PRO A 35 16.684 5.875 -3.758 1.00 0.00 C ATOM 544 O PRO A 35 16.820 5.870 -4.992 1.00 0.00 O ATOM 545 CB PRO A 35 18.443 7.182 -2.513 1.00 0.00 C ATOM 546 CG PRO A 35 19.895 7.166 -2.857 1.00 0.00 C ATOM 547 CD PRO A 35 20.089 6.065 -3.853 1.00 0.00 C ATOM 0 HA PRO A 35 17.600 5.222 -1.957 1.00 0.00 H new ATOM 0 HB2 PRO A 35 17.915 7.943 -3.087 1.00 0.00 H new ATOM 0 HB3 PRO A 35 18.294 7.417 -1.459 1.00 0.00 H new ATOM 0 HG2 PRO A 35 20.204 8.124 -3.274 1.00 0.00 H new ATOM 0 HG3 PRO A 35 20.502 6.995 -1.968 1.00 0.00 H new ATOM 0 HD2 PRO A 35 20.013 6.432 -4.877 1.00 0.00 H new ATOM 0 HD3 PRO A 35 21.070 5.601 -3.753 1.00 0.00 H new ATOM 555 N PRO A 36 15.478 5.959 -3.181 1.00 0.00 N ATOM 556 CA PRO A 36 14.260 6.040 -3.961 1.00 0.00 C ATOM 557 C PRO A 36 14.097 7.397 -4.658 1.00 0.00 C ATOM 558 O PRO A 36 14.780 8.367 -4.342 1.00 0.00 O ATOM 559 CB PRO A 36 13.148 5.826 -2.925 1.00 0.00 C ATOM 560 CG PRO A 36 13.741 6.252 -1.629 1.00 0.00 C ATOM 561 CD PRO A 36 15.219 5.982 -1.728 1.00 0.00 C ATOM 0 HA PRO A 36 14.249 5.307 -4.768 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.264 6.416 -3.167 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.835 4.782 -2.892 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.551 7.309 -1.444 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.300 5.699 -0.800 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.801 6.758 -1.230 1.00 0.00 H new ATOM 0 HD3 PRO A 36 15.484 5.034 -1.260 1.00 0.00 H new ATOM 569 N THR A 37 13.143 7.443 -5.556 1.00 0.00 N ATOM 570 CA THR A 37 12.785 8.593 -6.394 1.00 0.00 C ATOM 571 C THR A 37 12.242 9.819 -5.575 1.00 0.00 C ATOM 572 O THR A 37 11.679 10.744 -6.161 1.00 0.00 O ATOM 573 CB THR A 37 11.688 8.116 -7.361 1.00 0.00 C ATOM 574 OG1 THR A 37 12.051 6.814 -7.855 1.00 0.00 O ATOM 575 CG2 THR A 37 11.507 9.068 -8.547 1.00 0.00 C ATOM 0 H THR A 37 12.551 6.634 -5.743 1.00 0.00 H new ATOM 0 HA THR A 37 13.683 8.939 -6.905 1.00 0.00 H new ATOM 0 HB THR A 37 10.744 8.086 -6.816 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.360 6.494 -8.472 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.722 8.689 -9.201 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.229 10.056 -8.181 1.00 0.00 H new ATOM 0 HG23 THR A 37 12.441 9.137 -9.104 1.00 0.00 H new ATOM 583 N ASN A 38 12.360 9.776 -4.229 1.00 0.00 N ATOM 584 CA ASN A 38 11.741 10.782 -3.326 1.00 0.00 C ATOM 585 C ASN A 38 10.261 10.417 -3.122 1.00 0.00 C ATOM 586 O ASN A 38 9.459 11.115 -2.522 1.00 0.00 O ATOM 587 CB ASN A 38 12.047 12.258 -3.808 1.00 0.00 C ATOM 588 CG ASN A 38 11.013 13.309 -3.468 1.00 0.00 C ATOM 589 OD1 ASN A 38 11.050 13.935 -2.419 1.00 0.00 O ATOM 590 ND2 ASN A 38 10.108 13.534 -4.397 1.00 0.00 N ATOM 0 H ASN A 38 12.882 9.050 -3.738 1.00 0.00 H new ATOM 0 HA ASN A 38 12.190 10.758 -2.333 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.000 12.566 -3.378 1.00 0.00 H new ATOM 0 HB3 ASN A 38 12.175 12.243 -4.890 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.400 14.255 -4.256 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.114 12.987 -5.258 1.00 0.00 H new ATOM 597 N LYS A 39 9.964 9.228 -3.579 1.00 0.00 N ATOM 598 CA LYS A 39 8.686 8.624 -3.417 1.00 0.00 C ATOM 599 C LYS A 39 8.726 7.725 -2.209 1.00 0.00 C ATOM 600 O LYS A 39 9.809 7.375 -1.719 1.00 0.00 O ATOM 601 CB LYS A 39 8.324 7.781 -4.625 1.00 0.00 C ATOM 602 CG LYS A 39 7.994 8.537 -5.894 1.00 0.00 C ATOM 603 CD LYS A 39 7.601 7.538 -6.955 1.00 0.00 C ATOM 604 CE LYS A 39 6.978 8.168 -8.172 1.00 0.00 C ATOM 605 NZ LYS A 39 6.473 7.116 -9.095 1.00 0.00 N ATOM 0 H LYS A 39 10.629 8.645 -4.087 1.00 0.00 H new ATOM 0 HA LYS A 39 7.943 9.413 -3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.155 7.107 -4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.468 7.159 -4.364 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.181 9.241 -5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.854 9.120 -6.222 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.484 6.976 -7.259 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.899 6.822 -6.527 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.159 8.823 -7.873 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.712 8.790 -8.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.719 7.511 -9.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.251 6.780 -9.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.095 6.321 -8.541 1.00 0.00 H new ATOM 619 N LEU A 40 7.580 7.318 -1.775 1.00 0.00 N ATOM 620 CA LEU A 40 7.463 6.461 -0.629 1.00 0.00 C ATOM 621 C LEU A 40 7.260 5.028 -1.093 1.00 0.00 C ATOM 622 O LEU A 40 6.587 4.797 -2.115 1.00 0.00 O ATOM 623 CB LEU A 40 6.281 6.907 0.237 1.00 0.00 C ATOM 624 CG LEU A 40 6.367 8.329 0.808 1.00 0.00 C ATOM 625 CD1 LEU A 40 5.076 8.694 1.495 1.00 0.00 C ATOM 626 CD2 LEU A 40 7.529 8.452 1.786 1.00 0.00 C ATOM 0 H LEU A 40 6.689 7.569 -2.204 1.00 0.00 H new ATOM 0 HA LEU A 40 8.374 6.522 -0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.371 6.829 -0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.180 6.208 1.068 1.00 0.00 H new ATOM 0 HG LEU A 40 6.538 9.017 -0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.150 9.705 1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.256 8.647 0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.887 7.994 2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.569 9.469 2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.387 7.752 2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.463 8.224 1.272 1.00 0.00 H new ATOM 638 N PRO A 41 7.878 4.054 -0.402 1.00 0.00 N ATOM 639 CA PRO A 41 7.692 2.647 -0.718 1.00 0.00 C ATOM 640 C PRO A 41 6.294 2.203 -0.301 1.00 0.00 C ATOM 641 O PRO A 41 5.888 2.359 0.851 1.00 0.00 O ATOM 642 CB PRO A 41 8.769 1.932 0.110 1.00 0.00 C ATOM 643 CG PRO A 41 9.115 2.870 1.217 1.00 0.00 C ATOM 644 CD PRO A 41 8.797 4.260 0.735 1.00 0.00 C ATOM 0 HA PRO A 41 7.782 2.429 -1.782 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.398 0.985 0.501 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.644 1.705 -0.499 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.544 2.634 2.115 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.170 2.785 1.479 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.331 4.856 1.520 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.698 4.789 0.426 1.00 0.00 H new ATOM 652 N ILE A 42 5.559 1.689 -1.229 1.00 0.00 N ATOM 653 CA ILE A 42 4.196 1.318 -0.995 1.00 0.00 C ATOM 654 C ILE A 42 4.026 -0.171 -1.204 1.00 0.00 C ATOM 655 O ILE A 42 4.283 -0.678 -2.281 1.00 0.00 O ATOM 656 CB ILE A 42 3.247 2.058 -1.970 1.00 0.00 C ATOM 657 CG1 ILE A 42 3.471 3.589 -1.951 1.00 0.00 C ATOM 658 CG2 ILE A 42 1.801 1.721 -1.667 1.00 0.00 C ATOM 659 CD1 ILE A 42 3.280 4.248 -0.599 1.00 0.00 C ATOM 0 H ILE A 42 5.885 1.512 -2.179 1.00 0.00 H new ATOM 0 HA ILE A 42 3.946 1.590 0.030 1.00 0.00 H new ATOM 0 HB ILE A 42 3.482 1.712 -2.977 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.482 3.797 -2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.786 4.050 -2.663 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.150 2.251 -2.363 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.648 0.647 -1.773 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.563 2.022 -0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.459 5.320 -0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.261 4.078 -0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.983 3.821 0.116 1.00 0.00 H new ATOM 671 N PHE A 43 3.598 -0.842 -0.200 1.00 0.00 N ATOM 672 CA PHE A 43 3.366 -2.266 -0.262 1.00 0.00 C ATOM 673 C PHE A 43 1.894 -2.541 -0.507 1.00 0.00 C ATOM 674 O PHE A 43 1.052 -2.137 0.294 1.00 0.00 O ATOM 675 CB PHE A 43 3.823 -2.949 1.041 1.00 0.00 C ATOM 676 CG PHE A 43 3.392 -4.385 1.135 1.00 0.00 C ATOM 677 CD1 PHE A 43 4.019 -5.357 0.393 1.00 0.00 C ATOM 678 CD2 PHE A 43 2.334 -4.751 1.954 1.00 0.00 C ATOM 679 CE1 PHE A 43 3.601 -6.660 0.461 1.00 0.00 C ATOM 680 CE2 PHE A 43 1.919 -6.058 2.023 1.00 0.00 C ATOM 681 CZ PHE A 43 2.552 -7.014 1.276 1.00 0.00 C ATOM 0 H PHE A 43 3.391 -0.427 0.708 1.00 0.00 H new ATOM 0 HA PHE A 43 3.948 -2.676 -1.087 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.910 -2.897 1.110 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.422 -2.399 1.893 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.847 -5.092 -0.248 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.831 -3.999 2.544 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.099 -7.414 -0.130 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.095 -6.331 2.665 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.229 -8.043 1.327 1.00 0.00 H new ATOM 691 N PHE A 44 1.594 -3.211 -1.599 1.00 0.00 N ATOM 692 CA PHE A 44 0.211 -3.570 -1.926 1.00 0.00 C ATOM 693 C PHE A 44 -0.213 -4.860 -1.256 1.00 0.00 C ATOM 694 O PHE A 44 0.476 -5.891 -1.347 1.00 0.00 O ATOM 695 CB PHE A 44 -0.006 -3.746 -3.422 1.00 0.00 C ATOM 696 CG PHE A 44 0.105 -2.514 -4.239 1.00 0.00 C ATOM 697 CD1 PHE A 44 -0.842 -1.514 -4.137 1.00 0.00 C ATOM 698 CD2 PHE A 44 1.136 -2.364 -5.129 1.00 0.00 C ATOM 699 CE1 PHE A 44 -0.752 -0.385 -4.907 1.00 0.00 C ATOM 700 CE2 PHE A 44 1.227 -1.242 -5.899 1.00 0.00 C ATOM 701 CZ PHE A 44 0.282 -0.249 -5.788 1.00 0.00 C ATOM 0 H PHE A 44 2.283 -3.523 -2.283 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.389 -2.737 -1.560 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.718 -4.471 -3.792 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.996 -4.175 -3.579 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -1.662 -1.623 -3.443 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.882 -3.140 -5.221 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.495 0.394 -4.818 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.043 -1.133 -6.598 1.00 0.00 H new ATOM 0 HZ PHE A 44 0.358 0.639 -6.398 1.00 0.00 H new ATOM 711 N PHE A 45 -1.356 -4.824 -0.635 1.00 0.00 N ATOM 712 CA PHE A 45 -1.916 -5.993 -0.022 1.00 0.00 C ATOM 713 C PHE A 45 -2.687 -6.794 -1.056 1.00 0.00 C ATOM 714 O PHE A 45 -3.111 -6.248 -2.085 1.00 0.00 O ATOM 715 CB PHE A 45 -2.822 -5.613 1.136 1.00 0.00 C ATOM 716 CG PHE A 45 -2.080 -5.033 2.282 1.00 0.00 C ATOM 717 CD1 PHE A 45 -1.471 -5.855 3.193 1.00 0.00 C ATOM 718 CD2 PHE A 45 -1.985 -3.677 2.447 1.00 0.00 C ATOM 719 CE1 PHE A 45 -0.780 -5.338 4.250 1.00 0.00 C ATOM 720 CE2 PHE A 45 -1.293 -3.149 3.504 1.00 0.00 C ATOM 721 CZ PHE A 45 -0.688 -3.981 4.410 1.00 0.00 C ATOM 0 H PHE A 45 -1.926 -3.984 -0.539 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.104 -6.605 0.371 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.565 -4.894 0.789 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.365 -6.497 1.471 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.539 -6.926 3.073 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.461 -3.017 1.736 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.306 -5.999 4.960 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.224 -2.078 3.624 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.142 -3.569 5.245 1.00 0.00 H new ATOM 731 N GLY A 46 -2.818 -8.079 -0.815 1.00 0.00 N ATOM 732 CA GLY A 46 -3.542 -8.985 -1.692 1.00 0.00 C ATOM 733 C GLY A 46 -2.747 -9.409 -2.907 1.00 0.00 C ATOM 734 O GLY A 46 -3.055 -10.419 -3.538 1.00 0.00 O ATOM 0 H GLY A 46 -2.421 -8.535 0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.830 -9.872 -1.128 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.463 -8.503 -2.020 1.00 0.00 H new ATOM 738 N THR A 47 -1.732 -8.655 -3.238 1.00 0.00 N ATOM 739 CA THR A 47 -0.856 -9.010 -4.318 1.00 0.00 C ATOM 740 C THR A 47 0.557 -9.205 -3.804 1.00 0.00 C ATOM 741 O THR A 47 1.329 -9.938 -4.388 1.00 0.00 O ATOM 742 CB THR A 47 -0.864 -7.898 -5.377 1.00 0.00 C ATOM 743 OG1 THR A 47 -0.726 -6.625 -4.713 1.00 0.00 O ATOM 744 CG2 THR A 47 -2.154 -7.915 -6.186 1.00 0.00 C ATOM 0 H THR A 47 -1.492 -7.782 -2.768 1.00 0.00 H new ATOM 0 HA THR A 47 -1.206 -9.942 -4.762 1.00 0.00 H new ATOM 0 HB THR A 47 -0.034 -8.062 -6.065 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.728 -5.907 -5.379 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.129 -7.116 -6.927 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.254 -8.876 -6.691 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.003 -7.765 -5.520 1.00 0.00 H new ATOM 752 N HIS A 48 0.853 -8.576 -2.645 1.00 0.00 N ATOM 753 CA HIS A 48 2.180 -8.636 -2.001 1.00 0.00 C ATOM 754 C HIS A 48 3.238 -7.920 -2.823 1.00 0.00 C ATOM 755 O HIS A 48 4.426 -8.104 -2.598 1.00 0.00 O ATOM 756 CB HIS A 48 2.628 -10.078 -1.658 1.00 0.00 C ATOM 757 CG HIS A 48 1.912 -10.694 -0.495 1.00 0.00 C ATOM 758 ND1 HIS A 48 2.502 -11.605 0.360 1.00 0.00 N ATOM 759 CD2 HIS A 48 0.644 -10.542 -0.051 1.00 0.00 C ATOM 760 CE1 HIS A 48 1.623 -11.979 1.271 1.00 0.00 C ATOM 761 NE2 HIS A 48 0.493 -11.348 1.039 1.00 0.00 N ATOM 0 H HIS A 48 0.176 -8.012 -2.131 1.00 0.00 H new ATOM 0 HA HIS A 48 2.071 -8.110 -1.053 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.479 -10.709 -2.535 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.697 -10.072 -1.447 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.111 -9.900 -0.481 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.801 -12.683 2.070 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -0.361 -11.446 1.587 1.00 0.00 H new ATOM 770 N GLU A 49 2.789 -7.060 -3.710 1.00 0.00 N ATOM 771 CA GLU A 49 3.666 -6.291 -4.565 1.00 0.00 C ATOM 772 C GLU A 49 4.088 -5.010 -3.900 1.00 0.00 C ATOM 773 O GLU A 49 3.533 -4.618 -2.877 1.00 0.00 O ATOM 774 CB GLU A 49 2.986 -5.982 -5.887 1.00 0.00 C ATOM 775 CG GLU A 49 2.933 -7.162 -6.825 1.00 0.00 C ATOM 776 CD GLU A 49 4.322 -7.636 -7.197 1.00 0.00 C ATOM 777 OE1 GLU A 49 4.888 -7.091 -8.162 1.00 0.00 O ATOM 778 OE2 GLU A 49 4.856 -8.523 -6.505 1.00 0.00 O ATOM 0 H GLU A 49 1.797 -6.873 -3.859 1.00 0.00 H new ATOM 0 HA GLU A 49 4.555 -6.893 -4.752 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.971 -5.636 -5.693 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.514 -5.163 -6.375 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.382 -7.977 -6.356 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.387 -6.887 -7.727 1.00 0.00 H new ATOM 785 N THR A 50 5.054 -4.351 -4.465 1.00 0.00 N ATOM 786 CA THR A 50 5.529 -3.113 -3.912 1.00 0.00 C ATOM 787 C THR A 50 5.693 -2.079 -5.025 1.00 0.00 C ATOM 788 O THR A 50 6.097 -2.404 -6.136 1.00 0.00 O ATOM 789 CB THR A 50 6.866 -3.308 -3.186 1.00 0.00 C ATOM 790 OG1 THR A 50 6.798 -4.499 -2.391 1.00 0.00 O ATOM 791 CG2 THR A 50 7.154 -2.134 -2.261 1.00 0.00 C ATOM 0 H THR A 50 5.533 -4.650 -5.314 1.00 0.00 H new ATOM 0 HA THR A 50 4.795 -2.760 -3.188 1.00 0.00 H new ATOM 0 HB THR A 50 7.657 -3.381 -3.932 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.503 -4.479 -1.711 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.107 -2.294 -1.756 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.202 -1.214 -2.844 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.360 -2.052 -1.519 1.00 0.00 H new ATOM 799 N ALA A 51 5.372 -0.867 -4.711 1.00 0.00 N ATOM 800 CA ALA A 51 5.429 0.239 -5.638 1.00 0.00 C ATOM 801 C ALA A 51 5.980 1.465 -4.953 1.00 0.00 C ATOM 802 O ALA A 51 6.317 1.424 -3.776 1.00 0.00 O ATOM 803 CB ALA A 51 4.047 0.541 -6.144 1.00 0.00 C ATOM 0 H ALA A 51 5.053 -0.601 -3.779 1.00 0.00 H new ATOM 0 HA ALA A 51 6.080 -0.032 -6.469 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.090 1.376 -6.844 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.645 -0.337 -6.650 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.402 0.803 -5.306 1.00 0.00 H new ATOM 809 N PHE A 52 6.086 2.541 -5.704 1.00 0.00 N ATOM 810 CA PHE A 52 6.554 3.813 -5.199 1.00 0.00 C ATOM 811 C PHE A 52 5.644 4.921 -5.686 1.00 0.00 C ATOM 812 O PHE A 52 5.545 5.175 -6.918 1.00 0.00 O ATOM 813 CB PHE A 52 7.991 4.090 -5.641 1.00 0.00 C ATOM 814 CG PHE A 52 9.011 3.159 -5.031 1.00 0.00 C ATOM 815 CD1 PHE A 52 9.582 3.458 -3.804 1.00 0.00 C ATOM 816 CD2 PHE A 52 9.385 1.985 -5.668 1.00 0.00 C ATOM 817 CE1 PHE A 52 10.504 2.608 -3.227 1.00 0.00 C ATOM 818 CE2 PHE A 52 10.306 1.132 -5.093 1.00 0.00 C ATOM 819 CZ PHE A 52 10.866 1.444 -3.871 1.00 0.00 C ATOM 0 H PHE A 52 5.846 2.556 -6.695 1.00 0.00 H new ATOM 0 HA PHE A 52 6.536 3.775 -4.110 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.048 4.013 -6.727 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.249 5.116 -5.380 1.00 0.00 H new ATOM 0 HD1 PHE A 52 9.302 4.367 -3.293 1.00 0.00 H new ATOM 0 HD2 PHE A 52 8.951 1.735 -6.625 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.942 2.855 -2.271 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.588 0.221 -5.600 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.586 0.778 -3.420 1.00 0.00 H new ATOM 829 N LEU A 53 5.004 5.589 -4.772 1.00 0.00 N ATOM 830 CA LEU A 53 4.086 6.665 -5.102 1.00 0.00 C ATOM 831 C LEU A 53 4.416 7.892 -4.292 1.00 0.00 C ATOM 832 O LEU A 53 5.302 7.852 -3.432 1.00 0.00 O ATOM 833 CB LEU A 53 2.632 6.244 -4.867 1.00 0.00 C ATOM 834 CG LEU A 53 2.117 5.092 -5.733 1.00 0.00 C ATOM 835 CD1 LEU A 53 0.749 4.677 -5.276 1.00 0.00 C ATOM 836 CD2 LEU A 53 2.073 5.495 -7.203 1.00 0.00 C ATOM 0 H LEU A 53 5.097 5.411 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 53 4.199 6.897 -6.161 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.521 5.962 -3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.993 7.111 -5.033 1.00 0.00 H new ATOM 0 HG LEU A 53 2.803 4.251 -5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.391 3.857 -5.898 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.796 4.351 -4.237 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.065 5.522 -5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.704 4.660 -7.798 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.408 6.350 -7.326 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.075 5.763 -7.537 1.00 0.00 H new ATOM 848 N GLY A 54 3.735 8.972 -4.570 1.00 0.00 N ATOM 849 CA GLY A 54 3.977 10.176 -3.863 1.00 0.00 C ATOM 850 C GLY A 54 2.965 10.359 -2.766 1.00 0.00 C ATOM 851 O GLY A 54 1.917 9.730 -2.792 1.00 0.00 O ATOM 0 H GLY A 54 3.009 9.031 -5.285 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.981 10.160 -3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.934 11.022 -4.549 1.00 0.00 H new ATOM 855 N PRO A 55 3.222 11.267 -1.819 1.00 0.00 N ATOM 856 CA PRO A 55 2.334 11.523 -0.662 1.00 0.00 C ATOM 857 C PRO A 55 0.988 12.143 -1.067 1.00 0.00 C ATOM 858 O PRO A 55 0.118 12.423 -0.215 1.00 0.00 O ATOM 859 CB PRO A 55 3.142 12.495 0.205 1.00 0.00 C ATOM 860 CG PRO A 55 4.086 13.153 -0.743 1.00 0.00 C ATOM 861 CD PRO A 55 4.424 12.117 -1.777 1.00 0.00 C ATOM 0 HA PRO A 55 2.066 10.599 -0.150 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.494 13.225 0.690 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.677 11.969 0.996 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.629 14.029 -1.203 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.983 13.495 -0.226 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.629 12.570 -2.747 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.310 11.546 -1.498 1.00 0.00 H new ATOM 869 N LYS A 56 0.868 12.452 -2.333 1.00 0.00 N ATOM 870 CA LYS A 56 -0.358 13.012 -2.866 1.00 0.00 C ATOM 871 C LYS A 56 -1.207 11.903 -3.509 1.00 0.00 C ATOM 872 O LYS A 56 -2.398 12.058 -3.707 1.00 0.00 O ATOM 873 CB LYS A 56 -0.053 14.085 -3.924 1.00 0.00 C ATOM 874 CG LYS A 56 0.385 13.514 -5.276 1.00 0.00 C ATOM 875 CD LYS A 56 0.655 14.588 -6.309 1.00 0.00 C ATOM 876 CE LYS A 56 0.730 13.991 -7.719 1.00 0.00 C ATOM 877 NZ LYS A 56 1.732 12.899 -7.839 1.00 0.00 N ATOM 0 H LYS A 56 1.609 12.326 -3.023 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.907 13.469 -2.042 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.941 14.700 -4.070 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.731 14.742 -3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.285 12.915 -5.138 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.389 12.844 -5.650 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.133 15.340 -6.271 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.591 15.095 -6.075 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.252 13.607 -7.997 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.976 14.781 -8.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.748 12.548 -8.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.673 13.262 -7.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.477 12.122 -7.197 1.00 0.00 H new ATOM 891 N ASP A 57 -0.554 10.802 -3.832 1.00 0.00 N ATOM 892 CA ASP A 57 -1.182 9.701 -4.573 1.00 0.00 C ATOM 893 C ASP A 57 -1.657 8.634 -3.631 1.00 0.00 C ATOM 894 O ASP A 57 -2.200 7.597 -4.046 1.00 0.00 O ATOM 895 CB ASP A 57 -0.193 9.093 -5.592 1.00 0.00 C ATOM 896 CG ASP A 57 0.228 10.065 -6.675 1.00 0.00 C ATOM 897 OD1 ASP A 57 -0.547 10.273 -7.649 1.00 0.00 O ATOM 898 OD2 ASP A 57 1.339 10.666 -6.565 1.00 0.00 O ATOM 0 H ASP A 57 0.424 10.637 -3.593 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.039 10.106 -5.112 1.00 0.00 H new ATOM 0 HB2 ASP A 57 0.694 8.744 -5.063 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.652 8.220 -6.056 1.00 0.00 H new ATOM 903 N ILE A 58 -1.439 8.877 -2.374 1.00 0.00 N ATOM 904 CA ILE A 58 -1.816 7.980 -1.341 1.00 0.00 C ATOM 905 C ILE A 58 -2.722 8.667 -0.338 1.00 0.00 C ATOM 906 O ILE A 58 -2.579 9.870 -0.039 1.00 0.00 O ATOM 907 CB ILE A 58 -0.588 7.393 -0.635 1.00 0.00 C ATOM 908 CG1 ILE A 58 0.321 8.508 -0.139 1.00 0.00 C ATOM 909 CG2 ILE A 58 0.158 6.452 -1.561 1.00 0.00 C ATOM 910 CD1 ILE A 58 1.572 8.022 0.510 1.00 0.00 C ATOM 0 H ILE A 58 -0.983 9.725 -2.038 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.365 7.159 -1.802 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.922 6.819 0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.585 9.150 -0.980 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.230 9.124 0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.027 6.045 -1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.501 5.637 -1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.486 6.997 -2.446 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.167 8.875 0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.319 7.405 1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.146 7.431 -0.204 1.00 0.00 H new ATOM 922 N PHE A 59 -3.639 7.912 0.163 1.00 0.00 N ATOM 923 CA PHE A 59 -4.634 8.384 1.098 1.00 0.00 C ATOM 924 C PHE A 59 -4.666 7.430 2.266 1.00 0.00 C ATOM 925 O PHE A 59 -4.432 6.270 2.078 1.00 0.00 O ATOM 926 CB PHE A 59 -6.030 8.425 0.439 1.00 0.00 C ATOM 927 CG PHE A 59 -6.191 9.415 -0.695 1.00 0.00 C ATOM 928 CD1 PHE A 59 -5.651 9.170 -1.945 1.00 0.00 C ATOM 929 CD2 PHE A 59 -6.895 10.588 -0.501 1.00 0.00 C ATOM 930 CE1 PHE A 59 -5.805 10.074 -2.973 1.00 0.00 C ATOM 931 CE2 PHE A 59 -7.054 11.500 -1.528 1.00 0.00 C ATOM 932 CZ PHE A 59 -6.505 11.241 -2.765 1.00 0.00 C ATOM 0 H PHE A 59 -3.730 6.922 -0.065 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.378 9.393 1.422 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.264 7.429 0.063 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.768 8.657 1.207 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.101 8.257 -2.117 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.327 10.795 0.467 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.376 9.867 -3.942 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.607 12.413 -1.361 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.624 11.952 -3.569 1.00 0.00 H new ATOM 942 N PRO A 60 -4.940 7.900 3.477 1.00 0.00 N ATOM 943 CA PRO A 60 -4.988 7.036 4.668 1.00 0.00 C ATOM 944 C PRO A 60 -6.137 6.046 4.623 1.00 0.00 C ATOM 945 O PRO A 60 -7.285 6.408 4.332 1.00 0.00 O ATOM 946 CB PRO A 60 -5.154 8.014 5.811 1.00 0.00 C ATOM 947 CG PRO A 60 -5.744 9.231 5.201 1.00 0.00 C ATOM 948 CD PRO A 60 -5.228 9.297 3.799 1.00 0.00 C ATOM 0 HA PRO A 60 -4.096 6.415 4.757 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.804 7.607 6.586 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.196 8.235 6.282 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.833 9.181 5.212 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.460 10.122 5.761 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.966 9.722 3.119 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -4.335 9.918 3.728 1.00 0.00 H new ATOM 956 N TYR A 61 -5.814 4.811 4.918 1.00 0.00 N ATOM 957 CA TYR A 61 -6.744 3.705 4.873 1.00 0.00 C ATOM 958 C TYR A 61 -7.852 3.855 5.869 1.00 0.00 C ATOM 959 O TYR A 61 -8.975 3.551 5.572 1.00 0.00 O ATOM 960 CB TYR A 61 -5.999 2.387 5.078 1.00 0.00 C ATOM 961 CG TYR A 61 -6.861 1.170 5.326 1.00 0.00 C ATOM 962 CD1 TYR A 61 -7.624 0.611 4.320 1.00 0.00 C ATOM 963 CD2 TYR A 61 -6.886 0.575 6.577 1.00 0.00 C ATOM 964 CE1 TYR A 61 -8.395 -0.505 4.548 1.00 0.00 C ATOM 965 CE2 TYR A 61 -7.648 -0.549 6.816 1.00 0.00 C ATOM 966 CZ TYR A 61 -8.398 -1.084 5.794 1.00 0.00 C ATOM 967 OH TYR A 61 -9.156 -2.198 6.014 1.00 0.00 O ATOM 0 H TYR A 61 -4.874 4.538 5.204 1.00 0.00 H new ATOM 0 HA TYR A 61 -7.208 3.702 3.887 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.385 2.199 4.197 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.319 2.504 5.922 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.615 1.058 3.337 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.299 0.999 7.378 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.994 -0.923 3.753 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.656 -1.005 7.795 1.00 0.00 H new ATOM 0 HH TYR A 61 -9.499 -2.184 6.932 1.00 0.00 H new ATOM 977 N SER A 62 -7.535 4.360 7.015 1.00 0.00 N ATOM 978 CA SER A 62 -8.501 4.493 8.077 1.00 0.00 C ATOM 979 C SER A 62 -9.666 5.442 7.705 1.00 0.00 C ATOM 980 O SER A 62 -10.835 5.047 7.728 1.00 0.00 O ATOM 981 CB SER A 62 -7.762 4.925 9.333 1.00 0.00 C ATOM 982 OG SER A 62 -6.504 5.519 8.978 1.00 0.00 O ATOM 0 H SER A 62 -6.601 4.695 7.251 1.00 0.00 H new ATOM 0 HA SER A 62 -8.983 3.532 8.257 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.366 5.638 9.894 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.598 4.066 9.983 1.00 0.00 H new ATOM 0 HG SER A 62 -6.661 6.314 8.427 1.00 0.00 H new ATOM 988 N GLU A 63 -9.328 6.643 7.304 1.00 0.00 N ATOM 989 CA GLU A 63 -10.291 7.669 6.952 1.00 0.00 C ATOM 990 C GLU A 63 -10.983 7.347 5.634 1.00 0.00 C ATOM 991 O GLU A 63 -12.107 7.771 5.374 1.00 0.00 O ATOM 992 CB GLU A 63 -9.608 9.054 6.828 1.00 0.00 C ATOM 993 CG GLU A 63 -8.891 9.570 8.082 1.00 0.00 C ATOM 994 CD GLU A 63 -7.459 9.067 8.253 1.00 0.00 C ATOM 995 OE1 GLU A 63 -7.239 7.857 8.287 1.00 0.00 O ATOM 996 OE2 GLU A 63 -6.518 9.885 8.329 1.00 0.00 O ATOM 0 H GLU A 63 -8.358 6.945 7.210 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.031 7.697 7.752 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.884 9.008 6.014 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.364 9.784 6.541 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.878 10.660 8.053 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.470 9.281 8.959 1.00 0.00 H new ATOM 1003 N ASN A 64 -10.315 6.603 4.805 1.00 0.00 N ATOM 1004 CA ASN A 64 -10.837 6.316 3.482 1.00 0.00 C ATOM 1005 C ASN A 64 -11.341 4.880 3.340 1.00 0.00 C ATOM 1006 O ASN A 64 -11.683 4.456 2.235 1.00 0.00 O ATOM 1007 CB ASN A 64 -9.795 6.639 2.389 1.00 0.00 C ATOM 1008 CG ASN A 64 -9.436 8.130 2.288 1.00 0.00 C ATOM 1009 OD1 ASN A 64 -10.022 8.891 1.494 1.00 0.00 O ATOM 1010 ND2 ASN A 64 -8.490 8.559 3.076 1.00 0.00 N ATOM 0 H ASN A 64 -9.410 6.180 5.010 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.700 6.968 3.346 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.887 6.070 2.588 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.178 6.302 1.426 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.212 9.540 3.052 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.028 7.913 3.716 1.00 0.00 H new ATOM 1017 N LYS A 65 -11.441 4.150 4.447 1.00 0.00 N ATOM 1018 CA LYS A 65 -11.880 2.734 4.412 1.00 0.00 C ATOM 1019 C LYS A 65 -13.322 2.599 3.953 1.00 0.00 C ATOM 1020 O LYS A 65 -13.696 1.631 3.311 1.00 0.00 O ATOM 1021 CB LYS A 65 -11.666 2.030 5.767 1.00 0.00 C ATOM 1022 CG LYS A 65 -12.143 0.579 5.811 1.00 0.00 C ATOM 1023 CD LYS A 65 -11.858 -0.076 7.157 1.00 0.00 C ATOM 1024 CE LYS A 65 -12.345 -1.523 7.185 1.00 0.00 C ATOM 1025 NZ LYS A 65 -12.019 -2.197 8.468 1.00 0.00 N ATOM 0 H LYS A 65 -11.228 4.501 5.381 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.250 2.233 3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.604 2.057 6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.187 2.594 6.541 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.214 0.543 5.610 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.651 0.012 5.021 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.787 -0.047 7.358 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.347 0.490 7.950 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.423 -1.545 7.028 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.891 -2.074 6.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.196 -3.218 8.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.017 -2.038 8.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.615 -1.807 9.226 1.00 0.00 H new ATOM 1039 N GLU A 66 -14.121 3.562 4.246 1.00 0.00 N ATOM 1040 CA GLU A 66 -15.488 3.504 3.804 1.00 0.00 C ATOM 1041 C GLU A 66 -15.614 3.812 2.361 1.00 0.00 C ATOM 1042 O GLU A 66 -16.474 3.277 1.674 1.00 0.00 O ATOM 1043 CB GLU A 66 -16.371 4.379 4.632 1.00 0.00 C ATOM 1044 CG GLU A 66 -16.453 3.863 6.019 1.00 0.00 C ATOM 1045 CD GLU A 66 -16.778 2.371 5.998 1.00 0.00 C ATOM 1046 OE1 GLU A 66 -17.865 1.997 5.510 1.00 0.00 O ATOM 1047 OE2 GLU A 66 -15.888 1.555 6.307 1.00 0.00 O ATOM 0 H GLU A 66 -13.868 4.392 4.781 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.826 2.477 3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.982 5.397 4.638 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.368 4.421 4.193 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.508 4.031 6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -17.220 4.404 6.573 1.00 0.00 H new ATOM 1054 N LYS A 67 -14.707 4.599 1.916 1.00 0.00 N ATOM 1055 CA LYS A 67 -14.681 5.078 0.567 1.00 0.00 C ATOM 1056 C LYS A 67 -14.153 4.021 -0.374 1.00 0.00 C ATOM 1057 O LYS A 67 -14.826 3.605 -1.297 1.00 0.00 O ATOM 1058 CB LYS A 67 -13.751 6.271 0.474 1.00 0.00 C ATOM 1059 CG LYS A 67 -13.949 7.298 1.556 1.00 0.00 C ATOM 1060 CD LYS A 67 -13.006 8.479 1.391 1.00 0.00 C ATOM 1061 CE LYS A 67 -13.063 9.114 0.007 1.00 0.00 C ATOM 1062 NZ LYS A 67 -11.991 10.118 -0.155 1.00 0.00 N ATOM 0 H LYS A 67 -13.936 4.943 2.488 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.701 5.345 0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.721 5.917 0.510 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.890 6.750 -0.495 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.980 7.651 1.538 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.787 6.836 2.530 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.248 9.234 2.139 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.986 8.150 1.589 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.963 8.342 -0.756 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.034 9.586 -0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.603 10.059 -1.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.380 11.069 0.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.235 9.933 0.535 1.00 0.00 H new ATOM 1076 N TYR A 68 -12.937 3.590 -0.120 1.00 0.00 N ATOM 1077 CA TYR A 68 -12.253 2.726 -1.048 1.00 0.00 C ATOM 1078 C TYR A 68 -12.114 1.331 -0.499 1.00 0.00 C ATOM 1079 O TYR A 68 -11.744 0.412 -1.208 1.00 0.00 O ATOM 1080 CB TYR A 68 -10.878 3.294 -1.355 1.00 0.00 C ATOM 1081 CG TYR A 68 -10.872 4.771 -1.685 1.00 0.00 C ATOM 1082 CD1 TYR A 68 -11.628 5.279 -2.723 1.00 0.00 C ATOM 1083 CD2 TYR A 68 -10.102 5.644 -0.952 1.00 0.00 C ATOM 1084 CE1 TYR A 68 -11.607 6.633 -3.022 1.00 0.00 C ATOM 1085 CE2 TYR A 68 -10.064 6.986 -1.239 1.00 0.00 C ATOM 1086 CZ TYR A 68 -10.810 7.479 -2.273 1.00 0.00 C ATOM 1087 OH TYR A 68 -10.768 8.827 -2.555 1.00 0.00 O ATOM 0 H TYR A 68 -12.406 3.824 0.719 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.845 2.673 -1.962 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.228 3.123 -0.497 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.450 2.745 -2.194 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -12.244 4.613 -3.310 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.513 5.264 -0.130 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -12.207 7.023 -3.831 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -9.447 7.649 -0.650 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.628 9.110 -2.929 1.00 0.00 H new ATOM 1097 N GLY A 69 -12.441 1.171 0.760 1.00 0.00 N ATOM 1098 CA GLY A 69 -12.325 -0.114 1.410 1.00 0.00 C ATOM 1099 C GLY A 69 -13.563 -0.953 1.192 1.00 0.00 C ATOM 1100 O GLY A 69 -14.141 -1.491 2.142 1.00 0.00 O ATOM 0 H GLY A 69 -12.792 1.918 1.359 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.453 -0.642 1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.164 0.030 2.478 1.00 0.00 H new ATOM 1104 N LYS A 70 -14.000 -1.018 -0.038 1.00 0.00 N ATOM 1105 CA LYS A 70 -15.163 -1.785 -0.410 1.00 0.00 C ATOM 1106 C LYS A 70 -14.808 -2.714 -1.570 1.00 0.00 C ATOM 1107 O LYS A 70 -13.945 -2.373 -2.378 1.00 0.00 O ATOM 1108 CB LYS A 70 -16.354 -0.857 -0.754 1.00 0.00 C ATOM 1109 CG LYS A 70 -16.889 -0.040 0.437 1.00 0.00 C ATOM 1110 CD LYS A 70 -17.418 -0.951 1.554 1.00 0.00 C ATOM 1111 CE LYS A 70 -17.975 -0.164 2.745 1.00 0.00 C ATOM 1112 NZ LYS A 70 -16.960 0.688 3.392 1.00 0.00 N ATOM 0 H LYS A 70 -13.555 -0.536 -0.819 1.00 0.00 H new ATOM 0 HA LYS A 70 -15.478 -2.396 0.435 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -16.047 -0.169 -1.542 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -17.166 -1.462 -1.158 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -16.095 0.595 0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -17.686 0.621 0.097 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -18.200 -1.595 1.152 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -16.614 -1.602 1.898 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.804 0.458 2.408 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -18.378 -0.862 3.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.192 0.800 4.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.024 0.244 3.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.947 1.622 2.934 1.00 0.00 H new ATOM 1126 N PRO A 71 -15.449 -3.915 -1.638 1.00 0.00 N ATOM 1127 CA PRO A 71 -15.153 -4.940 -2.648 1.00 0.00 C ATOM 1128 C PRO A 71 -15.083 -4.428 -4.069 1.00 0.00 C ATOM 1129 O PRO A 71 -16.039 -3.829 -4.607 1.00 0.00 O ATOM 1130 CB PRO A 71 -16.301 -5.877 -2.566 1.00 0.00 C ATOM 1131 CG PRO A 71 -16.792 -5.776 -1.165 1.00 0.00 C ATOM 1132 CD PRO A 71 -16.508 -4.370 -0.717 1.00 0.00 C ATOM 0 HA PRO A 71 -14.172 -5.368 -2.440 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -17.082 -5.606 -3.277 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -15.995 -6.896 -2.803 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -17.859 -5.993 -1.111 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -16.287 -6.498 -0.523 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -17.396 -3.741 -0.786 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -16.176 -4.340 0.321 1.00 0.00 H new ATOM 1140 N ASN A 72 -14.028 -4.765 -4.708 1.00 0.00 N ATOM 1141 CA ASN A 72 -13.776 -4.284 -6.011 1.00 0.00 C ATOM 1142 C ASN A 72 -13.861 -5.414 -6.987 1.00 0.00 C ATOM 1143 O ASN A 72 -14.429 -6.468 -6.673 1.00 0.00 O ATOM 1144 CB ASN A 72 -12.416 -3.649 -6.058 1.00 0.00 C ATOM 1145 CG ASN A 72 -12.382 -2.536 -7.035 1.00 0.00 C ATOM 1146 OD1 ASN A 72 -11.985 -2.706 -8.194 1.00 0.00 O ATOM 1147 ND2 ASN A 72 -12.907 -1.449 -6.610 1.00 0.00 N ATOM 0 H ASN A 72 -13.309 -5.387 -4.339 1.00 0.00 H new ATOM 0 HA ASN A 72 -14.522 -3.535 -6.277 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.150 -3.277 -5.069 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.671 -4.397 -6.328 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.019 -0.656 -7.241 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.214 -1.376 -5.640 1.00 0.00 H new ATOM 1154 N LYS A 73 -13.371 -5.191 -8.174 1.00 0.00 N ATOM 1155 CA LYS A 73 -13.356 -6.189 -9.208 1.00 0.00 C ATOM 1156 C LYS A 73 -11.916 -6.413 -9.636 1.00 0.00 C ATOM 1157 O LYS A 73 -11.632 -7.017 -10.656 1.00 0.00 O ATOM 1158 CB LYS A 73 -14.245 -5.731 -10.373 1.00 0.00 C ATOM 1159 CG LYS A 73 -15.689 -5.428 -9.940 1.00 0.00 C ATOM 1160 CD LYS A 73 -16.383 -6.667 -9.366 1.00 0.00 C ATOM 1161 CE LYS A 73 -17.647 -6.302 -8.593 1.00 0.00 C ATOM 1162 NZ LYS A 73 -17.334 -5.486 -7.374 1.00 0.00 N ATOM 0 H LYS A 73 -12.965 -4.299 -8.455 1.00 0.00 H new ATOM 0 HA LYS A 73 -13.758 -7.136 -8.848 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.812 -4.839 -10.825 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -14.256 -6.504 -11.141 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.685 -4.635 -9.193 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -16.255 -5.058 -10.795 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.637 -7.349 -10.177 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.695 -7.197 -8.708 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -18.322 -5.744 -9.242 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -18.169 -7.212 -8.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.115 -5.567 -6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.456 -5.835 -6.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.214 -4.489 -7.645 1.00 0.00 H new ATOM 1176 N ARG A 74 -11.011 -5.886 -8.835 1.00 0.00 N ATOM 1177 CA ARG A 74 -9.606 -6.104 -9.034 1.00 0.00 C ATOM 1178 C ARG A 74 -9.146 -7.287 -8.194 1.00 0.00 C ATOM 1179 O ARG A 74 -9.425 -7.349 -6.994 1.00 0.00 O ATOM 1180 CB ARG A 74 -8.800 -4.862 -8.656 1.00 0.00 C ATOM 1181 CG ARG A 74 -8.945 -3.670 -9.591 1.00 0.00 C ATOM 1182 CD ARG A 74 -8.427 -3.988 -10.991 1.00 0.00 C ATOM 1183 NE ARG A 74 -8.301 -2.780 -11.841 1.00 0.00 N ATOM 1184 CZ ARG A 74 -8.800 -2.637 -13.086 1.00 0.00 C ATOM 1185 NH1 ARG A 74 -9.633 -3.560 -13.594 1.00 0.00 N ATOM 1186 NH2 ARG A 74 -8.479 -1.558 -13.813 1.00 0.00 N ATOM 0 H ARG A 74 -11.236 -5.298 -8.033 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.438 -6.315 -10.090 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.095 -4.552 -7.654 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.746 -5.136 -8.608 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.993 -3.377 -9.648 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.398 -2.819 -9.185 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.455 -4.475 -10.913 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.101 -4.697 -11.471 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.792 -1.987 -11.450 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.892 -4.375 -13.038 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.007 -3.446 -14.536 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.859 -0.847 -13.425 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.855 -1.447 -14.755 1.00 0.00 H new ATOM 1200 N LYS A 75 -8.478 -8.220 -8.831 1.00 0.00 N ATOM 1201 CA LYS A 75 -7.923 -9.377 -8.158 1.00 0.00 C ATOM 1202 C LYS A 75 -6.774 -8.933 -7.259 1.00 0.00 C ATOM 1203 O LYS A 75 -5.826 -8.308 -7.732 1.00 0.00 O ATOM 1204 CB LYS A 75 -7.419 -10.379 -9.202 1.00 0.00 C ATOM 1205 CG LYS A 75 -6.823 -11.655 -8.624 1.00 0.00 C ATOM 1206 CD LYS A 75 -7.847 -12.480 -7.854 1.00 0.00 C ATOM 1207 CE LYS A 75 -7.210 -13.727 -7.249 1.00 0.00 C ATOM 1208 NZ LYS A 75 -6.144 -13.385 -6.275 1.00 0.00 N ATOM 0 H LYS A 75 -8.302 -8.200 -9.835 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.690 -9.855 -7.548 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.247 -10.646 -9.859 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.666 -9.890 -9.821 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.409 -12.258 -9.432 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.996 -11.399 -7.962 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.286 -11.873 -7.063 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.659 -12.770 -8.521 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.977 -14.323 -6.754 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.791 -14.343 -8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.008 -14.179 -5.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.256 -13.200 -6.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.421 -12.536 -5.741 1.00 0.00 H new ATOM 1222 N GLY A 76 -6.874 -9.228 -5.983 1.00 0.00 N ATOM 1223 CA GLY A 76 -5.853 -8.841 -5.047 1.00 0.00 C ATOM 1224 C GLY A 76 -6.321 -7.712 -4.169 1.00 0.00 C ATOM 1225 O GLY A 76 -5.810 -7.503 -3.085 1.00 0.00 O ATOM 0 H GLY A 76 -7.657 -9.737 -5.572 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.579 -9.696 -4.429 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.956 -8.538 -5.587 1.00 0.00 H new ATOM 1229 N PHE A 77 -7.320 -7.007 -4.635 1.00 0.00 N ATOM 1230 CA PHE A 77 -7.838 -5.854 -3.935 1.00 0.00 C ATOM 1231 C PHE A 77 -8.659 -6.304 -2.751 1.00 0.00 C ATOM 1232 O PHE A 77 -8.519 -5.799 -1.643 1.00 0.00 O ATOM 1233 CB PHE A 77 -8.718 -5.048 -4.891 1.00 0.00 C ATOM 1234 CG PHE A 77 -9.208 -3.728 -4.354 1.00 0.00 C ATOM 1235 CD1 PHE A 77 -10.304 -3.658 -3.502 1.00 0.00 C ATOM 1236 CD2 PHE A 77 -8.582 -2.557 -4.721 1.00 0.00 C ATOM 1237 CE1 PHE A 77 -10.754 -2.446 -3.031 1.00 0.00 C ATOM 1238 CE2 PHE A 77 -9.031 -1.342 -4.249 1.00 0.00 C ATOM 1239 CZ PHE A 77 -10.117 -1.289 -3.403 1.00 0.00 C ATOM 0 H PHE A 77 -7.799 -7.214 -5.511 1.00 0.00 H new ATOM 0 HA PHE A 77 -7.012 -5.236 -3.582 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -8.157 -4.864 -5.807 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -9.582 -5.655 -5.163 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -10.808 -4.566 -3.206 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.731 -2.591 -5.385 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -11.607 -2.405 -2.370 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -8.531 -0.431 -4.543 1.00 0.00 H new ATOM 0 HZ PHE A 77 -10.467 -0.337 -3.033 1.00 0.00 H new ATOM 1249 N ASN A 78 -9.470 -7.290 -2.991 1.00 0.00 N ATOM 1250 CA ASN A 78 -10.420 -7.768 -2.011 1.00 0.00 C ATOM 1251 C ASN A 78 -9.732 -8.593 -0.968 1.00 0.00 C ATOM 1252 O ASN A 78 -10.076 -8.549 0.213 1.00 0.00 O ATOM 1253 CB ASN A 78 -11.536 -8.530 -2.715 1.00 0.00 C ATOM 1254 CG ASN A 78 -12.374 -7.596 -3.571 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -12.590 -6.457 -3.218 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -12.768 -8.034 -4.734 1.00 0.00 N ATOM 0 H ASN A 78 -9.497 -7.795 -3.877 1.00 0.00 H new ATOM 0 HA ASN A 78 -10.871 -6.923 -1.491 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.108 -9.315 -3.338 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.170 -9.019 -1.976 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -13.270 -7.414 -5.369 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.574 -8.997 -5.009 1.00 0.00 H new ATOM 1263 N GLU A 79 -8.737 -9.314 -1.400 1.00 0.00 N ATOM 1264 CA GLU A 79 -7.905 -10.077 -0.521 1.00 0.00 C ATOM 1265 C GLU A 79 -7.059 -9.107 0.294 1.00 0.00 C ATOM 1266 O GLU A 79 -6.812 -9.312 1.487 1.00 0.00 O ATOM 1267 CB GLU A 79 -7.005 -11.044 -1.313 1.00 0.00 C ATOM 1268 CG GLU A 79 -7.746 -11.925 -2.330 1.00 0.00 C ATOM 1269 CD GLU A 79 -7.910 -11.280 -3.707 1.00 0.00 C ATOM 1270 OE1 GLU A 79 -8.603 -10.250 -3.853 1.00 0.00 O ATOM 1271 OE2 GLU A 79 -7.336 -11.805 -4.667 1.00 0.00 O ATOM 0 H GLU A 79 -8.480 -9.388 -2.384 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.527 -10.681 0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.247 -10.464 -1.840 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.480 -11.689 -0.609 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.206 -12.865 -2.442 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.732 -12.169 -1.934 1.00 0.00 H new ATOM 1278 N GLY A 80 -6.669 -8.015 -0.356 1.00 0.00 N ATOM 1279 CA GLY A 80 -5.908 -6.980 0.283 1.00 0.00 C ATOM 1280 C GLY A 80 -6.693 -6.288 1.356 1.00 0.00 C ATOM 1281 O GLY A 80 -6.133 -5.913 2.374 1.00 0.00 O ATOM 0 H GLY A 80 -6.878 -7.835 -1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.004 -7.409 0.715 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.591 -6.250 -0.462 1.00 0.00 H new ATOM 1285 N LEU A 81 -8.001 -6.129 1.125 1.00 0.00 N ATOM 1286 CA LEU A 81 -8.919 -5.556 2.119 1.00 0.00 C ATOM 1287 C LEU A 81 -8.845 -6.350 3.406 1.00 0.00 C ATOM 1288 O LEU A 81 -8.875 -5.791 4.489 1.00 0.00 O ATOM 1289 CB LEU A 81 -10.376 -5.559 1.611 1.00 0.00 C ATOM 1290 CG LEU A 81 -10.701 -4.682 0.398 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -12.146 -4.900 -0.034 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -10.478 -3.218 0.730 1.00 0.00 C ATOM 0 H LEU A 81 -8.452 -6.392 0.249 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.614 -4.524 2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.645 -6.586 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.020 -5.248 2.434 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.038 -4.962 -0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.366 -4.272 -0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.292 -5.947 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.814 -4.638 0.786 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.713 -2.607 -0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.124 -2.930 1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.436 -3.063 1.011 1.00 0.00 H new ATOM 1304 N TRP A 82 -8.719 -7.654 3.271 1.00 0.00 N ATOM 1305 CA TRP A 82 -8.611 -8.507 4.409 1.00 0.00 C ATOM 1306 C TRP A 82 -7.225 -8.380 5.041 1.00 0.00 C ATOM 1307 O TRP A 82 -7.106 -8.173 6.254 1.00 0.00 O ATOM 1308 CB TRP A 82 -8.918 -9.963 4.037 1.00 0.00 C ATOM 1309 CG TRP A 82 -8.698 -10.889 5.178 1.00 0.00 C ATOM 1310 CD1 TRP A 82 -9.512 -11.074 6.242 1.00 0.00 C ATOM 1311 CD2 TRP A 82 -7.571 -11.739 5.376 1.00 0.00 C ATOM 1312 NE1 TRP A 82 -8.948 -11.971 7.108 1.00 0.00 N ATOM 1313 CE2 TRP A 82 -7.758 -12.402 6.594 1.00 0.00 C ATOM 1314 CE3 TRP A 82 -6.421 -11.990 4.635 1.00 0.00 C ATOM 1315 CZ2 TRP A 82 -6.834 -13.310 7.097 1.00 0.00 C ATOM 1316 CZ3 TRP A 82 -5.499 -12.892 5.128 1.00 0.00 C ATOM 1317 CH2 TRP A 82 -5.711 -13.543 6.351 1.00 0.00 C ATOM 0 H TRP A 82 -8.690 -8.137 2.373 1.00 0.00 H new ATOM 0 HA TRP A 82 -9.351 -8.192 5.145 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -9.952 -10.041 3.702 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -8.288 -10.264 3.200 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -10.465 -10.587 6.387 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -9.352 -12.270 7.996 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -6.253 -11.489 3.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -6.996 -13.812 8.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -4.602 -13.099 4.563 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -4.972 -14.243 6.712 1.00 0.00 H new ATOM 1328 N GLU A 83 -6.185 -8.474 4.211 1.00 0.00 N ATOM 1329 CA GLU A 83 -4.816 -8.407 4.696 1.00 0.00 C ATOM 1330 C GLU A 83 -4.525 -7.142 5.458 1.00 0.00 C ATOM 1331 O GLU A 83 -4.006 -7.205 6.542 1.00 0.00 O ATOM 1332 CB GLU A 83 -3.769 -8.598 3.602 1.00 0.00 C ATOM 1333 CG GLU A 83 -3.604 -10.017 3.116 1.00 0.00 C ATOM 1334 CD GLU A 83 -2.322 -10.196 2.318 1.00 0.00 C ATOM 1335 OE1 GLU A 83 -2.176 -9.582 1.244 1.00 0.00 O ATOM 1336 OE2 GLU A 83 -1.432 -10.957 2.758 1.00 0.00 O ATOM 0 H GLU A 83 -6.270 -8.597 3.202 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.737 -9.251 5.382 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -4.034 -7.968 2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.808 -8.244 3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.598 -10.695 3.969 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.458 -10.291 2.497 1.00 0.00 H new ATOM 1343 N ILE A 84 -4.916 -6.013 4.933 1.00 0.00 N ATOM 1344 CA ILE A 84 -4.578 -4.748 5.562 1.00 0.00 C ATOM 1345 C ILE A 84 -5.341 -4.538 6.886 1.00 0.00 C ATOM 1346 O ILE A 84 -4.858 -3.852 7.787 1.00 0.00 O ATOM 1347 CB ILE A 84 -4.803 -3.550 4.592 1.00 0.00 C ATOM 1348 CG1 ILE A 84 -4.247 -2.249 5.191 1.00 0.00 C ATOM 1349 CG2 ILE A 84 -6.282 -3.400 4.249 1.00 0.00 C ATOM 1350 CD1 ILE A 84 -4.279 -1.064 4.252 1.00 0.00 C ATOM 0 H ILE A 84 -5.466 -5.934 4.077 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.516 -4.790 5.802 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.261 -3.756 3.669 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.818 -2.003 6.086 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.218 -2.419 5.506 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.415 -2.557 3.571 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.639 -4.312 3.769 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.851 -3.224 5.162 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.868 -0.189 4.756 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.683 -1.285 3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.308 -0.862 3.956 1.00 0.00 H new ATOM 1362 N ASP A 85 -6.481 -5.188 7.018 1.00 0.00 N ATOM 1363 CA ASP A 85 -7.329 -4.979 8.177 1.00 0.00 C ATOM 1364 C ASP A 85 -7.012 -6.020 9.258 1.00 0.00 C ATOM 1365 O ASP A 85 -7.324 -5.833 10.423 1.00 0.00 O ATOM 1366 CB ASP A 85 -8.799 -5.072 7.739 1.00 0.00 C ATOM 1367 CG ASP A 85 -9.744 -4.164 8.517 1.00 0.00 C ATOM 1368 OD1 ASP A 85 -9.516 -2.913 8.532 1.00 0.00 O ATOM 1369 OD2 ASP A 85 -10.808 -4.617 8.985 1.00 0.00 O ATOM 0 H ASP A 85 -6.841 -5.862 6.342 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.144 -3.992 8.600 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.867 -4.825 6.680 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.134 -6.104 7.848 1.00 0.00 H new ATOM 1374 N ASN A 86 -6.375 -7.133 8.855 1.00 0.00 N ATOM 1375 CA ASN A 86 -6.031 -8.215 9.809 1.00 0.00 C ATOM 1376 C ASN A 86 -4.535 -8.324 10.023 1.00 0.00 C ATOM 1377 O ASN A 86 -4.043 -8.281 11.155 1.00 0.00 O ATOM 1378 CB ASN A 86 -6.566 -9.610 9.382 1.00 0.00 C ATOM 1379 CG ASN A 86 -8.082 -9.752 9.381 1.00 0.00 C ATOM 1380 OD1 ASN A 86 -8.618 -10.798 9.748 1.00 0.00 O ATOM 1381 ND2 ASN A 86 -8.764 -8.766 8.893 1.00 0.00 N ATOM 0 H ASN A 86 -6.089 -7.311 7.892 1.00 0.00 H new ATOM 0 HA ASN A 86 -6.523 -7.928 10.738 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -6.196 -9.832 8.381 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -6.147 -10.362 10.051 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -9.777 -8.842 8.803 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -8.288 -7.913 8.598 1.00 0.00 H new ATOM 1388 N ASN A 87 -3.796 -8.467 8.949 1.00 0.00 N ATOM 1389 CA ASN A 87 -2.344 -8.631 9.055 1.00 0.00 C ATOM 1390 C ASN A 87 -1.609 -7.594 8.188 1.00 0.00 C ATOM 1391 O ASN A 87 -1.035 -7.932 7.155 1.00 0.00 O ATOM 1392 CB ASN A 87 -1.915 -10.044 8.629 1.00 0.00 C ATOM 1393 CG ASN A 87 -0.463 -10.353 8.965 1.00 0.00 C ATOM 1394 OD1 ASN A 87 0.073 -9.876 9.978 1.00 0.00 O ATOM 1395 ND2 ASN A 87 0.186 -11.127 8.132 1.00 0.00 N ATOM 0 H ASN A 87 -4.160 -8.475 7.996 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.076 -8.478 10.100 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.559 -10.776 9.118 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.065 -10.155 7.555 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.165 -11.356 8.306 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -0.287 -11.501 7.309 1.00 0.00 H new ATOM 1402 N PRO A 88 -1.609 -6.312 8.591 1.00 0.00 N ATOM 1403 CA PRO A 88 -1.012 -5.236 7.785 1.00 0.00 C ATOM 1404 C PRO A 88 0.518 -5.259 7.786 1.00 0.00 C ATOM 1405 O PRO A 88 1.164 -4.512 7.049 1.00 0.00 O ATOM 1406 CB PRO A 88 -1.518 -3.967 8.461 1.00 0.00 C ATOM 1407 CG PRO A 88 -1.774 -4.356 9.873 1.00 0.00 C ATOM 1408 CD PRO A 88 -2.222 -5.786 9.835 1.00 0.00 C ATOM 0 HA PRO A 88 -1.289 -5.327 6.735 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.780 -3.167 8.400 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.426 -3.600 7.982 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -0.873 -4.246 10.477 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.538 -3.720 10.320 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.882 -6.336 10.713 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.309 -5.865 9.811 1.00 0.00 H new ATOM 1416 N LYS A 89 1.079 -6.129 8.593 1.00 0.00 N ATOM 1417 CA LYS A 89 2.516 -6.218 8.765 1.00 0.00 C ATOM 1418 C LYS A 89 3.109 -7.302 7.864 1.00 0.00 C ATOM 1419 O LYS A 89 4.255 -7.702 8.037 1.00 0.00 O ATOM 1420 CB LYS A 89 2.854 -6.498 10.243 1.00 0.00 C ATOM 1421 CG LYS A 89 2.312 -7.823 10.774 1.00 0.00 C ATOM 1422 CD LYS A 89 2.626 -8.011 12.252 1.00 0.00 C ATOM 1423 CE LYS A 89 2.153 -9.372 12.765 1.00 0.00 C ATOM 1424 NZ LYS A 89 0.686 -9.574 12.591 1.00 0.00 N ATOM 0 H LYS A 89 0.552 -6.799 9.153 1.00 0.00 H new ATOM 0 HA LYS A 89 2.958 -5.264 8.476 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.937 -6.488 10.363 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.458 -5.687 10.854 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.233 -7.861 10.624 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.742 -8.646 10.204 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.700 -7.916 12.410 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.148 -7.219 12.829 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.689 -10.161 12.238 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.406 -9.466 13.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.327 -10.183 13.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.202 -8.654 12.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.504 -10.026 11.672 1.00 0.00 H new ATOM 1438 N VAL A 90 2.318 -7.786 6.921 1.00 0.00 N ATOM 1439 CA VAL A 90 2.796 -8.785 5.994 1.00 0.00 C ATOM 1440 C VAL A 90 3.780 -8.128 4.979 1.00 0.00 C ATOM 1441 O VAL A 90 3.773 -6.894 4.797 1.00 0.00 O ATOM 1442 CB VAL A 90 1.608 -9.519 5.280 1.00 0.00 C ATOM 1443 CG1 VAL A 90 0.880 -8.632 4.294 1.00 0.00 C ATOM 1444 CG2 VAL A 90 2.039 -10.835 4.647 1.00 0.00 C ATOM 0 H VAL A 90 1.348 -7.502 6.781 1.00 0.00 H new ATOM 0 HA VAL A 90 3.339 -9.552 6.546 1.00 0.00 H new ATOM 0 HB VAL A 90 0.891 -9.762 6.064 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.068 -9.193 3.830 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.471 -7.767 4.816 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.575 -8.297 3.524 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.182 -11.305 4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.814 -10.645 3.904 1.00 0.00 H new ATOM 0 HG23 VAL A 90 2.431 -11.498 5.418 1.00 0.00 H new ATOM 1454 N LYS A 91 4.622 -8.934 4.359 1.00 0.00 N ATOM 1455 CA LYS A 91 5.650 -8.443 3.459 1.00 0.00 C ATOM 1456 C LYS A 91 5.497 -8.978 2.056 1.00 0.00 C ATOM 1457 O LYS A 91 4.662 -9.856 1.790 1.00 0.00 O ATOM 1458 CB LYS A 91 7.046 -8.788 3.995 1.00 0.00 C ATOM 1459 CG LYS A 91 7.530 -7.893 5.119 1.00 0.00 C ATOM 1460 CD LYS A 91 7.836 -6.498 4.596 1.00 0.00 C ATOM 1461 CE LYS A 91 8.304 -5.581 5.699 1.00 0.00 C ATOM 1462 NZ LYS A 91 8.682 -4.265 5.181 1.00 0.00 N ATOM 0 H LYS A 91 4.613 -9.948 4.465 1.00 0.00 H new ATOM 0 HA LYS A 91 5.532 -7.360 3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.041 -9.820 4.346 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.760 -8.735 3.173 1.00 0.00 H new ATOM 0 HG2 LYS A 91 6.771 -7.837 5.899 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.423 -8.321 5.574 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.602 -6.559 3.823 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.944 -6.080 4.129 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.512 -5.468 6.439 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.156 -6.030 6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.140 -3.714 5.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.343 -4.381 4.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.832 -3.764 4.853 1.00 0.00 H new ATOM 1476 N PHE A 92 6.302 -8.420 1.173 1.00 0.00 N ATOM 1477 CA PHE A 92 6.366 -8.799 -0.216 1.00 0.00 C ATOM 1478 C PHE A 92 6.902 -10.202 -0.372 1.00 0.00 C ATOM 1479 O PHE A 92 7.952 -10.553 0.182 1.00 0.00 O ATOM 1480 CB PHE A 92 7.171 -7.757 -1.034 1.00 0.00 C ATOM 1481 CG PHE A 92 8.422 -7.234 -0.357 1.00 0.00 C ATOM 1482 CD1 PHE A 92 9.595 -7.964 -0.361 1.00 0.00 C ATOM 1483 CD2 PHE A 92 8.407 -6.002 0.285 1.00 0.00 C ATOM 1484 CE1 PHE A 92 10.733 -7.481 0.260 1.00 0.00 C ATOM 1485 CE2 PHE A 92 9.537 -5.511 0.907 1.00 0.00 C ATOM 1486 CZ PHE A 92 10.705 -6.251 0.896 1.00 0.00 C ATOM 0 H PHE A 92 6.947 -7.668 1.415 1.00 0.00 H new ATOM 0 HA PHE A 92 5.354 -8.806 -0.622 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.453 -8.205 -1.987 1.00 0.00 H new ATOM 0 HB3 PHE A 92 6.519 -6.913 -1.259 1.00 0.00 H new ATOM 0 HD1 PHE A 92 9.624 -8.924 -0.855 1.00 0.00 H new ATOM 0 HD2 PHE A 92 7.497 -5.420 0.298 1.00 0.00 H new ATOM 0 HE1 PHE A 92 11.643 -8.063 0.249 1.00 0.00 H new ATOM 0 HE2 PHE A 92 9.509 -4.551 1.401 1.00 0.00 H new ATOM 0 HZ PHE A 92 11.592 -5.871 1.381 1.00 0.00 H new ATOM 1496 N SER A 93 6.173 -10.999 -1.107 1.00 0.00 N ATOM 1497 CA SER A 93 6.483 -12.387 -1.274 1.00 0.00 C ATOM 1498 C SER A 93 5.604 -13.010 -2.350 1.00 0.00 C ATOM 1499 O SER A 93 4.369 -12.873 -2.313 1.00 0.00 O ATOM 1500 CB SER A 93 6.286 -13.130 0.077 1.00 0.00 C ATOM 1501 OG SER A 93 4.995 -12.846 0.657 1.00 0.00 O ATOM 0 H SER A 93 5.339 -10.696 -1.610 1.00 0.00 H new ATOM 0 HA SER A 93 7.522 -12.480 -1.589 1.00 0.00 H new ATOM 0 HB2 SER A 93 6.387 -14.204 -0.080 1.00 0.00 H new ATOM 0 HB3 SER A 93 7.071 -12.835 0.773 1.00 0.00 H new ATOM 0 HG SER A 93 4.422 -12.419 -0.013 1.00 0.00 H new TER 1507 SER A 93