USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 972 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 116 SER OG : rot 130:sc= -0.121 USER MOD Set 1.2: A 118 THR OG1 : rot 109:sc= 0.752 USER MOD Set 2.1: A 98 HIS : no HD1:sc= -0.282 K(o=-0.69,f=-3.5!) USER MOD Set 2.2: A 100 MET CE :methyl 173:sc= -0.392 (180deg=-0.102) USER MOD Set 2.3: A 112 MET CE :methyl -117:sc= -0.0184 (180deg=0) USER MOD Set 3.1: A 68 MET CE :methyl -145:sc= -0.58 (180deg=-2.14!) USER MOD Set 3.2: A 107 MET CE :methyl -119:sc= -0.317 (180deg=-0.0996) USER MOD Set 4.1: A 66 LYS NZ :NH3+ -124:sc= 0.233 (180deg=0.0489) USER MOD Set 4.2: A 70 MET CE :methyl 177:sc= -0.267 (180deg=-0.299) USER MOD Set 5.1: A 58 GLN : amide:sc= 0.022 X(o=0.041,f=-0.19) USER MOD Set 5.2: A 59 LYS NZ :NH3+ -159:sc= 0.0189 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.068 K(o=-0.068,f=-0.57) USER MOD Single : A 22 GLN : amide:sc= -1.5! K(o=-1.5!,f=-0.63) USER MOD Single : A 23 GLN : amide:sc= -0.568 K(o=-0.57,f=-6!) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0104 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 145:sc= 0.576 (180deg=-0.16) USER MOD Single : A 42 LYS NZ :NH3+ 139:sc= 1.1 (180deg=0.189) USER MOD Single : A 44 THR OG1 : rot 78:sc= 0.686 USER MOD Single : A 56 HIS : no HD1:sc= -0.0527 X(o=-0.053,f=0.0031) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.0819 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc=-0.00351 K(o=-0.0035,f=-0.79) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.992 K(o=-0.99,f=-0.32) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 138:sc= -0.714 (180deg=-2.76!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0.296 X(o=0.3,f=-0.17) USER MOD Single : A 84 MET CE :methyl -161:sc= 0 (180deg=-0.526) USER MOD Single : A 86 LYS NZ :NH3+ -173:sc= -0.32! (180deg=-0.668!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 169:sc= -1.32 (180deg=-1.56) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -23:sc= 0.615 USER MOD Single : A 113 THR OG1 : rot -120:sc= -0.339 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N GLU A 5 -9.048 0.861 3.317 1.00 0.00 N ATOM 72 CA GLU A 5 -7.597 0.652 3.527 1.00 0.00 C ATOM 73 C GLU A 5 -6.817 1.974 3.694 1.00 0.00 C ATOM 74 O GLU A 5 -6.103 2.144 4.678 1.00 0.00 O ATOM 75 CB GLU A 5 -6.967 -0.172 2.360 1.00 0.00 C ATOM 76 CG GLU A 5 -7.517 -1.603 2.161 1.00 0.00 C ATOM 77 CD GLU A 5 -8.919 -1.644 1.527 1.00 0.00 C ATOM 78 OE1 GLU A 5 -9.017 -1.502 0.292 1.00 0.00 O ATOM 79 OE2 GLU A 5 -9.928 -1.790 2.254 1.00 0.00 O ATOM 0 HA GLU A 5 -7.512 0.092 4.458 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.111 0.382 1.433 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.892 -0.238 2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.826 -2.164 1.531 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.550 -2.108 3.126 1.00 0.00 H new ATOM 86 N LYS A 6 -6.937 2.855 2.684 1.00 0.00 N ATOM 87 CA LYS A 6 -6.234 4.179 2.704 1.00 0.00 C ATOM 88 C LYS A 6 -6.582 4.980 3.987 1.00 0.00 C ATOM 89 O LYS A 6 -5.719 5.662 4.568 1.00 0.00 O ATOM 90 CB LYS A 6 -6.566 5.054 1.458 1.00 0.00 C ATOM 91 CG LYS A 6 -6.174 4.464 0.074 1.00 0.00 C ATOM 92 CD LYS A 6 -7.166 3.403 -0.464 1.00 0.00 C ATOM 93 CE LYS A 6 -6.850 2.977 -1.907 1.00 0.00 C ATOM 94 NZ LYS A 6 -7.887 2.062 -2.445 1.00 0.00 N ATOM 0 H LYS A 6 -7.501 2.691 1.850 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.168 3.950 2.688 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.638 5.250 1.454 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.066 6.016 1.573 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -6.101 5.277 -0.648 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -5.184 4.015 0.150 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.141 2.526 0.183 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.179 3.803 -0.421 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.779 3.861 -2.541 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.878 2.485 -1.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.642 1.795 -3.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.937 1.208 -1.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.810 2.541 -2.439 1.00 0.00 H new ATOM 108 N ASN A 7 -7.854 4.865 4.411 1.00 0.00 N ATOM 109 CA ASN A 7 -8.345 5.540 5.634 1.00 0.00 C ATOM 110 C ASN A 7 -7.719 4.899 6.894 1.00 0.00 C ATOM 111 O ASN A 7 -7.436 5.592 7.865 1.00 0.00 O ATOM 112 CB ASN A 7 -9.890 5.452 5.728 1.00 0.00 C ATOM 113 CG ASN A 7 -10.624 5.980 4.490 1.00 0.00 C ATOM 114 OD1 ASN A 7 -10.153 6.880 3.803 1.00 0.00 O ATOM 115 ND2 ASN A 7 -11.789 5.425 4.196 1.00 0.00 N ATOM 0 H ASN A 7 -8.562 4.312 3.928 1.00 0.00 H new ATOM 0 HA ASN A 7 -8.051 6.588 5.578 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -10.175 4.412 5.890 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -10.223 6.013 6.601 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -12.315 5.745 3.383 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -12.160 4.678 4.783 1.00 0.00 H new ATOM 122 N GLU A 8 -7.535 3.565 6.853 1.00 0.00 N ATOM 123 CA GLU A 8 -6.921 2.813 7.971 1.00 0.00 C ATOM 124 C GLU A 8 -5.419 3.133 8.113 1.00 0.00 C ATOM 125 O GLU A 8 -4.920 3.250 9.238 1.00 0.00 O ATOM 126 CB GLU A 8 -7.132 1.282 7.823 1.00 0.00 C ATOM 127 CG GLU A 8 -8.591 0.835 7.563 1.00 0.00 C ATOM 128 CD GLU A 8 -9.634 1.523 8.475 1.00 0.00 C ATOM 129 OE1 GLU A 8 -9.746 1.143 9.658 1.00 0.00 O ATOM 130 OE2 GLU A 8 -10.350 2.442 8.009 1.00 0.00 O ATOM 0 H GLU A 8 -7.802 2.984 6.059 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.428 3.137 8.880 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.509 0.924 7.004 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -6.777 0.794 8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.843 1.040 6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.659 -0.244 7.701 1.00 0.00 H new ATOM 137 N ILE A 9 -4.702 3.254 6.976 1.00 0.00 N ATOM 138 CA ILE A 9 -3.286 3.665 6.970 1.00 0.00 C ATOM 139 C ILE A 9 -3.144 5.111 7.491 1.00 0.00 C ATOM 140 O ILE A 9 -2.204 5.411 8.223 1.00 0.00 O ATOM 141 CB ILE A 9 -2.649 3.520 5.531 1.00 0.00 C ATOM 142 CG1 ILE A 9 -2.795 2.052 4.993 1.00 0.00 C ATOM 143 CG2 ILE A 9 -1.163 3.974 5.507 1.00 0.00 C ATOM 144 CD1 ILE A 9 -2.113 0.968 5.834 1.00 0.00 C ATOM 0 H ILE A 9 -5.084 3.072 6.048 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.739 3.000 7.638 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.203 4.183 4.866 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.856 1.815 4.919 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.388 2.012 3.983 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.763 3.858 4.500 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.097 5.020 5.805 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.584 3.362 6.199 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.276 -0.006 5.373 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.043 1.169 5.889 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.534 0.969 6.839 1.00 0.00 H new ATOM 156 N LYS A 10 -4.099 5.979 7.116 1.00 0.00 N ATOM 157 CA LYS A 10 -4.176 7.372 7.609 1.00 0.00 C ATOM 158 C LYS A 10 -4.373 7.400 9.144 1.00 0.00 C ATOM 159 O LYS A 10 -3.797 8.222 9.831 1.00 0.00 O ATOM 160 CB LYS A 10 -5.354 8.107 6.915 1.00 0.00 C ATOM 161 CG LYS A 10 -5.582 9.569 7.384 1.00 0.00 C ATOM 162 CD LYS A 10 -6.930 10.162 6.901 1.00 0.00 C ATOM 163 CE LYS A 10 -8.149 9.370 7.420 1.00 0.00 C ATOM 164 NZ LYS A 10 -9.437 10.027 7.085 1.00 0.00 N ATOM 0 H LYS A 10 -4.843 5.737 6.461 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.240 7.877 7.372 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.178 8.110 5.839 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.269 7.539 7.087 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.546 9.604 8.473 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.766 10.193 7.018 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.006 11.197 7.233 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.947 10.174 5.811 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.135 8.367 6.994 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.072 9.258 8.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.224 9.457 7.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.465 10.975 7.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.526 10.111 6.052 1.00 0.00 H new ATOM 178 N ARG A 11 -5.264 6.521 9.607 1.00 0.00 N ATOM 179 CA ARG A 11 -5.551 6.283 11.037 1.00 0.00 C ATOM 180 C ARG A 11 -4.271 5.978 11.853 1.00 0.00 C ATOM 181 O ARG A 11 -3.919 6.734 12.765 1.00 0.00 O ATOM 182 CB ARG A 11 -6.572 5.129 11.160 1.00 0.00 C ATOM 183 CG ARG A 11 -7.061 4.820 12.589 1.00 0.00 C ATOM 184 CD ARG A 11 -8.019 3.607 12.640 1.00 0.00 C ATOM 185 NE ARG A 11 -9.011 3.614 11.542 1.00 0.00 N ATOM 186 CZ ARG A 11 -10.333 3.814 11.661 1.00 0.00 C ATOM 187 NH1 ARG A 11 -10.890 4.085 12.837 1.00 0.00 N ATOM 188 NH2 ARG A 11 -11.094 3.739 10.580 1.00 0.00 N ATOM 0 H ARG A 11 -5.825 5.936 8.987 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.972 7.196 11.458 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.438 5.367 10.543 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.124 4.226 10.746 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.201 4.626 13.230 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.568 5.696 12.993 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.436 2.687 12.591 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.542 3.603 13.596 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.655 3.450 10.600 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.310 4.145 13.674 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.897 4.233 12.902 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.674 3.532 9.674 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.100 3.888 10.653 1.00 0.00 H new ATOM 202 N LEU A 12 -3.581 4.871 11.520 1.00 0.00 N ATOM 203 CA LEU A 12 -2.369 4.434 12.261 1.00 0.00 C ATOM 204 C LEU A 12 -1.215 5.456 12.115 1.00 0.00 C ATOM 205 O LEU A 12 -0.421 5.647 13.043 1.00 0.00 O ATOM 206 CB LEU A 12 -1.964 2.987 11.835 1.00 0.00 C ATOM 207 CG LEU A 12 -1.732 2.726 10.297 1.00 0.00 C ATOM 208 CD1 LEU A 12 -0.264 2.944 9.872 1.00 0.00 C ATOM 209 CD2 LEU A 12 -2.234 1.329 9.869 1.00 0.00 C ATOM 0 H LEU A 12 -3.837 4.260 10.745 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.602 4.400 13.325 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.048 2.723 12.364 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.740 2.304 12.180 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.329 3.471 9.770 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.162 2.751 8.804 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.027 3.973 10.084 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.381 2.263 10.427 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.056 1.189 8.803 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.699 0.563 10.430 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.302 1.248 10.072 1.00 0.00 H new ATOM 221 N SER A 13 -1.110 6.069 10.916 1.00 0.00 N ATOM 222 CA SER A 13 -0.265 7.251 10.679 1.00 0.00 C ATOM 223 C SER A 13 -0.552 8.359 11.711 1.00 0.00 C ATOM 224 O SER A 13 0.355 8.798 12.387 1.00 0.00 O ATOM 225 CB SER A 13 -0.484 7.784 9.244 1.00 0.00 C ATOM 226 OG SER A 13 0.263 8.958 8.984 1.00 0.00 O ATOM 0 H SER A 13 -1.612 5.754 10.086 1.00 0.00 H new ATOM 0 HA SER A 13 0.777 6.950 10.791 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.205 7.013 8.526 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.544 7.990 9.094 1.00 0.00 H new ATOM 0 HG SER A 13 0.094 9.257 8.066 1.00 0.00 H new ATOM 232 N ASP A 14 -1.829 8.777 11.815 1.00 0.00 N ATOM 233 CA ASP A 14 -2.292 9.799 12.794 1.00 0.00 C ATOM 234 C ASP A 14 -1.967 9.405 14.251 1.00 0.00 C ATOM 235 O ASP A 14 -1.761 10.272 15.104 1.00 0.00 O ATOM 236 CB ASP A 14 -3.822 10.008 12.633 1.00 0.00 C ATOM 237 CG ASP A 14 -4.406 11.104 13.546 1.00 0.00 C ATOM 238 OD1 ASP A 14 -4.170 12.304 13.276 1.00 0.00 O ATOM 239 OD2 ASP A 14 -5.093 10.778 14.540 1.00 0.00 O ATOM 0 H ASP A 14 -2.577 8.418 11.222 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.759 10.726 12.584 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.036 10.262 11.595 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.331 9.067 12.842 1.00 0.00 H new ATOM 244 N ARG A 15 -1.928 8.081 14.492 1.00 0.00 N ATOM 245 CA ARG A 15 -1.598 7.538 15.822 1.00 0.00 C ATOM 246 C ARG A 15 -0.132 7.856 16.162 1.00 0.00 C ATOM 247 O ARG A 15 0.149 8.569 17.133 1.00 0.00 O ATOM 248 CB ARG A 15 -1.867 6.008 15.916 1.00 0.00 C ATOM 249 CG ARG A 15 -1.757 5.435 17.353 1.00 0.00 C ATOM 250 CD ARG A 15 -2.758 6.089 18.320 1.00 0.00 C ATOM 251 NE ARG A 15 -2.555 5.661 19.717 1.00 0.00 N ATOM 252 CZ ARG A 15 -3.251 6.117 20.773 1.00 0.00 C ATOM 253 NH1 ARG A 15 -4.225 7.002 20.615 1.00 0.00 N ATOM 254 NH2 ARG A 15 -2.980 5.673 21.987 1.00 0.00 N ATOM 0 H ARG A 15 -2.120 7.371 13.786 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.251 8.017 16.551 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.864 5.800 15.529 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.160 5.485 15.272 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.930 4.359 17.327 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.744 5.586 17.725 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.663 7.173 18.258 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.773 5.840 18.011 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.831 4.965 19.896 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -4.455 7.346 19.683 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.744 7.339 21.426 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.242 4.983 22.125 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.509 6.020 22.787 1.00 0.00 H new ATOM 268 N LEU A 16 0.785 7.377 15.299 1.00 0.00 N ATOM 269 CA LEU A 16 2.237 7.521 15.509 1.00 0.00 C ATOM 270 C LEU A 16 2.652 9.012 15.401 1.00 0.00 C ATOM 271 O LEU A 16 3.511 9.463 16.146 1.00 0.00 O ATOM 272 CB LEU A 16 3.000 6.612 14.480 1.00 0.00 C ATOM 273 CG LEU A 16 4.489 6.199 14.822 1.00 0.00 C ATOM 274 CD1 LEU A 16 5.506 7.343 14.619 1.00 0.00 C ATOM 275 CD2 LEU A 16 4.600 5.615 16.254 1.00 0.00 C ATOM 0 H LEU A 16 0.541 6.882 14.441 1.00 0.00 H new ATOM 0 HA LEU A 16 2.505 7.191 16.513 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.421 5.698 14.347 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.008 7.127 13.519 1.00 0.00 H new ATOM 0 HG LEU A 16 4.751 5.421 14.105 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.506 6.990 14.872 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.488 7.666 13.578 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.244 8.182 15.264 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.636 5.342 16.456 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.274 6.362 16.978 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.969 4.730 16.336 1.00 0.00 H new ATOM 287 N ASP A 17 2.040 9.743 14.454 1.00 0.00 N ATOM 288 CA ASP A 17 2.243 11.196 14.255 1.00 0.00 C ATOM 289 C ASP A 17 1.900 12.011 15.517 1.00 0.00 C ATOM 290 O ASP A 17 2.704 12.842 15.961 1.00 0.00 O ATOM 291 CB ASP A 17 1.383 11.654 13.048 1.00 0.00 C ATOM 292 CG ASP A 17 1.497 13.146 12.720 1.00 0.00 C ATOM 293 OD1 ASP A 17 2.436 13.532 12.008 1.00 0.00 O ATOM 294 OD2 ASP A 17 0.643 13.939 13.162 1.00 0.00 O ATOM 0 H ASP A 17 1.378 9.338 13.792 1.00 0.00 H new ATOM 0 HA ASP A 17 3.299 11.378 14.053 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.675 11.078 12.170 1.00 0.00 H new ATOM 0 HB3 ASP A 17 0.338 11.418 13.251 1.00 0.00 H new ATOM 299 N ALA A 18 0.677 11.819 16.048 1.00 0.00 N ATOM 300 CA ALA A 18 0.273 12.357 17.362 1.00 0.00 C ATOM 301 C ALA A 18 1.260 11.973 18.477 1.00 0.00 C ATOM 302 O ALA A 18 1.526 12.781 19.363 1.00 0.00 O ATOM 303 CB ALA A 18 -1.145 11.909 17.725 1.00 0.00 C ATOM 0 H ALA A 18 -0.057 11.288 15.580 1.00 0.00 H new ATOM 0 HA ALA A 18 0.286 13.443 17.276 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.418 12.319 18.697 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.845 12.268 16.970 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.183 10.820 17.766 1.00 0.00 H new ATOM 309 N ILE A 19 1.815 10.747 18.390 1.00 0.00 N ATOM 310 CA ILE A 19 2.752 10.245 19.413 1.00 0.00 C ATOM 311 C ILE A 19 4.108 10.986 19.332 1.00 0.00 C ATOM 312 O ILE A 19 4.612 11.419 20.367 1.00 0.00 O ATOM 313 CB ILE A 19 2.919 8.669 19.377 1.00 0.00 C ATOM 314 CG1 ILE A 19 1.598 7.984 19.876 1.00 0.00 C ATOM 315 CG2 ILE A 19 4.135 8.174 20.208 1.00 0.00 C ATOM 316 CD1 ILE A 19 1.635 6.471 19.903 1.00 0.00 C ATOM 0 H ILE A 19 1.632 10.093 17.629 1.00 0.00 H new ATOM 0 HA ILE A 19 2.313 10.467 20.386 1.00 0.00 H new ATOM 0 HB ILE A 19 3.113 8.386 18.342 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.376 8.345 20.880 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.776 8.301 19.234 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.200 7.088 20.147 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.050 8.615 19.812 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.010 8.472 21.249 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.679 6.090 20.261 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.822 6.094 18.898 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.431 6.138 20.570 1.00 0.00 H new ATOM 328 N ARG A 20 4.704 11.145 18.132 1.00 0.00 N ATOM 329 CA ARG A 20 5.987 11.851 17.933 1.00 0.00 C ATOM 330 C ARG A 20 5.894 13.362 18.216 1.00 0.00 C ATOM 331 O ARG A 20 6.886 13.949 18.630 1.00 0.00 O ATOM 332 CB ARG A 20 6.559 11.551 16.503 1.00 0.00 C ATOM 333 CG ARG A 20 5.710 12.053 15.288 1.00 0.00 C ATOM 334 CD ARG A 20 5.994 13.519 14.878 1.00 0.00 C ATOM 335 NE ARG A 20 4.961 14.085 13.982 1.00 0.00 N ATOM 336 CZ ARG A 20 5.054 15.267 13.341 1.00 0.00 C ATOM 337 NH1 ARG A 20 6.189 15.957 13.336 1.00 0.00 N ATOM 338 NH2 ARG A 20 4.015 15.743 12.682 1.00 0.00 N ATOM 0 H ARG A 20 4.304 10.784 17.266 1.00 0.00 H new ATOM 0 HA ARG A 20 6.689 11.462 18.671 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.551 11.997 16.433 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.687 10.473 16.407 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.901 11.405 14.433 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.652 11.954 15.533 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.063 14.133 15.776 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.963 13.569 14.382 1.00 0.00 H new ATOM 0 HE ARG A 20 4.112 13.538 13.838 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.009 15.594 13.823 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.241 16.850 12.846 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.142 15.217 12.658 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.085 16.637 12.197 1.00 0.00 H new ATOM 352 N HIS A 21 4.726 14.005 17.962 1.00 0.00 N ATOM 353 CA HIS A 21 4.468 15.420 18.338 1.00 0.00 C ATOM 354 C HIS A 21 4.372 15.561 19.859 1.00 0.00 C ATOM 355 O HIS A 21 4.878 16.506 20.450 1.00 0.00 O ATOM 356 CB HIS A 21 3.133 15.874 17.681 1.00 0.00 C ATOM 357 CG HIS A 21 2.843 17.368 17.731 1.00 0.00 C ATOM 358 ND1 HIS A 21 2.700 18.083 18.904 1.00 0.00 N ATOM 359 CD2 HIS A 21 2.637 18.268 16.736 1.00 0.00 C ATOM 360 CE1 HIS A 21 2.415 19.341 18.625 1.00 0.00 C ATOM 361 NE2 HIS A 21 2.375 19.481 17.319 1.00 0.00 N ATOM 0 H HIS A 21 3.938 13.559 17.492 1.00 0.00 H new ATOM 0 HA HIS A 21 5.290 16.044 17.988 1.00 0.00 H new ATOM 0 HB2 HIS A 21 3.138 15.559 16.638 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.313 15.347 18.169 1.00 0.00 H new ATOM 0 HD2 HIS A 21 2.673 18.065 15.676 1.00 0.00 H new ATOM 0 HE1 HIS A 21 2.243 20.124 19.349 1.00 0.00 H new ATOM 0 HE2 HIS A 21 2.181 20.350 16.821 1.00 0.00 H new ATOM 370 N GLN A 22 3.670 14.596 20.434 1.00 0.00 N ATOM 371 CA GLN A 22 3.522 14.461 21.886 1.00 0.00 C ATOM 372 C GLN A 22 4.906 14.321 22.551 1.00 0.00 C ATOM 373 O GLN A 22 5.170 14.956 23.569 1.00 0.00 O ATOM 374 CB GLN A 22 2.583 13.273 22.188 1.00 0.00 C ATOM 375 CG GLN A 22 2.614 12.708 23.604 1.00 0.00 C ATOM 376 CD GLN A 22 1.630 11.544 23.769 1.00 0.00 C ATOM 377 OE1 GLN A 22 0.498 11.724 24.216 1.00 0.00 O ATOM 378 NE2 GLN A 22 2.032 10.362 23.329 1.00 0.00 N ATOM 0 H GLN A 22 3.180 13.874 19.905 1.00 0.00 H new ATOM 0 HA GLN A 22 3.067 15.356 22.310 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.562 13.585 21.970 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.824 12.466 21.496 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.623 12.368 23.839 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.369 13.496 24.316 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.978 10.248 22.965 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.396 9.565 23.354 1.00 0.00 H new ATOM 387 N GLN A 23 5.795 13.528 21.926 1.00 0.00 N ATOM 388 CA GLN A 23 7.168 13.317 22.415 1.00 0.00 C ATOM 389 C GLN A 23 8.121 14.433 21.981 1.00 0.00 C ATOM 390 O GLN A 23 9.238 14.488 22.465 1.00 0.00 O ATOM 391 CB GLN A 23 7.693 11.957 21.922 1.00 0.00 C ATOM 392 CG GLN A 23 6.944 10.761 22.505 1.00 0.00 C ATOM 393 CD GLN A 23 7.525 9.424 22.069 1.00 0.00 C ATOM 394 OE1 GLN A 23 7.135 8.877 21.052 1.00 0.00 O ATOM 395 NE2 GLN A 23 8.451 8.885 22.852 1.00 0.00 N ATOM 0 H GLN A 23 5.582 13.017 21.070 1.00 0.00 H new ATOM 0 HA GLN A 23 7.131 13.330 23.504 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.623 11.923 20.835 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.749 11.872 22.176 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.965 10.822 23.593 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.898 10.812 22.203 1.00 0.00 H new ATOM 0 HE21 GLN A 23 8.752 9.373 23.696 1.00 0.00 H new ATOM 0 HE22 GLN A 23 8.861 7.983 22.610 1.00 0.00 H new ATOM 404 N ALA A 24 7.712 15.243 21.001 1.00 0.00 N ATOM 405 CA ALA A 24 8.417 16.495 20.661 1.00 0.00 C ATOM 406 C ALA A 24 8.273 17.528 21.784 1.00 0.00 C ATOM 407 O ALA A 24 9.270 18.077 22.265 1.00 0.00 O ATOM 408 CB ALA A 24 7.927 17.058 19.321 1.00 0.00 C ATOM 0 H ALA A 24 6.892 15.058 20.423 1.00 0.00 H new ATOM 0 HA ALA A 24 9.477 16.265 20.555 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.463 17.980 19.096 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.110 16.329 18.531 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.859 17.265 19.382 1.00 0.00 H new ATOM 414 N ASP A 25 7.018 17.800 22.180 1.00 0.00 N ATOM 415 CA ASP A 25 6.725 18.675 23.336 1.00 0.00 C ATOM 416 C ASP A 25 7.189 18.046 24.667 1.00 0.00 C ATOM 417 O ASP A 25 7.304 18.738 25.669 1.00 0.00 O ATOM 418 CB ASP A 25 5.209 18.988 23.375 1.00 0.00 C ATOM 419 CG ASP A 25 4.744 19.850 22.186 1.00 0.00 C ATOM 420 OD1 ASP A 25 4.619 19.320 21.060 1.00 0.00 O ATOM 421 OD2 ASP A 25 4.508 21.066 22.366 1.00 0.00 O ATOM 0 H ASP A 25 6.188 17.428 21.719 1.00 0.00 H new ATOM 0 HA ASP A 25 7.284 19.603 23.213 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.650 18.052 23.379 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.974 19.504 24.306 1.00 0.00 H new ATOM 426 N LEU A 26 7.460 16.727 24.640 1.00 0.00 N ATOM 427 CA LEU A 26 8.089 16.052 25.807 1.00 0.00 C ATOM 428 C LEU A 26 9.589 15.806 25.568 1.00 0.00 C ATOM 429 O LEU A 26 10.092 15.924 24.457 1.00 0.00 O ATOM 430 CB LEU A 26 7.374 14.731 26.195 1.00 0.00 C ATOM 431 CG LEU A 26 5.871 14.839 26.641 1.00 0.00 C ATOM 432 CD1 LEU A 26 5.414 13.568 27.381 1.00 0.00 C ATOM 433 CD2 LEU A 26 5.598 16.094 27.498 1.00 0.00 C ATOM 0 H LEU A 26 7.262 16.115 23.848 1.00 0.00 H new ATOM 0 HA LEU A 26 7.978 16.734 26.650 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.427 14.054 25.342 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.936 14.267 27.006 1.00 0.00 H new ATOM 0 HG LEU A 26 5.284 14.938 25.728 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.370 13.674 27.676 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.519 12.706 26.722 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.029 13.423 28.269 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.545 16.120 27.779 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.213 16.061 28.397 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.842 16.987 26.923 1.00 0.00 H new ATOM 445 N SER A 27 10.299 15.543 26.662 1.00 0.00 N ATOM 446 CA SER A 27 11.729 15.194 26.633 1.00 0.00 C ATOM 447 C SER A 27 11.992 14.035 27.593 1.00 0.00 C ATOM 448 O SER A 27 11.169 13.734 28.477 1.00 0.00 O ATOM 449 CB SER A 27 12.592 16.409 27.043 1.00 0.00 C ATOM 450 OG SER A 27 13.985 16.151 26.904 1.00 0.00 O ATOM 0 H SER A 27 9.903 15.564 27.602 1.00 0.00 H new ATOM 0 HA SER A 27 11.997 14.900 25.618 1.00 0.00 H new ATOM 0 HB2 SER A 27 12.321 17.269 26.430 1.00 0.00 H new ATOM 0 HB3 SER A 27 12.375 16.674 28.078 1.00 0.00 H new ATOM 0 HG SER A 27 14.493 16.945 27.172 1.00 0.00 H new ATOM 456 N LEU A 28 13.150 13.401 27.416 1.00 0.00 N ATOM 457 CA LEU A 28 13.658 12.385 28.336 1.00 0.00 C ATOM 458 C LEU A 28 14.036 13.043 29.673 1.00 0.00 C ATOM 459 O LEU A 28 13.750 12.501 30.747 1.00 0.00 O ATOM 460 CB LEU A 28 14.873 11.659 27.673 1.00 0.00 C ATOM 461 CG LEU A 28 15.415 10.357 28.367 1.00 0.00 C ATOM 462 CD1 LEU A 28 16.377 10.643 29.550 1.00 0.00 C ATOM 463 CD2 LEU A 28 14.239 9.455 28.812 1.00 0.00 C ATOM 0 H LEU A 28 13.767 13.580 26.624 1.00 0.00 H new ATOM 0 HA LEU A 28 12.892 11.638 28.545 1.00 0.00 H new ATOM 0 HB2 LEU A 28 14.593 11.403 26.651 1.00 0.00 H new ATOM 0 HB3 LEU A 28 15.695 12.372 27.609 1.00 0.00 H new ATOM 0 HG LEU A 28 16.009 9.830 27.621 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.713 9.700 29.982 1.00 0.00 H new ATOM 0 HD12 LEU A 28 17.239 11.204 29.190 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.856 11.225 30.310 1.00 0.00 H new ATOM 0 HD21 LEU A 28 14.630 8.557 29.291 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.611 9.998 29.518 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.647 9.173 27.941 1.00 0.00 H new ATOM 475 N VAL A 29 14.656 14.231 29.575 1.00 0.00 N ATOM 476 CA VAL A 29 15.172 14.982 30.733 1.00 0.00 C ATOM 477 C VAL A 29 14.030 15.362 31.703 1.00 0.00 C ATOM 478 O VAL A 29 14.154 15.188 32.921 1.00 0.00 O ATOM 479 CB VAL A 29 15.954 16.262 30.267 1.00 0.00 C ATOM 480 CG1 VAL A 29 16.538 17.053 31.463 1.00 0.00 C ATOM 481 CG2 VAL A 29 17.065 15.886 29.262 1.00 0.00 C ATOM 0 H VAL A 29 14.815 14.701 28.684 1.00 0.00 H new ATOM 0 HA VAL A 29 15.867 14.334 31.268 1.00 0.00 H new ATOM 0 HB VAL A 29 15.239 16.916 29.767 1.00 0.00 H new ATOM 0 HG11 VAL A 29 17.070 17.930 31.094 1.00 0.00 H new ATOM 0 HG12 VAL A 29 15.728 17.370 32.120 1.00 0.00 H new ATOM 0 HG13 VAL A 29 17.227 16.417 32.018 1.00 0.00 H new ATOM 0 HG21 VAL A 29 17.595 16.787 28.952 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.766 15.198 29.735 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.620 15.408 28.389 1.00 0.00 H new ATOM 491 N GLU A 30 12.905 15.819 31.135 1.00 0.00 N ATOM 492 CA GLU A 30 11.746 16.260 31.936 1.00 0.00 C ATOM 493 C GLU A 30 10.903 15.057 32.411 1.00 0.00 C ATOM 494 O GLU A 30 10.353 15.091 33.510 1.00 0.00 O ATOM 495 CB GLU A 30 10.858 17.251 31.132 1.00 0.00 C ATOM 496 CG GLU A 30 10.201 16.644 29.883 1.00 0.00 C ATOM 497 CD GLU A 30 9.230 17.589 29.174 1.00 0.00 C ATOM 498 OE1 GLU A 30 8.058 17.660 29.588 1.00 0.00 O ATOM 499 OE2 GLU A 30 9.634 18.257 28.195 1.00 0.00 O ATOM 0 H GLU A 30 12.770 15.894 30.127 1.00 0.00 H new ATOM 0 HA GLU A 30 12.134 16.775 32.815 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.077 17.635 31.788 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.467 18.103 30.830 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.981 16.347 29.182 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.667 15.738 30.169 1.00 0.00 H new ATOM 506 N ALA A 31 10.805 14.006 31.567 1.00 0.00 N ATOM 507 CA ALA A 31 9.894 12.876 31.823 1.00 0.00 C ATOM 508 C ALA A 31 10.559 11.522 31.492 1.00 0.00 C ATOM 509 O ALA A 31 10.216 10.885 30.514 1.00 0.00 O ATOM 510 CB ALA A 31 8.579 13.076 31.024 1.00 0.00 C ATOM 0 H ALA A 31 11.345 13.920 30.706 1.00 0.00 H new ATOM 0 HA ALA A 31 9.657 12.854 32.887 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.907 12.239 31.215 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.101 14.004 31.337 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.804 13.125 29.959 1.00 0.00 H new ATOM 516 N ALA A 32 11.507 11.071 32.333 1.00 0.00 N ATOM 517 CA ALA A 32 12.170 9.753 32.161 1.00 0.00 C ATOM 518 C ALA A 32 11.266 8.645 32.743 1.00 0.00 C ATOM 519 O ALA A 32 11.666 7.867 33.618 1.00 0.00 O ATOM 520 CB ALA A 32 13.571 9.765 32.810 1.00 0.00 C ATOM 0 H ALA A 32 11.836 11.597 33.143 1.00 0.00 H new ATOM 0 HA ALA A 32 12.315 9.547 31.100 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.043 8.792 32.675 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.184 10.534 32.339 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.477 9.978 33.875 1.00 0.00 H new ATOM 526 N ASP A 33 10.043 8.579 32.193 1.00 0.00 N ATOM 527 CA ASP A 33 8.923 7.798 32.712 1.00 0.00 C ATOM 528 C ASP A 33 7.773 7.923 31.712 1.00 0.00 C ATOM 529 O ASP A 33 7.576 7.023 30.930 1.00 0.00 O ATOM 530 CB ASP A 33 8.482 8.235 34.135 1.00 0.00 C ATOM 531 CG ASP A 33 7.306 7.401 34.680 1.00 0.00 C ATOM 532 OD1 ASP A 33 7.536 6.288 35.198 1.00 0.00 O ATOM 533 OD2 ASP A 33 6.144 7.843 34.572 1.00 0.00 O ATOM 0 H ASP A 33 9.804 9.090 31.343 1.00 0.00 H new ATOM 0 HA ASP A 33 9.235 6.759 32.819 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.329 8.148 34.815 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.197 9.287 34.115 1.00 0.00 H new ATOM 538 N LYS A 34 7.033 9.061 31.750 1.00 0.00 N ATOM 539 CA LYS A 34 5.956 9.349 30.767 1.00 0.00 C ATOM 540 C LYS A 34 6.507 9.221 29.321 1.00 0.00 C ATOM 541 O LYS A 34 5.984 8.435 28.528 1.00 0.00 O ATOM 542 CB LYS A 34 5.347 10.768 31.035 1.00 0.00 C ATOM 543 CG LYS A 34 3.862 10.983 30.610 1.00 0.00 C ATOM 544 CD LYS A 34 3.612 10.833 29.091 1.00 0.00 C ATOM 545 CE LYS A 34 2.174 11.157 28.664 1.00 0.00 C ATOM 546 NZ LYS A 34 1.176 10.253 29.284 1.00 0.00 N ATOM 0 H LYS A 34 7.162 9.792 32.449 1.00 0.00 H new ATOM 0 HA LYS A 34 5.155 8.619 30.882 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.430 10.978 32.101 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.960 11.505 30.516 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.236 10.268 31.143 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.546 11.978 30.923 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.297 11.489 28.553 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.848 9.812 28.793 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.942 12.187 28.934 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.097 11.087 27.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.223 10.516 28.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.377 9.271 29.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.227 10.337 30.319 1.00 0.00 H new ATOM 560 N TYR A 35 7.622 9.939 29.048 1.00 0.00 N ATOM 561 CA TYR A 35 8.289 9.920 27.723 1.00 0.00 C ATOM 562 C TYR A 35 8.786 8.494 27.413 1.00 0.00 C ATOM 563 O TYR A 35 8.794 8.077 26.260 1.00 0.00 O ATOM 564 CB TYR A 35 9.462 10.935 27.678 1.00 0.00 C ATOM 565 CG TYR A 35 10.265 10.973 26.369 1.00 0.00 C ATOM 566 CD1 TYR A 35 9.831 11.727 25.278 1.00 0.00 C ATOM 567 CD2 TYR A 35 11.464 10.258 26.228 1.00 0.00 C ATOM 568 CE1 TYR A 35 10.555 11.758 24.108 1.00 0.00 C ATOM 569 CE2 TYR A 35 12.185 10.294 25.057 1.00 0.00 C ATOM 570 CZ TYR A 35 11.725 11.044 24.002 1.00 0.00 C ATOM 571 OH TYR A 35 12.431 11.071 22.830 1.00 0.00 O ATOM 0 H TYR A 35 8.081 10.542 29.731 1.00 0.00 H new ATOM 0 HA TYR A 35 7.567 10.216 26.962 1.00 0.00 H new ATOM 0 HB2 TYR A 35 9.062 11.932 27.866 1.00 0.00 H new ATOM 0 HB3 TYR A 35 10.146 10.707 28.495 1.00 0.00 H new ATOM 0 HD1 TYR A 35 8.915 12.294 25.353 1.00 0.00 H new ATOM 0 HD2 TYR A 35 11.828 9.667 27.056 1.00 0.00 H new ATOM 0 HE1 TYR A 35 10.203 12.344 23.272 1.00 0.00 H new ATOM 0 HE2 TYR A 35 13.106 9.737 24.968 1.00 0.00 H new ATOM 0 HH TYR A 35 13.234 10.516 22.919 1.00 0.00 H new ATOM 581 N ALA A 36 9.180 7.763 28.476 1.00 0.00 N ATOM 582 CA ALA A 36 9.672 6.379 28.367 1.00 0.00 C ATOM 583 C ALA A 36 8.563 5.413 27.906 1.00 0.00 C ATOM 584 O ALA A 36 8.806 4.586 27.038 1.00 0.00 O ATOM 585 CB ALA A 36 10.282 5.916 29.695 1.00 0.00 C ATOM 0 H ALA A 36 9.165 8.118 29.432 1.00 0.00 H new ATOM 0 HA ALA A 36 10.451 6.366 27.605 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.639 4.891 29.594 1.00 0.00 H new ATOM 0 HB2 ALA A 36 11.116 6.567 29.959 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.525 5.960 30.478 1.00 0.00 H new ATOM 591 N GLU A 37 7.341 5.541 28.470 1.00 0.00 N ATOM 592 CA GLU A 37 6.162 4.740 28.089 1.00 0.00 C ATOM 593 C GLU A 37 5.789 5.015 26.634 1.00 0.00 C ATOM 594 O GLU A 37 5.371 4.135 25.928 1.00 0.00 O ATOM 595 CB GLU A 37 4.945 5.046 29.006 1.00 0.00 C ATOM 596 CG GLU A 37 5.250 5.072 30.517 1.00 0.00 C ATOM 597 CD GLU A 37 6.032 3.843 31.028 1.00 0.00 C ATOM 598 OE1 GLU A 37 5.452 2.745 31.096 1.00 0.00 O ATOM 599 OE2 GLU A 37 7.230 3.972 31.374 1.00 0.00 O ATOM 0 H GLU A 37 7.146 6.213 29.212 1.00 0.00 H new ATOM 0 HA GLU A 37 6.423 3.688 28.209 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.528 6.012 28.719 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.174 4.298 28.820 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.821 5.972 30.745 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.310 5.143 31.064 1.00 0.00 H new ATOM 606 N LEU A 38 5.895 6.284 26.273 1.00 0.00 N ATOM 607 CA LEU A 38 5.689 6.743 24.887 1.00 0.00 C ATOM 608 C LEU A 38 6.711 6.101 23.899 1.00 0.00 C ATOM 609 O LEU A 38 6.352 5.776 22.773 1.00 0.00 O ATOM 610 CB LEU A 38 5.725 8.274 24.824 1.00 0.00 C ATOM 611 CG LEU A 38 4.712 9.015 25.745 1.00 0.00 C ATOM 612 CD1 LEU A 38 4.798 10.534 25.538 1.00 0.00 C ATOM 613 CD2 LEU A 38 3.265 8.488 25.574 1.00 0.00 C ATOM 0 H LEU A 38 6.126 7.034 26.925 1.00 0.00 H new ATOM 0 HA LEU A 38 4.702 6.410 24.567 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.731 8.606 25.082 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.542 8.581 23.794 1.00 0.00 H new ATOM 0 HG LEU A 38 4.992 8.802 26.777 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.081 11.031 26.192 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.805 10.877 25.776 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.569 10.773 24.500 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.597 9.037 26.238 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.946 8.629 24.541 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.232 7.427 25.823 1.00 0.00 H new ATOM 625 N GLU A 39 7.985 5.999 24.330 1.00 0.00 N ATOM 626 CA GLU A 39 9.057 5.223 23.626 1.00 0.00 C ATOM 627 C GLU A 39 8.697 3.715 23.485 1.00 0.00 C ATOM 628 O GLU A 39 9.035 3.078 22.493 1.00 0.00 O ATOM 629 CB GLU A 39 10.396 5.363 24.396 1.00 0.00 C ATOM 630 CG GLU A 39 11.027 6.773 24.362 1.00 0.00 C ATOM 631 CD GLU A 39 11.637 7.149 22.997 1.00 0.00 C ATOM 632 OE1 GLU A 39 12.800 6.780 22.745 1.00 0.00 O ATOM 633 OE2 GLU A 39 10.976 7.818 22.181 1.00 0.00 O ATOM 0 H GLU A 39 8.314 6.452 25.183 1.00 0.00 H new ATOM 0 HA GLU A 39 9.152 5.637 22.622 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.231 5.081 25.436 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.111 4.652 23.983 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.266 7.508 24.624 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.803 6.832 25.125 1.00 0.00 H new ATOM 640 N LYS A 40 8.046 3.186 24.518 1.00 0.00 N ATOM 641 CA LYS A 40 7.600 1.767 24.555 1.00 0.00 C ATOM 642 C LYS A 40 6.446 1.554 23.541 1.00 0.00 C ATOM 643 O LYS A 40 6.491 0.654 22.702 1.00 0.00 O ATOM 644 CB LYS A 40 7.158 1.365 25.976 1.00 0.00 C ATOM 645 CG LYS A 40 8.256 1.523 27.044 1.00 0.00 C ATOM 646 CD LYS A 40 7.746 1.197 28.464 1.00 0.00 C ATOM 647 CE LYS A 40 8.793 1.461 29.558 1.00 0.00 C ATOM 648 NZ LYS A 40 8.238 1.218 30.914 1.00 0.00 N ATOM 0 H LYS A 40 7.806 3.714 25.357 1.00 0.00 H new ATOM 0 HA LYS A 40 8.439 1.129 24.276 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.298 1.970 26.262 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.827 0.327 25.962 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.092 0.867 26.802 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.636 2.545 27.023 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.857 1.793 28.670 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.444 0.150 28.504 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.658 0.818 29.397 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.143 2.491 29.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.980 0.825 31.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.896 2.115 31.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.448 0.544 30.850 1.00 0.00 H new ATOM 662 N GLU A 41 5.427 2.414 23.700 1.00 0.00 N ATOM 663 CA GLU A 41 4.256 2.504 22.793 1.00 0.00 C ATOM 664 C GLU A 41 4.692 2.648 21.329 1.00 0.00 C ATOM 665 O GLU A 41 4.112 2.027 20.450 1.00 0.00 O ATOM 666 CB GLU A 41 3.335 3.702 23.183 1.00 0.00 C ATOM 667 CG GLU A 41 2.601 3.526 24.522 1.00 0.00 C ATOM 668 CD GLU A 41 1.643 2.326 24.521 1.00 0.00 C ATOM 669 OE1 GLU A 41 0.504 2.467 24.022 1.00 0.00 O ATOM 670 OE2 GLU A 41 2.016 1.238 25.012 1.00 0.00 O ATOM 0 H GLU A 41 5.387 3.079 24.472 1.00 0.00 H new ATOM 0 HA GLU A 41 3.696 1.575 22.901 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.938 4.609 23.229 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.597 3.850 22.394 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.334 3.400 25.319 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.040 4.433 24.746 1.00 0.00 H new ATOM 677 N LYS A 42 5.704 3.497 21.113 1.00 0.00 N ATOM 678 CA LYS A 42 6.319 3.702 19.794 1.00 0.00 C ATOM 679 C LYS A 42 6.937 2.372 19.304 1.00 0.00 C ATOM 680 O LYS A 42 6.519 1.841 18.299 1.00 0.00 O ATOM 681 CB LYS A 42 7.412 4.804 19.857 1.00 0.00 C ATOM 682 CG LYS A 42 8.101 5.104 18.497 1.00 0.00 C ATOM 683 CD LYS A 42 9.373 5.971 18.646 1.00 0.00 C ATOM 684 CE LYS A 42 9.090 7.346 19.266 1.00 0.00 C ATOM 685 NZ LYS A 42 10.322 8.161 19.431 1.00 0.00 N ATOM 0 H LYS A 42 6.122 4.064 21.851 1.00 0.00 H new ATOM 0 HA LYS A 42 5.549 4.028 19.095 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.963 5.723 20.233 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.173 4.503 20.577 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.363 4.163 18.013 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.394 5.614 17.842 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.097 5.441 19.265 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.830 6.107 17.666 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.383 7.886 18.637 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.614 7.212 20.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.123 9.148 19.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.635 8.120 20.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.071 7.786 18.815 1.00 0.00 H new ATOM 699 N ALA A 43 7.929 1.867 20.068 1.00 0.00 N ATOM 700 CA ALA A 43 8.716 0.640 19.757 1.00 0.00 C ATOM 701 C ALA A 43 7.836 -0.578 19.375 1.00 0.00 C ATOM 702 O ALA A 43 8.156 -1.313 18.421 1.00 0.00 O ATOM 703 CB ALA A 43 9.619 0.288 20.947 1.00 0.00 C ATOM 0 H ALA A 43 8.217 2.308 20.942 1.00 0.00 H new ATOM 0 HA ALA A 43 9.320 0.868 18.879 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.193 -0.610 20.716 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.302 1.115 21.143 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.005 0.108 21.829 1.00 0.00 H new ATOM 709 N THR A 44 6.720 -0.769 20.101 1.00 0.00 N ATOM 710 CA THR A 44 5.736 -1.840 19.906 1.00 0.00 C ATOM 711 C THR A 44 4.835 -1.553 18.701 1.00 0.00 C ATOM 712 O THR A 44 4.531 -2.465 17.938 1.00 0.00 O ATOM 713 CB THR A 44 4.874 -2.029 21.201 1.00 0.00 C ATOM 714 OG1 THR A 44 5.743 -2.135 22.335 1.00 0.00 O ATOM 715 CG2 THR A 44 3.993 -3.290 21.142 1.00 0.00 C ATOM 0 H THR A 44 6.472 -0.151 20.874 1.00 0.00 H new ATOM 0 HA THR A 44 6.278 -2.764 19.706 1.00 0.00 H new ATOM 0 HB THR A 44 4.218 -1.162 21.283 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.066 -1.244 22.584 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.416 -3.374 22.063 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.313 -3.219 20.293 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.625 -4.171 21.028 1.00 0.00 H new ATOM 723 N LEU A 45 4.358 -0.287 18.610 1.00 0.00 N ATOM 724 CA LEU A 45 3.622 0.176 17.400 1.00 0.00 C ATOM 725 C LEU A 45 4.411 -0.168 16.136 1.00 0.00 C ATOM 726 O LEU A 45 3.852 -0.736 15.221 1.00 0.00 O ATOM 727 CB LEU A 45 3.279 1.701 17.389 1.00 0.00 C ATOM 728 CG LEU A 45 1.935 2.131 18.058 1.00 0.00 C ATOM 729 CD1 LEU A 45 1.677 3.633 17.849 1.00 0.00 C ATOM 730 CD2 LEU A 45 0.746 1.291 17.534 1.00 0.00 C ATOM 0 H LEU A 45 4.464 0.419 19.339 1.00 0.00 H new ATOM 0 HA LEU A 45 2.670 -0.354 17.426 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.090 2.234 17.885 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.264 2.037 16.352 1.00 0.00 H new ATOM 0 HG LEU A 45 2.025 1.944 19.128 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.736 3.910 18.323 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.490 4.207 18.293 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.622 3.848 16.782 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.173 1.617 18.021 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.653 1.425 16.456 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.919 0.238 17.755 1.00 0.00 H new ATOM 742 N GLU A 46 5.703 0.179 16.112 1.00 0.00 N ATOM 743 CA GLU A 46 6.619 -0.128 15.014 1.00 0.00 C ATOM 744 C GLU A 46 6.686 -1.648 14.771 1.00 0.00 C ATOM 745 O GLU A 46 6.178 -2.109 13.740 1.00 0.00 O ATOM 746 CB GLU A 46 8.015 0.488 15.286 1.00 0.00 C ATOM 747 CG GLU A 46 7.987 2.017 15.517 1.00 0.00 C ATOM 748 CD GLU A 46 9.368 2.633 15.766 1.00 0.00 C ATOM 749 OE1 GLU A 46 9.982 2.323 16.805 1.00 0.00 O ATOM 750 OE2 GLU A 46 9.833 3.455 14.943 1.00 0.00 O ATOM 0 H GLU A 46 6.148 0.692 16.873 1.00 0.00 H new ATOM 0 HA GLU A 46 6.240 0.324 14.097 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.451 0.005 16.161 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.669 0.269 14.442 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.537 2.498 14.648 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.344 2.234 16.370 1.00 0.00 H new ATOM 757 N ALA A 47 7.356 -2.417 15.677 1.00 0.00 N ATOM 758 CA ALA A 47 7.368 -3.908 15.751 1.00 0.00 C ATOM 759 C ALA A 47 6.096 -4.572 15.164 1.00 0.00 C ATOM 760 O ALA A 47 6.201 -5.479 14.349 1.00 0.00 O ATOM 761 CB ALA A 47 7.559 -4.337 17.218 1.00 0.00 C ATOM 0 H ALA A 47 7.928 -1.995 16.408 1.00 0.00 H new ATOM 0 HA ALA A 47 8.198 -4.252 15.134 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.569 -5.425 17.281 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.504 -3.943 17.592 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.739 -3.946 17.821 1.00 0.00 H new ATOM 767 N GLU A 48 4.912 -4.077 15.568 1.00 0.00 N ATOM 768 CA GLU A 48 3.587 -4.464 15.060 1.00 0.00 C ATOM 769 C GLU A 48 3.422 -4.107 13.574 1.00 0.00 C ATOM 770 O GLU A 48 3.420 -4.971 12.732 1.00 0.00 O ATOM 771 CB GLU A 48 2.499 -3.736 15.894 1.00 0.00 C ATOM 772 CG GLU A 48 1.050 -4.086 15.530 1.00 0.00 C ATOM 773 CD GLU A 48 0.592 -5.437 16.120 1.00 0.00 C ATOM 774 OE1 GLU A 48 0.990 -6.503 15.607 1.00 0.00 O ATOM 775 OE2 GLU A 48 -0.144 -5.438 17.130 1.00 0.00 O ATOM 0 H GLU A 48 4.852 -3.362 16.293 1.00 0.00 H new ATOM 0 HA GLU A 48 3.483 -5.545 15.154 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.657 -3.967 16.947 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.635 -2.661 15.779 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.390 -3.296 15.888 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.951 -4.117 14.445 1.00 0.00 H new ATOM 782 N ILE A 49 3.341 -2.798 13.311 1.00 0.00 N ATOM 783 CA ILE A 49 3.065 -2.263 11.954 1.00 0.00 C ATOM 784 C ILE A 49 4.136 -2.690 10.919 1.00 0.00 C ATOM 785 O ILE A 49 3.883 -2.597 9.734 1.00 0.00 O ATOM 786 CB ILE A 49 2.867 -0.697 11.905 1.00 0.00 C ATOM 787 CG1 ILE A 49 4.215 0.050 12.172 1.00 0.00 C ATOM 788 CG2 ILE A 49 1.750 -0.249 12.894 1.00 0.00 C ATOM 789 CD1 ILE A 49 4.133 1.562 12.152 1.00 0.00 C ATOM 0 H ILE A 49 3.463 -2.076 14.021 1.00 0.00 H new ATOM 0 HA ILE A 49 2.111 -2.714 11.681 1.00 0.00 H new ATOM 0 HB ILE A 49 2.543 -0.425 10.901 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.599 -0.264 13.143 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.942 -0.268 11.424 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.631 0.833 12.843 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.810 -0.730 12.624 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.026 -0.536 13.909 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.119 1.982 12.348 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.784 1.895 11.174 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.436 1.899 12.920 1.00 0.00 H new ATOM 801 N ALA A 50 5.266 -3.282 11.359 1.00 0.00 N ATOM 802 CA ALA A 50 6.389 -3.669 10.500 1.00 0.00 C ATOM 803 C ALA A 50 6.404 -5.207 10.367 1.00 0.00 C ATOM 804 O ALA A 50 6.917 -5.740 9.403 1.00 0.00 O ATOM 805 CB ALA A 50 7.705 -3.137 11.079 1.00 0.00 C ATOM 0 H ALA A 50 5.420 -3.506 12.342 1.00 0.00 H new ATOM 0 HA ALA A 50 6.274 -3.233 9.508 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.532 -3.431 10.433 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.662 -2.050 11.142 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.858 -3.552 12.075 1.00 0.00 H new ATOM 811 N ARG A 51 5.878 -5.889 11.410 1.00 0.00 N ATOM 812 CA ARG A 51 5.485 -7.317 11.385 1.00 0.00 C ATOM 813 C ARG A 51 4.383 -7.508 10.317 1.00 0.00 C ATOM 814 O ARG A 51 4.462 -8.368 9.450 1.00 0.00 O ATOM 815 CB ARG A 51 4.990 -7.792 12.779 1.00 0.00 C ATOM 816 CG ARG A 51 4.714 -9.304 12.895 1.00 0.00 C ATOM 817 CD ARG A 51 5.981 -10.143 12.670 1.00 0.00 C ATOM 818 NE ARG A 51 5.719 -11.580 12.768 1.00 0.00 N ATOM 819 CZ ARG A 51 6.608 -12.552 12.524 1.00 0.00 C ATOM 820 NH1 ARG A 51 7.846 -12.272 12.136 1.00 0.00 N ATOM 821 NH2 ARG A 51 6.243 -13.807 12.679 1.00 0.00 N ATOM 0 H ARG A 51 5.711 -5.450 12.316 1.00 0.00 H new ATOM 0 HA ARG A 51 6.354 -7.924 11.131 1.00 0.00 H new ATOM 0 HB2 ARG A 51 5.735 -7.516 13.525 1.00 0.00 H new ATOM 0 HB3 ARG A 51 4.076 -7.252 13.026 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.306 -9.523 13.882 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.956 -9.590 12.166 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.394 -9.917 11.687 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.736 -9.862 13.405 1.00 0.00 H new ATOM 0 HE ARG A 51 4.780 -11.865 13.046 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.136 -11.301 12.018 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.507 -13.028 11.956 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.294 -14.029 12.981 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.909 -14.558 12.497 1.00 0.00 H new ATOM 835 N LEU A 52 3.366 -6.656 10.435 1.00 0.00 N ATOM 836 CA LEU A 52 2.269 -6.529 9.471 1.00 0.00 C ATOM 837 C LEU A 52 2.819 -6.156 8.076 1.00 0.00 C ATOM 838 O LEU A 52 2.399 -6.734 7.067 1.00 0.00 O ATOM 839 CB LEU A 52 1.197 -5.502 9.968 1.00 0.00 C ATOM 840 CG LEU A 52 0.121 -6.040 10.988 1.00 0.00 C ATOM 841 CD1 LEU A 52 -0.745 -7.151 10.366 1.00 0.00 C ATOM 842 CD2 LEU A 52 0.746 -6.528 12.309 1.00 0.00 C ATOM 0 H LEU A 52 3.278 -6.016 11.225 1.00 0.00 H new ATOM 0 HA LEU A 52 1.770 -7.494 9.385 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.718 -4.665 10.433 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.673 -5.108 9.097 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.520 -5.190 11.224 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.475 -7.497 11.098 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.266 -6.760 9.492 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.109 -7.984 10.067 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.040 -6.887 12.973 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.445 -7.338 12.103 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.276 -5.704 12.787 1.00 0.00 H new ATOM 854 N ARG A 53 3.778 -5.207 8.007 1.00 0.00 N ATOM 855 CA ARG A 53 4.444 -4.831 6.746 1.00 0.00 C ATOM 856 C ARG A 53 5.636 -5.759 6.367 1.00 0.00 C ATOM 857 O ARG A 53 6.279 -5.501 5.359 1.00 0.00 O ATOM 858 CB ARG A 53 4.897 -3.338 6.803 1.00 0.00 C ATOM 859 CG ARG A 53 3.746 -2.296 6.690 1.00 0.00 C ATOM 860 CD ARG A 53 4.212 -0.861 7.019 1.00 0.00 C ATOM 861 NE ARG A 53 3.120 0.123 6.890 1.00 0.00 N ATOM 862 CZ ARG A 53 3.026 1.284 7.568 1.00 0.00 C ATOM 863 NH1 ARG A 53 3.920 1.610 8.496 1.00 0.00 N ATOM 864 NH2 ARG A 53 2.026 2.113 7.311 1.00 0.00 N ATOM 0 H ARG A 53 4.108 -4.685 8.819 1.00 0.00 H new ATOM 0 HA ARG A 53 3.706 -4.960 5.954 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.428 -3.171 7.740 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.609 -3.159 5.997 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.337 -2.319 5.680 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.939 -2.576 7.367 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.606 -0.833 8.035 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.029 -0.584 6.352 1.00 0.00 H new ATOM 0 HE ARG A 53 2.372 -0.094 6.231 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.692 0.977 8.705 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.834 2.493 9.000 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.332 1.871 6.603 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.949 2.993 7.821 1.00 0.00 H new ATOM 878 N GLU A 54 5.959 -6.817 7.160 1.00 0.00 N ATOM 879 CA GLU A 54 6.892 -7.900 6.692 1.00 0.00 C ATOM 880 C GLU A 54 6.070 -9.073 6.140 1.00 0.00 C ATOM 881 O GLU A 54 6.551 -9.876 5.348 1.00 0.00 O ATOM 882 CB GLU A 54 7.904 -8.360 7.780 1.00 0.00 C ATOM 883 CG GLU A 54 7.357 -9.326 8.845 1.00 0.00 C ATOM 884 CD GLU A 54 8.413 -9.733 9.876 1.00 0.00 C ATOM 885 OE1 GLU A 54 8.591 -9.014 10.880 1.00 0.00 O ATOM 886 OE2 GLU A 54 9.090 -10.759 9.676 1.00 0.00 O ATOM 0 H GLU A 54 5.601 -6.949 8.106 1.00 0.00 H new ATOM 0 HA GLU A 54 7.510 -7.484 5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.748 -8.838 7.284 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.291 -7.475 8.285 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.517 -8.857 9.358 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.971 -10.220 8.354 1.00 0.00 H new ATOM 893 N VAL A 55 4.815 -9.131 6.599 1.00 0.00 N ATOM 894 CA VAL A 55 3.787 -9.937 5.918 1.00 0.00 C ATOM 895 C VAL A 55 3.601 -9.316 4.512 1.00 0.00 C ATOM 896 O VAL A 55 3.548 -10.025 3.510 1.00 0.00 O ATOM 897 CB VAL A 55 2.428 -10.016 6.710 1.00 0.00 C ATOM 898 CG1 VAL A 55 1.367 -10.835 5.937 1.00 0.00 C ATOM 899 CG2 VAL A 55 2.655 -10.622 8.113 1.00 0.00 C ATOM 0 H VAL A 55 4.486 -8.637 7.429 1.00 0.00 H new ATOM 0 HA VAL A 55 4.116 -10.974 5.852 1.00 0.00 H new ATOM 0 HB VAL A 55 2.050 -9.000 6.820 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.442 -10.868 6.513 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.176 -10.365 4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.734 -11.849 5.780 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.706 -10.669 8.647 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.066 -11.627 8.013 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.354 -9.998 8.670 1.00 0.00 H new ATOM 909 N HIS A 56 3.586 -7.960 4.494 1.00 0.00 N ATOM 910 CA HIS A 56 3.691 -7.190 3.224 1.00 0.00 C ATOM 911 C HIS A 56 5.159 -6.813 2.846 1.00 0.00 C ATOM 912 O HIS A 56 5.409 -5.700 2.368 1.00 0.00 O ATOM 913 CB HIS A 56 2.820 -5.910 3.326 1.00 0.00 C ATOM 914 CG HIS A 56 1.337 -6.163 3.400 1.00 0.00 C ATOM 915 ND1 HIS A 56 0.462 -5.803 2.399 1.00 0.00 N ATOM 916 CD2 HIS A 56 0.573 -6.709 4.376 1.00 0.00 C ATOM 917 CE1 HIS A 56 -0.764 -6.112 2.757 1.00 0.00 C ATOM 918 NE2 HIS A 56 -0.725 -6.662 3.949 1.00 0.00 N ATOM 0 H HIS A 56 3.504 -7.382 5.330 1.00 0.00 H new ATOM 0 HA HIS A 56 3.328 -7.838 2.426 1.00 0.00 H new ATOM 0 HB2 HIS A 56 3.124 -5.349 4.210 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.024 -5.278 2.462 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.924 -7.107 5.317 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.654 -5.942 2.170 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.533 -7.000 4.472 1.00 0.00 H new ATOM 927 N SER A 57 6.126 -7.737 3.030 1.00 0.00 N ATOM 928 CA SER A 57 7.525 -7.547 2.539 1.00 0.00 C ATOM 929 C SER A 57 8.044 -8.872 1.981 1.00 0.00 C ATOM 930 O SER A 57 8.496 -8.937 0.836 1.00 0.00 O ATOM 931 CB SER A 57 8.458 -7.018 3.647 1.00 0.00 C ATOM 932 OG SER A 57 9.767 -6.774 3.164 1.00 0.00 O ATOM 0 H SER A 57 5.973 -8.623 3.513 1.00 0.00 H new ATOM 0 HA SER A 57 7.515 -6.794 1.751 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.046 -6.097 4.060 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.501 -7.741 4.462 1.00 0.00 H new ATOM 0 HG SER A 57 10.328 -6.438 3.894 1.00 0.00 H new ATOM 938 N GLN A 58 7.969 -9.933 2.810 1.00 0.00 N ATOM 939 CA GLN A 58 8.171 -11.330 2.359 1.00 0.00 C ATOM 940 C GLN A 58 7.190 -11.621 1.209 1.00 0.00 C ATOM 941 O GLN A 58 7.525 -12.276 0.224 1.00 0.00 O ATOM 942 CB GLN A 58 7.906 -12.312 3.526 1.00 0.00 C ATOM 943 CG GLN A 58 8.744 -12.072 4.804 1.00 0.00 C ATOM 944 CD GLN A 58 8.217 -12.856 6.009 1.00 0.00 C ATOM 945 OE1 GLN A 58 7.680 -13.957 5.863 1.00 0.00 O ATOM 946 NE2 GLN A 58 8.320 -12.287 7.202 1.00 0.00 N ATOM 0 H GLN A 58 7.768 -9.849 3.806 1.00 0.00 H new ATOM 0 HA GLN A 58 9.199 -11.460 2.020 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.850 -12.258 3.790 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.095 -13.326 3.174 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.779 -12.357 4.614 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.744 -11.008 5.039 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.769 -11.376 7.295 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.951 -12.760 8.026 1.00 0.00 H new ATOM 955 N LYS A 59 5.959 -11.108 1.380 1.00 0.00 N ATOM 956 CA LYS A 59 4.919 -11.094 0.357 1.00 0.00 C ATOM 957 C LYS A 59 4.469 -9.633 0.207 1.00 0.00 C ATOM 958 O LYS A 59 3.465 -9.248 0.805 1.00 0.00 O ATOM 959 CB LYS A 59 3.708 -12.022 0.738 1.00 0.00 C ATOM 960 CG LYS A 59 4.032 -13.525 1.007 1.00 0.00 C ATOM 961 CD LYS A 59 4.638 -13.784 2.414 1.00 0.00 C ATOM 962 CE LYS A 59 4.929 -15.270 2.685 1.00 0.00 C ATOM 963 NZ LYS A 59 5.536 -15.476 4.029 1.00 0.00 N ATOM 0 H LYS A 59 5.661 -10.683 2.258 1.00 0.00 H new ATOM 0 HA LYS A 59 5.308 -11.485 -0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.233 -11.612 1.629 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.974 -11.971 -0.067 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.119 -14.111 0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.729 -13.880 0.248 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.562 -13.215 2.514 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.950 -13.411 3.173 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.004 -15.841 2.612 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.602 -15.655 1.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.036 -16.388 4.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.209 -14.708 4.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.788 -15.476 4.751 1.00 0.00 H new ATOM 977 N LEU A 60 5.270 -8.827 -0.550 1.00 0.00 N ATOM 978 CA LEU A 60 5.105 -7.330 -0.672 1.00 0.00 C ATOM 979 C LEU A 60 3.620 -6.923 -0.794 1.00 0.00 C ATOM 980 O LEU A 60 3.123 -6.070 -0.053 1.00 0.00 O ATOM 981 CB LEU A 60 5.949 -6.773 -1.876 1.00 0.00 C ATOM 982 CG LEU A 60 6.113 -5.191 -2.000 1.00 0.00 C ATOM 983 CD1 LEU A 60 7.366 -4.809 -2.823 1.00 0.00 C ATOM 984 CD2 LEU A 60 4.869 -4.497 -2.616 1.00 0.00 C ATOM 0 H LEU A 60 6.051 -9.189 -1.097 1.00 0.00 H new ATOM 0 HA LEU A 60 5.484 -6.882 0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.946 -7.210 -1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.497 -7.136 -2.799 1.00 0.00 H new ATOM 0 HG LEU A 60 6.227 -4.833 -0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.443 -3.724 -2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.256 -5.209 -2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.283 -5.225 -3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.043 -3.423 -2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.692 -4.890 -3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.997 -4.690 -1.991 1.00 0.00 H new ATOM 996 N SER A 61 2.953 -7.554 -1.749 1.00 0.00 N ATOM 997 CA SER A 61 1.499 -7.482 -1.942 1.00 0.00 C ATOM 998 C SER A 61 1.082 -8.750 -2.687 1.00 0.00 C ATOM 999 O SER A 61 1.949 -9.527 -3.084 1.00 0.00 O ATOM 1000 CB SER A 61 1.107 -6.205 -2.736 1.00 0.00 C ATOM 1001 OG SER A 61 -0.295 -6.110 -2.930 1.00 0.00 O ATOM 0 H SER A 61 3.416 -8.150 -2.435 1.00 0.00 H new ATOM 0 HA SER A 61 0.985 -7.419 -0.983 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.460 -5.323 -2.201 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.607 -6.212 -3.704 1.00 0.00 H new ATOM 0 HG SER A 61 -0.501 -5.294 -3.431 1.00 0.00 H new ATOM 1007 N LYS A 62 -0.229 -8.965 -2.874 1.00 0.00 N ATOM 1008 CA LYS A 62 -0.733 -10.154 -3.579 1.00 0.00 C ATOM 1009 C LYS A 62 -0.233 -10.140 -5.035 1.00 0.00 C ATOM 1010 O LYS A 62 0.636 -10.953 -5.417 1.00 0.00 O ATOM 1011 CB LYS A 62 -2.282 -10.211 -3.519 1.00 0.00 C ATOM 1012 CG LYS A 62 -2.862 -10.139 -2.089 1.00 0.00 C ATOM 1013 CD LYS A 62 -4.403 -10.267 -2.067 1.00 0.00 C ATOM 1014 CE LYS A 62 -5.125 -9.178 -2.883 1.00 0.00 C ATOM 1015 NZ LYS A 62 -6.600 -9.273 -2.734 1.00 0.00 N ATOM 0 H LYS A 62 -0.959 -8.332 -2.547 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.353 -11.050 -3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.688 -9.387 -4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.619 -11.134 -3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.426 -10.934 -1.483 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.573 -9.193 -1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.683 -11.246 -2.456 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.748 -10.224 -1.034 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.788 -8.194 -2.557 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.858 -9.273 -3.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.055 -8.525 -3.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.924 -10.203 -3.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.856 -9.157 -1.733 1.00 0.00 H new ATOM 1029 N GLU A 63 -0.785 -9.198 -5.836 1.00 0.00 N ATOM 1030 CA GLU A 63 -0.450 -9.006 -7.246 1.00 0.00 C ATOM 1031 C GLU A 63 1.054 -8.757 -7.428 1.00 0.00 C ATOM 1032 O GLU A 63 1.618 -9.320 -8.322 1.00 0.00 O ATOM 1033 CB GLU A 63 -1.254 -7.831 -7.874 1.00 0.00 C ATOM 1034 CG GLU A 63 -1.173 -7.755 -9.420 1.00 0.00 C ATOM 1035 CD GLU A 63 -1.634 -9.058 -10.116 1.00 0.00 C ATOM 1036 OE1 GLU A 63 -2.847 -9.357 -10.076 1.00 0.00 O ATOM 1037 OE2 GLU A 63 -0.791 -9.794 -10.689 1.00 0.00 O ATOM 0 H GLU A 63 -1.490 -8.541 -5.501 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.724 -9.925 -7.764 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.300 -7.925 -7.581 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.889 -6.893 -7.456 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.788 -6.926 -9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.146 -7.537 -9.714 1.00 0.00 H new ATOM 1044 N ALA A 64 1.682 -7.931 -6.553 1.00 0.00 N ATOM 1045 CA ALA A 64 3.125 -7.577 -6.660 1.00 0.00 C ATOM 1046 C ALA A 64 4.021 -8.827 -6.559 1.00 0.00 C ATOM 1047 O ALA A 64 4.803 -9.117 -7.471 1.00 0.00 O ATOM 1048 CB ALA A 64 3.514 -6.550 -5.582 1.00 0.00 C ATOM 0 H ALA A 64 1.210 -7.495 -5.761 1.00 0.00 H new ATOM 0 HA ALA A 64 3.283 -7.130 -7.642 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.572 -6.305 -5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.919 -5.646 -5.710 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.327 -6.971 -4.594 1.00 0.00 H new ATOM 1054 N GLN A 65 3.900 -9.535 -5.418 1.00 0.00 N ATOM 1055 CA GLN A 65 4.685 -10.769 -5.151 1.00 0.00 C ATOM 1056 C GLN A 65 4.509 -11.777 -6.324 1.00 0.00 C ATOM 1057 O GLN A 65 5.478 -12.441 -6.744 1.00 0.00 O ATOM 1058 CB GLN A 65 4.261 -11.380 -3.777 1.00 0.00 C ATOM 1059 CG GLN A 65 5.287 -12.305 -3.083 1.00 0.00 C ATOM 1060 CD GLN A 65 5.432 -13.694 -3.697 1.00 0.00 C ATOM 1061 OE1 GLN A 65 4.491 -14.250 -4.256 1.00 0.00 O ATOM 1062 NE2 GLN A 65 6.614 -14.260 -3.579 1.00 0.00 N ATOM 0 H GLN A 65 3.266 -9.277 -4.662 1.00 0.00 H new ATOM 0 HA GLN A 65 5.746 -10.526 -5.089 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.028 -10.560 -3.098 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.340 -11.944 -3.925 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.261 -11.816 -3.098 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.002 -12.416 -2.037 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.371 -13.766 -3.107 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.773 -15.193 -3.959 1.00 0.00 H new ATOM 1071 N LYS A 66 3.295 -11.825 -6.915 1.00 0.00 N ATOM 1072 CA LYS A 66 2.949 -12.571 -8.123 1.00 0.00 C ATOM 1073 C LYS A 66 3.657 -12.025 -9.384 1.00 0.00 C ATOM 1074 O LYS A 66 4.191 -12.817 -10.172 1.00 0.00 O ATOM 1075 CB LYS A 66 1.405 -12.551 -8.254 1.00 0.00 C ATOM 1076 CG LYS A 66 0.830 -13.116 -9.560 1.00 0.00 C ATOM 1077 CD LYS A 66 -0.717 -13.160 -9.537 1.00 0.00 C ATOM 1078 CE LYS A 66 -1.319 -13.526 -10.895 1.00 0.00 C ATOM 1079 NZ LYS A 66 -1.025 -12.487 -11.905 1.00 0.00 N ATOM 0 H LYS A 66 2.497 -11.316 -6.536 1.00 0.00 H new ATOM 0 HA LYS A 66 3.302 -13.598 -8.037 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.983 -13.114 -7.422 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.065 -11.521 -8.147 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.164 -12.504 -10.398 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.220 -14.121 -9.724 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.044 -13.885 -8.792 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.099 -12.188 -9.225 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.919 -14.484 -11.227 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.398 -13.648 -10.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.915 -12.144 -12.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.526 -11.695 -11.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.427 -12.890 -12.654 1.00 0.00 H new ATOM 1093 N LEU A 67 3.656 -10.687 -9.583 1.00 0.00 N ATOM 1094 CA LEU A 67 4.398 -10.010 -10.663 1.00 0.00 C ATOM 1095 C LEU A 67 5.885 -10.342 -10.631 1.00 0.00 C ATOM 1096 O LEU A 67 6.533 -10.374 -11.684 1.00 0.00 O ATOM 1097 CB LEU A 67 4.231 -8.456 -10.587 1.00 0.00 C ATOM 1098 CG LEU A 67 2.792 -7.875 -10.784 1.00 0.00 C ATOM 1099 CD1 LEU A 67 2.766 -6.344 -10.549 1.00 0.00 C ATOM 1100 CD2 LEU A 67 2.218 -8.215 -12.172 1.00 0.00 C ATOM 0 H LEU A 67 3.133 -10.043 -8.990 1.00 0.00 H new ATOM 0 HA LEU A 67 3.972 -10.378 -11.596 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.597 -8.125 -9.615 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.880 -8.010 -11.341 1.00 0.00 H new ATOM 0 HG LEU A 67 2.156 -8.350 -10.037 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.752 -5.971 -10.694 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.091 -6.126 -9.532 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.436 -5.856 -11.256 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.218 -7.792 -12.266 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.863 -7.796 -12.945 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.167 -9.297 -12.289 1.00 0.00 H new ATOM 1112 N MET A 68 6.437 -10.637 -9.443 1.00 0.00 N ATOM 1113 CA MET A 68 7.874 -10.843 -9.296 1.00 0.00 C ATOM 1114 C MET A 68 8.206 -12.308 -9.608 1.00 0.00 C ATOM 1115 O MET A 68 9.261 -12.592 -10.178 1.00 0.00 O ATOM 1116 CB MET A 68 8.303 -10.455 -7.863 1.00 0.00 C ATOM 1117 CG MET A 68 7.985 -8.997 -7.523 1.00 0.00 C ATOM 1118 SD MET A 68 8.475 -8.513 -5.861 1.00 0.00 S ATOM 1119 CE MET A 68 7.991 -6.786 -5.854 1.00 0.00 C ATOM 0 H MET A 68 5.906 -10.736 -8.578 1.00 0.00 H new ATOM 0 HA MET A 68 8.424 -10.212 -9.994 1.00 0.00 H new ATOM 0 HB2 MET A 68 7.801 -11.108 -7.149 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.374 -10.624 -7.751 1.00 0.00 H new ATOM 0 HG2 MET A 68 8.486 -8.349 -8.242 1.00 0.00 H new ATOM 0 HG3 MET A 68 6.914 -8.833 -7.638 1.00 0.00 H new ATOM 0 HE1 MET A 68 8.703 -6.211 -5.262 1.00 0.00 H new ATOM 0 HE2 MET A 68 7.979 -6.407 -6.876 1.00 0.00 H new ATOM 0 HE3 MET A 68 6.996 -6.689 -5.419 1.00 0.00 H new ATOM 1129 N LYS A 69 7.288 -13.239 -9.245 1.00 0.00 N ATOM 1130 CA LYS A 69 7.425 -14.677 -9.606 1.00 0.00 C ATOM 1131 C LYS A 69 6.805 -14.998 -10.999 1.00 0.00 C ATOM 1132 O LYS A 69 6.678 -16.179 -11.347 1.00 0.00 O ATOM 1133 CB LYS A 69 6.782 -15.580 -8.509 1.00 0.00 C ATOM 1134 CG LYS A 69 5.246 -15.472 -8.409 1.00 0.00 C ATOM 1135 CD LYS A 69 4.630 -16.409 -7.343 1.00 0.00 C ATOM 1136 CE LYS A 69 3.092 -16.322 -7.319 1.00 0.00 C ATOM 1137 NZ LYS A 69 2.488 -17.176 -6.271 1.00 0.00 N ATOM 0 H LYS A 69 6.449 -13.024 -8.706 1.00 0.00 H new ATOM 0 HA LYS A 69 8.492 -14.891 -9.667 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.048 -16.618 -8.709 1.00 0.00 H new ATOM 0 HB3 LYS A 69 7.215 -15.320 -7.543 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.976 -14.442 -8.175 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.809 -15.703 -9.381 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.932 -17.437 -7.545 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.023 -16.149 -6.360 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.793 -15.287 -7.155 1.00 0.00 H new ATOM 0 HE3 LYS A 69 2.700 -16.617 -8.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.453 -17.080 -6.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 2.748 -18.169 -6.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.838 -16.880 -5.338 1.00 0.00 H new ATOM 1151 N MET A 70 6.436 -13.951 -11.793 1.00 0.00 N ATOM 1152 CA MET A 70 5.864 -14.120 -13.163 1.00 0.00 C ATOM 1153 C MET A 70 6.792 -14.955 -14.075 1.00 0.00 C ATOM 1154 O MET A 70 8.011 -14.924 -13.894 1.00 0.00 O ATOM 1155 CB MET A 70 5.591 -12.732 -13.840 1.00 0.00 C ATOM 1156 CG MET A 70 4.203 -12.132 -13.578 1.00 0.00 C ATOM 1157 SD MET A 70 2.862 -13.124 -14.279 1.00 0.00 S ATOM 1158 CE MET A 70 1.477 -11.986 -14.185 1.00 0.00 C ATOM 0 H MET A 70 6.525 -12.976 -11.506 1.00 0.00 H new ATOM 0 HA MET A 70 4.921 -14.654 -13.041 1.00 0.00 H new ATOM 0 HB2 MET A 70 6.345 -12.024 -13.495 1.00 0.00 H new ATOM 0 HB3 MET A 70 5.724 -12.840 -14.916 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.052 -12.035 -12.503 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.162 -11.127 -13.998 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.596 -12.447 -14.632 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.272 -11.748 -13.141 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.721 -11.071 -14.724 1.00 0.00 H new ATOM 1168 N PRO A 71 6.227 -15.733 -15.054 1.00 0.00 N ATOM 1169 CA PRO A 71 7.041 -16.395 -16.086 1.00 0.00 C ATOM 1170 C PRO A 71 7.592 -15.391 -17.128 1.00 0.00 C ATOM 1171 O PRO A 71 8.805 -15.169 -17.186 1.00 0.00 O ATOM 1172 CB PRO A 71 6.069 -17.432 -16.710 1.00 0.00 C ATOM 1173 CG PRO A 71 4.704 -16.855 -16.488 1.00 0.00 C ATOM 1174 CD PRO A 71 4.783 -16.076 -15.190 1.00 0.00 C ATOM 0 HA PRO A 71 7.937 -16.863 -15.679 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.271 -17.575 -17.772 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.170 -18.407 -16.232 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.416 -16.206 -17.315 1.00 0.00 H new ATOM 0 HG3 PRO A 71 3.953 -17.643 -16.425 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.163 -15.180 -15.225 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.434 -16.672 -14.347 1.00 0.00 H new ATOM 1182 N PHE A 72 6.701 -14.789 -17.945 1.00 0.00 N ATOM 1183 CA PHE A 72 7.096 -14.002 -19.128 1.00 0.00 C ATOM 1184 C PHE A 72 7.010 -12.524 -18.729 1.00 0.00 C ATOM 1185 O PHE A 72 5.925 -12.064 -18.416 1.00 0.00 O ATOM 1186 CB PHE A 72 6.145 -14.298 -20.314 1.00 0.00 C ATOM 1187 CG PHE A 72 6.151 -15.759 -20.761 1.00 0.00 C ATOM 1188 CD1 PHE A 72 7.182 -16.262 -21.553 1.00 0.00 C ATOM 1189 CD2 PHE A 72 5.129 -16.632 -20.388 1.00 0.00 C ATOM 1190 CE1 PHE A 72 7.186 -17.581 -21.965 1.00 0.00 C ATOM 1191 CE2 PHE A 72 5.133 -17.951 -20.799 1.00 0.00 C ATOM 1192 CZ PHE A 72 6.164 -18.428 -21.585 1.00 0.00 C ATOM 0 H PHE A 72 5.692 -14.836 -17.802 1.00 0.00 H new ATOM 0 HA PHE A 72 8.106 -14.259 -19.447 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.130 -14.019 -20.032 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.426 -13.669 -21.158 1.00 0.00 H new ATOM 0 HD1 PHE A 72 7.991 -15.610 -21.849 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.322 -16.271 -19.768 1.00 0.00 H new ATOM 0 HE1 PHE A 72 7.990 -17.950 -22.585 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.329 -18.610 -20.505 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.171 -19.461 -21.901 1.00 0.00 H new ATOM 1202 N GLN A 73 8.129 -11.771 -18.721 1.00 0.00 N ATOM 1203 CA GLN A 73 8.150 -10.388 -18.175 1.00 0.00 C ATOM 1204 C GLN A 73 9.369 -9.605 -18.709 1.00 0.00 C ATOM 1205 O GLN A 73 10.304 -10.205 -19.256 1.00 0.00 O ATOM 1206 CB GLN A 73 8.137 -10.379 -16.608 1.00 0.00 C ATOM 1207 CG GLN A 73 9.458 -10.779 -15.901 1.00 0.00 C ATOM 1208 CD GLN A 73 9.856 -12.245 -16.110 1.00 0.00 C ATOM 1209 OE1 GLN A 73 10.563 -12.594 -17.055 1.00 0.00 O ATOM 1210 NE2 GLN A 73 9.401 -13.106 -15.226 1.00 0.00 N ATOM 0 H GLN A 73 9.028 -12.090 -19.083 1.00 0.00 H new ATOM 0 HA GLN A 73 7.240 -9.893 -18.515 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.862 -9.378 -16.275 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.351 -11.055 -16.270 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.262 -10.139 -16.265 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.359 -10.589 -14.832 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.817 -12.784 -14.454 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.632 -14.096 -15.312 1.00 0.00 H new ATOM 1219 N ARG A 74 9.360 -8.274 -18.465 1.00 0.00 N ATOM 1220 CA ARG A 74 10.432 -7.348 -18.931 1.00 0.00 C ATOM 1221 C ARG A 74 10.123 -5.901 -18.538 1.00 0.00 C ATOM 1222 O ARG A 74 9.206 -5.642 -17.777 1.00 0.00 O ATOM 1223 CB ARG A 74 10.620 -7.439 -20.486 1.00 0.00 C ATOM 1224 CG ARG A 74 9.391 -7.010 -21.319 1.00 0.00 C ATOM 1225 CD ARG A 74 9.629 -7.138 -22.827 1.00 0.00 C ATOM 1226 NE ARG A 74 8.464 -6.714 -23.633 1.00 0.00 N ATOM 1227 CZ ARG A 74 8.405 -6.750 -24.974 1.00 0.00 C ATOM 1228 NH1 ARG A 74 9.421 -7.220 -25.684 1.00 0.00 N ATOM 1229 NH2 ARG A 74 7.313 -6.336 -25.596 1.00 0.00 N ATOM 0 H ARG A 74 8.617 -7.809 -17.943 1.00 0.00 H new ATOM 0 HA ARG A 74 11.357 -7.656 -18.444 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.468 -6.817 -20.771 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.876 -8.466 -20.746 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.534 -7.621 -21.037 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.138 -5.977 -21.081 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.495 -6.537 -23.105 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.871 -8.174 -23.065 1.00 0.00 H new ATOM 0 HE ARG A 74 7.645 -6.369 -23.133 1.00 0.00 H new ATOM 0 HH11 ARG A 74 10.259 -7.559 -25.212 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.365 -7.242 -26.702 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.519 -5.991 -25.057 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.265 -6.362 -26.615 1.00 0.00 H new ATOM 1243 N ALA A 75 10.927 -4.968 -19.069 1.00 0.00 N ATOM 1244 CA ALA A 75 10.643 -3.525 -19.069 1.00 0.00 C ATOM 1245 C ALA A 75 10.522 -3.118 -20.539 1.00 0.00 C ATOM 1246 O ALA A 75 11.339 -3.575 -21.352 1.00 0.00 O ATOM 1247 CB ALA A 75 11.763 -2.757 -18.362 1.00 0.00 C ATOM 0 H ALA A 75 11.812 -5.200 -19.520 1.00 0.00 H new ATOM 0 HA ALA A 75 9.726 -3.293 -18.528 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.536 -1.691 -18.372 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.845 -3.101 -17.331 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.706 -2.931 -18.879 1.00 0.00 H new ATOM 1253 N ILE A 76 9.542 -2.285 -20.929 1.00 0.00 N ATOM 1254 CA ILE A 76 9.065 -2.125 -22.299 1.00 0.00 C ATOM 1255 C ILE A 76 9.825 -0.954 -22.970 1.00 0.00 C ATOM 1256 O ILE A 76 9.898 0.135 -22.391 1.00 0.00 O ATOM 1257 CB ILE A 76 7.526 -1.762 -22.256 1.00 0.00 C ATOM 1258 CG1 ILE A 76 6.698 -2.790 -21.406 1.00 0.00 C ATOM 1259 CG2 ILE A 76 6.940 -1.608 -23.669 1.00 0.00 C ATOM 1260 CD1 ILE A 76 6.741 -4.232 -21.901 1.00 0.00 C ATOM 0 H ILE A 76 9.047 -1.686 -20.269 1.00 0.00 H new ATOM 0 HA ILE A 76 9.228 -3.046 -22.859 1.00 0.00 H new ATOM 0 HB ILE A 76 7.447 -0.796 -21.757 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.064 -2.765 -20.379 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.659 -2.463 -21.382 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.881 -1.359 -23.599 1.00 0.00 H new ATOM 0 HG22 ILE A 76 7.466 -0.812 -24.196 1.00 0.00 H new ATOM 0 HG23 ILE A 76 7.057 -2.544 -24.215 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.138 -4.860 -21.245 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.345 -4.280 -22.915 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.771 -4.588 -21.897 1.00 0.00 H new ATOM 1272 N THR A 77 10.388 -1.190 -24.171 1.00 0.00 N ATOM 1273 CA THR A 77 11.067 -0.155 -24.991 1.00 0.00 C ATOM 1274 C THR A 77 10.065 0.902 -25.544 1.00 0.00 C ATOM 1275 O THR A 77 8.858 0.769 -25.355 1.00 0.00 O ATOM 1276 CB THR A 77 11.824 -0.840 -26.178 1.00 0.00 C ATOM 1277 OG1 THR A 77 10.883 -1.561 -26.993 1.00 0.00 O ATOM 1278 CG2 THR A 77 12.927 -1.799 -25.686 1.00 0.00 C ATOM 0 H THR A 77 10.387 -2.112 -24.608 1.00 0.00 H new ATOM 0 HA THR A 77 11.775 0.368 -24.348 1.00 0.00 H new ATOM 0 HB THR A 77 12.307 -0.056 -26.762 1.00 0.00 H new ATOM 0 HG1 THR A 77 11.355 -1.989 -27.737 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.425 -2.251 -26.544 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.655 -1.243 -25.095 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.481 -2.581 -25.071 1.00 0.00 H new ATOM 1286 N LYS A 78 10.562 1.869 -26.352 1.00 0.00 N ATOM 1287 CA LYS A 78 9.762 3.045 -26.815 1.00 0.00 C ATOM 1288 C LYS A 78 9.084 2.712 -28.164 1.00 0.00 C ATOM 1289 O LYS A 78 8.058 3.299 -28.548 1.00 0.00 O ATOM 1290 CB LYS A 78 10.670 4.289 -26.944 1.00 0.00 C ATOM 1291 CG LYS A 78 11.353 4.716 -25.624 1.00 0.00 C ATOM 1292 CD LYS A 78 12.247 5.986 -25.753 1.00 0.00 C ATOM 1293 CE LYS A 78 13.582 5.748 -26.492 1.00 0.00 C ATOM 1294 NZ LYS A 78 13.425 5.487 -27.946 1.00 0.00 N ATOM 0 H LYS A 78 11.520 1.863 -26.703 1.00 0.00 H new ATOM 0 HA LYS A 78 8.987 3.268 -26.082 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.439 4.087 -27.689 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.075 5.122 -27.318 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.585 4.900 -24.873 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.964 3.890 -25.260 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.687 6.759 -26.278 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.460 6.369 -24.755 1.00 0.00 H new ATOM 0 HE2 LYS A 78 14.222 6.620 -26.356 1.00 0.00 H new ATOM 0 HE3 LYS A 78 14.094 4.902 -26.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.159 6.003 -28.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.520 4.467 -28.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.486 5.808 -28.257 1.00 0.00 H new ATOM 1308 N LYS A 79 9.690 1.708 -28.815 1.00 0.00 N ATOM 1309 CA LYS A 79 9.157 1.114 -30.043 1.00 0.00 C ATOM 1310 C LYS A 79 7.836 0.417 -29.720 1.00 0.00 C ATOM 1311 O LYS A 79 6.855 0.555 -30.456 1.00 0.00 O ATOM 1312 CB LYS A 79 10.163 0.160 -30.744 1.00 0.00 C ATOM 1313 CG LYS A 79 11.196 0.902 -31.628 1.00 0.00 C ATOM 1314 CD LYS A 79 11.973 -0.043 -32.564 1.00 0.00 C ATOM 1315 CE LYS A 79 12.819 0.733 -33.588 1.00 0.00 C ATOM 1316 NZ LYS A 79 13.580 -0.168 -34.492 1.00 0.00 N ATOM 0 H LYS A 79 10.565 1.287 -28.502 1.00 0.00 H new ATOM 0 HA LYS A 79 8.980 1.913 -30.763 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.692 -0.419 -29.987 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.611 -0.550 -31.360 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.681 1.655 -32.225 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.901 1.431 -30.987 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.622 -0.688 -31.972 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.272 -0.691 -33.089 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.168 1.374 -34.182 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.514 1.386 -33.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.134 0.401 -35.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.222 -0.762 -33.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.917 -0.774 -35.016 1.00 0.00 H new ATOM 1330 N GLU A 80 7.813 -0.310 -28.591 1.00 0.00 N ATOM 1331 CA GLU A 80 6.628 -1.010 -28.103 1.00 0.00 C ATOM 1332 C GLU A 80 5.653 -0.003 -27.442 1.00 0.00 C ATOM 1333 O GLU A 80 4.436 -0.200 -27.476 1.00 0.00 O ATOM 1334 CB GLU A 80 7.062 -2.092 -27.093 1.00 0.00 C ATOM 1335 CG GLU A 80 7.829 -3.280 -27.693 1.00 0.00 C ATOM 1336 CD GLU A 80 6.958 -4.153 -28.616 1.00 0.00 C ATOM 1337 OE1 GLU A 80 6.898 -3.884 -29.834 1.00 0.00 O ATOM 1338 OE2 GLU A 80 6.334 -5.113 -28.124 1.00 0.00 O ATOM 0 H GLU A 80 8.629 -0.425 -27.990 1.00 0.00 H new ATOM 0 HA GLU A 80 6.111 -1.487 -28.936 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.686 -1.625 -26.331 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.174 -2.472 -26.588 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.684 -2.906 -28.256 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.224 -3.896 -26.885 1.00 0.00 H new ATOM 1345 N GLN A 81 6.216 1.105 -26.891 1.00 0.00 N ATOM 1346 CA GLN A 81 5.396 2.188 -26.295 1.00 0.00 C ATOM 1347 C GLN A 81 4.549 2.977 -27.290 1.00 0.00 C ATOM 1348 O GLN A 81 3.472 3.450 -26.899 1.00 0.00 O ATOM 1349 CB GLN A 81 6.286 3.160 -25.455 1.00 0.00 C ATOM 1350 CG GLN A 81 6.747 2.599 -24.084 1.00 0.00 C ATOM 1351 CD GLN A 81 7.896 3.391 -23.433 1.00 0.00 C ATOM 1352 OE1 GLN A 81 8.058 4.589 -23.659 1.00 0.00 O ATOM 1353 NE2 GLN A 81 8.700 2.726 -22.620 1.00 0.00 N ATOM 0 H GLN A 81 7.222 1.269 -26.848 1.00 0.00 H new ATOM 0 HA GLN A 81 4.684 1.675 -25.648 1.00 0.00 H new ATOM 0 HB2 GLN A 81 7.168 3.420 -26.040 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.732 4.083 -25.286 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.896 2.589 -23.403 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.062 1.564 -24.215 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.544 1.733 -22.449 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.476 3.207 -22.164 1.00 0.00 H new ATOM 1362 N ALA A 82 5.019 3.164 -28.542 1.00 0.00 N ATOM 1363 CA ALA A 82 4.293 3.955 -29.566 1.00 0.00 C ATOM 1364 C ALA A 82 2.826 3.511 -29.754 1.00 0.00 C ATOM 1365 O ALA A 82 1.943 4.355 -29.931 1.00 0.00 O ATOM 1366 CB ALA A 82 5.059 3.877 -30.900 1.00 0.00 C ATOM 0 H ALA A 82 5.903 2.776 -28.872 1.00 0.00 H new ATOM 0 HA ALA A 82 4.250 4.986 -29.214 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.531 4.456 -31.657 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.062 4.282 -30.768 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.127 2.837 -31.220 1.00 0.00 H new ATOM 1372 N ASP A 83 2.578 2.186 -29.696 1.00 0.00 N ATOM 1373 CA ASP A 83 1.223 1.606 -29.833 1.00 0.00 C ATOM 1374 C ASP A 83 1.019 0.506 -28.771 1.00 0.00 C ATOM 1375 O ASP A 83 1.501 -0.620 -28.943 1.00 0.00 O ATOM 1376 CB ASP A 83 1.006 1.021 -31.259 1.00 0.00 C ATOM 1377 CG ASP A 83 1.178 2.057 -32.381 1.00 0.00 C ATOM 1378 OD1 ASP A 83 0.277 2.903 -32.559 1.00 0.00 O ATOM 1379 OD2 ASP A 83 2.212 2.032 -33.084 1.00 0.00 O ATOM 0 H ASP A 83 3.308 1.489 -29.553 1.00 0.00 H new ATOM 0 HA ASP A 83 0.491 2.399 -29.679 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.710 0.204 -31.419 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.005 0.595 -31.319 1.00 0.00 H new ATOM 1384 N MET A 84 0.343 0.865 -27.654 1.00 0.00 N ATOM 1385 CA MET A 84 0.077 -0.043 -26.515 1.00 0.00 C ATOM 1386 C MET A 84 -0.739 -1.291 -26.912 1.00 0.00 C ATOM 1387 O MET A 84 -0.431 -2.374 -26.432 1.00 0.00 O ATOM 1388 CB MET A 84 -0.590 0.731 -25.337 1.00 0.00 C ATOM 1389 CG MET A 84 0.427 1.490 -24.474 1.00 0.00 C ATOM 1390 SD MET A 84 1.582 0.353 -23.670 1.00 0.00 S ATOM 1391 CE MET A 84 2.928 1.427 -23.177 1.00 0.00 C ATOM 0 H MET A 84 -0.036 1.802 -27.518 1.00 0.00 H new ATOM 0 HA MET A 84 1.044 -0.417 -26.178 1.00 0.00 H new ATOM 0 HB2 MET A 84 -1.318 1.436 -25.738 1.00 0.00 H new ATOM 0 HB3 MET A 84 -1.139 0.028 -24.710 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.980 2.195 -25.095 1.00 0.00 H new ATOM 0 HG3 MET A 84 -0.098 2.074 -23.718 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.820 0.830 -22.989 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.132 2.143 -23.973 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.652 1.963 -22.269 1.00 0.00 H new ATOM 1401 N GLY A 85 -1.794 -1.139 -27.745 1.00 0.00 N ATOM 1402 CA GLY A 85 -2.450 -2.299 -28.390 1.00 0.00 C ATOM 1403 C GLY A 85 -1.485 -3.286 -29.041 1.00 0.00 C ATOM 1404 O GLY A 85 -1.321 -4.388 -28.545 1.00 0.00 O ATOM 0 H GLY A 85 -2.205 -0.237 -27.984 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.043 -2.828 -27.643 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.144 -1.934 -29.148 1.00 0.00 H new ATOM 1408 N LYS A 86 -0.879 -2.840 -30.153 1.00 0.00 N ATOM 1409 CA LYS A 86 0.251 -3.544 -30.841 1.00 0.00 C ATOM 1410 C LYS A 86 1.226 -4.233 -29.838 1.00 0.00 C ATOM 1411 O LYS A 86 1.580 -5.406 -30.004 1.00 0.00 O ATOM 1412 CB LYS A 86 0.990 -2.529 -31.764 1.00 0.00 C ATOM 1413 CG LYS A 86 2.110 -3.087 -32.691 1.00 0.00 C ATOM 1414 CD LYS A 86 3.513 -3.131 -32.040 1.00 0.00 C ATOM 1415 CE LYS A 86 4.027 -1.743 -31.631 1.00 0.00 C ATOM 1416 NZ LYS A 86 5.415 -1.802 -31.122 1.00 0.00 N ATOM 0 H LYS A 86 -1.152 -1.973 -30.616 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.160 -4.351 -31.447 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.245 -2.041 -32.392 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.429 -1.757 -31.132 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.837 -4.094 -33.006 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.159 -2.474 -33.591 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.480 -3.774 -31.160 1.00 0.00 H new ATOM 0 HD3 LYS A 86 4.218 -3.582 -32.738 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.982 -1.071 -32.488 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.375 -1.325 -30.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.687 -0.871 -30.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.477 -2.513 -30.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.058 -2.064 -31.896 1.00 0.00 H new ATOM 1430 N LEU A 87 1.618 -3.431 -28.829 1.00 0.00 N ATOM 1431 CA LEU A 87 2.525 -3.966 -27.777 1.00 0.00 C ATOM 1432 C LEU A 87 1.855 -5.210 -27.098 1.00 0.00 C ATOM 1433 O LEU A 87 2.377 -6.329 -27.174 1.00 0.00 O ATOM 1434 CB LEU A 87 2.863 -2.887 -26.700 1.00 0.00 C ATOM 1435 CG LEU A 87 3.309 -3.409 -25.280 1.00 0.00 C ATOM 1436 CD1 LEU A 87 4.596 -4.269 -25.313 1.00 0.00 C ATOM 1437 CD2 LEU A 87 3.451 -2.251 -24.285 1.00 0.00 C ATOM 0 H LEU A 87 1.341 -2.456 -28.714 1.00 0.00 H new ATOM 0 HA LEU A 87 3.461 -4.259 -28.252 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.658 -2.253 -27.093 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.986 -2.253 -26.568 1.00 0.00 H new ATOM 0 HG LEU A 87 2.511 -4.069 -24.941 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.843 -4.593 -24.302 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.434 -5.142 -25.945 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.418 -3.678 -25.716 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.759 -2.641 -23.315 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.201 -1.548 -24.649 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.494 -1.740 -24.183 1.00 0.00 H new ATOM 1449 N LYS A 88 0.671 -4.995 -26.485 1.00 0.00 N ATOM 1450 CA LYS A 88 0.058 -5.921 -25.513 1.00 0.00 C ATOM 1451 C LYS A 88 -0.801 -6.996 -26.225 1.00 0.00 C ATOM 1452 O LYS A 88 -1.289 -7.926 -25.576 1.00 0.00 O ATOM 1453 CB LYS A 88 -0.873 -5.109 -24.586 1.00 0.00 C ATOM 1454 CG LYS A 88 -0.201 -3.984 -23.777 1.00 0.00 C ATOM 1455 CD LYS A 88 -1.234 -3.107 -23.030 1.00 0.00 C ATOM 1456 CE LYS A 88 -0.590 -1.920 -22.307 1.00 0.00 C ATOM 1457 NZ LYS A 88 -1.596 -1.068 -21.627 1.00 0.00 N ATOM 0 H LYS A 88 0.108 -4.162 -26.655 1.00 0.00 H new ATOM 0 HA LYS A 88 0.855 -6.414 -24.957 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.666 -4.671 -25.193 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.350 -5.797 -23.888 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.492 -4.420 -23.057 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.388 -3.358 -24.447 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.972 -2.737 -23.742 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.770 -3.721 -22.306 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.127 -2.289 -21.574 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.032 -1.319 -23.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.117 -0.277 -21.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.266 -0.694 -22.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.112 -1.634 -20.923 1.00 0.00 H new ATOM 1471 N LYS A 89 -0.974 -6.857 -27.573 1.00 0.00 N ATOM 1472 CA LYS A 89 -1.911 -7.744 -28.334 1.00 0.00 C ATOM 1473 C LYS A 89 -1.202 -9.091 -28.610 1.00 0.00 C ATOM 1474 O LYS A 89 -1.811 -10.047 -29.077 1.00 0.00 O ATOM 1475 CB LYS A 89 -2.362 -7.107 -29.685 1.00 0.00 C ATOM 1476 CG LYS A 89 -1.279 -7.100 -30.795 1.00 0.00 C ATOM 1477 CD LYS A 89 -1.830 -6.663 -32.172 1.00 0.00 C ATOM 1478 CE LYS A 89 -0.823 -6.903 -33.305 1.00 0.00 C ATOM 1479 NZ LYS A 89 0.398 -6.077 -33.163 1.00 0.00 N ATOM 0 H LYS A 89 -0.493 -6.161 -28.143 1.00 0.00 H new ATOM 0 HA LYS A 89 -2.806 -7.890 -27.730 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -3.235 -7.648 -30.052 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -2.678 -6.081 -29.499 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -0.471 -6.429 -30.503 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -0.849 -8.098 -30.882 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -2.749 -7.210 -32.383 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -2.090 -5.605 -32.138 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.545 -7.957 -33.322 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.298 -6.683 -34.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.119 -6.405 -33.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.168 -5.082 -33.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 0.765 -6.164 -32.194 1.00 0.00 H new ATOM 1493 N SER A 90 0.088 -9.124 -28.242 1.00 0.00 N ATOM 1494 CA SER A 90 0.937 -10.308 -28.333 1.00 0.00 C ATOM 1495 C SER A 90 0.775 -11.152 -27.063 1.00 0.00 C ATOM 1496 O SER A 90 1.104 -12.339 -27.034 1.00 0.00 O ATOM 1497 CB SER A 90 2.390 -9.843 -28.514 1.00 0.00 C ATOM 1498 OG SER A 90 2.503 -8.972 -29.628 1.00 0.00 O ATOM 0 H SER A 90 0.574 -8.309 -27.866 1.00 0.00 H new ATOM 0 HA SER A 90 0.653 -10.928 -29.183 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.729 -9.334 -27.612 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.039 -10.707 -28.655 1.00 0.00 H new ATOM 0 HG SER A 90 3.435 -8.685 -29.726 1.00 0.00 H new ATOM 1504 N VAL A 91 0.203 -10.514 -26.037 1.00 0.00 N ATOM 1505 CA VAL A 91 0.024 -11.089 -24.712 1.00 0.00 C ATOM 1506 C VAL A 91 -1.448 -11.475 -24.478 1.00 0.00 C ATOM 1507 O VAL A 91 -1.715 -12.364 -23.669 1.00 0.00 O ATOM 1508 CB VAL A 91 0.440 -10.046 -23.612 1.00 0.00 C ATOM 1509 CG1 VAL A 91 0.681 -10.736 -22.268 1.00 0.00 C ATOM 1510 CG2 VAL A 91 1.674 -9.224 -24.034 1.00 0.00 C ATOM 0 H VAL A 91 -0.155 -9.562 -26.113 1.00 0.00 H new ATOM 0 HA VAL A 91 0.650 -11.979 -24.647 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.391 -9.350 -23.498 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.968 -9.993 -21.524 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.232 -11.237 -21.947 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.480 -11.470 -22.374 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.927 -8.516 -23.245 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.517 -9.894 -24.204 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.452 -8.680 -24.952 1.00 0.00 H new ATOM 1520 N ARG A 92 -2.374 -10.718 -25.151 1.00 0.00 N ATOM 1521 CA ARG A 92 -3.847 -10.730 -24.942 1.00 0.00 C ATOM 1522 C ARG A 92 -4.211 -9.789 -23.775 1.00 0.00 C ATOM 1523 O ARG A 92 -5.094 -8.935 -23.913 1.00 0.00 O ATOM 1524 CB ARG A 92 -4.412 -12.172 -24.724 1.00 0.00 C ATOM 1525 CG ARG A 92 -5.904 -12.269 -24.283 1.00 0.00 C ATOM 1526 CD ARG A 92 -6.121 -13.254 -23.106 1.00 0.00 C ATOM 1527 NE ARG A 92 -5.526 -12.749 -21.839 1.00 0.00 N ATOM 1528 CZ ARG A 92 -4.334 -13.107 -21.321 1.00 0.00 C ATOM 1529 NH1 ARG A 92 -3.566 -13.995 -21.922 1.00 0.00 N ATOM 1530 NH2 ARG A 92 -3.914 -12.564 -20.195 1.00 0.00 N ATOM 0 H ARG A 92 -2.095 -10.061 -25.880 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.321 -10.364 -25.853 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.293 -12.730 -25.652 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -3.800 -12.669 -23.972 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -6.257 -11.280 -23.992 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.509 -12.586 -25.132 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -7.189 -13.420 -22.964 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.679 -14.219 -23.355 1.00 0.00 H new ATOM 0 HE ARG A 92 -6.072 -12.067 -21.312 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -3.871 -14.425 -22.796 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -2.667 -14.252 -21.513 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.491 -11.873 -19.716 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -3.012 -12.835 -19.803 1.00 0.00 H new ATOM 1544 N GLY A 93 -3.515 -9.950 -22.636 1.00 0.00 N ATOM 1545 CA GLY A 93 -3.701 -9.092 -21.469 1.00 0.00 C ATOM 1546 C GLY A 93 -2.436 -9.000 -20.643 1.00 0.00 C ATOM 1547 O GLY A 93 -2.193 -9.870 -19.796 1.00 0.00 O ATOM 0 H GLY A 93 -2.812 -10.678 -22.506 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.999 -8.095 -21.793 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.511 -9.483 -20.854 1.00 0.00 H new ATOM 1551 N LEU A 94 -1.587 -7.998 -20.917 1.00 0.00 N ATOM 1552 CA LEU A 94 -0.346 -7.706 -20.162 1.00 0.00 C ATOM 1553 C LEU A 94 -0.616 -6.805 -18.935 1.00 0.00 C ATOM 1554 O LEU A 94 -1.698 -6.219 -18.801 1.00 0.00 O ATOM 1555 CB LEU A 94 0.592 -7.018 -21.220 1.00 0.00 C ATOM 1556 CG LEU A 94 1.965 -6.408 -20.796 1.00 0.00 C ATOM 1557 CD1 LEU A 94 2.897 -7.461 -20.215 1.00 0.00 C ATOM 1558 CD2 LEU A 94 2.643 -5.687 -21.986 1.00 0.00 C ATOM 0 H LEU A 94 -1.743 -7.349 -21.688 1.00 0.00 H new ATOM 0 HA LEU A 94 0.107 -8.603 -19.739 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.796 -7.757 -21.995 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.016 -6.218 -21.686 1.00 0.00 H new ATOM 0 HG LEU A 94 1.762 -5.676 -20.014 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.841 -6.995 -19.933 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.436 -7.909 -19.335 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.082 -8.234 -20.961 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.598 -5.271 -21.663 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.812 -6.399 -22.794 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.998 -4.883 -22.340 1.00 0.00 H new ATOM 1570 N VAL A 95 0.396 -6.695 -18.052 1.00 0.00 N ATOM 1571 CA VAL A 95 0.427 -5.802 -16.875 1.00 0.00 C ATOM 1572 C VAL A 95 1.569 -4.808 -17.133 1.00 0.00 C ATOM 1573 O VAL A 95 2.643 -5.247 -17.513 1.00 0.00 O ATOM 1574 CB VAL A 95 0.703 -6.572 -15.530 1.00 0.00 C ATOM 1575 CG1 VAL A 95 0.695 -5.612 -14.313 1.00 0.00 C ATOM 1576 CG2 VAL A 95 -0.306 -7.722 -15.334 1.00 0.00 C ATOM 0 H VAL A 95 1.249 -7.248 -18.142 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.543 -5.320 -16.756 1.00 0.00 H new ATOM 0 HB VAL A 95 1.701 -7.006 -15.599 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.889 -6.178 -13.402 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.469 -4.855 -14.442 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.278 -5.127 -14.239 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.093 -8.237 -14.398 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.318 -7.317 -15.303 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.222 -8.425 -16.163 1.00 0.00 H new ATOM 1586 N VAL A 96 1.337 -3.491 -16.963 1.00 0.00 N ATOM 1587 CA VAL A 96 2.349 -2.429 -17.252 1.00 0.00 C ATOM 1588 C VAL A 96 2.385 -1.437 -16.066 1.00 0.00 C ATOM 1589 O VAL A 96 1.333 -0.951 -15.631 1.00 0.00 O ATOM 1590 CB VAL A 96 2.064 -1.650 -18.606 1.00 0.00 C ATOM 1591 CG1 VAL A 96 3.133 -0.562 -18.883 1.00 0.00 C ATOM 1592 CG2 VAL A 96 1.983 -2.617 -19.809 1.00 0.00 C ATOM 0 H VAL A 96 0.448 -3.124 -16.623 1.00 0.00 H new ATOM 0 HA VAL A 96 3.315 -2.918 -17.377 1.00 0.00 H new ATOM 0 HB VAL A 96 1.098 -1.160 -18.483 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.900 -0.053 -19.818 1.00 0.00 H new ATOM 0 HG12 VAL A 96 3.136 0.161 -18.068 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.115 -1.028 -18.958 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.787 -2.050 -20.719 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.928 -3.151 -19.911 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.177 -3.333 -19.647 1.00 0.00 H new ATOM 1602 N VAL A 97 3.592 -1.142 -15.537 1.00 0.00 N ATOM 1603 CA VAL A 97 3.812 -0.328 -14.321 1.00 0.00 C ATOM 1604 C VAL A 97 4.808 0.804 -14.664 1.00 0.00 C ATOM 1605 O VAL A 97 5.896 0.527 -15.178 1.00 0.00 O ATOM 1606 CB VAL A 97 4.399 -1.203 -13.143 1.00 0.00 C ATOM 1607 CG1 VAL A 97 4.477 -0.395 -11.824 1.00 0.00 C ATOM 1608 CG2 VAL A 97 3.607 -2.527 -12.935 1.00 0.00 C ATOM 0 H VAL A 97 4.463 -1.471 -15.954 1.00 0.00 H new ATOM 0 HA VAL A 97 2.857 0.082 -13.992 1.00 0.00 H new ATOM 0 HB VAL A 97 5.412 -1.478 -13.436 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.885 -1.026 -11.034 1.00 0.00 H new ATOM 0 HG12 VAL A 97 5.123 0.472 -11.966 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.478 -0.061 -11.542 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.050 -3.091 -12.115 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.569 -2.296 -12.697 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.647 -3.122 -13.848 1.00 0.00 H new ATOM 1618 N HIS A 98 4.443 2.067 -14.388 1.00 0.00 N ATOM 1619 CA HIS A 98 5.249 3.244 -14.776 1.00 0.00 C ATOM 1620 C HIS A 98 6.266 3.602 -13.638 1.00 0.00 C ATOM 1621 O HIS A 98 5.958 3.391 -12.458 1.00 0.00 O ATOM 1622 CB HIS A 98 4.294 4.429 -15.070 1.00 0.00 C ATOM 1623 CG HIS A 98 4.946 5.615 -15.728 1.00 0.00 C ATOM 1624 ND1 HIS A 98 5.512 6.632 -14.998 1.00 0.00 N ATOM 1625 CD2 HIS A 98 5.139 5.863 -17.044 1.00 0.00 C ATOM 1626 CE1 HIS A 98 6.032 7.459 -15.886 1.00 0.00 C ATOM 1627 NE2 HIS A 98 5.828 7.034 -17.131 1.00 0.00 N ATOM 0 H HIS A 98 3.584 2.304 -13.891 1.00 0.00 H new ATOM 0 HA HIS A 98 5.825 3.023 -15.674 1.00 0.00 H new ATOM 0 HB2 HIS A 98 3.485 4.076 -15.709 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.841 4.754 -14.133 1.00 0.00 H new ATOM 0 HD2 HIS A 98 4.809 5.249 -17.869 1.00 0.00 H new ATOM 0 HE1 HIS A 98 6.558 8.368 -15.634 1.00 0.00 H new ATOM 0 HE2 HIS A 98 6.131 7.498 -17.988 1.00 0.00 H new ATOM 1635 N PRO A 99 7.505 4.111 -13.972 1.00 0.00 N ATOM 1636 CA PRO A 99 8.499 4.558 -12.956 1.00 0.00 C ATOM 1637 C PRO A 99 7.975 5.675 -12.020 1.00 0.00 C ATOM 1638 O PRO A 99 8.094 5.574 -10.795 1.00 0.00 O ATOM 1639 CB PRO A 99 9.694 5.076 -13.814 1.00 0.00 C ATOM 1640 CG PRO A 99 9.130 5.292 -15.186 1.00 0.00 C ATOM 1641 CD PRO A 99 8.069 4.233 -15.346 1.00 0.00 C ATOM 0 HA PRO A 99 8.757 3.744 -12.278 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.100 6.001 -13.405 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.508 4.352 -13.833 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.707 6.292 -15.285 1.00 0.00 H new ATOM 0 HG3 PRO A 99 9.902 5.195 -15.949 1.00 0.00 H new ATOM 0 HD2 PRO A 99 7.309 4.529 -16.069 1.00 0.00 H new ATOM 0 HD3 PRO A 99 8.490 3.290 -15.694 1.00 0.00 H new ATOM 1649 N MET A 100 7.381 6.723 -12.625 1.00 0.00 N ATOM 1650 CA MET A 100 7.011 7.959 -11.892 1.00 0.00 C ATOM 1651 C MET A 100 5.646 7.841 -11.190 1.00 0.00 C ATOM 1652 O MET A 100 5.229 8.763 -10.487 1.00 0.00 O ATOM 1653 CB MET A 100 7.044 9.193 -12.826 1.00 0.00 C ATOM 1654 CG MET A 100 8.391 9.415 -13.534 1.00 0.00 C ATOM 1655 SD MET A 100 8.496 11.021 -14.363 1.00 0.00 S ATOM 1656 CE MET A 100 7.139 10.947 -15.540 1.00 0.00 C ATOM 0 H MET A 100 7.146 6.742 -13.617 1.00 0.00 H new ATOM 0 HA MET A 100 7.760 8.096 -11.112 1.00 0.00 H new ATOM 0 HB2 MET A 100 6.264 9.084 -13.580 1.00 0.00 H new ATOM 0 HB3 MET A 100 6.802 10.082 -12.243 1.00 0.00 H new ATOM 0 HG2 MET A 100 9.197 9.335 -12.804 1.00 0.00 H new ATOM 0 HG3 MET A 100 8.545 8.623 -14.267 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.021 11.918 -16.021 1.00 0.00 H new ATOM 0 HE2 MET A 100 7.354 10.191 -16.296 1.00 0.00 H new ATOM 0 HE3 MET A 100 6.218 10.687 -15.018 1.00 0.00 H new ATOM 1666 N THR A 101 4.956 6.713 -11.392 1.00 0.00 N ATOM 1667 CA THR A 101 3.791 6.336 -10.564 1.00 0.00 C ATOM 1668 C THR A 101 4.291 5.643 -9.287 1.00 0.00 C ATOM 1669 O THR A 101 5.324 4.963 -9.325 1.00 0.00 O ATOM 1670 CB THR A 101 2.798 5.395 -11.322 1.00 0.00 C ATOM 1671 OG1 THR A 101 3.451 4.181 -11.731 1.00 0.00 O ATOM 1672 CG2 THR A 101 2.188 6.080 -12.550 1.00 0.00 C ATOM 0 H THR A 101 5.181 6.039 -12.124 1.00 0.00 H new ATOM 0 HA THR A 101 3.244 7.247 -10.320 1.00 0.00 H new ATOM 0 HB THR A 101 1.995 5.158 -10.624 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.417 4.335 -11.795 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.504 5.393 -13.048 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.643 6.970 -12.237 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.982 6.365 -13.240 1.00 0.00 H new ATOM 1680 N ALA A 102 3.532 5.807 -8.186 1.00 0.00 N ATOM 1681 CA ALA A 102 3.935 5.381 -6.829 1.00 0.00 C ATOM 1682 C ALA A 102 4.373 3.905 -6.746 1.00 0.00 C ATOM 1683 O ALA A 102 5.334 3.602 -6.049 1.00 0.00 O ATOM 1684 CB ALA A 102 2.796 5.650 -5.832 1.00 0.00 C ATOM 0 H ALA A 102 2.611 6.244 -8.213 1.00 0.00 H new ATOM 0 HA ALA A 102 4.812 5.975 -6.570 1.00 0.00 H new ATOM 0 HB1 ALA A 102 3.102 5.333 -4.835 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.568 6.716 -5.819 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.909 5.092 -6.134 1.00 0.00 H new ATOM 1690 N LEU A 103 3.601 3.013 -7.401 1.00 0.00 N ATOM 1691 CA LEU A 103 3.846 1.544 -7.346 1.00 0.00 C ATOM 1692 C LEU A 103 5.306 1.232 -7.790 1.00 0.00 C ATOM 1693 O LEU A 103 6.020 0.506 -7.100 1.00 0.00 O ATOM 1694 CB LEU A 103 2.833 0.734 -8.209 1.00 0.00 C ATOM 1695 CG LEU A 103 2.907 -0.827 -8.058 1.00 0.00 C ATOM 1696 CD1 LEU A 103 2.680 -1.266 -6.587 1.00 0.00 C ATOM 1697 CD2 LEU A 103 1.909 -1.546 -9.007 1.00 0.00 C ATOM 0 H LEU A 103 2.801 3.278 -7.976 1.00 0.00 H new ATOM 0 HA LEU A 103 3.701 1.231 -6.312 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.824 1.058 -7.953 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.992 0.987 -9.257 1.00 0.00 H new ATOM 0 HG LEU A 103 3.914 -1.126 -8.348 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.738 -2.352 -6.518 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.446 -0.821 -5.952 1.00 0.00 H new ATOM 0 HD13 LEU A 103 1.696 -0.933 -6.256 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.991 -2.624 -8.872 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.893 -1.228 -8.775 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.142 -1.291 -10.041 1.00 0.00 H new ATOM 1709 N GLY A 104 5.755 1.839 -8.922 1.00 0.00 N ATOM 1710 CA GLY A 104 7.155 1.732 -9.376 1.00 0.00 C ATOM 1711 C GLY A 104 8.143 2.489 -8.484 1.00 0.00 C ATOM 1712 O GLY A 104 9.224 1.984 -8.177 1.00 0.00 O ATOM 0 H GLY A 104 5.163 2.405 -9.531 1.00 0.00 H new ATOM 0 HA2 GLY A 104 7.439 0.680 -9.409 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.229 2.114 -10.394 1.00 0.00 H new ATOM 1716 N ARG A 105 7.742 3.717 -8.107 1.00 0.00 N ATOM 1717 CA ARG A 105 8.473 4.562 -7.120 1.00 0.00 C ATOM 1718 C ARG A 105 8.826 3.768 -5.842 1.00 0.00 C ATOM 1719 O ARG A 105 9.851 4.034 -5.213 1.00 0.00 O ATOM 1720 CB ARG A 105 7.689 5.844 -6.719 1.00 0.00 C ATOM 1721 CG ARG A 105 7.577 6.921 -7.816 1.00 0.00 C ATOM 1722 CD ARG A 105 6.976 8.237 -7.272 1.00 0.00 C ATOM 1723 NE ARG A 105 6.942 9.309 -8.280 1.00 0.00 N ATOM 1724 CZ ARG A 105 7.978 10.105 -8.611 1.00 0.00 C ATOM 1725 NH1 ARG A 105 9.181 9.931 -8.067 1.00 0.00 N ATOM 1726 NH2 ARG A 105 7.803 11.078 -9.497 1.00 0.00 N ATOM 0 H ARG A 105 6.900 4.161 -8.474 1.00 0.00 H new ATOM 0 HA ARG A 105 9.389 4.868 -7.625 1.00 0.00 H new ATOM 0 HB2 ARG A 105 6.683 5.554 -6.414 1.00 0.00 H new ATOM 0 HB3 ARG A 105 8.171 6.286 -5.847 1.00 0.00 H new ATOM 0 HG2 ARG A 105 8.564 7.118 -8.233 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.956 6.547 -8.630 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.964 8.048 -6.915 1.00 0.00 H new ATOM 0 HD3 ARG A 105 7.560 8.570 -6.414 1.00 0.00 H new ATOM 0 HE ARG A 105 6.060 9.462 -8.769 1.00 0.00 H new ATOM 0 HH11 ARG A 105 9.330 9.185 -7.387 1.00 0.00 H new ATOM 0 HH12 ARG A 105 9.953 10.543 -8.330 1.00 0.00 H new ATOM 0 HH21 ARG A 105 6.888 11.220 -9.924 1.00 0.00 H new ATOM 0 HH22 ARG A 105 8.584 11.683 -9.751 1.00 0.00 H new ATOM 1740 N GLU A 106 7.953 2.818 -5.452 1.00 0.00 N ATOM 1741 CA GLU A 106 8.148 1.934 -4.293 1.00 0.00 C ATOM 1742 C GLU A 106 8.942 0.675 -4.684 1.00 0.00 C ATOM 1743 O GLU A 106 9.946 0.342 -4.048 1.00 0.00 O ATOM 1744 CB GLU A 106 6.755 1.531 -3.731 1.00 0.00 C ATOM 1745 CG GLU A 106 6.763 0.492 -2.591 1.00 0.00 C ATOM 1746 CD GLU A 106 7.526 0.952 -1.341 1.00 0.00 C ATOM 1747 OE1 GLU A 106 7.033 1.861 -0.643 1.00 0.00 O ATOM 1748 OE2 GLU A 106 8.598 0.392 -1.031 1.00 0.00 O ATOM 0 H GLU A 106 7.077 2.643 -5.945 1.00 0.00 H new ATOM 0 HA GLU A 106 8.720 2.466 -3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 106 6.255 2.431 -3.373 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.154 1.138 -4.551 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.734 0.262 -2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 106 7.208 -0.433 -2.958 1.00 0.00 H new ATOM 1755 N MET A 107 8.489 0.000 -5.767 1.00 0.00 N ATOM 1756 CA MET A 107 8.981 -1.362 -6.122 1.00 0.00 C ATOM 1757 C MET A 107 10.429 -1.263 -6.683 1.00 0.00 C ATOM 1758 O MET A 107 11.085 -2.284 -6.908 1.00 0.00 O ATOM 1759 CB MET A 107 8.031 -2.054 -7.158 1.00 0.00 C ATOM 1760 CG MET A 107 6.741 -2.680 -6.575 1.00 0.00 C ATOM 1761 SD MET A 107 5.597 -3.285 -7.847 1.00 0.00 S ATOM 1762 CE MET A 107 6.553 -4.549 -8.693 1.00 0.00 C ATOM 0 H MET A 107 7.788 0.369 -6.409 1.00 0.00 H new ATOM 0 HA MET A 107 8.988 -1.977 -5.222 1.00 0.00 H new ATOM 0 HB2 MET A 107 7.747 -1.318 -7.911 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.592 -2.835 -7.671 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.012 -3.506 -5.917 1.00 0.00 H new ATOM 0 HG3 MET A 107 6.231 -1.938 -5.961 1.00 0.00 H new ATOM 0 HE1 MET A 107 6.672 -4.275 -9.741 1.00 0.00 H new ATOM 0 HE2 MET A 107 7.534 -4.636 -8.227 1.00 0.00 H new ATOM 0 HE3 MET A 107 6.033 -5.505 -8.625 1.00 0.00 H new ATOM 1772 N GLY A 108 10.905 -0.013 -6.904 1.00 0.00 N ATOM 1773 CA GLY A 108 12.285 0.270 -7.310 1.00 0.00 C ATOM 1774 C GLY A 108 12.402 0.706 -8.761 1.00 0.00 C ATOM 1775 O GLY A 108 13.466 1.165 -9.179 1.00 0.00 O ATOM 0 H GLY A 108 10.332 0.825 -6.802 1.00 0.00 H new ATOM 0 HA2 GLY A 108 12.693 1.051 -6.668 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.893 -0.621 -7.154 1.00 0.00 H new ATOM 1779 N LEU A 109 11.300 0.586 -9.518 1.00 0.00 N ATOM 1780 CA LEU A 109 11.281 0.741 -10.982 1.00 0.00 C ATOM 1781 C LEU A 109 11.531 2.211 -11.408 1.00 0.00 C ATOM 1782 O LEU A 109 10.772 3.100 -11.027 1.00 0.00 O ATOM 1783 CB LEU A 109 9.912 0.243 -11.532 1.00 0.00 C ATOM 1784 CG LEU A 109 9.396 -1.119 -10.951 1.00 0.00 C ATOM 1785 CD1 LEU A 109 8.027 -1.503 -11.546 1.00 0.00 C ATOM 1786 CD2 LEU A 109 10.426 -2.260 -11.146 1.00 0.00 C ATOM 0 H LEU A 109 10.383 0.375 -9.125 1.00 0.00 H new ATOM 0 HA LEU A 109 12.089 0.142 -11.402 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.162 1.008 -11.333 1.00 0.00 H new ATOM 0 HB3 LEU A 109 9.990 0.148 -12.615 1.00 0.00 H new ATOM 0 HG LEU A 109 9.268 -0.977 -9.878 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.699 -2.452 -11.122 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.297 -0.728 -11.310 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.115 -1.601 -12.628 1.00 0.00 H new ATOM 0 HD21 LEU A 109 10.028 -3.185 -10.729 1.00 0.00 H new ATOM 0 HD22 LEU A 109 10.621 -2.396 -12.210 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.355 -2.003 -10.637 1.00 0.00 H new ATOM 1798 N GLU A 110 12.614 2.440 -12.178 1.00 0.00 N ATOM 1799 CA GLU A 110 12.937 3.754 -12.803 1.00 0.00 C ATOM 1800 C GLU A 110 12.816 3.653 -14.350 1.00 0.00 C ATOM 1801 O GLU A 110 13.213 4.557 -15.095 1.00 0.00 O ATOM 1802 CB GLU A 110 14.350 4.202 -12.389 1.00 0.00 C ATOM 1803 CG GLU A 110 15.477 3.282 -12.889 1.00 0.00 C ATOM 1804 CD GLU A 110 16.860 3.712 -12.375 1.00 0.00 C ATOM 1805 OE1 GLU A 110 17.195 3.399 -11.215 1.00 0.00 O ATOM 1806 OE2 GLU A 110 17.596 4.396 -13.116 1.00 0.00 O ATOM 0 H GLU A 110 13.300 1.716 -12.390 1.00 0.00 H new ATOM 0 HA GLU A 110 12.225 4.502 -12.453 1.00 0.00 H new ATOM 0 HB2 GLU A 110 14.525 5.209 -12.767 1.00 0.00 H new ATOM 0 HB3 GLU A 110 14.397 4.257 -11.301 1.00 0.00 H new ATOM 0 HG2 GLU A 110 15.276 2.260 -12.569 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.483 3.279 -13.979 1.00 0.00 H new ATOM 1813 N GLU A 111 12.215 2.540 -14.770 1.00 0.00 N ATOM 1814 CA GLU A 111 11.919 2.252 -16.187 1.00 0.00 C ATOM 1815 C GLU A 111 10.535 1.611 -16.290 1.00 0.00 C ATOM 1816 O GLU A 111 10.109 0.921 -15.348 1.00 0.00 O ATOM 1817 CB GLU A 111 13.013 1.331 -16.808 1.00 0.00 C ATOM 1818 CG GLU A 111 13.172 -0.082 -16.180 1.00 0.00 C ATOM 1819 CD GLU A 111 13.689 -0.082 -14.720 1.00 0.00 C ATOM 1820 OE1 GLU A 111 14.907 0.096 -14.513 1.00 0.00 O ATOM 1821 OE2 GLU A 111 12.884 -0.263 -13.780 1.00 0.00 O ATOM 0 H GLU A 111 11.914 1.801 -14.135 1.00 0.00 H new ATOM 0 HA GLU A 111 11.923 3.184 -16.752 1.00 0.00 H new ATOM 0 HB2 GLU A 111 12.794 1.210 -17.869 1.00 0.00 H new ATOM 0 HB3 GLU A 111 13.972 1.845 -16.737 1.00 0.00 H new ATOM 0 HG2 GLU A 111 12.208 -0.590 -16.211 1.00 0.00 H new ATOM 0 HG3 GLU A 111 13.858 -0.664 -16.795 1.00 0.00 H new ATOM 1828 N MET A 112 9.790 1.907 -17.387 1.00 0.00 N ATOM 1829 CA MET A 112 8.464 1.318 -17.621 1.00 0.00 C ATOM 1830 C MET A 112 8.586 -0.205 -17.725 1.00 0.00 C ATOM 1831 O MET A 112 9.297 -0.716 -18.568 1.00 0.00 O ATOM 1832 CB MET A 112 7.785 1.878 -18.903 1.00 0.00 C ATOM 1833 CG MET A 112 6.510 1.110 -19.321 1.00 0.00 C ATOM 1834 SD MET A 112 5.489 1.987 -20.518 1.00 0.00 S ATOM 1835 CE MET A 112 4.607 3.116 -19.443 1.00 0.00 C ATOM 0 H MET A 112 10.093 2.551 -18.118 1.00 0.00 H new ATOM 0 HA MET A 112 7.834 1.588 -16.774 1.00 0.00 H new ATOM 0 HB2 MET A 112 7.530 2.925 -18.740 1.00 0.00 H new ATOM 0 HB3 MET A 112 8.501 1.849 -19.724 1.00 0.00 H new ATOM 0 HG2 MET A 112 6.799 0.147 -19.741 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.914 0.904 -18.432 1.00 0.00 H new ATOM 0 HE1 MET A 112 3.540 2.898 -19.484 1.00 0.00 H new ATOM 0 HE2 MET A 112 4.963 2.997 -18.420 1.00 0.00 H new ATOM 0 HE3 MET A 112 4.781 4.141 -19.770 1.00 0.00 H new ATOM 1845 N THR A 113 7.890 -0.869 -16.827 1.00 0.00 N ATOM 1846 CA THR A 113 7.948 -2.323 -16.674 1.00 0.00 C ATOM 1847 C THR A 113 6.662 -2.990 -17.184 1.00 0.00 C ATOM 1848 O THR A 113 5.607 -2.366 -17.183 1.00 0.00 O ATOM 1849 CB THR A 113 8.216 -2.682 -15.180 1.00 0.00 C ATOM 1850 OG1 THR A 113 9.289 -1.866 -14.670 1.00 0.00 O ATOM 1851 CG2 THR A 113 8.603 -4.157 -14.997 1.00 0.00 C ATOM 0 H THR A 113 7.256 -0.415 -16.169 1.00 0.00 H new ATOM 0 HA THR A 113 8.769 -2.706 -17.281 1.00 0.00 H new ATOM 0 HB THR A 113 7.290 -2.498 -14.635 1.00 0.00 H new ATOM 0 HG1 THR A 113 10.023 -2.441 -14.369 1.00 0.00 H new ATOM 0 HG21 THR A 113 8.780 -4.358 -13.940 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.794 -4.793 -15.357 1.00 0.00 H new ATOM 0 HG23 THR A 113 9.510 -4.368 -15.563 1.00 0.00 H new ATOM 1859 N GLY A 114 6.767 -4.236 -17.685 1.00 0.00 N ATOM 1860 CA GLY A 114 5.592 -5.095 -17.849 1.00 0.00 C ATOM 1861 C GLY A 114 5.793 -6.506 -17.320 1.00 0.00 C ATOM 1862 O GLY A 114 6.926 -6.910 -17.034 1.00 0.00 O ATOM 0 H GLY A 114 7.646 -4.661 -17.979 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.745 -4.640 -17.335 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.334 -5.146 -18.907 1.00 0.00 H new ATOM 1866 N PHE A 115 4.695 -7.293 -17.261 1.00 0.00 N ATOM 1867 CA PHE A 115 4.662 -8.633 -16.642 1.00 0.00 C ATOM 1868 C PHE A 115 3.461 -9.397 -17.224 1.00 0.00 C ATOM 1869 O PHE A 115 2.388 -8.782 -17.390 1.00 0.00 O ATOM 1870 CB PHE A 115 4.425 -8.565 -15.105 1.00 0.00 C ATOM 1871 CG PHE A 115 5.423 -7.761 -14.280 1.00 0.00 C ATOM 1872 CD1 PHE A 115 6.654 -8.297 -13.927 1.00 0.00 C ATOM 1873 CD2 PHE A 115 5.104 -6.477 -13.824 1.00 0.00 C ATOM 1874 CE1 PHE A 115 7.541 -7.584 -13.146 1.00 0.00 C ATOM 1875 CE2 PHE A 115 5.987 -5.768 -13.035 1.00 0.00 C ATOM 1876 CZ PHE A 115 7.207 -6.322 -12.695 1.00 0.00 C ATOM 0 H PHE A 115 3.795 -7.009 -17.648 1.00 0.00 H new ATOM 0 HA PHE A 115 5.621 -9.111 -16.842 1.00 0.00 H new ATOM 0 HB2 PHE A 115 3.433 -8.148 -14.935 1.00 0.00 H new ATOM 0 HB3 PHE A 115 4.413 -9.585 -14.720 1.00 0.00 H new ATOM 0 HD1 PHE A 115 6.921 -9.286 -14.268 1.00 0.00 H new ATOM 0 HD2 PHE A 115 4.156 -6.036 -14.093 1.00 0.00 H new ATOM 0 HE1 PHE A 115 8.498 -8.014 -12.887 1.00 0.00 H new ATOM 0 HE2 PHE A 115 5.725 -4.781 -12.683 1.00 0.00 H new ATOM 0 HZ PHE A 115 7.898 -5.768 -12.077 1.00 0.00 H new ATOM 1886 N SER A 116 3.610 -10.710 -17.519 1.00 0.00 N ATOM 1887 CA SER A 116 2.412 -11.560 -17.701 1.00 0.00 C ATOM 1888 C SER A 116 2.711 -13.072 -17.549 1.00 0.00 C ATOM 1889 O SER A 116 3.859 -13.513 -17.369 1.00 0.00 O ATOM 1890 CB SER A 116 1.820 -11.307 -19.108 1.00 0.00 C ATOM 1891 OG SER A 116 0.531 -11.889 -19.256 1.00 0.00 O ATOM 0 H SER A 116 4.505 -11.186 -17.632 1.00 0.00 H new ATOM 0 HA SER A 116 1.706 -11.288 -16.917 1.00 0.00 H new ATOM 0 HB2 SER A 116 1.756 -10.234 -19.287 1.00 0.00 H new ATOM 0 HB3 SER A 116 2.491 -11.716 -19.863 1.00 0.00 H new ATOM 0 HG SER A 116 -0.091 -11.221 -19.613 1.00 0.00 H new ATOM 1897 N LYS A 117 1.615 -13.838 -17.637 1.00 0.00 N ATOM 1898 CA LYS A 117 1.611 -15.301 -17.732 1.00 0.00 C ATOM 1899 C LYS A 117 1.762 -15.749 -19.194 1.00 0.00 C ATOM 1900 O LYS A 117 2.006 -16.934 -19.466 1.00 0.00 O ATOM 1901 CB LYS A 117 0.274 -15.832 -17.160 1.00 0.00 C ATOM 1902 CG LYS A 117 0.114 -15.673 -15.625 1.00 0.00 C ATOM 1903 CD LYS A 117 0.962 -16.686 -14.820 1.00 0.00 C ATOM 1904 CE LYS A 117 0.588 -18.150 -15.132 1.00 0.00 C ATOM 1905 NZ LYS A 117 1.343 -19.124 -14.298 1.00 0.00 N ATOM 0 H LYS A 117 0.676 -13.441 -17.644 1.00 0.00 H new ATOM 0 HA LYS A 117 2.450 -15.701 -17.163 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -0.548 -15.312 -17.653 1.00 0.00 H new ATOM 0 HB3 LYS A 117 0.181 -16.888 -17.413 1.00 0.00 H new ATOM 0 HG2 LYS A 117 0.399 -14.661 -15.339 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -0.936 -15.795 -15.360 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.017 -16.529 -15.042 1.00 0.00 H new ATOM 0 HD3 LYS A 117 0.829 -16.500 -13.754 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -0.481 -18.290 -14.970 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.780 -18.354 -16.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 1.054 -20.092 -14.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 2.362 -19.012 -14.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.141 -18.951 -13.293 1.00 0.00 H new ATOM 1919 N THR A 118 1.600 -14.793 -20.122 1.00 0.00 N ATOM 1920 CA THR A 118 1.562 -15.048 -21.569 1.00 0.00 C ATOM 1921 C THR A 118 2.771 -14.358 -22.235 1.00 0.00 C ATOM 1922 O THR A 118 3.212 -13.299 -21.770 1.00 0.00 O ATOM 1923 CB THR A 118 0.201 -14.529 -22.172 1.00 0.00 C ATOM 1924 OG1 THR A 118 -0.828 -14.518 -21.156 1.00 0.00 O ATOM 1925 CG2 THR A 118 -0.286 -15.418 -23.326 1.00 0.00 C ATOM 0 H THR A 118 1.490 -13.807 -19.884 1.00 0.00 H new ATOM 0 HA THR A 118 1.623 -16.119 -21.761 1.00 0.00 H new ATOM 0 HB THR A 118 0.386 -13.522 -22.545 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.039 -13.592 -20.914 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.226 -15.027 -23.714 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.460 -15.424 -24.120 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.438 -16.435 -22.963 1.00 0.00 H new ATOM 1933 N THR A 119 3.292 -14.970 -23.319 1.00 0.00 N ATOM 1934 CA THR A 119 4.575 -14.570 -23.940 1.00 0.00 C ATOM 1935 C THR A 119 4.468 -13.250 -24.746 1.00 0.00 C ATOM 1936 O THR A 119 3.402 -12.906 -25.274 1.00 0.00 O ATOM 1937 CB THR A 119 5.139 -15.721 -24.847 1.00 0.00 C ATOM 1938 OG1 THR A 119 6.462 -15.395 -25.307 1.00 0.00 O ATOM 1939 CG2 THR A 119 4.239 -16.021 -26.062 1.00 0.00 C ATOM 0 H THR A 119 2.838 -15.753 -23.788 1.00 0.00 H new ATOM 0 HA THR A 119 5.271 -14.387 -23.121 1.00 0.00 H new ATOM 0 HB THR A 119 5.166 -16.617 -24.226 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.801 -16.122 -25.870 1.00 0.00 H new ATOM 0 HG21 THR A 119 4.680 -16.825 -26.652 1.00 0.00 H new ATOM 0 HG22 THR A 119 3.251 -16.324 -25.717 1.00 0.00 H new ATOM 0 HG23 THR A 119 4.149 -15.126 -26.678 1.00 0.00 H new ATOM 1947 N PHE A 120 5.600 -12.513 -24.788 1.00 0.00 N ATOM 1948 CA PHE A 120 5.776 -11.276 -25.570 1.00 0.00 C ATOM 1949 C PHE A 120 7.298 -10.987 -25.742 1.00 0.00 C ATOM 1950 O PHE A 120 7.950 -10.491 -24.801 1.00 0.00 O ATOM 1951 CB PHE A 120 4.995 -10.068 -24.942 1.00 0.00 C ATOM 1952 CG PHE A 120 5.278 -9.751 -23.456 1.00 0.00 C ATOM 1953 CD1 PHE A 120 4.970 -10.665 -22.445 1.00 0.00 C ATOM 1954 CD2 PHE A 120 5.856 -8.541 -23.078 1.00 0.00 C ATOM 1955 CE1 PHE A 120 5.231 -10.380 -21.123 1.00 0.00 C ATOM 1956 CE2 PHE A 120 6.114 -8.258 -21.753 1.00 0.00 C ATOM 1957 CZ PHE A 120 5.809 -9.181 -20.775 1.00 0.00 C ATOM 1958 OXT PHE A 120 7.851 -11.319 -26.809 1.00 0.00 O ATOM 0 H PHE A 120 6.436 -12.771 -24.264 1.00 0.00 H new ATOM 0 HA PHE A 120 5.342 -11.416 -26.560 1.00 0.00 H new ATOM 0 HB2 PHE A 120 5.220 -9.177 -25.528 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.928 -10.260 -25.051 1.00 0.00 H new ATOM 0 HD1 PHE A 120 4.519 -11.612 -22.705 1.00 0.00 H new ATOM 0 HD2 PHE A 120 6.106 -7.813 -23.835 1.00 0.00 H new ATOM 0 HE1 PHE A 120 4.981 -11.100 -20.357 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.556 -7.311 -21.481 1.00 0.00 H new ATOM 0 HZ PHE A 120 6.023 -8.963 -19.739 1.00 0.00 H new