USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 755 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 65 ASN : amide:sc= -1.19 K(o=-7.1,f=-9.9!) USER MOD Set 1.2: A 88 MET CE :methyl -144:sc= -5.96! (180deg=-4.53!) USER MOD Single : A 8 TYR OH : rot 180:sc= -0.959 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -163:sc= -0.482 (180deg=-1.46!) USER MOD Single : A 29 MET CE :methyl 172:sc= -0.632 (180deg=-0.757) USER MOD Single : A 30 HIS : no HD1:sc= -0.0438 X(o=-0.044,f=0) USER MOD Single : A 31 THR OG1 : rot 32:sc= -0.107 USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.31 K(o=-1.3,f=-2.9!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 47 SER OG : rot -77:sc= 0.518 USER MOD Single : A 56 SER OG : rot 63:sc= 1.3 USER MOD Single : A 67 SER OG : rot 170:sc= 0 USER MOD Single : A 68 SER OG : rot 24:sc= 0.354 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS :FLIP no HE2:sc= -0.0738 F(o=-1.2,f=-0.074) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -144:sc= -0.0297 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -119:sc= 1.27 (180deg=-0.203) USER MOD Single : A 102 LYS NZ :NH3+ 158:sc= 0.62 (180deg=0.0211) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=-0.0064) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 8.789 3.438 -14.562 1.00 0.00 N ATOM 60 CA GLY A 7 7.366 3.731 -14.602 1.00 0.00 C ATOM 61 C GLY A 7 6.547 2.448 -14.760 1.00 0.00 C ATOM 62 O GLY A 7 5.904 2.240 -15.788 1.00 0.00 O ATOM 0 HA2 GLY A 7 7.071 4.245 -13.687 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.153 4.407 -15.430 1.00 0.00 H new ATOM 66 N TYR A 8 6.598 1.621 -13.726 1.00 0.00 N ATOM 67 CA TYR A 8 5.868 0.364 -13.737 1.00 0.00 C ATOM 68 C TYR A 8 4.983 0.234 -12.496 1.00 0.00 C ATOM 69 O TYR A 8 5.219 0.897 -11.487 1.00 0.00 O ATOM 70 CB TYR A 8 6.928 -0.739 -13.710 1.00 0.00 C ATOM 71 CG TYR A 8 6.513 -1.982 -12.922 1.00 0.00 C ATOM 72 CD1 TYR A 8 6.621 -1.995 -11.546 1.00 0.00 C ATOM 73 CD2 TYR A 8 6.031 -3.091 -13.586 1.00 0.00 C ATOM 74 CE1 TYR A 8 6.230 -3.165 -10.804 1.00 0.00 C ATOM 75 CE2 TYR A 8 5.640 -4.262 -12.844 1.00 0.00 C ATOM 76 CZ TYR A 8 5.759 -4.241 -11.489 1.00 0.00 C ATOM 77 OH TYR A 8 5.389 -5.346 -10.788 1.00 0.00 O ATOM 0 H TYR A 8 7.133 1.796 -12.875 1.00 0.00 H new ATOM 0 HA TYR A 8 5.222 0.302 -14.613 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.159 -1.031 -14.734 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.845 -0.337 -13.278 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.999 -1.127 -11.026 1.00 0.00 H new ATOM 0 HD2 TYR A 8 5.947 -3.081 -14.663 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.309 -3.188 -9.727 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.261 -5.137 -13.352 1.00 0.00 H new ATOM 0 HH TYR A 8 5.071 -6.035 -11.408 1.00 0.00 H new ATOM 87 N VAL A 9 3.981 -0.626 -12.611 1.00 0.00 N ATOM 88 CA VAL A 9 3.059 -0.852 -11.511 1.00 0.00 C ATOM 89 C VAL A 9 3.022 -2.345 -11.180 1.00 0.00 C ATOM 90 O VAL A 9 3.446 -3.173 -11.985 1.00 0.00 O ATOM 91 CB VAL A 9 1.682 -0.282 -11.857 1.00 0.00 C ATOM 92 CG1 VAL A 9 0.711 -0.443 -10.685 1.00 0.00 C ATOM 93 CG2 VAL A 9 1.786 1.183 -12.285 1.00 0.00 C ATOM 0 H VAL A 9 3.788 -1.174 -13.449 1.00 0.00 H new ATOM 0 HA VAL A 9 3.397 -0.329 -10.616 1.00 0.00 H new ATOM 0 HB VAL A 9 1.287 -0.850 -12.700 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.260 -0.030 -10.958 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.601 -1.501 -10.446 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.100 0.087 -9.815 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.793 1.563 -12.525 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.212 1.770 -11.472 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.427 1.261 -13.163 1.00 0.00 H new ATOM 103 N PHE A 10 2.512 -2.644 -9.995 1.00 0.00 N ATOM 104 CA PHE A 10 2.415 -4.023 -9.548 1.00 0.00 C ATOM 105 C PHE A 10 1.155 -4.240 -8.708 1.00 0.00 C ATOM 106 O PHE A 10 0.809 -3.404 -7.874 1.00 0.00 O ATOM 107 CB PHE A 10 3.645 -4.301 -8.681 1.00 0.00 C ATOM 108 CG PHE A 10 3.637 -3.570 -7.337 1.00 0.00 C ATOM 109 CD1 PHE A 10 3.060 -4.151 -6.251 1.00 0.00 C ATOM 110 CD2 PHE A 10 4.206 -2.339 -7.229 1.00 0.00 C ATOM 111 CE1 PHE A 10 3.053 -3.472 -5.003 1.00 0.00 C ATOM 112 CE2 PHE A 10 4.199 -1.661 -5.981 1.00 0.00 C ATOM 113 CZ PHE A 10 3.622 -2.242 -4.895 1.00 0.00 C ATOM 0 H PHE A 10 2.161 -1.955 -9.330 1.00 0.00 H new ATOM 0 HA PHE A 10 2.365 -4.690 -10.409 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.714 -5.374 -8.499 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.539 -4.013 -9.234 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.607 -5.128 -6.337 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.663 -1.877 -8.092 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.596 -3.933 -4.140 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.652 -0.684 -5.894 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.616 -1.726 -3.946 1.00 0.00 H new ATOM 123 N THR A 11 0.503 -5.366 -8.956 1.00 0.00 N ATOM 124 CA THR A 11 -0.712 -5.703 -8.233 1.00 0.00 C ATOM 125 C THR A 11 -0.372 -6.418 -6.924 1.00 0.00 C ATOM 126 O THR A 11 0.659 -7.081 -6.824 1.00 0.00 O ATOM 127 CB THR A 11 -1.602 -6.529 -9.163 1.00 0.00 C ATOM 128 OG1 THR A 11 -1.863 -5.657 -10.260 1.00 0.00 O ATOM 129 CG2 THR A 11 -2.984 -6.799 -8.565 1.00 0.00 C ATOM 0 H THR A 11 0.793 -6.057 -9.648 1.00 0.00 H new ATOM 0 HA THR A 11 -1.262 -4.807 -7.944 1.00 0.00 H new ATOM 0 HB THR A 11 -1.112 -7.477 -9.386 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.433 -6.114 -10.913 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.575 -7.389 -9.266 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.875 -7.349 -7.630 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.488 -5.852 -8.372 1.00 0.00 H new ATOM 137 N VAL A 12 -1.259 -6.259 -5.952 1.00 0.00 N ATOM 138 CA VAL A 12 -1.066 -6.881 -4.654 1.00 0.00 C ATOM 139 C VAL A 12 -2.347 -7.610 -4.247 1.00 0.00 C ATOM 140 O VAL A 12 -3.364 -6.977 -3.968 1.00 0.00 O ATOM 141 CB VAL A 12 -0.625 -5.831 -3.631 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.338 -6.435 -2.607 1.00 0.00 C ATOM 143 CG2 VAL A 12 0.001 -4.619 -4.324 1.00 0.00 C ATOM 0 H VAL A 12 -2.113 -5.708 -6.038 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.270 -7.624 -4.701 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.512 -5.490 -3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.636 -5.668 -1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.156 -7.251 -2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.221 -6.817 -3.119 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.305 -3.888 -3.575 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.873 -4.937 -4.896 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.729 -4.167 -4.996 1.00 0.00 H new ATOM 153 N GLU A 13 -2.257 -8.932 -4.226 1.00 0.00 N ATOM 154 CA GLU A 13 -3.396 -9.755 -3.858 1.00 0.00 C ATOM 155 C GLU A 13 -3.147 -10.435 -2.510 1.00 0.00 C ATOM 156 O GLU A 13 -2.354 -11.371 -2.420 1.00 0.00 O ATOM 157 CB GLU A 13 -3.701 -10.787 -4.945 1.00 0.00 C ATOM 158 CG GLU A 13 -4.457 -10.148 -6.111 1.00 0.00 C ATOM 159 CD GLU A 13 -4.980 -11.215 -7.076 1.00 0.00 C ATOM 160 OE1 GLU A 13 -4.134 -11.807 -7.780 1.00 0.00 O ATOM 161 OE2 GLU A 13 -6.214 -11.413 -7.087 1.00 0.00 O ATOM 0 H GLU A 13 -1.412 -9.454 -4.458 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.269 -9.110 -3.761 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.771 -11.225 -5.307 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.294 -11.599 -4.524 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.290 -9.558 -5.729 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.798 -9.462 -6.644 1.00 0.00 H new ATOM 168 N LEU A 14 -3.839 -9.937 -1.495 1.00 0.00 N ATOM 169 CA LEU A 14 -3.702 -10.485 -0.156 1.00 0.00 C ATOM 170 C LEU A 14 -5.043 -11.072 0.289 1.00 0.00 C ATOM 171 O LEU A 14 -6.050 -10.925 -0.403 1.00 0.00 O ATOM 172 CB LEU A 14 -3.145 -9.429 0.800 1.00 0.00 C ATOM 173 CG LEU A 14 -1.928 -8.648 0.302 1.00 0.00 C ATOM 174 CD1 LEU A 14 -2.127 -7.143 0.492 1.00 0.00 C ATOM 175 CD2 LEU A 14 -0.645 -9.145 0.971 1.00 0.00 C ATOM 0 H LEU A 14 -4.496 -9.160 -1.573 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.979 -11.300 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.940 -8.718 1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.879 -9.920 1.736 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.823 -8.827 -0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.247 -6.611 0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.004 -6.818 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.272 -6.926 1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.205 -8.573 0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.724 -9.016 2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.500 -10.201 0.741 1.00 0.00 H new ATOM 187 N GLU A 15 -5.014 -11.725 1.441 1.00 0.00 N ATOM 188 CA GLU A 15 -6.214 -12.335 1.987 1.00 0.00 C ATOM 189 C GLU A 15 -6.521 -11.758 3.370 1.00 0.00 C ATOM 190 O GLU A 15 -5.693 -11.834 4.277 1.00 0.00 O ATOM 191 CB GLU A 15 -6.078 -13.858 2.046 1.00 0.00 C ATOM 192 CG GLU A 15 -7.250 -14.484 2.803 1.00 0.00 C ATOM 193 CD GLU A 15 -8.066 -15.401 1.889 1.00 0.00 C ATOM 194 OE1 GLU A 15 -8.109 -15.100 0.676 1.00 0.00 O ATOM 195 OE2 GLU A 15 -8.628 -16.381 2.423 1.00 0.00 O ATOM 0 H GLU A 15 -4.177 -11.845 2.012 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.048 -12.104 1.325 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.036 -14.262 1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.141 -14.124 2.535 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.876 -15.053 3.654 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.891 -13.698 3.202 1.00 0.00 H new ATOM 202 N ARG A 16 -7.714 -11.193 3.490 1.00 0.00 N ATOM 203 CA ARG A 16 -8.140 -10.603 4.748 1.00 0.00 C ATOM 204 C ARG A 16 -7.656 -11.454 5.924 1.00 0.00 C ATOM 205 O ARG A 16 -7.723 -12.681 5.876 1.00 0.00 O ATOM 206 CB ARG A 16 -9.664 -10.480 4.810 1.00 0.00 C ATOM 207 CG ARG A 16 -10.104 -9.764 6.088 1.00 0.00 C ATOM 208 CD ARG A 16 -11.491 -10.236 6.531 1.00 0.00 C ATOM 209 NE ARG A 16 -11.463 -10.618 7.960 1.00 0.00 N ATOM 210 CZ ARG A 16 -12.558 -10.828 8.703 1.00 0.00 C ATOM 211 NH1 ARG A 16 -13.774 -10.695 8.157 1.00 0.00 N ATOM 212 NH2 ARG A 16 -12.437 -11.171 9.993 1.00 0.00 N ATOM 0 H ARG A 16 -8.399 -11.131 2.737 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.703 -9.606 4.812 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.024 -9.932 3.939 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.114 -11.472 4.771 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.381 -9.952 6.882 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.119 -8.687 5.919 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.222 -9.443 6.372 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.806 -11.086 5.925 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.553 -10.728 8.408 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.866 -10.434 7.175 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -14.607 -10.855 8.723 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.511 -11.272 10.409 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.271 -11.331 10.559 1.00 0.00 H new ATOM 226 N GLY A 17 -7.178 -10.767 6.952 1.00 0.00 N ATOM 227 CA GLY A 17 -6.683 -11.444 8.138 1.00 0.00 C ATOM 228 C GLY A 17 -7.650 -11.274 9.311 1.00 0.00 C ATOM 229 O GLY A 17 -8.761 -10.774 9.137 1.00 0.00 O ATOM 0 H GLY A 17 -7.123 -9.749 6.988 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.547 -12.504 7.925 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.705 -11.045 8.407 1.00 0.00 H new ATOM 233 N PRO A 18 -7.182 -11.710 10.511 1.00 0.00 N ATOM 234 CA PRO A 18 -7.993 -11.611 11.712 1.00 0.00 C ATOM 235 C PRO A 18 -8.048 -10.168 12.219 1.00 0.00 C ATOM 236 O PRO A 18 -8.784 -9.863 13.156 1.00 0.00 O ATOM 237 CB PRO A 18 -7.346 -12.564 12.703 1.00 0.00 C ATOM 238 CG PRO A 18 -5.937 -12.810 12.187 1.00 0.00 C ATOM 239 CD PRO A 18 -5.872 -12.307 10.754 1.00 0.00 C ATOM 0 HA PRO A 18 -9.034 -11.883 11.540 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.325 -12.132 13.704 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.906 -13.497 12.770 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.207 -12.290 12.808 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.694 -13.872 12.230 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.074 -11.576 10.627 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.672 -13.121 10.057 1.00 0.00 H new ATOM 247 N SER A 19 -7.260 -9.319 11.576 1.00 0.00 N ATOM 248 CA SER A 19 -7.209 -7.915 11.950 1.00 0.00 C ATOM 249 C SER A 19 -7.735 -7.049 10.804 1.00 0.00 C ATOM 250 O SER A 19 -7.905 -5.841 10.962 1.00 0.00 O ATOM 251 CB SER A 19 -5.786 -7.495 12.323 1.00 0.00 C ATOM 252 OG SER A 19 -5.126 -8.485 13.108 1.00 0.00 O ATOM 0 H SER A 19 -6.652 -9.576 10.799 1.00 0.00 H new ATOM 0 HA SER A 19 -7.842 -7.771 12.826 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.212 -7.311 11.415 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.818 -6.556 12.876 1.00 0.00 H new ATOM 0 HG SER A 19 -4.220 -8.181 13.324 1.00 0.00 H new ATOM 258 N GLY A 20 -7.979 -7.701 9.676 1.00 0.00 N ATOM 259 CA GLY A 20 -8.482 -7.005 8.504 1.00 0.00 C ATOM 260 C GLY A 20 -7.336 -6.401 7.691 1.00 0.00 C ATOM 261 O GLY A 20 -7.376 -5.225 7.333 1.00 0.00 O ATOM 0 H GLY A 20 -7.838 -8.703 9.549 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.049 -7.697 7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.169 -6.217 8.812 1.00 0.00 H new ATOM 265 N LEU A 21 -6.341 -7.234 7.422 1.00 0.00 N ATOM 266 CA LEU A 21 -5.186 -6.797 6.657 1.00 0.00 C ATOM 267 C LEU A 21 -4.215 -6.061 7.583 1.00 0.00 C ATOM 268 O LEU A 21 -3.952 -6.511 8.697 1.00 0.00 O ATOM 269 CB LEU A 21 -5.625 -5.972 5.446 1.00 0.00 C ATOM 270 CG LEU A 21 -6.880 -6.462 4.720 1.00 0.00 C ATOM 271 CD1 LEU A 21 -7.781 -5.289 4.330 1.00 0.00 C ATOM 272 CD2 LEU A 21 -6.512 -7.328 3.513 1.00 0.00 C ATOM 0 H LEU A 21 -6.311 -8.209 7.720 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.652 -7.656 6.251 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.795 -4.946 5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.802 -5.946 4.731 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.448 -7.090 5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.665 -5.665 3.816 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.085 -4.750 5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.236 -4.615 3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.422 -7.663 3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.911 -6.744 2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.941 -8.194 3.847 1.00 0.00 H new ATOM 284 N GLY A 22 -3.709 -4.941 7.087 1.00 0.00 N ATOM 285 CA GLY A 22 -2.774 -4.138 7.857 1.00 0.00 C ATOM 286 C GLY A 22 -2.091 -3.093 6.971 1.00 0.00 C ATOM 287 O GLY A 22 -0.917 -3.233 6.632 1.00 0.00 O ATOM 0 H GLY A 22 -3.929 -4.571 6.162 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.301 -3.641 8.672 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.022 -4.784 8.310 1.00 0.00 H new ATOM 291 N MET A 23 -2.856 -2.069 6.623 1.00 0.00 N ATOM 292 CA MET A 23 -2.340 -1.001 5.784 1.00 0.00 C ATOM 293 C MET A 23 -2.943 0.348 6.181 1.00 0.00 C ATOM 294 O MET A 23 -4.154 0.543 6.084 1.00 0.00 O ATOM 295 CB MET A 23 -2.670 -1.297 4.320 1.00 0.00 C ATOM 296 CG MET A 23 -1.406 -1.651 3.534 1.00 0.00 C ATOM 297 SD MET A 23 -1.744 -1.604 1.781 1.00 0.00 S ATOM 298 CE MET A 23 -3.382 -2.313 1.762 1.00 0.00 C ATOM 0 H MET A 23 -3.829 -1.956 6.907 1.00 0.00 H new ATOM 0 HA MET A 23 -1.260 -0.948 5.918 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.381 -2.121 4.263 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.152 -0.429 3.869 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.608 -0.950 3.778 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.057 -2.643 3.819 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.627 -2.637 0.750 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.416 -3.170 2.435 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.106 -1.566 2.089 1.00 0.00 H new ATOM 308 N GLY A 24 -2.071 1.244 6.619 1.00 0.00 N ATOM 309 CA GLY A 24 -2.503 2.569 7.031 1.00 0.00 C ATOM 310 C GLY A 24 -2.396 3.565 5.874 1.00 0.00 C ATOM 311 O GLY A 24 -1.443 4.339 5.802 1.00 0.00 O ATOM 0 H GLY A 24 -1.068 1.079 6.698 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.533 2.526 7.384 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.893 2.911 7.867 1.00 0.00 H new ATOM 315 N LEU A 25 -3.388 3.512 4.997 1.00 0.00 N ATOM 316 CA LEU A 25 -3.418 4.399 3.847 1.00 0.00 C ATOM 317 C LEU A 25 -3.721 5.824 4.315 1.00 0.00 C ATOM 318 O LEU A 25 -4.505 6.023 5.242 1.00 0.00 O ATOM 319 CB LEU A 25 -4.397 3.878 2.793 1.00 0.00 C ATOM 320 CG LEU A 25 -4.177 2.436 2.329 1.00 0.00 C ATOM 321 CD1 LEU A 25 -2.693 2.066 2.374 1.00 0.00 C ATOM 322 CD2 LEU A 25 -5.036 1.463 3.138 1.00 0.00 C ATOM 0 H LEU A 25 -4.177 2.868 5.060 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.443 4.423 3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.408 3.960 3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.344 4.531 1.922 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.496 2.359 1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.564 1.037 2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.132 2.733 1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.324 2.164 3.395 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.861 0.446 2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.771 1.535 4.193 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.089 1.714 3.010 1.00 0.00 H new ATOM 334 N ILE A 26 -3.084 6.779 3.653 1.00 0.00 N ATOM 335 CA ILE A 26 -3.276 8.179 3.990 1.00 0.00 C ATOM 336 C ILE A 26 -3.432 8.992 2.704 1.00 0.00 C ATOM 337 O ILE A 26 -3.042 8.540 1.628 1.00 0.00 O ATOM 338 CB ILE A 26 -2.145 8.672 4.896 1.00 0.00 C ATOM 339 CG1 ILE A 26 -2.467 10.051 5.474 1.00 0.00 C ATOM 340 CG2 ILE A 26 -0.805 8.659 4.156 1.00 0.00 C ATOM 341 CD1 ILE A 26 -1.896 10.201 6.885 1.00 0.00 C ATOM 0 H ILE A 26 -2.434 6.610 2.885 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.193 8.310 4.564 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.056 7.984 5.737 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.055 10.826 4.827 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.547 10.196 5.498 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.018 9.014 4.822 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.577 7.643 3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.864 9.311 3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.139 11.190 7.273 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.328 9.440 7.535 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.813 10.079 6.854 1.00 0.00 H new ATOM 353 N ASP A 27 -4.003 10.178 2.856 1.00 0.00 N ATOM 354 CA ASP A 27 -4.215 11.058 1.720 1.00 0.00 C ATOM 355 C ASP A 27 -2.938 11.856 1.453 1.00 0.00 C ATOM 356 O ASP A 27 -2.452 12.569 2.329 1.00 0.00 O ATOM 357 CB ASP A 27 -5.345 12.053 1.997 1.00 0.00 C ATOM 358 CG ASP A 27 -6.159 12.465 0.770 1.00 0.00 C ATOM 359 OD1 ASP A 27 -5.753 13.456 0.126 1.00 0.00 O ATOM 360 OD2 ASP A 27 -7.170 11.779 0.503 1.00 0.00 O ATOM 0 H ASP A 27 -4.325 10.550 3.749 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.480 10.441 0.861 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.021 11.617 2.733 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.918 12.949 2.448 1.00 0.00 H new ATOM 365 N GLY A 28 -2.430 11.709 0.238 1.00 0.00 N ATOM 366 CA GLY A 28 -1.218 12.407 -0.156 1.00 0.00 C ATOM 367 C GLY A 28 -1.260 13.871 0.286 1.00 0.00 C ATOM 368 O GLY A 28 -0.218 14.485 0.512 1.00 0.00 O ATOM 0 H GLY A 28 -2.836 11.117 -0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.351 11.915 0.285 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.099 12.353 -1.238 1.00 0.00 H new ATOM 372 N MET A 29 -2.475 14.388 0.397 1.00 0.00 N ATOM 373 CA MET A 29 -2.666 15.768 0.808 1.00 0.00 C ATOM 374 C MET A 29 -2.295 15.958 2.280 1.00 0.00 C ATOM 375 O MET A 29 -1.682 16.960 2.645 1.00 0.00 O ATOM 376 CB MET A 29 -4.128 16.166 0.595 1.00 0.00 C ATOM 377 CG MET A 29 -4.429 16.374 -0.891 1.00 0.00 C ATOM 378 SD MET A 29 -4.125 18.073 -1.344 1.00 0.00 S ATOM 379 CE MET A 29 -3.616 17.855 -3.041 1.00 0.00 C ATOM 0 H MET A 29 -3.337 13.876 0.209 1.00 0.00 H new ATOM 0 HA MET A 29 -2.016 16.401 0.204 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.782 15.392 0.997 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.343 17.082 1.145 1.00 0.00 H new ATOM 0 HG2 MET A 29 -3.806 15.712 -1.493 1.00 0.00 H new ATOM 0 HG3 MET A 29 -5.467 16.113 -1.100 1.00 0.00 H new ATOM 0 HE1 MET A 29 -3.523 18.829 -3.521 1.00 0.00 H new ATOM 0 HE2 MET A 29 -2.654 17.343 -3.069 1.00 0.00 H new ATOM 0 HE3 MET A 29 -4.360 17.259 -3.570 1.00 0.00 H new ATOM 389 N HIS A 30 -2.681 14.980 3.086 1.00 0.00 N ATOM 390 CA HIS A 30 -2.396 15.027 4.510 1.00 0.00 C ATOM 391 C HIS A 30 -0.888 14.909 4.736 1.00 0.00 C ATOM 392 O HIS A 30 -0.351 15.483 5.682 1.00 0.00 O ATOM 393 CB HIS A 30 -3.193 13.957 5.259 1.00 0.00 C ATOM 394 CG HIS A 30 -4.505 14.450 5.822 1.00 0.00 C ATOM 395 ND1 HIS A 30 -5.043 13.968 7.003 1.00 0.00 N ATOM 396 CD2 HIS A 30 -5.380 15.387 5.355 1.00 0.00 C ATOM 397 CE1 HIS A 30 -6.190 14.593 7.226 1.00 0.00 C ATOM 398 NE2 HIS A 30 -6.397 15.471 6.203 1.00 0.00 N ATOM 0 H HIS A 30 -3.189 14.150 2.780 1.00 0.00 H new ATOM 0 HA HIS A 30 -2.715 15.987 4.917 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -3.389 13.125 4.583 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.583 13.568 6.074 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.264 15.963 4.449 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.846 14.435 8.070 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.202 16.090 6.106 1.00 0.00 H new ATOM 406 N THR A 31 -0.246 14.161 3.851 1.00 0.00 N ATOM 407 CA THR A 31 1.190 13.960 3.941 1.00 0.00 C ATOM 408 C THR A 31 1.934 15.146 3.324 1.00 0.00 C ATOM 409 O THR A 31 1.376 15.878 2.509 1.00 0.00 O ATOM 410 CB THR A 31 1.523 12.622 3.278 1.00 0.00 C ATOM 411 OG1 THR A 31 0.813 12.660 2.043 1.00 0.00 O ATOM 412 CG2 THR A 31 0.914 11.432 4.021 1.00 0.00 C ATOM 0 H THR A 31 -0.694 13.686 3.067 1.00 0.00 H new ATOM 0 HA THR A 31 1.519 13.915 4.979 1.00 0.00 H new ATOM 0 HB THR A 31 2.605 12.502 3.227 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.769 13.584 1.719 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.181 10.508 3.509 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.297 11.405 5.041 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.171 11.534 4.044 1.00 0.00 H new ATOM 420 N HIS A 32 3.184 15.299 3.738 1.00 0.00 N ATOM 421 CA HIS A 32 4.010 16.384 3.236 1.00 0.00 C ATOM 422 C HIS A 32 3.892 16.457 1.712 1.00 0.00 C ATOM 423 O HIS A 32 4.006 17.533 1.128 1.00 0.00 O ATOM 424 CB HIS A 32 5.457 16.229 3.712 1.00 0.00 C ATOM 425 CG HIS A 32 6.052 17.493 4.286 1.00 0.00 C ATOM 426 ND1 HIS A 32 6.473 17.593 5.601 1.00 0.00 N ATOM 427 CD2 HIS A 32 6.293 18.706 3.711 1.00 0.00 C ATOM 428 CE1 HIS A 32 6.944 18.815 5.797 1.00 0.00 C ATOM 429 NE2 HIS A 32 6.831 19.504 4.625 1.00 0.00 N ATOM 0 H HIS A 32 3.644 14.690 4.415 1.00 0.00 H new ATOM 0 HA HIS A 32 3.655 17.333 3.639 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.498 15.444 4.467 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.071 15.898 2.874 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.082 18.972 2.686 1.00 0.00 H new ATOM 0 HE1 HIS A 32 7.347 19.199 6.723 1.00 0.00 H new ATOM 0 HE2 HIS A 32 7.113 20.473 4.476 1.00 0.00 H new ATOM 437 N LEU A 33 3.664 15.298 1.112 1.00 0.00 N ATOM 438 CA LEU A 33 3.529 15.217 -0.332 1.00 0.00 C ATOM 439 C LEU A 33 2.625 16.351 -0.820 1.00 0.00 C ATOM 440 O LEU A 33 2.957 17.045 -1.780 1.00 0.00 O ATOM 441 CB LEU A 33 3.048 13.825 -0.748 1.00 0.00 C ATOM 442 CG LEU A 33 3.556 13.316 -2.098 1.00 0.00 C ATOM 443 CD1 LEU A 33 4.915 12.628 -1.949 1.00 0.00 C ATOM 444 CD2 LEU A 33 2.523 12.405 -2.765 1.00 0.00 C ATOM 0 H LEU A 33 3.569 14.407 1.600 1.00 0.00 H new ATOM 0 HA LEU A 33 4.498 15.351 -0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.347 13.114 0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.958 13.831 -0.771 1.00 0.00 H new ATOM 0 HG LEU A 33 3.700 14.175 -2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.253 12.276 -2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.640 13.337 -1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.821 11.781 -1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.909 12.057 -3.723 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.324 11.548 -2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.599 12.960 -2.926 1.00 0.00 H new ATOM 456 N GLY A 34 1.501 16.504 -0.136 1.00 0.00 N ATOM 457 CA GLY A 34 0.547 17.542 -0.488 1.00 0.00 C ATOM 458 C GLY A 34 -0.033 17.304 -1.883 1.00 0.00 C ATOM 459 O GLY A 34 -0.484 18.241 -2.541 1.00 0.00 O ATOM 0 H GLY A 34 1.229 15.927 0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.259 17.564 0.246 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.035 18.516 -0.455 1.00 0.00 H new ATOM 463 N ALA A 35 -0.004 16.045 -2.294 1.00 0.00 N ATOM 464 CA ALA A 35 -0.522 15.671 -3.599 1.00 0.00 C ATOM 465 C ALA A 35 -1.767 14.801 -3.420 1.00 0.00 C ATOM 466 O ALA A 35 -1.903 14.106 -2.414 1.00 0.00 O ATOM 467 CB ALA A 35 0.574 14.964 -4.400 1.00 0.00 C ATOM 0 H ALA A 35 0.370 15.270 -1.746 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.818 16.556 -4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.186 14.683 -5.379 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.423 15.635 -4.525 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.895 14.069 -3.867 1.00 0.00 H new ATOM 473 N PRO A 36 -2.667 14.868 -4.437 1.00 0.00 N ATOM 474 CA PRO A 36 -3.896 14.094 -4.401 1.00 0.00 C ATOM 475 C PRO A 36 -3.623 12.617 -4.694 1.00 0.00 C ATOM 476 O PRO A 36 -2.891 12.291 -5.627 1.00 0.00 O ATOM 477 CB PRO A 36 -4.802 14.747 -5.432 1.00 0.00 C ATOM 478 CG PRO A 36 -3.889 15.563 -6.332 1.00 0.00 C ATOM 479 CD PRO A 36 -2.539 15.679 -5.644 1.00 0.00 C ATOM 0 HA PRO A 36 -4.367 14.097 -3.418 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -5.346 13.996 -6.005 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.546 15.382 -4.952 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -3.782 15.082 -7.304 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -4.313 16.551 -6.510 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -1.736 15.313 -6.284 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.306 16.716 -5.402 1.00 0.00 H new ATOM 487 N GLY A 37 -4.226 11.764 -3.879 1.00 0.00 N ATOM 488 CA GLY A 37 -4.057 10.330 -4.040 1.00 0.00 C ATOM 489 C GLY A 37 -3.839 9.649 -2.687 1.00 0.00 C ATOM 490 O GLY A 37 -3.549 10.313 -1.693 1.00 0.00 O ATOM 0 H GLY A 37 -4.832 12.038 -3.106 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.937 9.909 -4.526 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.207 10.131 -4.693 1.00 0.00 H new ATOM 494 N LEU A 38 -3.987 8.332 -2.693 1.00 0.00 N ATOM 495 CA LEU A 38 -3.810 7.554 -1.478 1.00 0.00 C ATOM 496 C LEU A 38 -2.457 6.841 -1.527 1.00 0.00 C ATOM 497 O LEU A 38 -1.994 6.454 -2.599 1.00 0.00 O ATOM 498 CB LEU A 38 -4.996 6.610 -1.270 1.00 0.00 C ATOM 499 CG LEU A 38 -6.306 7.265 -0.830 1.00 0.00 C ATOM 500 CD1 LEU A 38 -6.278 7.600 0.663 1.00 0.00 C ATOM 501 CD2 LEU A 38 -6.619 8.494 -1.687 1.00 0.00 C ATOM 0 H LEU A 38 -4.227 7.784 -3.519 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.795 8.207 -0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.176 6.074 -2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.716 5.866 -0.524 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.114 6.550 -0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.221 8.065 0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.135 6.685 1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.458 8.289 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.555 8.941 -1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.814 9.222 -1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.711 8.196 -2.731 1.00 0.00 H new ATOM 513 N TYR A 39 -1.861 6.689 -0.354 1.00 0.00 N ATOM 514 CA TYR A 39 -0.571 6.030 -0.249 1.00 0.00 C ATOM 515 C TYR A 39 -0.441 5.287 1.082 1.00 0.00 C ATOM 516 O TYR A 39 -1.168 5.575 2.031 1.00 0.00 O ATOM 517 CB TYR A 39 0.477 7.143 -0.303 1.00 0.00 C ATOM 518 CG TYR A 39 0.335 8.074 -1.509 1.00 0.00 C ATOM 519 CD1 TYR A 39 -0.645 9.047 -1.518 1.00 0.00 C ATOM 520 CD2 TYR A 39 1.186 7.942 -2.587 1.00 0.00 C ATOM 521 CE1 TYR A 39 -0.778 9.923 -2.653 1.00 0.00 C ATOM 522 CE2 TYR A 39 1.052 8.818 -3.722 1.00 0.00 C ATOM 523 CZ TYR A 39 0.077 9.766 -3.698 1.00 0.00 C ATOM 524 OH TYR A 39 -0.050 10.593 -4.770 1.00 0.00 O ATOM 0 H TYR A 39 -2.248 7.011 0.533 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.447 5.300 -1.049 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.411 7.735 0.610 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.470 6.693 -0.319 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.311 9.151 -0.674 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.953 7.181 -2.580 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.540 10.688 -2.674 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.711 8.724 -4.573 1.00 0.00 H new ATOM 0 HH TYR A 39 0.628 10.366 -5.440 1.00 0.00 H new ATOM 534 N ILE A 40 0.491 4.346 1.109 1.00 0.00 N ATOM 535 CA ILE A 40 0.726 3.559 2.308 1.00 0.00 C ATOM 536 C ILE A 40 1.474 4.413 3.334 1.00 0.00 C ATOM 537 O ILE A 40 2.553 4.929 3.049 1.00 0.00 O ATOM 538 CB ILE A 40 1.438 2.251 1.960 1.00 0.00 C ATOM 539 CG1 ILE A 40 0.608 1.417 0.982 1.00 0.00 C ATOM 540 CG2 ILE A 40 1.793 1.466 3.224 1.00 0.00 C ATOM 541 CD1 ILE A 40 1.202 0.018 0.812 1.00 0.00 C ATOM 0 H ILE A 40 1.093 4.111 0.320 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.220 3.267 2.764 1.00 0.00 H new ATOM 0 HB ILE A 40 2.375 2.496 1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.417 1.339 1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.567 1.918 0.015 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.298 0.541 2.948 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.452 2.066 3.852 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.882 1.232 3.775 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.593 -0.553 0.112 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.218 0.099 0.427 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.219 -0.490 1.776 1.00 0.00 H new ATOM 553 N GLN A 41 0.870 4.535 4.507 1.00 0.00 N ATOM 554 CA GLN A 41 1.466 5.317 5.577 1.00 0.00 C ATOM 555 C GLN A 41 2.144 4.396 6.594 1.00 0.00 C ATOM 556 O GLN A 41 3.236 4.695 7.076 1.00 0.00 O ATOM 557 CB GLN A 41 0.420 6.205 6.255 1.00 0.00 C ATOM 558 CG GLN A 41 1.077 7.419 6.915 1.00 0.00 C ATOM 559 CD GLN A 41 0.216 7.951 8.063 1.00 0.00 C ATOM 560 OE1 GLN A 41 -0.751 7.338 8.484 1.00 0.00 O ATOM 561 NE2 GLN A 41 0.621 9.123 8.544 1.00 0.00 N ATOM 0 H GLN A 41 -0.025 4.106 4.740 1.00 0.00 H new ATOM 0 HA GLN A 41 2.224 5.969 5.144 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.312 6.538 5.519 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.122 5.628 7.004 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.062 7.144 7.292 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.227 8.204 6.174 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.440 9.583 8.145 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.113 9.562 9.312 1.00 0.00 H new ATOM 570 N THR A 42 1.470 3.294 6.889 1.00 0.00 N ATOM 571 CA THR A 42 1.994 2.328 7.839 1.00 0.00 C ATOM 572 C THR A 42 1.744 0.902 7.342 1.00 0.00 C ATOM 573 O THR A 42 1.000 0.696 6.385 1.00 0.00 O ATOM 574 CB THR A 42 1.362 2.615 9.203 1.00 0.00 C ATOM 575 OG1 THR A 42 0.051 3.076 8.888 1.00 0.00 O ATOM 576 CG2 THR A 42 2.015 3.804 9.912 1.00 0.00 C ATOM 0 H THR A 42 0.565 3.049 6.487 1.00 0.00 H new ATOM 0 HA THR A 42 3.075 2.419 7.940 1.00 0.00 H new ATOM 0 HB THR A 42 1.440 1.729 9.833 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.430 3.284 9.716 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.530 3.965 10.875 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.074 3.597 10.069 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.907 4.698 9.298 1.00 0.00 H new ATOM 584 N LEU A 43 2.381 -0.044 8.015 1.00 0.00 N ATOM 585 CA LEU A 43 2.238 -1.445 7.654 1.00 0.00 C ATOM 586 C LEU A 43 2.267 -2.300 8.923 1.00 0.00 C ATOM 587 O LEU A 43 3.336 -2.576 9.465 1.00 0.00 O ATOM 588 CB LEU A 43 3.294 -1.842 6.621 1.00 0.00 C ATOM 589 CG LEU A 43 2.875 -1.723 5.154 1.00 0.00 C ATOM 590 CD1 LEU A 43 4.045 -2.043 4.222 1.00 0.00 C ATOM 591 CD2 LEU A 43 1.652 -2.594 4.860 1.00 0.00 C ATOM 0 H LEU A 43 2.998 0.131 8.808 1.00 0.00 H new ATOM 0 HA LEU A 43 1.275 -1.619 7.174 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.177 -1.223 6.777 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.590 -2.874 6.811 1.00 0.00 H new ATOM 0 HG LEU A 43 2.586 -0.689 4.964 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.720 -1.951 3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.861 -1.345 4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.389 -3.061 4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.375 -2.491 3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.888 -3.637 5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.819 -2.276 5.488 1.00 0.00 H new ATOM 603 N LEU A 44 1.080 -2.694 9.359 1.00 0.00 N ATOM 604 CA LEU A 44 0.955 -3.512 10.554 1.00 0.00 C ATOM 605 C LEU A 44 1.941 -4.679 10.472 1.00 0.00 C ATOM 606 O LEU A 44 2.334 -5.090 9.381 1.00 0.00 O ATOM 607 CB LEU A 44 -0.497 -3.947 10.757 1.00 0.00 C ATOM 608 CG LEU A 44 -1.169 -3.463 12.043 1.00 0.00 C ATOM 609 CD1 LEU A 44 -2.378 -2.579 11.731 1.00 0.00 C ATOM 610 CD2 LEU A 44 -1.538 -4.641 12.946 1.00 0.00 C ATOM 0 H LEU A 44 0.196 -2.462 8.906 1.00 0.00 H new ATOM 0 HA LEU A 44 1.216 -2.934 11.440 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.083 -3.593 9.909 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.535 -5.036 10.739 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.454 -2.849 12.591 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.837 -2.249 12.663 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.055 -1.710 11.157 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.104 -3.148 11.150 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.014 -4.269 13.853 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.227 -5.301 12.419 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.636 -5.194 13.210 1.00 0.00 H new ATOM 622 N PRO A 45 2.323 -5.194 11.672 1.00 0.00 N ATOM 623 CA PRO A 45 3.255 -6.306 11.746 1.00 0.00 C ATOM 624 C PRO A 45 2.573 -7.620 11.360 1.00 0.00 C ATOM 625 O PRO A 45 2.816 -8.156 10.280 1.00 0.00 O ATOM 626 CB PRO A 45 3.762 -6.299 13.179 1.00 0.00 C ATOM 627 CG PRO A 45 2.756 -5.483 13.974 1.00 0.00 C ATOM 628 CD PRO A 45 1.878 -4.733 12.984 1.00 0.00 C ATOM 0 HA PRO A 45 4.083 -6.208 11.044 1.00 0.00 H new ATOM 0 HB2 PRO A 45 3.839 -7.313 13.571 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.757 -5.858 13.239 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.150 -6.133 14.605 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.268 -4.784 14.635 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.823 -4.953 13.144 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.998 -3.654 13.086 1.00 0.00 H new ATOM 636 N GLY A 46 1.734 -8.102 12.265 1.00 0.00 N ATOM 637 CA GLY A 46 1.015 -9.343 12.032 1.00 0.00 C ATOM 638 C GLY A 46 -0.110 -9.143 11.015 1.00 0.00 C ATOM 639 O GLY A 46 -1.269 -9.445 11.297 1.00 0.00 O ATOM 0 H GLY A 46 1.536 -7.656 13.161 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.706 -10.105 11.670 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.600 -9.709 12.971 1.00 0.00 H new ATOM 643 N SER A 47 0.270 -8.635 9.852 1.00 0.00 N ATOM 644 CA SER A 47 -0.692 -8.391 8.791 1.00 0.00 C ATOM 645 C SER A 47 -0.195 -9.007 7.481 1.00 0.00 C ATOM 646 O SER A 47 0.995 -9.280 7.332 1.00 0.00 O ATOM 647 CB SER A 47 -0.945 -6.893 8.611 1.00 0.00 C ATOM 648 OG SER A 47 0.205 -6.213 8.117 1.00 0.00 O ATOM 0 H SER A 47 1.232 -8.386 9.621 1.00 0.00 H new ATOM 0 HA SER A 47 -1.635 -8.860 9.070 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.777 -6.746 7.922 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.241 -6.458 9.566 1.00 0.00 H new ATOM 0 HG SER A 47 0.845 -6.080 8.847 1.00 0.00 H new ATOM 654 N PRO A 48 -1.156 -9.212 6.541 1.00 0.00 N ATOM 655 CA PRO A 48 -0.828 -9.790 5.249 1.00 0.00 C ATOM 656 C PRO A 48 -0.123 -8.769 4.355 1.00 0.00 C ATOM 657 O PRO A 48 0.777 -9.121 3.593 1.00 0.00 O ATOM 658 CB PRO A 48 -2.156 -10.262 4.680 1.00 0.00 C ATOM 659 CG PRO A 48 -3.230 -9.518 5.458 1.00 0.00 C ATOM 660 CD PRO A 48 -2.575 -8.901 6.683 1.00 0.00 C ATOM 0 HA PRO A 48 -0.126 -10.620 5.326 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.224 -10.044 3.614 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.268 -11.340 4.793 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.684 -8.745 4.838 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.028 -10.199 5.754 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.742 -7.825 6.722 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -2.982 -9.320 7.603 1.00 0.00 H new ATOM 668 N ALA A 49 -0.558 -7.523 4.477 1.00 0.00 N ATOM 669 CA ALA A 49 0.021 -6.448 3.689 1.00 0.00 C ATOM 670 C ALA A 49 1.530 -6.399 3.932 1.00 0.00 C ATOM 671 O ALA A 49 2.307 -6.201 2.998 1.00 0.00 O ATOM 672 CB ALA A 49 -0.670 -5.129 4.040 1.00 0.00 C ATOM 0 H ALA A 49 -1.304 -7.234 5.109 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.135 -6.625 2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.236 -4.322 3.449 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.735 -5.207 3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.532 -4.917 5.100 1.00 0.00 H new ATOM 678 N ALA A 50 1.901 -6.582 5.190 1.00 0.00 N ATOM 679 CA ALA A 50 3.304 -6.560 5.568 1.00 0.00 C ATOM 680 C ALA A 50 3.942 -7.906 5.219 1.00 0.00 C ATOM 681 O ALA A 50 4.995 -7.952 4.585 1.00 0.00 O ATOM 682 CB ALA A 50 3.428 -6.225 7.055 1.00 0.00 C ATOM 0 H ALA A 50 1.254 -6.746 5.961 1.00 0.00 H new ATOM 0 HA ALA A 50 3.838 -5.788 5.015 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.481 -6.209 7.338 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.986 -5.247 7.246 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.906 -6.980 7.643 1.00 0.00 H new ATOM 688 N ALA A 51 3.278 -8.969 5.648 1.00 0.00 N ATOM 689 CA ALA A 51 3.767 -10.313 5.389 1.00 0.00 C ATOM 690 C ALA A 51 4.159 -10.432 3.915 1.00 0.00 C ATOM 691 O ALA A 51 5.134 -11.103 3.580 1.00 0.00 O ATOM 692 CB ALA A 51 2.700 -11.331 5.793 1.00 0.00 C ATOM 0 H ALA A 51 2.405 -8.927 6.174 1.00 0.00 H new ATOM 0 HA ALA A 51 4.656 -10.520 5.985 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.067 -12.339 5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.478 -11.224 6.855 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.793 -11.157 5.214 1.00 0.00 H new ATOM 698 N ASP A 52 3.378 -9.772 3.072 1.00 0.00 N ATOM 699 CA ASP A 52 3.631 -9.796 1.642 1.00 0.00 C ATOM 700 C ASP A 52 5.086 -9.402 1.379 1.00 0.00 C ATOM 701 O ASP A 52 5.851 -10.182 0.813 1.00 0.00 O ATOM 702 CB ASP A 52 2.731 -8.801 0.906 1.00 0.00 C ATOM 703 CG ASP A 52 2.661 -8.990 -0.610 1.00 0.00 C ATOM 704 OD1 ASP A 52 3.518 -9.739 -1.129 1.00 0.00 O ATOM 705 OD2 ASP A 52 1.753 -8.382 -1.217 1.00 0.00 O ATOM 0 H ASP A 52 2.569 -9.217 3.353 1.00 0.00 H new ATOM 0 HA ASP A 52 3.425 -10.804 1.280 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.723 -8.876 1.313 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.084 -7.791 1.115 1.00 0.00 H new ATOM 710 N GLY A 53 5.424 -8.193 1.801 1.00 0.00 N ATOM 711 CA GLY A 53 6.773 -7.686 1.619 1.00 0.00 C ATOM 712 C GLY A 53 6.782 -6.474 0.685 1.00 0.00 C ATOM 713 O GLY A 53 7.157 -5.375 1.092 1.00 0.00 O ATOM 0 H GLY A 53 4.786 -7.549 2.269 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.194 -7.408 2.585 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.408 -8.471 1.208 1.00 0.00 H new ATOM 717 N ARG A 54 6.364 -6.714 -0.549 1.00 0.00 N ATOM 718 CA ARG A 54 6.320 -5.656 -1.543 1.00 0.00 C ATOM 719 C ARG A 54 5.772 -4.369 -0.924 1.00 0.00 C ATOM 720 O ARG A 54 6.466 -3.354 -0.876 1.00 0.00 O ATOM 721 CB ARG A 54 5.443 -6.054 -2.733 1.00 0.00 C ATOM 722 CG ARG A 54 6.049 -5.563 -4.049 1.00 0.00 C ATOM 723 CD ARG A 54 6.233 -4.044 -4.034 1.00 0.00 C ATOM 724 NE ARG A 54 6.827 -3.593 -5.313 1.00 0.00 N ATOM 725 CZ ARG A 54 8.133 -3.666 -5.602 1.00 0.00 C ATOM 726 NH1 ARG A 54 8.990 -4.172 -4.705 1.00 0.00 N ATOM 727 NH2 ARG A 54 8.582 -3.233 -6.788 1.00 0.00 N ATOM 0 H ARG A 54 6.053 -7.626 -0.883 1.00 0.00 H new ATOM 0 HA ARG A 54 7.338 -5.490 -1.895 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.333 -7.138 -2.761 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.444 -5.635 -2.610 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.011 -6.048 -4.214 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.403 -5.847 -4.880 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.272 -3.555 -3.877 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.877 -3.756 -3.203 1.00 0.00 H new ATOM 0 HE ARG A 54 6.203 -3.202 -6.018 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.648 -4.502 -3.802 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.984 -4.228 -4.925 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.929 -2.848 -7.471 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.576 -3.289 -7.008 1.00 0.00 H new ATOM 741 N LEU A 55 4.531 -4.451 -0.466 1.00 0.00 N ATOM 742 CA LEU A 55 3.883 -3.306 0.149 1.00 0.00 C ATOM 743 C LEU A 55 4.891 -2.565 1.030 1.00 0.00 C ATOM 744 O LEU A 55 5.374 -3.112 2.020 1.00 0.00 O ATOM 745 CB LEU A 55 2.619 -3.741 0.893 1.00 0.00 C ATOM 746 CG LEU A 55 1.298 -3.537 0.149 1.00 0.00 C ATOM 747 CD1 LEU A 55 1.429 -3.942 -1.321 1.00 0.00 C ATOM 748 CD2 LEU A 55 0.155 -4.276 0.848 1.00 0.00 C ATOM 0 H LEU A 55 3.957 -5.293 -0.509 1.00 0.00 H new ATOM 0 HA LEU A 55 3.550 -2.603 -0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.713 -4.798 1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.570 -3.195 1.835 1.00 0.00 H new ATOM 0 HG LEU A 55 1.054 -2.475 0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.476 -3.787 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.197 -3.334 -1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.707 -4.994 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.772 -4.114 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.377 -5.343 0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.045 -3.898 1.864 1.00 0.00 H new ATOM 760 N SER A 56 5.179 -1.333 0.637 1.00 0.00 N ATOM 761 CA SER A 56 6.121 -0.512 1.379 1.00 0.00 C ATOM 762 C SER A 56 5.481 0.832 1.729 1.00 0.00 C ATOM 763 O SER A 56 4.488 1.228 1.121 1.00 0.00 O ATOM 764 CB SER A 56 7.409 -0.296 0.582 1.00 0.00 C ATOM 765 OG SER A 56 8.041 -1.527 0.243 1.00 0.00 O ATOM 0 H SER A 56 4.777 -0.883 -0.185 1.00 0.00 H new ATOM 0 HA SER A 56 6.379 -1.034 2.300 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.183 0.258 -0.329 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.097 0.316 1.165 1.00 0.00 H new ATOM 0 HG SER A 56 7.450 -2.049 -0.339 1.00 0.00 H new ATOM 771 N LEU A 57 6.077 1.498 2.708 1.00 0.00 N ATOM 772 CA LEU A 57 5.577 2.790 3.147 1.00 0.00 C ATOM 773 C LEU A 57 5.844 3.831 2.058 1.00 0.00 C ATOM 774 O LEU A 57 6.955 3.917 1.535 1.00 0.00 O ATOM 775 CB LEU A 57 6.168 3.158 4.509 1.00 0.00 C ATOM 776 CG LEU A 57 5.896 2.172 5.647 1.00 0.00 C ATOM 777 CD1 LEU A 57 6.050 2.851 7.009 1.00 0.00 C ATOM 778 CD2 LEU A 57 4.525 1.514 5.486 1.00 0.00 C ATOM 0 H LEU A 57 6.901 1.167 3.209 1.00 0.00 H new ATOM 0 HA LEU A 57 4.498 2.752 3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.247 3.265 4.398 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.779 4.134 4.800 1.00 0.00 H new ATOM 0 HG LEU A 57 6.641 1.378 5.597 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.851 2.128 7.800 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.066 3.232 7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.343 3.677 7.086 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.357 0.818 6.308 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.750 2.281 5.495 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.490 0.974 4.540 1.00 0.00 H new ATOM 790 N GLY A 58 4.808 4.596 1.749 1.00 0.00 N ATOM 791 CA GLY A 58 4.917 5.629 0.732 1.00 0.00 C ATOM 792 C GLY A 58 4.221 5.200 -0.562 1.00 0.00 C ATOM 793 O GLY A 58 3.811 6.042 -1.359 1.00 0.00 O ATOM 0 H GLY A 58 3.889 4.522 2.185 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.472 6.554 1.099 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.968 5.838 0.532 1.00 0.00 H new ATOM 797 N ASP A 59 4.110 3.890 -0.730 1.00 0.00 N ATOM 798 CA ASP A 59 3.471 3.339 -1.913 1.00 0.00 C ATOM 799 C ASP A 59 2.200 4.135 -2.218 1.00 0.00 C ATOM 800 O ASP A 59 1.609 4.736 -1.322 1.00 0.00 O ATOM 801 CB ASP A 59 3.073 1.878 -1.694 1.00 0.00 C ATOM 802 CG ASP A 59 4.200 0.864 -1.901 1.00 0.00 C ATOM 803 OD1 ASP A 59 5.344 1.321 -2.108 1.00 0.00 O ATOM 804 OD2 ASP A 59 3.891 -0.346 -1.847 1.00 0.00 O ATOM 0 H ASP A 59 4.452 3.195 -0.067 1.00 0.00 H new ATOM 0 HA ASP A 59 4.180 3.400 -2.739 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.689 1.770 -0.680 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.256 1.634 -2.372 1.00 0.00 H new ATOM 809 N ARG A 60 1.817 4.113 -3.486 1.00 0.00 N ATOM 810 CA ARG A 60 0.627 4.824 -3.920 1.00 0.00 C ATOM 811 C ARG A 60 -0.372 3.852 -4.553 1.00 0.00 C ATOM 812 O ARG A 60 -0.080 3.236 -5.576 1.00 0.00 O ATOM 813 CB ARG A 60 0.977 5.916 -4.934 1.00 0.00 C ATOM 814 CG ARG A 60 -0.280 6.655 -5.399 1.00 0.00 C ATOM 815 CD ARG A 60 -0.020 7.407 -6.706 1.00 0.00 C ATOM 816 NE ARG A 60 -1.076 8.421 -6.924 1.00 0.00 N ATOM 817 CZ ARG A 60 -1.086 9.288 -7.946 1.00 0.00 C ATOM 818 NH1 ARG A 60 -0.096 9.270 -8.850 1.00 0.00 N ATOM 819 NH2 ARG A 60 -2.085 10.173 -8.065 1.00 0.00 N ATOM 0 H ARG A 60 2.310 3.614 -4.227 1.00 0.00 H new ATOM 0 HA ARG A 60 0.180 5.289 -3.041 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.674 6.624 -4.486 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.481 5.472 -5.793 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.094 5.943 -5.540 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.600 7.357 -4.629 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.957 7.889 -6.670 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.001 6.706 -7.541 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.844 8.463 -6.254 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.665 8.596 -8.760 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.104 9.930 -9.628 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.838 10.187 -7.378 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.092 10.833 -8.843 1.00 0.00 H new ATOM 833 N ILE A 61 -1.529 3.746 -3.917 1.00 0.00 N ATOM 834 CA ILE A 61 -2.572 2.860 -4.404 1.00 0.00 C ATOM 835 C ILE A 61 -3.253 3.499 -5.616 1.00 0.00 C ATOM 836 O ILE A 61 -3.312 4.722 -5.726 1.00 0.00 O ATOM 837 CB ILE A 61 -3.539 2.498 -3.275 1.00 0.00 C ATOM 838 CG1 ILE A 61 -2.779 2.082 -2.014 1.00 0.00 C ATOM 839 CG2 ILE A 61 -4.533 1.426 -3.726 1.00 0.00 C ATOM 840 CD1 ILE A 61 -2.344 0.618 -2.094 1.00 0.00 C ATOM 0 H ILE A 61 -1.767 4.259 -3.068 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.143 1.916 -4.740 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.118 3.387 -3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.904 2.719 -1.886 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.411 2.230 -1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.208 1.187 -2.904 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.109 1.798 -4.573 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.990 0.528 -4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.806 0.348 -1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.223 -0.018 -2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.692 0.479 -2.956 1.00 0.00 H new ATOM 852 N LEU A 62 -3.751 2.641 -6.495 1.00 0.00 N ATOM 853 CA LEU A 62 -4.425 3.107 -7.695 1.00 0.00 C ATOM 854 C LEU A 62 -5.817 2.475 -7.771 1.00 0.00 C ATOM 855 O LEU A 62 -6.796 3.154 -8.075 1.00 0.00 O ATOM 856 CB LEU A 62 -3.563 2.844 -8.931 1.00 0.00 C ATOM 857 CG LEU A 62 -2.109 3.313 -8.846 1.00 0.00 C ATOM 858 CD1 LEU A 62 -1.330 2.916 -10.102 1.00 0.00 C ATOM 859 CD2 LEU A 62 -2.032 4.817 -8.576 1.00 0.00 C ATOM 0 H LEU A 62 -3.701 1.627 -6.400 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.566 4.187 -7.657 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.567 1.773 -9.131 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.032 3.330 -9.787 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.637 2.810 -8.002 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.300 3.261 -10.016 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.341 1.831 -10.209 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.793 3.372 -10.977 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.988 5.124 -8.520 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.526 5.357 -9.383 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.527 5.043 -7.632 1.00 0.00 H new ATOM 871 N GLU A 63 -5.860 1.181 -7.488 1.00 0.00 N ATOM 872 CA GLU A 63 -7.115 0.449 -7.520 1.00 0.00 C ATOM 873 C GLU A 63 -7.277 -0.383 -6.246 1.00 0.00 C ATOM 874 O GLU A 63 -6.308 -0.615 -5.525 1.00 0.00 O ATOM 875 CB GLU A 63 -7.203 -0.433 -8.766 1.00 0.00 C ATOM 876 CG GLU A 63 -7.493 0.406 -10.013 1.00 0.00 C ATOM 877 CD GLU A 63 -7.085 -0.341 -11.284 1.00 0.00 C ATOM 878 OE1 GLU A 63 -7.107 -1.590 -11.240 1.00 0.00 O ATOM 879 OE2 GLU A 63 -6.759 0.354 -12.270 1.00 0.00 O ATOM 0 H GLU A 63 -5.046 0.621 -7.236 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.932 1.169 -7.566 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.267 -0.976 -8.898 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.988 -1.178 -8.634 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.555 0.648 -10.054 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.953 1.351 -9.953 1.00 0.00 H new ATOM 886 N VAL A 64 -8.508 -0.810 -6.009 1.00 0.00 N ATOM 887 CA VAL A 64 -8.809 -1.612 -4.835 1.00 0.00 C ATOM 888 C VAL A 64 -9.860 -2.664 -5.197 1.00 0.00 C ATOM 889 O VAL A 64 -11.017 -2.330 -5.446 1.00 0.00 O ATOM 890 CB VAL A 64 -9.243 -0.706 -3.680 1.00 0.00 C ATOM 891 CG1 VAL A 64 -10.222 -1.431 -2.754 1.00 0.00 C ATOM 892 CG2 VAL A 64 -8.031 -0.191 -2.903 1.00 0.00 C ATOM 0 H VAL A 64 -9.309 -0.616 -6.610 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.920 -2.144 -4.497 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.759 0.155 -4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.515 -0.766 -1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.107 -1.726 -3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.743 -2.319 -2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.367 0.450 -2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.475 -1.035 -2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.386 0.380 -3.571 1.00 0.00 H new ATOM 902 N ASN A 65 -9.418 -3.913 -5.215 1.00 0.00 N ATOM 903 CA ASN A 65 -10.306 -5.016 -5.542 1.00 0.00 C ATOM 904 C ASN A 65 -10.853 -4.821 -6.958 1.00 0.00 C ATOM 905 O ASN A 65 -11.968 -5.244 -7.259 1.00 0.00 O ATOM 906 CB ASN A 65 -11.494 -5.071 -4.580 1.00 0.00 C ATOM 907 CG ASN A 65 -11.206 -6.011 -3.407 1.00 0.00 C ATOM 908 OD1 ASN A 65 -10.476 -6.982 -3.521 1.00 0.00 O ATOM 909 ND2 ASN A 65 -11.819 -5.670 -2.278 1.00 0.00 N ATOM 0 H ASN A 65 -8.457 -4.186 -5.009 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.736 -5.942 -5.464 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.709 -4.071 -4.205 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.383 -5.410 -5.113 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.692 -6.234 -1.438 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.417 -4.844 -2.252 1.00 0.00 H new ATOM 916 N GLY A 66 -10.042 -4.182 -7.789 1.00 0.00 N ATOM 917 CA GLY A 66 -10.431 -3.927 -9.165 1.00 0.00 C ATOM 918 C GLY A 66 -11.450 -2.788 -9.245 1.00 0.00 C ATOM 919 O GLY A 66 -12.400 -2.854 -10.024 1.00 0.00 O ATOM 0 H GLY A 66 -9.118 -3.834 -7.535 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.550 -3.674 -9.755 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.856 -4.831 -9.600 1.00 0.00 H new ATOM 923 N SER A 67 -11.218 -1.771 -8.428 1.00 0.00 N ATOM 924 CA SER A 67 -12.104 -0.620 -8.396 1.00 0.00 C ATOM 925 C SER A 67 -11.288 0.671 -8.483 1.00 0.00 C ATOM 926 O SER A 67 -10.573 1.021 -7.546 1.00 0.00 O ATOM 927 CB SER A 67 -12.964 -0.621 -7.130 1.00 0.00 C ATOM 928 OG SER A 67 -14.355 -0.559 -7.430 1.00 0.00 O ATOM 0 H SER A 67 -10.429 -1.720 -7.783 1.00 0.00 H new ATOM 0 HA SER A 67 -12.772 -0.679 -9.256 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.758 -1.522 -6.552 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.690 0.229 -6.505 1.00 0.00 H new ATOM 0 HG SER A 67 -14.873 -0.723 -6.615 1.00 0.00 H new ATOM 934 N SER A 68 -11.422 1.344 -9.617 1.00 0.00 N ATOM 935 CA SER A 68 -10.706 2.588 -9.838 1.00 0.00 C ATOM 936 C SER A 68 -10.724 3.435 -8.564 1.00 0.00 C ATOM 937 O SER A 68 -11.790 3.740 -8.031 1.00 0.00 O ATOM 938 CB SER A 68 -11.311 3.372 -11.005 1.00 0.00 C ATOM 939 OG SER A 68 -12.628 3.830 -10.714 1.00 0.00 O ATOM 0 H SER A 68 -12.016 1.050 -10.392 1.00 0.00 H new ATOM 0 HA SER A 68 -9.674 2.348 -10.093 1.00 0.00 H new ATOM 0 HB2 SER A 68 -10.674 4.225 -11.238 1.00 0.00 H new ATOM 0 HB3 SER A 68 -11.335 2.740 -11.893 1.00 0.00 H new ATOM 0 HG SER A 68 -12.743 3.900 -9.743 1.00 0.00 H new ATOM 945 N LEU A 69 -9.530 3.792 -8.112 1.00 0.00 N ATOM 946 CA LEU A 69 -9.395 4.598 -6.911 1.00 0.00 C ATOM 947 C LEU A 69 -9.056 6.038 -7.304 1.00 0.00 C ATOM 948 O LEU A 69 -9.661 6.982 -6.797 1.00 0.00 O ATOM 949 CB LEU A 69 -8.382 3.967 -5.954 1.00 0.00 C ATOM 950 CG LEU A 69 -8.685 4.118 -4.462 1.00 0.00 C ATOM 951 CD1 LEU A 69 -10.043 3.506 -4.113 1.00 0.00 C ATOM 952 CD2 LEU A 69 -7.557 3.532 -3.611 1.00 0.00 C ATOM 0 H LEU A 69 -8.648 3.538 -8.556 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.338 4.630 -6.365 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.308 2.904 -6.184 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.404 4.405 -6.152 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.743 5.182 -4.232 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.233 3.627 -3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.826 4.009 -4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.039 2.445 -4.363 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.798 3.653 -2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.443 2.472 -3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.626 4.053 -3.833 1.00 0.00 H new ATOM 964 N LEU A 70 -8.090 6.161 -8.202 1.00 0.00 N ATOM 965 CA LEU A 70 -7.664 7.469 -8.668 1.00 0.00 C ATOM 966 C LEU A 70 -8.895 8.340 -8.925 1.00 0.00 C ATOM 967 O LEU A 70 -9.648 8.095 -9.866 1.00 0.00 O ATOM 968 CB LEU A 70 -6.744 7.332 -9.883 1.00 0.00 C ATOM 969 CG LEU A 70 -5.247 7.496 -9.612 1.00 0.00 C ATOM 970 CD1 LEU A 70 -4.419 7.047 -10.818 1.00 0.00 C ATOM 971 CD2 LEU A 70 -4.920 8.931 -9.195 1.00 0.00 C ATOM 0 H LEU A 70 -7.590 5.376 -8.619 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.071 7.971 -7.903 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.907 6.351 -10.329 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.042 8.073 -10.625 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.978 6.848 -8.778 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.359 7.174 -10.599 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.623 5.997 -11.029 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.685 7.650 -11.686 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.850 9.021 -9.008 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.208 9.616 -9.992 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.469 9.180 -8.287 1.00 0.00 H new ATOM 983 N GLY A 71 -9.061 9.340 -8.072 1.00 0.00 N ATOM 984 CA GLY A 71 -10.188 10.249 -8.195 1.00 0.00 C ATOM 985 C GLY A 71 -11.234 9.975 -7.112 1.00 0.00 C ATOM 986 O GLY A 71 -11.650 10.888 -6.400 1.00 0.00 O ATOM 0 H GLY A 71 -8.434 9.541 -7.293 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.839 11.279 -8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.642 10.140 -9.180 1.00 0.00 H new ATOM 990 N LEU A 72 -11.630 8.714 -7.022 1.00 0.00 N ATOM 991 CA LEU A 72 -12.620 8.308 -6.039 1.00 0.00 C ATOM 992 C LEU A 72 -12.309 8.983 -4.701 1.00 0.00 C ATOM 993 O LEU A 72 -11.193 8.882 -4.195 1.00 0.00 O ATOM 994 CB LEU A 72 -12.697 6.782 -5.954 1.00 0.00 C ATOM 995 CG LEU A 72 -14.014 6.151 -6.411 1.00 0.00 C ATOM 996 CD1 LEU A 72 -14.024 4.646 -6.137 1.00 0.00 C ATOM 997 CD2 LEU A 72 -15.211 6.858 -5.772 1.00 0.00 C ATOM 0 H LEU A 72 -11.283 7.959 -7.614 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.614 8.638 -6.341 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.889 6.363 -6.554 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.514 6.486 -4.921 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.100 6.283 -7.490 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -14.971 4.222 -6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.204 4.172 -6.677 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.905 4.470 -5.068 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -16.135 6.390 -6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -15.144 6.779 -4.687 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -15.209 7.909 -6.060 1.00 0.00 H new ATOM 1009 N GLY A 73 -13.317 9.657 -4.167 1.00 0.00 N ATOM 1010 CA GLY A 73 -13.166 10.348 -2.898 1.00 0.00 C ATOM 1011 C GLY A 73 -12.479 9.453 -1.864 1.00 0.00 C ATOM 1012 O GLY A 73 -12.778 8.263 -1.771 1.00 0.00 O ATOM 0 H GLY A 73 -14.241 9.739 -4.590 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.582 11.257 -3.042 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.145 10.653 -2.527 1.00 0.00 H new ATOM 1016 N TYR A 74 -11.571 10.060 -1.113 1.00 0.00 N ATOM 1017 CA TYR A 74 -10.839 9.333 -0.090 1.00 0.00 C ATOM 1018 C TYR A 74 -11.744 8.321 0.617 1.00 0.00 C ATOM 1019 O TYR A 74 -11.390 7.150 0.744 1.00 0.00 O ATOM 1020 CB TYR A 74 -10.378 10.382 0.923 1.00 0.00 C ATOM 1021 CG TYR A 74 -9.853 9.792 2.234 1.00 0.00 C ATOM 1022 CD1 TYR A 74 -10.738 9.425 3.228 1.00 0.00 C ATOM 1023 CD2 TYR A 74 -8.496 9.627 2.423 1.00 0.00 C ATOM 1024 CE1 TYR A 74 -10.245 8.870 4.462 1.00 0.00 C ATOM 1025 CE2 TYR A 74 -8.003 9.072 3.656 1.00 0.00 C ATOM 1026 CZ TYR A 74 -8.901 8.721 4.615 1.00 0.00 C ATOM 1027 OH TYR A 74 -8.435 8.196 5.780 1.00 0.00 O ATOM 0 H TYR A 74 -11.326 11.047 -1.193 1.00 0.00 H new ATOM 0 HA TYR A 74 -10.007 8.783 -0.530 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.594 10.990 0.470 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -11.211 11.049 1.144 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.800 9.554 3.080 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.804 9.914 1.645 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.926 8.579 5.248 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -6.943 8.937 3.816 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.457 8.147 5.749 1.00 0.00 H new ATOM 1037 N LEU A 75 -12.893 8.811 1.058 1.00 0.00 N ATOM 1038 CA LEU A 75 -13.851 7.964 1.749 1.00 0.00 C ATOM 1039 C LEU A 75 -14.192 6.762 0.866 1.00 0.00 C ATOM 1040 O LEU A 75 -13.999 5.616 1.270 1.00 0.00 O ATOM 1041 CB LEU A 75 -15.073 8.778 2.179 1.00 0.00 C ATOM 1042 CG LEU A 75 -14.929 9.566 3.483 1.00 0.00 C ATOM 1043 CD1 LEU A 75 -15.992 10.662 3.581 1.00 0.00 C ATOM 1044 CD2 LEU A 75 -14.956 8.631 4.694 1.00 0.00 C ATOM 0 H LEU A 75 -13.182 9.783 0.951 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.419 7.571 2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -15.318 9.478 1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.920 8.099 2.279 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.957 10.060 3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.868 11.207 4.517 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -15.883 11.350 2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -16.984 10.211 3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.852 9.216 5.608 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.902 8.090 4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.133 7.920 4.623 1.00 0.00 H new ATOM 1056 N ARG A 76 -14.694 7.064 -0.322 1.00 0.00 N ATOM 1057 CA ARG A 76 -15.064 6.023 -1.265 1.00 0.00 C ATOM 1058 C ARG A 76 -13.950 4.979 -1.367 1.00 0.00 C ATOM 1059 O ARG A 76 -14.218 3.778 -1.370 1.00 0.00 O ATOM 1060 CB ARG A 76 -15.334 6.607 -2.653 1.00 0.00 C ATOM 1061 CG ARG A 76 -16.830 6.596 -2.971 1.00 0.00 C ATOM 1062 CD ARG A 76 -17.334 5.168 -3.189 1.00 0.00 C ATOM 1063 NE ARG A 76 -18.186 5.111 -4.398 1.00 0.00 N ATOM 1064 CZ ARG A 76 -18.742 3.988 -4.874 1.00 0.00 C ATOM 1065 NH1 ARG A 76 -18.538 2.822 -4.246 1.00 0.00 N ATOM 1066 NH2 ARG A 76 -19.500 4.032 -5.977 1.00 0.00 N ATOM 0 H ARG A 76 -14.853 8.015 -0.653 1.00 0.00 H new ATOM 0 HA ARG A 76 -15.976 5.552 -0.898 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.956 7.628 -2.702 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.795 6.031 -3.405 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -17.382 7.060 -2.154 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -17.020 7.193 -3.863 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -16.489 4.488 -3.297 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -17.901 4.837 -2.319 1.00 0.00 H new ATOM 0 HE ARG A 76 -18.361 5.981 -4.901 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -17.960 2.789 -3.406 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -18.961 1.967 -4.608 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -19.654 4.920 -6.455 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -19.923 3.178 -6.339 1.00 0.00 H new ATOM 1080 N ALA A 77 -12.724 5.474 -1.447 1.00 0.00 N ATOM 1081 CA ALA A 77 -11.568 4.599 -1.548 1.00 0.00 C ATOM 1082 C ALA A 77 -11.481 3.729 -0.293 1.00 0.00 C ATOM 1083 O ALA A 77 -11.229 2.528 -0.382 1.00 0.00 O ATOM 1084 CB ALA A 77 -10.308 5.440 -1.763 1.00 0.00 C ATOM 0 H ALA A 77 -12.506 6.470 -1.444 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.665 3.932 -2.405 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.441 4.784 -1.839 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.408 6.017 -2.683 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.176 6.120 -0.921 1.00 0.00 H new ATOM 1090 N VAL A 78 -11.695 4.368 0.848 1.00 0.00 N ATOM 1091 CA VAL A 78 -11.644 3.667 2.119 1.00 0.00 C ATOM 1092 C VAL A 78 -12.762 2.625 2.168 1.00 0.00 C ATOM 1093 O VAL A 78 -12.520 1.464 2.494 1.00 0.00 O ATOM 1094 CB VAL A 78 -11.711 4.671 3.273 1.00 0.00 C ATOM 1095 CG1 VAL A 78 -11.652 3.956 4.625 1.00 0.00 C ATOM 1096 CG2 VAL A 78 -10.601 5.717 3.155 1.00 0.00 C ATOM 0 H VAL A 78 -11.904 5.364 0.918 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.699 3.134 2.223 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.667 5.191 3.211 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.701 4.691 5.428 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.494 3.269 4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.719 3.398 4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.671 6.418 3.987 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.630 5.222 3.179 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.709 6.258 2.215 1.00 0.00 H new ATOM 1106 N ASP A 79 -13.963 3.076 1.837 1.00 0.00 N ATOM 1107 CA ASP A 79 -15.120 2.197 1.839 1.00 0.00 C ATOM 1108 C ASP A 79 -14.807 0.948 1.013 1.00 0.00 C ATOM 1109 O ASP A 79 -15.088 -0.171 1.441 1.00 0.00 O ATOM 1110 CB ASP A 79 -16.335 2.884 1.214 1.00 0.00 C ATOM 1111 CG ASP A 79 -17.655 2.668 1.958 1.00 0.00 C ATOM 1112 OD1 ASP A 79 -17.645 2.850 3.195 1.00 0.00 O ATOM 1113 OD2 ASP A 79 -18.643 2.326 1.274 1.00 0.00 O ATOM 0 H ASP A 79 -14.160 4.039 1.565 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.345 1.938 2.874 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -16.139 3.955 1.157 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.449 2.526 0.191 1.00 0.00 H new ATOM 1118 N LEU A 80 -14.228 1.180 -0.156 1.00 0.00 N ATOM 1119 CA LEU A 80 -13.874 0.087 -1.046 1.00 0.00 C ATOM 1120 C LEU A 80 -13.160 -1.004 -0.247 1.00 0.00 C ATOM 1121 O LEU A 80 -13.585 -2.158 -0.248 1.00 0.00 O ATOM 1122 CB LEU A 80 -13.065 0.607 -2.236 1.00 0.00 C ATOM 1123 CG LEU A 80 -13.873 1.237 -3.373 1.00 0.00 C ATOM 1124 CD1 LEU A 80 -12.956 1.954 -4.366 1.00 0.00 C ATOM 1125 CD2 LEU A 80 -14.758 0.195 -4.059 1.00 0.00 C ATOM 0 H LEU A 80 -13.995 2.109 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.770 -0.364 -1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.353 1.346 -1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.484 -0.220 -2.644 1.00 0.00 H new ATOM 0 HG LEU A 80 -14.535 1.990 -2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -13.556 2.393 -5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -12.406 2.741 -3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.252 1.239 -4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -15.321 0.669 -4.863 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.134 -0.598 -4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.450 -0.230 -3.332 1.00 0.00 H new ATOM 1137 N ILE A 81 -12.086 -0.601 0.416 1.00 0.00 N ATOM 1138 CA ILE A 81 -11.308 -1.530 1.218 1.00 0.00 C ATOM 1139 C ILE A 81 -12.154 -2.009 2.400 1.00 0.00 C ATOM 1140 O ILE A 81 -12.188 -3.201 2.702 1.00 0.00 O ATOM 1141 CB ILE A 81 -9.977 -0.899 1.631 1.00 0.00 C ATOM 1142 CG1 ILE A 81 -9.033 -0.779 0.433 1.00 0.00 C ATOM 1143 CG2 ILE A 81 -9.340 -1.670 2.788 1.00 0.00 C ATOM 1144 CD1 ILE A 81 -8.985 0.659 -0.086 1.00 0.00 C ATOM 0 H ILE A 81 -11.736 0.357 0.414 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.048 -2.412 0.633 1.00 0.00 H new ATOM 0 HB ILE A 81 -10.174 0.112 1.988 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -8.032 -1.099 0.721 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.364 -1.446 -0.363 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.395 -1.200 3.062 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -10.012 -1.660 3.646 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.158 -2.700 2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.307 0.716 -0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.983 0.967 -0.396 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -8.631 1.320 0.705 1.00 0.00 H new ATOM 1156 N ARG A 82 -12.817 -1.055 3.037 1.00 0.00 N ATOM 1157 CA ARG A 82 -13.660 -1.364 4.179 1.00 0.00 C ATOM 1158 C ARG A 82 -14.499 -2.612 3.897 1.00 0.00 C ATOM 1159 O ARG A 82 -14.509 -3.550 4.693 1.00 0.00 O ATOM 1160 CB ARG A 82 -14.592 -0.195 4.508 1.00 0.00 C ATOM 1161 CG ARG A 82 -13.799 1.013 5.010 1.00 0.00 C ATOM 1162 CD ARG A 82 -14.396 1.559 6.309 1.00 0.00 C ATOM 1163 NE ARG A 82 -13.869 0.801 7.466 1.00 0.00 N ATOM 1164 CZ ARG A 82 -14.370 0.880 8.706 1.00 0.00 C ATOM 1165 NH1 ARG A 82 -15.413 1.683 8.958 1.00 0.00 N ATOM 1166 NH2 ARG A 82 -13.828 0.155 9.695 1.00 0.00 N ATOM 0 H ARG A 82 -12.787 -0.067 2.784 1.00 0.00 H new ATOM 0 HA ARG A 82 -13.008 -1.546 5.033 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.161 0.082 3.621 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.313 -0.502 5.266 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -12.760 0.728 5.175 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.798 1.794 4.249 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.152 2.616 6.415 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.483 1.484 6.279 1.00 0.00 H new ATOM 0 HE ARG A 82 -13.075 0.180 7.310 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -15.826 2.234 8.206 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -15.794 1.743 9.902 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -13.034 -0.456 9.503 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -14.209 0.215 10.639 1.00 0.00 H new ATOM 1180 N HIS A 83 -15.182 -2.583 2.762 1.00 0.00 N ATOM 1181 CA HIS A 83 -16.022 -3.700 2.366 1.00 0.00 C ATOM 1182 C HIS A 83 -15.209 -4.674 1.510 1.00 0.00 C ATOM 1183 O HIS A 83 -15.738 -5.274 0.575 1.00 0.00 O ATOM 1184 CB HIS A 83 -17.287 -3.206 1.662 1.00 0.00 C ATOM 1185 CG HIS A 83 -18.050 -2.157 2.435 1.00 0.00 C ATOM 1186 ND1 HIS A 83 -18.885 -2.272 3.508 1.00 0.00 N flip ATOM 1187 CD2 HIS A 83 -17.997 -0.810 2.124 1.00 0.00 C flip ATOM 1188 CE1 HIS A 83 -19.317 -1.061 3.836 1.00 0.00 C flip ATOM 1189 NE2 HIS A 83 -18.768 -0.153 2.979 1.00 0.00 N flip ATOM 0 H HIS A 83 -15.171 -1.803 2.104 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.357 -4.240 3.252 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -17.013 -2.798 0.689 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -17.944 -4.056 1.478 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -19.135 -3.142 3.978 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -17.425 -0.369 1.321 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -19.992 -0.832 4.648 1.00 0.00 H new ATOM 1197 N GLY A 84 -13.938 -4.801 1.861 1.00 0.00 N ATOM 1198 CA GLY A 84 -13.048 -5.692 1.136 1.00 0.00 C ATOM 1199 C GLY A 84 -12.468 -6.762 2.064 1.00 0.00 C ATOM 1200 O GLY A 84 -11.580 -6.478 2.866 1.00 0.00 O ATOM 0 H GLY A 84 -13.503 -4.302 2.637 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.591 -6.169 0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.238 -5.117 0.687 1.00 0.00 H new ATOM 1204 N GLY A 85 -12.995 -7.969 1.925 1.00 0.00 N ATOM 1205 CA GLY A 85 -12.542 -9.083 2.740 1.00 0.00 C ATOM 1206 C GLY A 85 -12.250 -10.312 1.877 1.00 0.00 C ATOM 1207 O GLY A 85 -12.457 -10.287 0.665 1.00 0.00 O ATOM 0 H GLY A 85 -13.732 -8.200 1.259 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.643 -8.796 3.286 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.302 -9.328 3.482 1.00 0.00 H new ATOM 1211 N LYS A 86 -11.773 -11.358 2.535 1.00 0.00 N ATOM 1212 CA LYS A 86 -11.451 -12.595 1.843 1.00 0.00 C ATOM 1213 C LYS A 86 -10.302 -12.342 0.866 1.00 0.00 C ATOM 1214 O LYS A 86 -9.155 -12.687 1.147 1.00 0.00 O ATOM 1215 CB LYS A 86 -12.701 -13.182 1.185 1.00 0.00 C ATOM 1216 CG LYS A 86 -13.072 -14.526 1.813 1.00 0.00 C ATOM 1217 CD LYS A 86 -14.398 -15.045 1.255 1.00 0.00 C ATOM 1218 CE LYS A 86 -15.056 -16.027 2.227 1.00 0.00 C ATOM 1219 NZ LYS A 86 -15.590 -17.199 1.497 1.00 0.00 N ATOM 0 H LYS A 86 -11.602 -11.375 3.540 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.108 -13.350 2.550 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.533 -12.485 1.290 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.527 -13.311 0.117 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -12.283 -15.252 1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -13.146 -14.418 2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -15.070 -14.208 1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -14.226 -15.536 0.297 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.329 -16.354 2.970 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.862 -15.529 2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.033 -17.855 2.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.299 -16.883 0.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.814 -17.683 1.002 1.00 0.00 H new ATOM 1233 N LYS A 87 -10.648 -11.740 -0.263 1.00 0.00 N ATOM 1234 CA LYS A 87 -9.660 -11.437 -1.284 1.00 0.00 C ATOM 1235 C LYS A 87 -9.576 -9.921 -1.472 1.00 0.00 C ATOM 1236 O LYS A 87 -10.553 -9.287 -1.868 1.00 0.00 O ATOM 1237 CB LYS A 87 -9.970 -12.201 -2.573 1.00 0.00 C ATOM 1238 CG LYS A 87 -8.997 -13.366 -2.767 1.00 0.00 C ATOM 1239 CD LYS A 87 -9.332 -14.155 -4.035 1.00 0.00 C ATOM 1240 CE LYS A 87 -9.977 -15.498 -3.690 1.00 0.00 C ATOM 1241 NZ LYS A 87 -9.919 -16.414 -4.850 1.00 0.00 N ATOM 0 H LYS A 87 -11.600 -11.454 -0.493 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.672 -11.775 -0.971 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.992 -12.578 -2.540 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.907 -11.524 -3.425 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.977 -12.986 -2.829 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.038 -14.027 -1.901 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.008 -13.573 -4.662 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.424 -14.322 -4.615 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.464 -15.946 -2.839 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.014 -15.344 -3.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.361 -17.321 -4.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.428 -15.991 -5.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.927 -16.575 -5.116 1.00 0.00 H new ATOM 1255 N MET A 88 -8.401 -9.385 -1.181 1.00 0.00 N ATOM 1256 CA MET A 88 -8.177 -7.955 -1.313 1.00 0.00 C ATOM 1257 C MET A 88 -7.061 -7.666 -2.320 1.00 0.00 C ATOM 1258 O MET A 88 -5.925 -8.101 -2.135 1.00 0.00 O ATOM 1259 CB MET A 88 -7.800 -7.369 0.049 1.00 0.00 C ATOM 1260 CG MET A 88 -9.019 -7.299 0.971 1.00 0.00 C ATOM 1261 SD MET A 88 -9.317 -5.608 1.461 1.00 0.00 S ATOM 1262 CE MET A 88 -9.543 -4.856 -0.141 1.00 0.00 C ATOM 0 H MET A 88 -7.593 -9.915 -0.854 1.00 0.00 H new ATOM 0 HA MET A 88 -9.096 -7.494 -1.675 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.025 -7.981 0.510 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.382 -6.371 -0.083 1.00 0.00 H new ATOM 0 HG2 MET A 88 -9.895 -7.698 0.460 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.855 -7.918 1.853 1.00 0.00 H new ATOM 0 HE1 MET A 88 -9.119 -3.852 -0.135 1.00 0.00 H new ATOM 0 HE2 MET A 88 -9.041 -5.457 -0.899 1.00 0.00 H new ATOM 0 HE3 MET A 88 -10.607 -4.799 -0.369 1.00 0.00 H new ATOM 1272 N ARG A 89 -7.424 -6.933 -3.362 1.00 0.00 N ATOM 1273 CA ARG A 89 -6.468 -6.581 -4.398 1.00 0.00 C ATOM 1274 C ARG A 89 -6.251 -5.066 -4.427 1.00 0.00 C ATOM 1275 O ARG A 89 -7.182 -4.298 -4.189 1.00 0.00 O ATOM 1276 CB ARG A 89 -6.949 -7.047 -5.773 1.00 0.00 C ATOM 1277 CG ARG A 89 -5.880 -6.802 -6.840 1.00 0.00 C ATOM 1278 CD ARG A 89 -6.423 -7.102 -8.239 1.00 0.00 C ATOM 1279 NE ARG A 89 -6.048 -8.475 -8.644 1.00 0.00 N ATOM 1280 CZ ARG A 89 -6.020 -8.903 -9.913 1.00 0.00 C ATOM 1281 NH1 ARG A 89 -6.343 -8.067 -10.909 1.00 0.00 N ATOM 1282 NH2 ARG A 89 -5.668 -10.167 -10.186 1.00 0.00 N ATOM 0 H ARG A 89 -8.367 -6.573 -3.511 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.528 -7.082 -4.166 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.194 -8.108 -5.736 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.863 -6.518 -6.041 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -5.543 -5.767 -6.791 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -5.011 -7.430 -6.641 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -7.508 -6.995 -8.248 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -6.026 -6.382 -8.954 1.00 0.00 H new ATOM 0 HE ARG A 89 -5.795 -9.137 -7.911 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.610 -7.105 -10.701 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.322 -8.393 -11.875 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -5.422 -10.803 -9.428 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.647 -10.493 -11.152 1.00 0.00 H new ATOM 1296 N PHE A 90 -5.018 -4.682 -4.722 1.00 0.00 N ATOM 1297 CA PHE A 90 -4.668 -3.274 -4.786 1.00 0.00 C ATOM 1298 C PHE A 90 -3.640 -3.014 -5.889 1.00 0.00 C ATOM 1299 O PHE A 90 -2.707 -3.795 -6.069 1.00 0.00 O ATOM 1300 CB PHE A 90 -4.053 -2.904 -3.435 1.00 0.00 C ATOM 1301 CG PHE A 90 -4.879 -3.358 -2.230 1.00 0.00 C ATOM 1302 CD1 PHE A 90 -6.032 -2.710 -1.913 1.00 0.00 C ATOM 1303 CD2 PHE A 90 -4.461 -4.410 -1.476 1.00 0.00 C ATOM 1304 CE1 PHE A 90 -6.799 -3.132 -0.795 1.00 0.00 C ATOM 1305 CE2 PHE A 90 -5.228 -4.831 -0.357 1.00 0.00 C ATOM 1306 CZ PHE A 90 -6.381 -4.183 -0.041 1.00 0.00 C ATOM 0 H PHE A 90 -4.249 -5.322 -4.919 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.555 -2.680 -5.006 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -3.058 -3.345 -3.367 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.926 -1.822 -3.389 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.364 -1.875 -2.512 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.546 -4.925 -1.728 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -7.715 -2.618 -0.544 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.896 -5.665 0.243 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.965 -4.503 0.809 1.00 0.00 H new ATOM 1316 N LEU A 91 -3.846 -1.914 -6.598 1.00 0.00 N ATOM 1317 CA LEU A 91 -2.949 -1.541 -7.679 1.00 0.00 C ATOM 1318 C LEU A 91 -2.033 -0.409 -7.208 1.00 0.00 C ATOM 1319 O LEU A 91 -2.366 0.765 -7.356 1.00 0.00 O ATOM 1320 CB LEU A 91 -3.742 -1.205 -8.943 1.00 0.00 C ATOM 1321 CG LEU A 91 -2.933 -1.109 -10.238 1.00 0.00 C ATOM 1322 CD1 LEU A 91 -2.098 -2.372 -10.457 1.00 0.00 C ATOM 1323 CD2 LEU A 91 -3.842 -0.809 -11.431 1.00 0.00 C ATOM 0 H LEU A 91 -4.621 -1.269 -6.445 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.307 -2.380 -7.948 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.514 -1.963 -9.076 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.252 -0.255 -8.786 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.237 -0.275 -10.146 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.533 -2.278 -11.384 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.408 -2.501 -9.623 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.757 -3.238 -10.520 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.242 -0.746 -12.339 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.578 -1.606 -11.537 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.355 0.139 -11.268 1.00 0.00 H new ATOM 1335 N VAL A 92 -0.897 -0.803 -6.651 1.00 0.00 N ATOM 1336 CA VAL A 92 0.069 0.164 -6.157 1.00 0.00 C ATOM 1337 C VAL A 92 1.254 0.232 -7.123 1.00 0.00 C ATOM 1338 O VAL A 92 1.757 -0.798 -7.567 1.00 0.00 O ATOM 1339 CB VAL A 92 0.482 -0.192 -4.728 1.00 0.00 C ATOM 1340 CG1 VAL A 92 0.311 -1.689 -4.464 1.00 0.00 C ATOM 1341 CG2 VAL A 92 1.917 0.255 -4.445 1.00 0.00 C ATOM 0 H VAL A 92 -0.624 -1.778 -6.531 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.374 1.159 -6.114 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.177 0.345 -4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.612 -1.915 -3.441 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.734 -1.966 -4.605 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.933 -2.254 -5.158 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.186 -0.010 -3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.596 -0.241 -5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.993 1.335 -4.572 1.00 0.00 H new ATOM 1351 N ALA A 93 1.666 1.456 -7.418 1.00 0.00 N ATOM 1352 CA ALA A 93 2.782 1.673 -8.322 1.00 0.00 C ATOM 1353 C ALA A 93 4.091 1.620 -7.531 1.00 0.00 C ATOM 1354 O ALA A 93 4.081 1.398 -6.322 1.00 0.00 O ATOM 1355 CB ALA A 93 2.597 3.003 -9.054 1.00 0.00 C ATOM 0 H ALA A 93 1.246 2.308 -7.047 1.00 0.00 H new ATOM 0 HA ALA A 93 2.821 0.889 -9.078 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.435 3.165 -9.732 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.668 2.978 -9.624 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.556 3.815 -8.328 1.00 0.00 H new ATOM 1361 N LYS A 94 5.187 1.828 -8.247 1.00 0.00 N ATOM 1362 CA LYS A 94 6.501 1.807 -7.627 1.00 0.00 C ATOM 1363 C LYS A 94 6.817 3.195 -7.065 1.00 0.00 C ATOM 1364 O LYS A 94 7.231 4.088 -7.803 1.00 0.00 O ATOM 1365 CB LYS A 94 7.550 1.289 -8.613 1.00 0.00 C ATOM 1366 CG LYS A 94 8.019 -0.115 -8.226 1.00 0.00 C ATOM 1367 CD LYS A 94 9.127 -0.053 -7.173 1.00 0.00 C ATOM 1368 CE LYS A 94 10.436 0.451 -7.783 1.00 0.00 C ATOM 1369 NZ LYS A 94 11.516 -0.542 -7.584 1.00 0.00 N ATOM 0 H LYS A 94 5.192 2.012 -9.250 1.00 0.00 H new ATOM 0 HA LYS A 94 6.516 1.112 -6.788 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.132 1.272 -9.619 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.402 1.968 -8.633 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.177 -0.690 -7.840 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.382 -0.638 -9.111 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.824 0.606 -6.359 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.280 -1.042 -6.742 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.299 0.640 -8.848 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.717 1.399 -7.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.398 -0.185 -8.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.657 -0.702 -6.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.253 -1.438 -8.042 1.00 0.00 H new ATOM 1383 N SER A 95 6.609 3.333 -5.764 1.00 0.00 N ATOM 1384 CA SER A 95 6.867 4.597 -5.095 1.00 0.00 C ATOM 1385 C SER A 95 8.373 4.859 -5.035 1.00 0.00 C ATOM 1386 O SER A 95 9.174 3.963 -5.296 1.00 0.00 O ATOM 1387 CB SER A 95 6.270 4.606 -3.687 1.00 0.00 C ATOM 1388 OG SER A 95 5.043 5.329 -3.632 1.00 0.00 O ATOM 0 H SER A 95 6.265 2.591 -5.155 1.00 0.00 H new ATOM 0 HA SER A 95 6.389 5.392 -5.668 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.102 3.581 -3.358 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.984 5.050 -2.993 1.00 0.00 H new ATOM 0 HG SER A 95 4.977 5.797 -2.774 1.00 0.00 H new ATOM 1394 N ASP A 96 8.714 6.092 -4.689 1.00 0.00 N ATOM 1395 CA ASP A 96 10.109 6.484 -4.591 1.00 0.00 C ATOM 1396 C ASP A 96 10.414 6.914 -3.154 1.00 0.00 C ATOM 1397 O ASP A 96 9.511 7.294 -2.411 1.00 0.00 O ATOM 1398 CB ASP A 96 10.416 7.665 -5.513 1.00 0.00 C ATOM 1399 CG ASP A 96 9.860 7.538 -6.933 1.00 0.00 C ATOM 1400 OD1 ASP A 96 10.390 6.683 -7.675 1.00 0.00 O ATOM 1401 OD2 ASP A 96 8.918 8.298 -7.244 1.00 0.00 O ATOM 0 H ASP A 96 8.047 6.833 -4.473 1.00 0.00 H new ATOM 0 HA ASP A 96 10.720 5.630 -4.884 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.015 8.573 -5.062 1.00 0.00 H new ATOM 0 HB3 ASP A 96 11.497 7.789 -5.572 1.00 0.00 H new ATOM 1406 N VAL A 97 11.691 6.841 -2.807 1.00 0.00 N ATOM 1407 CA VAL A 97 12.126 7.218 -1.473 1.00 0.00 C ATOM 1408 C VAL A 97 11.536 8.584 -1.116 1.00 0.00 C ATOM 1409 O VAL A 97 10.838 8.719 -0.113 1.00 0.00 O ATOM 1410 CB VAL A 97 13.654 7.187 -1.393 1.00 0.00 C ATOM 1411 CG1 VAL A 97 14.275 8.165 -2.392 1.00 0.00 C ATOM 1412 CG2 VAL A 97 14.134 7.478 0.031 1.00 0.00 C ATOM 0 H VAL A 97 12.438 6.526 -3.426 1.00 0.00 H new ATOM 0 HA VAL A 97 11.761 6.503 -0.736 1.00 0.00 H new ATOM 0 HB VAL A 97 13.984 6.183 -1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 97 15.361 8.123 -2.315 1.00 0.00 H new ATOM 0 HG12 VAL A 97 13.973 7.893 -3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 97 13.934 9.176 -2.171 1.00 0.00 H new ATOM 0 HG21 VAL A 97 15.223 7.450 0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 97 13.788 8.465 0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 97 13.733 6.726 0.711 1.00 0.00 H new ATOM 1422 N GLU A 98 11.839 9.562 -1.957 1.00 0.00 N ATOM 1423 CA GLU A 98 11.348 10.912 -1.743 1.00 0.00 C ATOM 1424 C GLU A 98 9.860 10.885 -1.386 1.00 0.00 C ATOM 1425 O GLU A 98 9.461 11.386 -0.335 1.00 0.00 O ATOM 1426 CB GLU A 98 11.601 11.789 -2.971 1.00 0.00 C ATOM 1427 CG GLU A 98 13.081 12.161 -3.083 1.00 0.00 C ATOM 1428 CD GLU A 98 13.322 13.597 -2.615 1.00 0.00 C ATOM 1429 OE1 GLU A 98 12.922 14.514 -3.365 1.00 0.00 O ATOM 1430 OE2 GLU A 98 13.901 13.747 -1.517 1.00 0.00 O ATOM 0 H GLU A 98 12.419 9.446 -2.788 1.00 0.00 H new ATOM 0 HA GLU A 98 11.895 11.348 -0.907 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.286 11.261 -3.871 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.998 12.695 -2.906 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.679 11.474 -2.484 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.410 12.051 -4.116 1.00 0.00 H new ATOM 1437 N THR A 99 9.080 10.296 -2.280 1.00 0.00 N ATOM 1438 CA THR A 99 7.645 10.198 -2.072 1.00 0.00 C ATOM 1439 C THR A 99 7.345 9.695 -0.659 1.00 0.00 C ATOM 1440 O THR A 99 6.506 10.263 0.040 1.00 0.00 O ATOM 1441 CB THR A 99 7.069 9.302 -3.171 1.00 0.00 C ATOM 1442 OG1 THR A 99 6.896 10.180 -4.279 1.00 0.00 O ATOM 1443 CG2 THR A 99 5.652 8.821 -2.851 1.00 0.00 C ATOM 0 H THR A 99 9.414 9.882 -3.150 1.00 0.00 H new ATOM 0 HA THR A 99 7.166 11.175 -2.144 1.00 0.00 H new ATOM 0 HB THR A 99 7.721 8.440 -3.316 1.00 0.00 H new ATOM 0 HG1 THR A 99 6.528 9.681 -5.038 1.00 0.00 H new ATOM 0 HG21 THR A 99 5.290 8.189 -3.662 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.663 8.249 -1.923 1.00 0.00 H new ATOM 0 HG23 THR A 99 4.992 9.681 -2.739 1.00 0.00 H new ATOM 1451 N ALA A 100 8.045 8.637 -0.280 1.00 0.00 N ATOM 1452 CA ALA A 100 7.864 8.052 1.038 1.00 0.00 C ATOM 1453 C ALA A 100 8.271 9.071 2.104 1.00 0.00 C ATOM 1454 O ALA A 100 7.544 9.286 3.073 1.00 0.00 O ATOM 1455 CB ALA A 100 8.666 6.753 1.135 1.00 0.00 C ATOM 0 H ALA A 100 8.739 8.169 -0.863 1.00 0.00 H new ATOM 0 HA ALA A 100 6.817 7.801 1.206 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.530 6.314 2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.317 6.053 0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.723 6.965 0.974 1.00 0.00 H new ATOM 1461 N LYS A 101 9.433 9.671 1.890 1.00 0.00 N ATOM 1462 CA LYS A 101 9.946 10.661 2.821 1.00 0.00 C ATOM 1463 C LYS A 101 8.820 11.622 3.209 1.00 0.00 C ATOM 1464 O LYS A 101 8.551 11.822 4.392 1.00 0.00 O ATOM 1465 CB LYS A 101 11.175 11.360 2.236 1.00 0.00 C ATOM 1466 CG LYS A 101 12.464 10.657 2.668 1.00 0.00 C ATOM 1467 CD LYS A 101 13.522 10.724 1.565 1.00 0.00 C ATOM 1468 CE LYS A 101 14.171 12.109 1.512 1.00 0.00 C ATOM 1469 NZ LYS A 101 15.047 12.225 0.325 1.00 0.00 N ATOM 0 H LYS A 101 10.033 9.490 1.085 1.00 0.00 H new ATOM 0 HA LYS A 101 10.286 10.180 3.738 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.109 11.369 1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.196 12.400 2.563 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.850 11.122 3.575 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.251 9.616 2.910 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.286 9.967 1.742 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.064 10.496 0.602 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.399 12.878 1.478 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.752 12.280 2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.025 12.405 0.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.012 11.340 -0.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.721 13.012 -0.272 1.00 0.00 H new ATOM 1483 N LYS A 102 8.192 12.190 2.190 1.00 0.00 N ATOM 1484 CA LYS A 102 7.102 13.124 2.410 1.00 0.00 C ATOM 1485 C LYS A 102 6.016 12.445 3.247 1.00 0.00 C ATOM 1486 O LYS A 102 5.435 13.065 4.137 1.00 0.00 O ATOM 1487 CB LYS A 102 6.594 13.679 1.077 1.00 0.00 C ATOM 1488 CG LYS A 102 7.477 14.830 0.591 1.00 0.00 C ATOM 1489 CD LYS A 102 8.080 14.517 -0.780 1.00 0.00 C ATOM 1490 CE LYS A 102 9.568 14.870 -0.818 1.00 0.00 C ATOM 1491 NZ LYS A 102 10.313 14.082 0.190 1.00 0.00 N ATOM 0 H LYS A 102 8.418 12.021 1.210 1.00 0.00 H new ATOM 0 HA LYS A 102 7.449 13.988 2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.581 12.885 0.330 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.567 14.027 1.191 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.888 15.745 0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.275 15.010 1.311 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.948 13.459 -1.006 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.550 15.077 -1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.969 14.673 -1.812 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.700 15.935 -0.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 11.317 14.037 -0.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 10.222 14.536 1.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 9.923 13.119 0.235 1.00 0.00 H new ATOM 1505 N ILE A 103 5.774 11.181 2.932 1.00 0.00 N ATOM 1506 CA ILE A 103 4.768 10.412 3.644 1.00 0.00 C ATOM 1507 C ILE A 103 5.204 10.234 5.100 1.00 0.00 C ATOM 1508 O ILE A 103 4.366 10.092 5.989 1.00 0.00 O ATOM 1509 CB ILE A 103 4.491 9.093 2.920 1.00 0.00 C ATOM 1510 CG1 ILE A 103 4.045 9.342 1.478 1.00 0.00 C ATOM 1511 CG2 ILE A 103 3.479 8.245 3.694 1.00 0.00 C ATOM 1512 CD1 ILE A 103 2.521 9.426 1.381 1.00 0.00 C ATOM 0 H ILE A 103 6.257 10.670 2.193 1.00 0.00 H new ATOM 0 HA ILE A 103 3.819 10.947 3.658 1.00 0.00 H new ATOM 0 HB ILE A 103 5.421 8.526 2.876 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.488 10.268 1.112 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.410 8.539 0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.300 7.313 3.158 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.873 8.023 4.686 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.542 8.794 3.790 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.232 9.603 0.345 1.00 0.00 H new ATOM 0 HD12 ILE A 103 2.082 8.489 1.725 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.161 10.245 2.004 1.00 0.00 H new ATOM 1524 N HIS A 104 6.514 10.248 5.298 1.00 0.00 N ATOM 1525 CA HIS A 104 7.071 10.090 6.631 1.00 0.00 C ATOM 1526 C HIS A 104 7.210 11.462 7.294 1.00 0.00 C ATOM 1527 O HIS A 104 7.591 12.434 6.644 1.00 0.00 O ATOM 1528 CB HIS A 104 8.391 9.320 6.580 1.00 0.00 C ATOM 1529 CG HIS A 104 8.389 8.044 7.387 1.00 0.00 C ATOM 1530 ND1 HIS A 104 9.221 7.843 8.475 1.00 0.00 N ATOM 1531 CD2 HIS A 104 7.648 6.906 7.254 1.00 0.00 C ATOM 1532 CE1 HIS A 104 8.983 6.636 8.967 1.00 0.00 C ATOM 1533 NE2 HIS A 104 8.009 6.057 8.208 1.00 0.00 N ATOM 0 H HIS A 104 7.206 10.366 4.558 1.00 0.00 H new ATOM 0 HA HIS A 104 6.394 9.495 7.244 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.620 9.081 5.542 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.191 9.966 6.942 1.00 0.00 H new ATOM 0 HD2 HIS A 104 6.896 6.727 6.500 1.00 0.00 H new ATOM 0 HE1 HIS A 104 9.474 6.189 9.819 1.00 0.00 H new ATOM 0 HE2 HIS A 104 7.621 5.124 8.350 1.00 0.00 H new