USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=25 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 -148:sc= 0.615 USER MOD Set 1.2: A 118 THR OG1 : rot 162:sc= 0.645 USER MOD Set 2.1: A 98 HIS : no HD1:sc= -0.601 K(o=-1.7,f=-5.6!) USER MOD Set 2.2: A 100 MET CE :methyl 174:sc= -0.892 (180deg=-0.416) USER MOD Set 2.3: A 112 MET CE :methyl -118:sc= -0.157 (180deg=0) USER MOD Set 3.1: A 65 GLN : amide:sc= -0.027 K(o=-0.027,f=-1.8) USER MOD Set 3.2: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 66 LYS NZ :NH3+ 151:sc= 0.201 (180deg=-0.044) USER MOD Set 4.2: A 70 MET CE :methyl 176:sc= -0.227 (180deg=-0.0531) USER MOD Set 5.1: A 7 ASN : amide:sc= 0.428 K(o=1.1,f=-1.9) USER MOD Set 5.2: A 10 LYS NZ :NH3+ 152:sc= 0.638 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00187) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 22 GLN : amide:sc= -1.05 K(o=-1.1,f=-0.13) USER MOD Single : A 23 GLN : amide:sc= -1.54 K(o=-1.5,f=-6.6!) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0295 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+ 161:sc= 0.69 (180deg=0.476) USER MOD Single : A 42 LYS NZ :NH3+ 150:sc= 0.992 (180deg=0.434) USER MOD Single : A 44 THR OG1 : rot 76:sc= 0.274 USER MOD Single : A 56 HIS : no HD1:sc= -0.222 X(o=-0.22,f=0.029) USER MOD Single : A 57 SER OG : rot 93:sc= 1.27 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 146:sc= -0.699 (180deg=-2.54!) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.462 X(o=-0.46,f=-0.53) USER MOD Single : A 77 THR OG1 : rot -160:sc= -1.77! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -154:sc= 0.529 (180deg=0.0229) USER MOD Single : A 81 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.35) USER MOD Single : A 84 MET CE :methyl -156:sc= -1.16 (180deg=-1.86) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -78:sc= 1.66 USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00454) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N GLU A 5 -9.261 -5.466 3.670 1.00 0.00 N ATOM 72 CA GLU A 5 -7.822 -5.493 4.058 1.00 0.00 C ATOM 73 C GLU A 5 -7.256 -4.059 4.206 1.00 0.00 C ATOM 74 O GLU A 5 -6.611 -3.735 5.194 1.00 0.00 O ATOM 75 CB GLU A 5 -6.950 -6.284 3.033 1.00 0.00 C ATOM 76 CG GLU A 5 -7.376 -7.743 2.757 1.00 0.00 C ATOM 77 CD GLU A 5 -8.645 -7.873 1.877 1.00 0.00 C ATOM 78 OE1 GLU A 5 -8.548 -7.692 0.644 1.00 0.00 O ATOM 79 OE2 GLU A 5 -9.749 -8.119 2.417 1.00 0.00 O ATOM 0 HA GLU A 5 -7.774 -6.005 5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.955 -5.741 2.088 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.921 -6.290 3.392 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.553 -8.265 2.269 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.553 -8.245 3.708 1.00 0.00 H new ATOM 86 N LYS A 6 -7.438 -3.283 3.136 1.00 0.00 N ATOM 87 CA LYS A 6 -7.080 -1.835 3.144 1.00 0.00 C ATOM 88 C LYS A 6 -7.706 -1.057 4.356 1.00 0.00 C ATOM 89 O LYS A 6 -7.086 -0.125 4.881 1.00 0.00 O ATOM 90 CB LYS A 6 -7.470 -1.186 1.789 1.00 0.00 C ATOM 91 CG LYS A 6 -8.952 -1.353 1.381 1.00 0.00 C ATOM 92 CD LYS A 6 -9.219 -0.943 -0.088 1.00 0.00 C ATOM 93 CE LYS A 6 -10.688 -1.137 -0.508 1.00 0.00 C ATOM 94 NZ LYS A 6 -11.611 -0.237 0.235 1.00 0.00 N ATOM 0 H LYS A 6 -7.827 -3.615 2.253 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.000 -1.766 3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.240 -0.121 1.835 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.844 -1.614 1.006 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.248 -2.392 1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.576 -0.750 2.041 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.943 0.103 -0.224 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.578 -1.530 -0.746 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.785 -0.951 -1.578 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.979 -2.173 -0.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.586 -0.392 -0.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.552 -0.443 1.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.342 0.753 0.066 1.00 0.00 H new ATOM 108 N ASN A 7 -8.924 -1.471 4.781 1.00 0.00 N ATOM 109 CA ASN A 7 -9.578 -0.903 6.008 1.00 0.00 C ATOM 110 C ASN A 7 -8.822 -1.359 7.286 1.00 0.00 C ATOM 111 O ASN A 7 -8.750 -0.610 8.260 1.00 0.00 O ATOM 112 CB ASN A 7 -11.068 -1.338 6.095 1.00 0.00 C ATOM 113 CG ASN A 7 -11.806 -0.882 7.359 1.00 0.00 C ATOM 114 OD1 ASN A 7 -12.380 0.211 7.411 1.00 0.00 O ATOM 115 ND2 ASN A 7 -11.811 -1.726 8.384 1.00 0.00 N ATOM 0 H ASN A 7 -9.476 -2.186 4.307 1.00 0.00 H new ATOM 0 HA ASN A 7 -9.537 0.184 5.937 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -11.596 -0.948 5.224 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -11.117 -2.425 6.037 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -12.298 -1.479 9.245 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -11.328 -2.621 8.310 1.00 0.00 H new ATOM 122 N GLU A 8 -8.303 -2.606 7.268 1.00 0.00 N ATOM 123 CA GLU A 8 -7.474 -3.160 8.370 1.00 0.00 C ATOM 124 C GLU A 8 -6.134 -2.412 8.498 1.00 0.00 C ATOM 125 O GLU A 8 -5.709 -2.097 9.617 1.00 0.00 O ATOM 126 CB GLU A 8 -7.231 -4.703 8.215 1.00 0.00 C ATOM 127 CG GLU A 8 -8.355 -5.613 8.763 1.00 0.00 C ATOM 128 CD GLU A 8 -9.682 -5.515 7.990 1.00 0.00 C ATOM 129 OE1 GLU A 8 -10.482 -4.578 8.241 1.00 0.00 O ATOM 130 OE2 GLU A 8 -9.950 -6.391 7.156 1.00 0.00 O ATOM 0 H GLU A 8 -8.444 -3.257 6.495 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.041 -3.009 9.289 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.090 -4.926 7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -6.301 -4.959 8.722 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.012 -6.647 8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.536 -5.358 9.807 1.00 0.00 H new ATOM 137 N ILE A 9 -5.459 -2.143 7.358 1.00 0.00 N ATOM 138 CA ILE A 9 -4.212 -1.344 7.340 1.00 0.00 C ATOM 139 C ILE A 9 -4.471 0.098 7.837 1.00 0.00 C ATOM 140 O ILE A 9 -3.672 0.653 8.591 1.00 0.00 O ATOM 141 CB ILE A 9 -3.551 -1.307 5.903 1.00 0.00 C ATOM 142 CG1 ILE A 9 -3.400 -2.759 5.310 1.00 0.00 C ATOM 143 CG2 ILE A 9 -2.181 -0.560 5.929 1.00 0.00 C ATOM 144 CD1 ILE A 9 -2.535 -3.726 6.115 1.00 0.00 C ATOM 0 H ILE A 9 -5.757 -2.467 6.438 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.514 -1.835 8.018 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.217 -0.748 5.246 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.395 -3.193 5.207 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.982 -2.678 4.307 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.752 -0.552 4.927 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.332 0.465 6.268 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.501 -1.071 6.610 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.504 -4.692 5.611 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.524 -3.327 6.198 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.959 -3.850 7.112 1.00 0.00 H new ATOM 156 N LYS A 10 -5.608 0.672 7.408 1.00 0.00 N ATOM 157 CA LYS A 10 -6.073 2.003 7.862 1.00 0.00 C ATOM 158 C LYS A 10 -6.300 2.001 9.390 1.00 0.00 C ATOM 159 O LYS A 10 -5.997 2.968 10.061 1.00 0.00 O ATOM 160 CB LYS A 10 -7.393 2.366 7.130 1.00 0.00 C ATOM 161 CG LYS A 10 -8.022 3.728 7.525 1.00 0.00 C ATOM 162 CD LYS A 10 -9.456 3.917 6.969 1.00 0.00 C ATOM 163 CE LYS A 10 -10.451 2.889 7.543 1.00 0.00 C ATOM 164 NZ LYS A 10 -11.807 3.041 6.967 1.00 0.00 N ATOM 0 H LYS A 10 -6.234 0.229 6.736 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.311 2.746 7.627 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.204 2.371 6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.123 1.579 7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.046 3.809 8.612 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.387 4.535 7.159 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.803 4.924 7.202 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.435 3.831 5.883 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.085 1.882 7.345 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.503 3.002 8.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.295 2.123 6.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.348 3.729 7.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.732 3.378 5.986 1.00 0.00 H new ATOM 178 N ARG A 11 -6.895 0.903 9.864 1.00 0.00 N ATOM 179 CA ARG A 11 -7.165 0.652 11.294 1.00 0.00 C ATOM 180 C ARG A 11 -5.878 0.736 12.162 1.00 0.00 C ATOM 181 O ARG A 11 -5.812 1.559 13.081 1.00 0.00 O ATOM 182 CB ARG A 11 -7.889 -0.704 11.478 1.00 0.00 C ATOM 183 CG ARG A 11 -8.234 -1.041 12.945 1.00 0.00 C ATOM 184 CD ARG A 11 -9.025 -2.348 13.099 1.00 0.00 C ATOM 185 NE ARG A 11 -10.378 -2.256 12.505 1.00 0.00 N ATOM 186 CZ ARG A 11 -10.861 -3.041 11.535 1.00 0.00 C ATOM 187 NH1 ARG A 11 -10.107 -3.978 10.996 1.00 0.00 N ATOM 188 NH2 ARG A 11 -12.108 -2.897 11.122 1.00 0.00 N ATOM 0 H ARG A 11 -7.211 0.146 9.258 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.825 1.444 11.648 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.808 -0.695 10.893 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.261 -1.497 11.072 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.311 -1.113 13.520 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.813 -0.222 13.372 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.476 -3.161 12.624 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.111 -2.596 14.157 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.996 -1.530 12.867 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.148 -4.109 11.318 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.482 -4.572 10.257 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.706 -2.186 11.543 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.473 -3.497 10.382 1.00 0.00 H new ATOM 202 N LEU A 12 -4.862 -0.111 11.877 1.00 0.00 N ATOM 203 CA LEU A 12 -3.590 -0.117 12.661 1.00 0.00 C ATOM 204 C LEU A 12 -2.831 1.229 12.524 1.00 0.00 C ATOM 205 O LEU A 12 -2.212 1.701 13.488 1.00 0.00 O ATOM 206 CB LEU A 12 -2.705 -1.349 12.272 1.00 0.00 C ATOM 207 CG LEU A 12 -2.348 -1.521 10.747 1.00 0.00 C ATOM 208 CD1 LEU A 12 -1.010 -0.843 10.359 1.00 0.00 C ATOM 209 CD2 LEU A 12 -2.367 -3.007 10.316 1.00 0.00 C ATOM 0 H LEU A 12 -4.890 -0.794 11.120 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.839 -0.221 13.717 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.773 -1.287 12.833 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.217 -2.252 12.604 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.132 -1.002 10.196 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.819 -0.996 9.297 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.070 0.225 10.567 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.198 -1.281 10.940 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.116 -3.082 9.258 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.638 -3.565 10.903 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.361 -3.422 10.483 1.00 0.00 H new ATOM 221 N SER A 13 -2.855 1.784 11.304 1.00 0.00 N ATOM 222 CA SER A 13 -2.355 3.158 11.047 1.00 0.00 C ATOM 223 C SER A 13 -3.030 4.199 11.988 1.00 0.00 C ATOM 224 O SER A 13 -2.342 4.971 12.643 1.00 0.00 O ATOM 225 CB SER A 13 -2.582 3.529 9.564 1.00 0.00 C ATOM 226 OG SER A 13 -2.074 4.818 9.249 1.00 0.00 O ATOM 0 H SER A 13 -3.213 1.310 10.475 1.00 0.00 H new ATOM 0 HA SER A 13 -1.286 3.178 11.259 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.102 2.786 8.928 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.649 3.497 9.342 1.00 0.00 H new ATOM 0 HG SER A 13 -2.237 5.011 8.302 1.00 0.00 H new ATOM 232 N ASP A 14 -4.380 4.216 12.003 1.00 0.00 N ATOM 233 CA ASP A 14 -5.220 5.066 12.903 1.00 0.00 C ATOM 234 C ASP A 14 -4.928 4.806 14.400 1.00 0.00 C ATOM 235 O ASP A 14 -5.075 5.703 15.238 1.00 0.00 O ATOM 236 CB ASP A 14 -6.719 4.769 12.592 1.00 0.00 C ATOM 237 CG ASP A 14 -7.724 5.535 13.472 1.00 0.00 C ATOM 238 OD1 ASP A 14 -8.050 6.698 13.158 1.00 0.00 O ATOM 239 OD2 ASP A 14 -8.182 4.976 14.495 1.00 0.00 O ATOM 0 H ASP A 14 -4.937 3.631 11.381 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.982 6.113 12.715 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.914 5.011 11.547 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.895 3.700 12.710 1.00 0.00 H new ATOM 244 N ARG A 15 -4.523 3.561 14.700 1.00 0.00 N ATOM 245 CA ARG A 15 -4.184 3.164 16.078 1.00 0.00 C ATOM 246 C ARG A 15 -2.927 3.934 16.528 1.00 0.00 C ATOM 247 O ARG A 15 -2.946 4.646 17.546 1.00 0.00 O ATOM 248 CB ARG A 15 -3.985 1.630 16.218 1.00 0.00 C ATOM 249 CG ARG A 15 -3.858 1.170 17.692 1.00 0.00 C ATOM 250 CD ARG A 15 -5.099 1.560 18.531 1.00 0.00 C ATOM 251 NE ARG A 15 -4.792 1.640 19.972 1.00 0.00 N ATOM 252 CZ ARG A 15 -4.835 2.765 20.718 1.00 0.00 C ATOM 253 NH1 ARG A 15 -5.155 3.939 20.172 1.00 0.00 N ATOM 254 NH2 ARG A 15 -4.535 2.711 22.005 1.00 0.00 N ATOM 0 H ARG A 15 -4.422 2.815 14.012 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.021 3.421 16.727 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.826 1.116 15.754 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.089 1.334 15.672 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.724 0.089 17.724 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.967 1.615 18.135 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.480 2.522 18.188 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.890 0.828 18.369 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.526 0.775 20.443 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.372 3.997 19.177 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.183 4.779 20.749 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.272 1.822 22.431 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.566 3.558 22.572 1.00 0.00 H new ATOM 268 N LEU A 16 -1.883 3.830 15.694 1.00 0.00 N ATOM 269 CA LEU A 16 -0.604 4.519 15.944 1.00 0.00 C ATOM 270 C LEU A 16 -0.820 6.054 15.897 1.00 0.00 C ATOM 271 O LEU A 16 -0.265 6.761 16.725 1.00 0.00 O ATOM 272 CB LEU A 16 0.486 4.047 14.920 1.00 0.00 C ATOM 273 CG LEU A 16 2.009 4.330 15.262 1.00 0.00 C ATOM 274 CD1 LEU A 16 2.412 5.814 15.105 1.00 0.00 C ATOM 275 CD2 LEU A 16 2.377 3.810 16.671 1.00 0.00 C ATOM 0 H LEU A 16 -1.897 3.275 14.838 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.240 4.261 16.939 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.370 2.972 14.782 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.267 4.517 13.961 1.00 0.00 H new ATOM 0 HG LEU A 16 2.584 3.775 14.521 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.466 5.933 15.355 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.246 6.129 14.075 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.809 6.428 15.774 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.427 4.020 16.873 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.757 4.308 17.416 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.206 2.734 16.718 1.00 0.00 H new ATOM 287 N ASP A 17 -1.607 6.541 14.911 1.00 0.00 N ATOM 288 CA ASP A 17 -1.919 7.986 14.747 1.00 0.00 C ATOM 289 C ASP A 17 -2.553 8.602 16.016 1.00 0.00 C ATOM 290 O ASP A 17 -2.086 9.639 16.506 1.00 0.00 O ATOM 291 CB ASP A 17 -2.833 8.200 13.512 1.00 0.00 C ATOM 292 CG ASP A 17 -3.235 9.671 13.292 1.00 0.00 C ATOM 293 OD1 ASP A 17 -2.337 10.509 13.065 1.00 0.00 O ATOM 294 OD2 ASP A 17 -4.441 9.997 13.346 1.00 0.00 O ATOM 0 H ASP A 17 -2.045 5.948 14.206 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.975 8.507 14.586 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.320 7.835 12.622 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.735 7.599 13.629 1.00 0.00 H new ATOM 299 N ALA A 18 -3.664 8.018 16.494 1.00 0.00 N ATOM 300 CA ALA A 18 -4.228 8.296 17.828 1.00 0.00 C ATOM 301 C ALA A 18 -3.179 8.300 18.958 1.00 0.00 C ATOM 302 O ALA A 18 -3.238 9.161 19.834 1.00 0.00 O ATOM 303 CB ALA A 18 -5.331 7.291 18.141 1.00 0.00 C ATOM 0 H ALA A 18 -4.202 7.334 15.962 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.634 9.307 17.788 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.745 7.500 19.127 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.119 7.371 17.392 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.919 6.282 18.127 1.00 0.00 H new ATOM 309 N ILE A 19 -2.223 7.345 18.918 1.00 0.00 N ATOM 310 CA ILE A 19 -1.199 7.209 19.982 1.00 0.00 C ATOM 311 C ILE A 19 -0.181 8.373 19.934 1.00 0.00 C ATOM 312 O ILE A 19 0.092 8.977 20.969 1.00 0.00 O ATOM 313 CB ILE A 19 -0.476 5.801 19.955 1.00 0.00 C ATOM 314 CG1 ILE A 19 -1.494 4.676 20.344 1.00 0.00 C ATOM 315 CG2 ILE A 19 0.780 5.755 20.877 1.00 0.00 C ATOM 316 CD1 ILE A 19 -0.909 3.280 20.430 1.00 0.00 C ATOM 0 H ILE A 19 -2.138 6.661 18.166 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.727 7.265 20.934 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.119 5.633 18.939 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.938 4.927 21.307 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.302 4.670 19.612 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.237 4.767 20.820 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.499 6.507 20.550 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.484 5.959 21.906 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.692 2.574 20.705 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.491 3.000 19.463 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.122 3.261 21.184 1.00 0.00 H new ATOM 328 N ARG A 20 0.379 8.693 18.747 1.00 0.00 N ATOM 329 CA ARG A 20 1.334 9.809 18.576 1.00 0.00 C ATOM 330 C ARG A 20 0.698 11.176 18.890 1.00 0.00 C ATOM 331 O ARG A 20 1.368 12.026 19.483 1.00 0.00 O ATOM 332 CB ARG A 20 1.969 9.822 17.152 1.00 0.00 C ATOM 333 CG ARG A 20 0.951 9.789 15.986 1.00 0.00 C ATOM 334 CD ARG A 20 1.359 10.598 14.743 1.00 0.00 C ATOM 335 NE ARG A 20 1.386 12.047 15.022 1.00 0.00 N ATOM 336 CZ ARG A 20 0.343 12.891 14.898 1.00 0.00 C ATOM 337 NH1 ARG A 20 -0.851 12.460 14.511 1.00 0.00 N ATOM 338 NH2 ARG A 20 0.504 14.166 15.191 1.00 0.00 N ATOM 0 H ARG A 20 0.182 8.187 17.884 1.00 0.00 H new ATOM 0 HA ARG A 20 2.129 9.637 19.301 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.585 10.716 17.053 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.635 8.964 17.059 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.794 8.752 15.690 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.006 10.166 16.348 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.343 10.274 14.404 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.660 10.396 13.931 1.00 0.00 H new ATOM 0 HE ARG A 20 2.271 12.444 15.336 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.993 11.472 14.301 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.627 13.117 14.424 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.412 14.506 15.508 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.279 14.813 15.100 1.00 0.00 H new ATOM 352 N HIS A 21 -0.590 11.404 18.526 1.00 0.00 N ATOM 353 CA HIS A 21 -1.324 12.639 18.867 1.00 0.00 C ATOM 354 C HIS A 21 -1.518 12.761 20.380 1.00 0.00 C ATOM 355 O HIS A 21 -1.305 13.812 20.953 1.00 0.00 O ATOM 356 CB HIS A 21 -2.709 12.631 18.164 1.00 0.00 C ATOM 357 CG HIS A 21 -3.419 13.960 18.201 1.00 0.00 C ATOM 358 ND1 HIS A 21 -4.428 14.256 19.087 1.00 0.00 N ATOM 359 CD2 HIS A 21 -3.242 15.081 17.465 1.00 0.00 C ATOM 360 CE1 HIS A 21 -4.833 15.491 18.897 1.00 0.00 C ATOM 361 NE2 HIS A 21 -4.134 16.017 17.918 1.00 0.00 N ATOM 0 H HIS A 21 -1.143 10.736 17.989 1.00 0.00 H new ATOM 0 HA HIS A 21 -0.740 13.493 18.525 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -2.577 12.329 17.125 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -3.341 11.879 18.636 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.528 15.214 16.666 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -5.612 15.991 19.454 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.238 16.965 17.555 1.00 0.00 H new ATOM 370 N GLN A 22 -1.933 11.640 20.970 1.00 0.00 N ATOM 371 CA GLN A 22 -2.073 11.452 22.433 1.00 0.00 C ATOM 372 C GLN A 22 -0.784 11.847 23.161 1.00 0.00 C ATOM 373 O GLN A 22 -0.821 12.524 24.184 1.00 0.00 O ATOM 374 CB GLN A 22 -2.443 9.968 22.686 1.00 0.00 C ATOM 375 CG GLN A 22 -2.084 9.381 24.056 1.00 0.00 C ATOM 376 CD GLN A 22 -2.152 7.859 24.044 1.00 0.00 C ATOM 377 OE1 GLN A 22 -3.177 7.263 24.369 1.00 0.00 O ATOM 378 NE2 GLN A 22 -1.069 7.222 23.603 1.00 0.00 N ATOM 0 H GLN A 22 -2.191 10.809 20.438 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.859 12.097 22.826 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -3.518 9.859 22.543 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.956 9.363 21.921 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.081 9.700 24.338 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.767 9.771 24.811 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.237 7.751 23.343 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.072 6.205 23.526 1.00 0.00 H new ATOM 387 N GLN A 23 0.349 11.433 22.593 1.00 0.00 N ATOM 388 CA GLN A 23 1.672 11.727 23.151 1.00 0.00 C ATOM 389 C GLN A 23 2.134 13.154 22.833 1.00 0.00 C ATOM 390 O GLN A 23 3.068 13.629 23.464 1.00 0.00 O ATOM 391 CB GLN A 23 2.697 10.702 22.638 1.00 0.00 C ATOM 392 CG GLN A 23 2.443 9.279 23.142 1.00 0.00 C ATOM 393 CD GLN A 23 3.472 8.286 22.625 1.00 0.00 C ATOM 394 OE1 GLN A 23 3.282 7.666 21.588 1.00 0.00 O ATOM 395 NE2 GLN A 23 4.574 8.139 23.344 1.00 0.00 N ATOM 0 H GLN A 23 0.377 10.885 21.733 1.00 0.00 H new ATOM 0 HA GLN A 23 1.595 11.652 24.236 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.683 10.701 21.548 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.696 11.014 22.944 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.455 9.275 24.232 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.448 8.960 22.833 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.697 8.674 24.204 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.300 7.491 23.038 1.00 0.00 H new ATOM 404 N ALA A 24 1.556 13.789 21.791 1.00 0.00 N ATOM 405 CA ALA A 24 1.752 15.234 21.523 1.00 0.00 C ATOM 406 C ALA A 24 0.772 16.105 22.351 1.00 0.00 C ATOM 407 O ALA A 24 0.972 17.314 22.489 1.00 0.00 O ATOM 408 CB ALA A 24 1.597 15.499 20.017 1.00 0.00 C ATOM 0 H ALA A 24 0.947 13.323 21.118 1.00 0.00 H new ATOM 0 HA ALA A 24 2.759 15.514 21.832 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.741 16.561 19.818 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.341 14.923 19.468 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.599 15.202 19.696 1.00 0.00 H new ATOM 414 N ASP A 25 -0.294 15.468 22.880 1.00 0.00 N ATOM 415 CA ASP A 25 -1.206 16.113 23.852 1.00 0.00 C ATOM 416 C ASP A 25 -0.543 16.045 25.237 1.00 0.00 C ATOM 417 O ASP A 25 -0.720 16.922 26.085 1.00 0.00 O ATOM 418 CB ASP A 25 -2.587 15.402 23.893 1.00 0.00 C ATOM 419 CG ASP A 25 -3.424 15.597 22.619 1.00 0.00 C ATOM 420 OD1 ASP A 25 -3.687 16.758 22.247 1.00 0.00 O ATOM 421 OD2 ASP A 25 -3.862 14.600 22.010 1.00 0.00 O ATOM 0 H ASP A 25 -0.546 14.506 22.651 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.381 17.147 23.553 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.431 14.335 24.054 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.152 15.774 24.748 1.00 0.00 H new ATOM 426 N LEU A 26 0.226 14.961 25.411 1.00 0.00 N ATOM 427 CA LEU A 26 1.118 14.807 26.564 1.00 0.00 C ATOM 428 C LEU A 26 2.493 15.374 26.201 1.00 0.00 C ATOM 429 O LEU A 26 2.751 15.704 25.043 1.00 0.00 O ATOM 430 CB LEU A 26 1.225 13.322 26.999 1.00 0.00 C ATOM 431 CG LEU A 26 -0.121 12.604 27.351 1.00 0.00 C ATOM 432 CD1 LEU A 26 0.131 11.209 27.954 1.00 0.00 C ATOM 433 CD2 LEU A 26 -1.012 13.457 28.284 1.00 0.00 C ATOM 0 H LEU A 26 0.246 14.174 24.762 1.00 0.00 H new ATOM 0 HA LEU A 26 0.709 15.357 27.412 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.711 12.765 26.198 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.880 13.266 27.868 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.665 12.477 26.415 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.823 10.736 28.188 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.674 10.595 27.236 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.720 11.308 28.866 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.934 12.917 28.500 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.480 13.654 29.215 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.250 14.402 27.796 1.00 0.00 H new ATOM 445 N SER A 27 3.327 15.572 27.215 1.00 0.00 N ATOM 446 CA SER A 27 4.712 16.009 26.986 1.00 0.00 C ATOM 447 C SER A 27 5.685 15.273 27.903 1.00 0.00 C ATOM 448 O SER A 27 5.297 14.653 28.902 1.00 0.00 O ATOM 449 CB SER A 27 4.841 17.535 27.187 1.00 0.00 C ATOM 450 OG SER A 27 6.082 18.023 26.715 1.00 0.00 O ATOM 0 H SER A 27 3.079 15.441 28.196 1.00 0.00 H new ATOM 0 HA SER A 27 4.969 15.767 25.955 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.029 18.041 26.664 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.736 17.773 28.246 1.00 0.00 H new ATOM 0 HG SER A 27 6.128 18.992 26.857 1.00 0.00 H new ATOM 456 N LEU A 28 6.960 15.380 27.524 1.00 0.00 N ATOM 457 CA LEU A 28 8.116 14.945 28.309 1.00 0.00 C ATOM 458 C LEU A 28 8.298 15.836 29.569 1.00 0.00 C ATOM 459 O LEU A 28 9.033 15.477 30.485 1.00 0.00 O ATOM 460 CB LEU A 28 9.362 14.952 27.360 1.00 0.00 C ATOM 461 CG LEU A 28 10.724 14.336 27.863 1.00 0.00 C ATOM 462 CD1 LEU A 28 11.588 15.325 28.685 1.00 0.00 C ATOM 463 CD2 LEU A 28 10.474 13.021 28.634 1.00 0.00 C ATOM 0 H LEU A 28 7.225 15.788 26.627 1.00 0.00 H new ATOM 0 HA LEU A 28 7.974 13.934 28.692 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.081 14.424 26.449 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.555 15.988 27.082 1.00 0.00 H new ATOM 0 HG LEU A 28 11.311 14.113 26.972 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.509 14.832 28.997 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.831 16.192 28.071 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.033 15.648 29.566 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.426 12.611 28.973 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.837 13.220 29.496 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.983 12.302 27.978 1.00 0.00 H new ATOM 475 N VAL A 29 7.618 16.986 29.623 1.00 0.00 N ATOM 476 CA VAL A 29 7.672 17.879 30.800 1.00 0.00 C ATOM 477 C VAL A 29 6.490 17.597 31.760 1.00 0.00 C ATOM 478 O VAL A 29 6.684 17.489 32.979 1.00 0.00 O ATOM 479 CB VAL A 29 7.684 19.383 30.341 1.00 0.00 C ATOM 480 CG1 VAL A 29 7.763 20.365 31.541 1.00 0.00 C ATOM 481 CG2 VAL A 29 8.836 19.634 29.333 1.00 0.00 C ATOM 0 H VAL A 29 7.022 17.326 28.868 1.00 0.00 H new ATOM 0 HA VAL A 29 8.595 17.681 31.345 1.00 0.00 H new ATOM 0 HB VAL A 29 6.736 19.579 29.840 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.769 21.391 31.172 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.899 20.217 32.189 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.677 20.177 32.105 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.829 20.680 29.026 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.790 19.401 29.805 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.699 18.998 28.458 1.00 0.00 H new ATOM 491 N GLU A 30 5.278 17.418 31.198 1.00 0.00 N ATOM 492 CA GLU A 30 4.018 17.400 31.999 1.00 0.00 C ATOM 493 C GLU A 30 3.573 15.975 32.405 1.00 0.00 C ATOM 494 O GLU A 30 2.996 15.796 33.477 1.00 0.00 O ATOM 495 CB GLU A 30 2.883 18.111 31.217 1.00 0.00 C ATOM 496 CG GLU A 30 2.466 17.401 29.914 1.00 0.00 C ATOM 497 CD GLU A 30 1.548 18.243 29.022 1.00 0.00 C ATOM 498 OE1 GLU A 30 2.048 19.213 28.416 1.00 0.00 O ATOM 499 OE2 GLU A 30 0.345 17.946 28.914 1.00 0.00 O ATOM 0 H GLU A 30 5.136 17.284 30.197 1.00 0.00 H new ATOM 0 HA GLU A 30 4.227 17.936 32.925 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.011 18.197 31.865 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.203 19.125 30.977 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.362 17.136 29.352 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.960 16.469 30.164 1.00 0.00 H new ATOM 506 N ALA A 31 3.849 14.968 31.560 1.00 0.00 N ATOM 507 CA ALA A 31 3.301 13.605 31.736 1.00 0.00 C ATOM 508 C ALA A 31 4.328 12.557 31.309 1.00 0.00 C ATOM 509 O ALA A 31 3.998 11.614 30.601 1.00 0.00 O ATOM 510 CB ALA A 31 1.988 13.453 30.935 1.00 0.00 C ATOM 0 H ALA A 31 4.451 15.069 30.743 1.00 0.00 H new ATOM 0 HA ALA A 31 3.079 13.447 32.791 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.593 12.446 31.071 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.258 14.180 31.291 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.185 13.625 29.877 1.00 0.00 H new ATOM 516 N ALA A 32 5.547 12.679 31.843 1.00 0.00 N ATOM 517 CA ALA A 32 6.708 11.897 31.399 1.00 0.00 C ATOM 518 C ALA A 32 6.951 10.752 32.366 1.00 0.00 C ATOM 519 O ALA A 32 7.676 10.936 33.354 1.00 0.00 O ATOM 520 CB ALA A 32 7.945 12.788 31.330 1.00 0.00 C ATOM 0 H ALA A 32 5.759 13.328 32.601 1.00 0.00 H new ATOM 0 HA ALA A 32 6.508 11.495 30.406 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.800 12.198 31.000 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.770 13.600 30.624 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.150 13.203 32.317 1.00 0.00 H new ATOM 526 N ASP A 33 6.349 9.590 32.118 1.00 0.00 N ATOM 527 CA ASP A 33 6.289 8.438 33.023 1.00 0.00 C ATOM 528 C ASP A 33 5.258 7.562 32.291 1.00 0.00 C ATOM 529 O ASP A 33 5.577 6.510 31.749 1.00 0.00 O ATOM 530 CB ASP A 33 5.828 8.755 34.469 1.00 0.00 C ATOM 531 CG ASP A 33 5.817 7.511 35.372 1.00 0.00 C ATOM 532 OD1 ASP A 33 6.891 7.132 35.887 1.00 0.00 O ATOM 533 OD2 ASP A 33 4.749 6.887 35.545 1.00 0.00 O ATOM 0 H ASP A 33 5.865 9.415 31.237 1.00 0.00 H new ATOM 0 HA ASP A 33 7.269 7.993 33.193 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.489 9.507 34.900 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.828 9.188 34.441 1.00 0.00 H new ATOM 538 N LYS A 34 4.010 8.082 32.268 1.00 0.00 N ATOM 539 CA LYS A 34 2.997 7.773 31.233 1.00 0.00 C ATOM 540 C LYS A 34 3.544 7.953 29.790 1.00 0.00 C ATOM 541 O LYS A 34 3.329 7.092 28.947 1.00 0.00 O ATOM 542 CB LYS A 34 1.769 8.698 31.465 1.00 0.00 C ATOM 543 CG LYS A 34 0.596 8.542 30.469 1.00 0.00 C ATOM 544 CD LYS A 34 -0.076 7.153 30.522 1.00 0.00 C ATOM 545 CE LYS A 34 -1.333 7.076 29.631 1.00 0.00 C ATOM 546 NZ LYS A 34 -1.981 5.741 29.670 1.00 0.00 N ATOM 0 H LYS A 34 3.674 8.735 32.976 1.00 0.00 H new ATOM 0 HA LYS A 34 2.716 6.724 31.325 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.390 8.518 32.471 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.109 9.733 31.433 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.152 9.307 30.678 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.962 8.722 29.458 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.639 6.394 30.204 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.349 6.923 31.552 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.049 7.832 29.953 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.060 7.313 28.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.819 5.744 29.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.310 5.020 29.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.268 5.523 30.645 1.00 0.00 H new ATOM 560 N TYR A 35 4.262 9.077 29.544 1.00 0.00 N ATOM 561 CA TYR A 35 4.881 9.365 28.209 1.00 0.00 C ATOM 562 C TYR A 35 5.892 8.250 27.874 1.00 0.00 C ATOM 563 O TYR A 35 5.976 7.808 26.735 1.00 0.00 O ATOM 564 CB TYR A 35 5.578 10.761 28.156 1.00 0.00 C ATOM 565 CG TYR A 35 6.088 11.203 26.776 1.00 0.00 C ATOM 566 CD1 TYR A 35 5.196 11.553 25.763 1.00 0.00 C ATOM 567 CD2 TYR A 35 7.457 11.274 26.487 1.00 0.00 C ATOM 568 CE1 TYR A 35 5.648 11.958 24.526 1.00 0.00 C ATOM 569 CE2 TYR A 35 7.910 11.680 25.249 1.00 0.00 C ATOM 570 CZ TYR A 35 7.000 12.015 24.271 1.00 0.00 C ATOM 571 OH TYR A 35 7.440 12.410 23.030 1.00 0.00 O ATOM 0 H TYR A 35 4.431 9.800 30.243 1.00 0.00 H new ATOM 0 HA TYR A 35 4.082 9.389 27.468 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.875 11.511 28.520 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.420 10.752 28.848 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.134 11.506 25.951 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.173 11.005 27.250 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.942 12.231 23.756 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.970 11.735 25.048 1.00 0.00 H new ATOM 0 HH TYR A 35 8.420 12.399 23.011 1.00 0.00 H new ATOM 581 N ALA A 36 6.622 7.808 28.928 1.00 0.00 N ATOM 582 CA ALA A 36 7.605 6.712 28.832 1.00 0.00 C ATOM 583 C ALA A 36 6.939 5.383 28.406 1.00 0.00 C ATOM 584 O ALA A 36 7.428 4.713 27.482 1.00 0.00 O ATOM 585 CB ALA A 36 8.374 6.549 30.158 1.00 0.00 C ATOM 0 H ALA A 36 6.542 8.204 29.865 1.00 0.00 H new ATOM 0 HA ALA A 36 8.321 6.978 28.054 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.093 5.735 30.064 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.901 7.475 30.389 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.672 6.322 30.960 1.00 0.00 H new ATOM 591 N GLU A 37 5.809 5.006 29.042 1.00 0.00 N ATOM 592 CA GLU A 37 5.033 3.794 28.728 1.00 0.00 C ATOM 593 C GLU A 37 4.446 3.839 27.310 1.00 0.00 C ATOM 594 O GLU A 37 4.536 2.882 26.571 1.00 0.00 O ATOM 595 CB GLU A 37 3.897 3.620 29.781 1.00 0.00 C ATOM 596 CG GLU A 37 4.364 3.626 31.257 1.00 0.00 C ATOM 597 CD GLU A 37 5.466 2.593 31.553 1.00 0.00 C ATOM 598 OE1 GLU A 37 5.143 1.409 31.779 1.00 0.00 O ATOM 599 OE2 GLU A 37 6.659 2.961 31.559 1.00 0.00 O ATOM 0 H GLU A 37 5.405 5.550 29.804 1.00 0.00 H new ATOM 0 HA GLU A 37 5.708 2.939 28.768 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.169 4.420 29.643 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.380 2.681 29.583 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.731 4.621 31.510 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.508 3.428 31.902 1.00 0.00 H new ATOM 606 N LEU A 38 3.777 4.948 27.006 1.00 0.00 N ATOM 607 CA LEU A 38 3.246 5.222 25.649 1.00 0.00 C ATOM 608 C LEU A 38 4.342 5.159 24.541 1.00 0.00 C ATOM 609 O LEU A 38 4.050 4.782 23.403 1.00 0.00 O ATOM 610 CB LEU A 38 2.508 6.571 25.630 1.00 0.00 C ATOM 611 CG LEU A 38 1.261 6.676 26.565 1.00 0.00 C ATOM 612 CD1 LEU A 38 0.600 8.061 26.443 1.00 0.00 C ATOM 613 CD2 LEU A 38 0.246 5.532 26.305 1.00 0.00 C ATOM 0 H LEU A 38 3.582 5.687 27.681 1.00 0.00 H new ATOM 0 HA LEU A 38 2.538 4.427 25.414 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.214 7.354 25.907 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.190 6.776 24.608 1.00 0.00 H new ATOM 0 HG LEU A 38 1.608 6.561 27.592 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.266 8.110 27.103 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.316 8.832 26.726 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.281 8.222 25.413 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.606 5.642 26.976 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.097 5.578 25.272 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.727 4.571 26.485 1.00 0.00 H new ATOM 625 N GLU A 39 5.579 5.586 24.884 1.00 0.00 N ATOM 626 CA GLU A 39 6.781 5.386 24.029 1.00 0.00 C ATOM 627 C GLU A 39 7.084 3.885 23.812 1.00 0.00 C ATOM 628 O GLU A 39 7.531 3.492 22.730 1.00 0.00 O ATOM 629 CB GLU A 39 8.021 6.115 24.642 1.00 0.00 C ATOM 630 CG GLU A 39 8.083 7.635 24.381 1.00 0.00 C ATOM 631 CD GLU A 39 8.203 7.982 22.891 1.00 0.00 C ATOM 632 OE1 GLU A 39 9.305 7.830 22.328 1.00 0.00 O ATOM 633 OE2 GLU A 39 7.209 8.405 22.274 1.00 0.00 O ATOM 0 H GLU A 39 5.776 6.077 25.756 1.00 0.00 H new ATOM 0 HA GLU A 39 6.567 5.823 23.054 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.026 5.947 25.719 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.926 5.657 24.243 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.187 8.105 24.787 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.934 8.056 24.916 1.00 0.00 H new ATOM 640 N LYS A 40 6.855 3.071 24.860 1.00 0.00 N ATOM 641 CA LYS A 40 7.022 1.594 24.790 1.00 0.00 C ATOM 642 C LYS A 40 5.921 0.942 23.908 1.00 0.00 C ATOM 643 O LYS A 40 6.216 0.080 23.082 1.00 0.00 O ATOM 644 CB LYS A 40 6.994 0.972 26.212 1.00 0.00 C ATOM 645 CG LYS A 40 8.063 1.529 27.171 1.00 0.00 C ATOM 646 CD LYS A 40 7.921 0.966 28.603 1.00 0.00 C ATOM 647 CE LYS A 40 8.995 1.510 29.563 1.00 0.00 C ATOM 648 NZ LYS A 40 8.791 1.039 30.952 1.00 0.00 N ATOM 0 H LYS A 40 6.552 3.408 25.774 1.00 0.00 H new ATOM 0 HA LYS A 40 7.991 1.395 24.333 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.009 1.138 26.649 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.127 -0.107 26.126 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.054 1.288 26.786 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.988 2.616 27.202 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.933 1.215 28.991 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.986 -0.122 28.570 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.981 1.200 29.217 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.979 2.600 29.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.675 1.147 31.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.042 1.602 31.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.513 0.037 30.941 1.00 0.00 H new ATOM 662 N GLU A 41 4.650 1.318 24.174 1.00 0.00 N ATOM 663 CA GLU A 41 3.477 0.885 23.359 1.00 0.00 C ATOM 664 C GLU A 41 3.677 1.190 21.865 1.00 0.00 C ATOM 665 O GLU A 41 3.362 0.365 20.995 1.00 0.00 O ATOM 666 CB GLU A 41 2.179 1.575 23.857 1.00 0.00 C ATOM 667 CG GLU A 41 1.876 1.379 25.356 1.00 0.00 C ATOM 668 CD GLU A 41 1.987 -0.084 25.825 1.00 0.00 C ATOM 669 OE1 GLU A 41 1.141 -0.915 25.420 1.00 0.00 O ATOM 670 OE2 GLU A 41 2.912 -0.410 26.603 1.00 0.00 O ATOM 0 H GLU A 41 4.402 1.927 24.954 1.00 0.00 H new ATOM 0 HA GLU A 41 3.385 -0.194 23.480 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.251 2.643 23.652 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.337 1.195 23.278 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.564 1.991 25.939 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.870 1.743 25.565 1.00 0.00 H new ATOM 677 N LYS A 42 4.195 2.400 21.614 1.00 0.00 N ATOM 678 CA LYS A 42 4.583 2.837 20.273 1.00 0.00 C ATOM 679 C LYS A 42 5.674 1.893 19.729 1.00 0.00 C ATOM 680 O LYS A 42 5.528 1.355 18.646 1.00 0.00 O ATOM 681 CB LYS A 42 5.110 4.295 20.274 1.00 0.00 C ATOM 682 CG LYS A 42 5.572 4.796 18.878 1.00 0.00 C ATOM 683 CD LYS A 42 6.346 6.127 18.931 1.00 0.00 C ATOM 684 CE LYS A 42 5.490 7.296 19.420 1.00 0.00 C ATOM 685 NZ LYS A 42 6.281 8.533 19.554 1.00 0.00 N ATOM 0 H LYS A 42 4.355 3.101 22.337 1.00 0.00 H new ATOM 0 HA LYS A 42 3.700 2.804 19.635 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.326 4.955 20.645 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.945 4.369 20.971 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.203 4.036 18.418 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.699 4.917 18.236 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.207 6.014 19.589 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.732 6.357 17.938 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.669 7.463 18.722 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.044 7.043 20.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.669 9.356 19.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.677 8.589 20.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.055 8.527 18.860 1.00 0.00 H new ATOM 699 N ALA A 43 6.749 1.704 20.529 1.00 0.00 N ATOM 700 CA ALA A 43 7.931 0.884 20.176 1.00 0.00 C ATOM 701 C ALA A 43 7.553 -0.542 19.705 1.00 0.00 C ATOM 702 O ALA A 43 8.010 -0.998 18.645 1.00 0.00 O ATOM 703 CB ALA A 43 8.906 0.816 21.359 1.00 0.00 C ATOM 0 H ALA A 43 6.820 2.125 21.455 1.00 0.00 H new ATOM 0 HA ALA A 43 8.417 1.376 19.333 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.769 0.210 21.084 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.236 1.822 21.617 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.406 0.367 22.217 1.00 0.00 H new ATOM 709 N THR A 44 6.683 -1.218 20.468 1.00 0.00 N ATOM 710 CA THR A 44 6.189 -2.578 20.211 1.00 0.00 C ATOM 711 C THR A 44 5.274 -2.603 18.977 1.00 0.00 C ATOM 712 O THR A 44 5.315 -3.547 18.194 1.00 0.00 O ATOM 713 CB THR A 44 5.438 -3.108 21.477 1.00 0.00 C ATOM 714 OG1 THR A 44 6.296 -2.962 22.620 1.00 0.00 O ATOM 715 CG2 THR A 44 4.998 -4.590 21.346 1.00 0.00 C ATOM 0 H THR A 44 6.287 -0.815 21.317 1.00 0.00 H new ATOM 0 HA THR A 44 7.036 -3.232 20.004 1.00 0.00 H new ATOM 0 HB THR A 44 4.528 -2.518 21.589 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.315 -2.022 22.897 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.483 -4.898 22.256 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.326 -4.696 20.495 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.876 -5.218 21.196 1.00 0.00 H new ATOM 723 N LEU A 45 4.416 -1.567 18.869 1.00 0.00 N ATOM 724 CA LEU A 45 3.649 -1.364 17.617 1.00 0.00 C ATOM 725 C LEU A 45 4.592 -1.314 16.401 1.00 0.00 C ATOM 726 O LEU A 45 4.364 -2.033 15.458 1.00 0.00 O ATOM 727 CB LEU A 45 2.725 -0.111 17.635 1.00 0.00 C ATOM 728 CG LEU A 45 1.312 -0.293 18.282 1.00 0.00 C ATOM 729 CD1 LEU A 45 0.469 0.986 18.131 1.00 0.00 C ATOM 730 CD2 LEU A 45 0.572 -1.518 17.688 1.00 0.00 C ATOM 0 H LEU A 45 4.239 -0.880 19.602 1.00 0.00 H new ATOM 0 HA LEU A 45 2.988 -2.227 17.535 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.243 0.687 18.167 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.589 0.227 16.608 1.00 0.00 H new ATOM 0 HG LEU A 45 1.457 -0.479 19.346 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.508 0.834 18.589 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.975 1.816 18.624 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.342 1.215 17.073 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.406 -1.616 18.159 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.445 -1.381 16.614 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.155 -2.420 17.872 1.00 0.00 H new ATOM 742 N GLU A 46 5.663 -0.499 16.442 1.00 0.00 N ATOM 743 CA GLU A 46 6.634 -0.343 15.336 1.00 0.00 C ATOM 744 C GLU A 46 7.425 -1.637 15.074 1.00 0.00 C ATOM 745 O GLU A 46 7.765 -1.933 13.924 1.00 0.00 O ATOM 746 CB GLU A 46 7.609 0.815 15.641 1.00 0.00 C ATOM 747 CG GLU A 46 6.905 2.142 15.942 1.00 0.00 C ATOM 748 CD GLU A 46 7.878 3.264 16.310 1.00 0.00 C ATOM 749 OE1 GLU A 46 8.549 3.157 17.361 1.00 0.00 O ATOM 750 OE2 GLU A 46 7.979 4.252 15.556 1.00 0.00 O ATOM 0 H GLU A 46 5.883 0.078 17.254 1.00 0.00 H new ATOM 0 HA GLU A 46 6.065 -0.115 14.435 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.231 0.541 16.493 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.276 0.951 14.790 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.323 2.444 15.071 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.201 1.996 16.761 1.00 0.00 H new ATOM 757 N ALA A 47 7.601 -2.447 16.129 1.00 0.00 N ATOM 758 CA ALA A 47 8.400 -3.681 16.120 1.00 0.00 C ATOM 759 C ALA A 47 7.602 -4.764 15.394 1.00 0.00 C ATOM 760 O ALA A 47 8.095 -5.413 14.471 1.00 0.00 O ATOM 761 CB ALA A 47 8.756 -4.101 17.554 1.00 0.00 C ATOM 0 H ALA A 47 7.179 -2.256 17.038 1.00 0.00 H new ATOM 0 HA ALA A 47 9.342 -3.520 15.595 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.347 -5.016 17.529 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.333 -3.309 18.032 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.841 -4.276 18.120 1.00 0.00 H new ATOM 767 N GLU A 48 6.339 -4.882 15.805 1.00 0.00 N ATOM 768 CA GLU A 48 5.292 -5.715 15.227 1.00 0.00 C ATOM 769 C GLU A 48 5.060 -5.364 13.750 1.00 0.00 C ATOM 770 O GLU A 48 5.360 -6.148 12.875 1.00 0.00 O ATOM 771 CB GLU A 48 3.987 -5.451 16.041 1.00 0.00 C ATOM 772 CG GLU A 48 2.770 -6.296 15.647 1.00 0.00 C ATOM 773 CD GLU A 48 2.776 -7.696 16.292 1.00 0.00 C ATOM 774 OE1 GLU A 48 3.397 -8.630 15.744 1.00 0.00 O ATOM 775 OE2 GLU A 48 2.166 -7.860 17.365 1.00 0.00 O ATOM 0 H GLU A 48 5.999 -4.357 16.611 1.00 0.00 H new ATOM 0 HA GLU A 48 5.583 -6.764 15.274 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.199 -5.624 17.096 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.723 -4.398 15.937 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.860 -5.771 15.939 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.743 -6.402 14.562 1.00 0.00 H new ATOM 782 N ILE A 49 4.559 -4.138 13.547 1.00 0.00 N ATOM 783 CA ILE A 49 4.074 -3.712 12.216 1.00 0.00 C ATOM 784 C ILE A 49 5.183 -3.821 11.147 1.00 0.00 C ATOM 785 O ILE A 49 4.894 -4.280 10.052 1.00 0.00 O ATOM 786 CB ILE A 49 3.384 -2.287 12.192 1.00 0.00 C ATOM 787 CG1 ILE A 49 4.406 -1.130 12.460 1.00 0.00 C ATOM 788 CG2 ILE A 49 2.189 -2.244 13.187 1.00 0.00 C ATOM 789 CD1 ILE A 49 3.795 0.260 12.527 1.00 0.00 C ATOM 0 H ILE A 49 4.477 -3.427 14.274 1.00 0.00 H new ATOM 0 HA ILE A 49 3.280 -4.416 11.966 1.00 0.00 H new ATOM 0 HB ILE A 49 2.995 -2.124 11.187 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.921 -1.330 13.399 1.00 0.00 H new ATOM 0 HG13 ILE A 49 5.161 -1.142 11.674 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.726 -1.257 13.158 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.454 -2.998 12.906 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.548 -2.446 14.196 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.579 0.993 12.716 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.305 0.488 11.580 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.062 0.297 13.333 1.00 0.00 H new ATOM 801 N ALA A 50 6.446 -3.416 11.448 1.00 0.00 N ATOM 802 CA ALA A 50 7.593 -3.604 10.537 1.00 0.00 C ATOM 803 C ALA A 50 7.994 -5.087 10.348 1.00 0.00 C ATOM 804 O ALA A 50 8.423 -5.464 9.255 1.00 0.00 O ATOM 805 CB ALA A 50 8.781 -2.782 11.042 1.00 0.00 C ATOM 0 H ALA A 50 6.690 -2.954 12.324 1.00 0.00 H new ATOM 0 HA ALA A 50 7.284 -3.253 9.552 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.629 -2.919 10.371 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.508 -1.727 11.071 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.053 -3.114 12.044 1.00 0.00 H new ATOM 811 N ARG A 51 7.885 -5.913 11.413 1.00 0.00 N ATOM 812 CA ARG A 51 8.140 -7.377 11.344 1.00 0.00 C ATOM 813 C ARG A 51 7.132 -8.038 10.372 1.00 0.00 C ATOM 814 O ARG A 51 7.498 -8.832 9.504 1.00 0.00 O ATOM 815 CB ARG A 51 8.062 -8.031 12.758 1.00 0.00 C ATOM 816 CG ARG A 51 8.645 -9.460 12.847 1.00 0.00 C ATOM 817 CD ARG A 51 10.153 -9.490 12.549 1.00 0.00 C ATOM 818 NE ARG A 51 10.718 -10.852 12.573 1.00 0.00 N ATOM 819 CZ ARG A 51 11.961 -11.173 12.166 1.00 0.00 C ATOM 820 NH1 ARG A 51 12.765 -10.261 11.650 1.00 0.00 N ATOM 821 NH2 ARG A 51 12.388 -12.415 12.262 1.00 0.00 N ATOM 0 H ARG A 51 7.619 -5.589 12.343 1.00 0.00 H new ATOM 0 HA ARG A 51 9.150 -7.537 10.967 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.591 -7.394 13.467 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.019 -8.060 13.072 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.465 -9.863 13.844 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.124 -10.108 12.142 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.333 -9.045 11.570 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.675 -8.873 13.281 1.00 0.00 H new ATOM 0 HE ARG A 51 10.125 -11.605 12.923 1.00 0.00 H new ATOM 0 HH11 ARG A 51 12.447 -9.296 11.555 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.703 -10.521 11.347 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.777 -13.136 12.645 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.330 -12.656 11.953 1.00 0.00 H new ATOM 835 N LEU A 52 5.860 -7.666 10.545 1.00 0.00 N ATOM 836 CA LEU A 52 4.757 -8.009 9.641 1.00 0.00 C ATOM 837 C LEU A 52 5.060 -7.502 8.228 1.00 0.00 C ATOM 838 O LEU A 52 4.858 -8.226 7.257 1.00 0.00 O ATOM 839 CB LEU A 52 3.388 -7.435 10.151 1.00 0.00 C ATOM 840 CG LEU A 52 2.586 -8.317 11.167 1.00 0.00 C ATOM 841 CD1 LEU A 52 2.176 -9.666 10.540 1.00 0.00 C ATOM 842 CD2 LEU A 52 3.364 -8.532 12.475 1.00 0.00 C ATOM 0 H LEU A 52 5.560 -7.102 11.340 1.00 0.00 H new ATOM 0 HA LEU A 52 4.666 -9.095 9.619 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.578 -6.468 10.617 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.752 -7.252 9.284 1.00 0.00 H new ATOM 0 HG LEU A 52 1.675 -7.771 11.414 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.621 -10.254 11.272 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.548 -9.486 9.668 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.069 -10.213 10.237 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.773 -9.149 13.153 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.308 -9.032 12.259 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.563 -7.568 12.943 1.00 0.00 H new ATOM 854 N ARG A 53 5.580 -6.270 8.098 1.00 0.00 N ATOM 855 CA ARG A 53 5.868 -5.648 6.806 1.00 0.00 C ATOM 856 C ARG A 53 7.237 -6.056 6.239 1.00 0.00 C ATOM 857 O ARG A 53 7.602 -5.581 5.178 1.00 0.00 O ATOM 858 CB ARG A 53 5.746 -4.108 6.919 1.00 0.00 C ATOM 859 CG ARG A 53 4.291 -3.586 7.048 1.00 0.00 C ATOM 860 CD ARG A 53 4.241 -2.077 7.341 1.00 0.00 C ATOM 861 NE ARG A 53 4.939 -1.302 6.295 1.00 0.00 N ATOM 862 CZ ARG A 53 5.911 -0.399 6.492 1.00 0.00 C ATOM 863 NH1 ARG A 53 6.372 -0.140 7.708 1.00 0.00 N ATOM 864 NH2 ARG A 53 6.433 0.226 5.446 1.00 0.00 N ATOM 0 H ARG A 53 5.812 -5.678 8.896 1.00 0.00 H new ATOM 0 HA ARG A 53 5.126 -6.014 6.097 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.317 -3.774 7.785 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.205 -3.654 6.040 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.749 -3.794 6.126 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.782 -4.127 7.846 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.203 -1.751 7.405 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.698 -1.878 8.310 1.00 0.00 H new ATOM 0 HE ARG A 53 4.654 -1.470 5.330 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.987 -0.631 8.515 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.112 0.550 7.837 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.095 0.018 4.506 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.173 0.915 5.581 1.00 0.00 H new ATOM 878 N GLU A 54 8.007 -6.917 6.939 1.00 0.00 N ATOM 879 CA GLU A 54 9.153 -7.622 6.308 1.00 0.00 C ATOM 880 C GLU A 54 8.724 -9.047 5.910 1.00 0.00 C ATOM 881 O GLU A 54 9.349 -9.667 5.067 1.00 0.00 O ATOM 882 CB GLU A 54 10.422 -7.620 7.190 1.00 0.00 C ATOM 883 CG GLU A 54 10.382 -8.547 8.405 1.00 0.00 C ATOM 884 CD GLU A 54 11.718 -8.597 9.141 1.00 0.00 C ATOM 885 OE1 GLU A 54 12.607 -9.375 8.729 1.00 0.00 O ATOM 886 OE2 GLU A 54 11.896 -7.853 10.123 1.00 0.00 O ATOM 0 H GLU A 54 7.863 -7.141 7.924 1.00 0.00 H new ATOM 0 HA GLU A 54 9.432 -7.073 5.408 1.00 0.00 H new ATOM 0 HB2 GLU A 54 11.274 -7.899 6.570 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.600 -6.602 7.537 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.605 -8.210 9.091 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.109 -9.552 8.083 1.00 0.00 H new ATOM 893 N VAL A 55 7.627 -9.539 6.524 1.00 0.00 N ATOM 894 CA VAL A 55 6.849 -10.684 5.975 1.00 0.00 C ATOM 895 C VAL A 55 6.094 -10.175 4.722 1.00 0.00 C ATOM 896 O VAL A 55 5.854 -10.912 3.768 1.00 0.00 O ATOM 897 CB VAL A 55 5.842 -11.290 7.039 1.00 0.00 C ATOM 898 CG1 VAL A 55 5.046 -12.490 6.459 1.00 0.00 C ATOM 899 CG2 VAL A 55 6.587 -11.698 8.335 1.00 0.00 C ATOM 0 H VAL A 55 7.256 -9.166 7.398 1.00 0.00 H new ATOM 0 HA VAL A 55 7.529 -11.495 5.713 1.00 0.00 H new ATOM 0 HB VAL A 55 5.122 -10.510 7.288 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.367 -12.877 7.219 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.472 -12.161 5.593 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.739 -13.275 6.158 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.875 -12.111 9.049 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.342 -12.449 8.100 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.069 -10.822 8.769 1.00 0.00 H new ATOM 909 N HIS A 56 5.821 -8.850 4.740 1.00 0.00 N ATOM 910 CA HIS A 56 5.239 -8.138 3.586 1.00 0.00 C ATOM 911 C HIS A 56 6.352 -7.291 2.907 1.00 0.00 C ATOM 912 O HIS A 56 6.121 -6.154 2.482 1.00 0.00 O ATOM 913 CB HIS A 56 4.013 -7.262 3.984 1.00 0.00 C ATOM 914 CG HIS A 56 2.757 -8.030 4.309 1.00 0.00 C ATOM 915 ND1 HIS A 56 1.625 -7.986 3.523 1.00 0.00 N ATOM 916 CD2 HIS A 56 2.450 -8.834 5.355 1.00 0.00 C ATOM 917 CE1 HIS A 56 0.679 -8.721 4.075 1.00 0.00 C ATOM 918 NE2 HIS A 56 1.152 -9.247 5.184 1.00 0.00 N ATOM 0 H HIS A 56 5.997 -8.252 5.548 1.00 0.00 H new ATOM 0 HA HIS A 56 4.858 -8.874 2.878 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.284 -6.657 4.849 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.798 -6.573 3.167 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.105 -9.101 6.172 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.317 -8.866 3.682 1.00 0.00 H new ATOM 0 HE2 HIS A 56 0.638 -9.862 5.815 1.00 0.00 H new ATOM 927 N SER A 57 7.584 -7.854 2.840 1.00 0.00 N ATOM 928 CA SER A 57 8.686 -7.356 1.968 1.00 0.00 C ATOM 929 C SER A 57 9.391 -8.551 1.312 1.00 0.00 C ATOM 930 O SER A 57 9.672 -8.529 0.108 1.00 0.00 O ATOM 931 CB SER A 57 9.701 -6.477 2.727 1.00 0.00 C ATOM 932 OG SER A 57 9.144 -5.214 3.039 1.00 0.00 O ATOM 0 H SER A 57 7.846 -8.671 3.391 1.00 0.00 H new ATOM 0 HA SER A 57 8.241 -6.718 1.204 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.008 -6.979 3.644 1.00 0.00 H new ATOM 0 HB3 SER A 57 10.597 -6.344 2.121 1.00 0.00 H new ATOM 0 HG SER A 57 8.750 -5.243 3.936 1.00 0.00 H new ATOM 938 N GLN A 58 9.677 -9.594 2.128 1.00 0.00 N ATOM 939 CA GLN A 58 10.078 -10.930 1.626 1.00 0.00 C ATOM 940 C GLN A 58 8.949 -11.468 0.732 1.00 0.00 C ATOM 941 O GLN A 58 9.194 -12.101 -0.294 1.00 0.00 O ATOM 942 CB GLN A 58 10.370 -11.896 2.813 1.00 0.00 C ATOM 943 CG GLN A 58 11.508 -11.411 3.743 1.00 0.00 C ATOM 944 CD GLN A 58 11.668 -12.211 5.042 1.00 0.00 C ATOM 945 OE1 GLN A 58 11.436 -13.416 5.085 1.00 0.00 O ATOM 946 NE2 GLN A 58 12.032 -11.532 6.126 1.00 0.00 N ATOM 0 H GLN A 58 9.637 -9.534 3.145 1.00 0.00 H new ATOM 0 HA GLN A 58 10.996 -10.853 1.043 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.461 -12.021 3.401 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.630 -12.877 2.416 1.00 0.00 H new ATOM 0 HG2 GLN A 58 12.448 -11.449 3.192 1.00 0.00 H new ATOM 0 HG3 GLN A 58 11.329 -10.366 3.997 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.219 -10.531 6.062 1.00 0.00 H new ATOM 0 HE22 GLN A 58 12.124 -12.012 7.021 1.00 0.00 H new ATOM 955 N LYS A 59 7.700 -11.184 1.160 1.00 0.00 N ATOM 956 CA LYS A 59 6.495 -11.334 0.341 1.00 0.00 C ATOM 957 C LYS A 59 5.787 -9.964 0.298 1.00 0.00 C ATOM 958 O LYS A 59 4.781 -9.778 0.980 1.00 0.00 O ATOM 959 CB LYS A 59 5.545 -12.452 0.897 1.00 0.00 C ATOM 960 CG LYS A 59 6.051 -13.916 0.756 1.00 0.00 C ATOM 961 CD LYS A 59 7.098 -14.346 1.812 1.00 0.00 C ATOM 962 CE LYS A 59 6.567 -14.241 3.252 1.00 0.00 C ATOM 963 NZ LYS A 59 7.518 -14.796 4.244 1.00 0.00 N ATOM 0 H LYS A 59 7.506 -10.839 2.100 1.00 0.00 H new ATOM 0 HA LYS A 59 6.770 -11.650 -0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.363 -12.253 1.953 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.585 -12.371 0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.196 -14.589 0.818 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.484 -14.042 -0.236 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.404 -15.374 1.616 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.987 -13.723 1.711 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.368 -13.196 3.488 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.617 -14.771 3.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.117 -14.703 5.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.689 -15.801 4.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.416 -14.274 4.193 1.00 0.00 H new ATOM 977 N LEU A 60 6.364 -9.013 -0.496 1.00 0.00 N ATOM 978 CA LEU A 60 5.998 -7.551 -0.520 1.00 0.00 C ATOM 979 C LEU A 60 4.479 -7.302 -0.389 1.00 0.00 C ATOM 980 O LEU A 60 4.008 -6.671 0.564 1.00 0.00 O ATOM 981 CB LEU A 60 6.595 -6.852 -1.798 1.00 0.00 C ATOM 982 CG LEU A 60 6.542 -5.259 -1.874 1.00 0.00 C ATOM 983 CD1 LEU A 60 7.661 -4.691 -2.783 1.00 0.00 C ATOM 984 CD2 LEU A 60 5.166 -4.712 -2.346 1.00 0.00 C ATOM 0 H LEU A 60 7.112 -9.239 -1.152 1.00 0.00 H new ATOM 0 HA LEU A 60 6.447 -7.098 0.364 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.638 -7.156 -1.889 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.071 -7.246 -2.669 1.00 0.00 H new ATOM 0 HG LEU A 60 6.700 -4.919 -0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.592 -3.604 -2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.634 -4.983 -2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.546 -5.086 -3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.198 -3.623 -2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.944 -5.096 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.389 -5.033 -1.652 1.00 0.00 H new ATOM 996 N SER A 61 3.754 -7.823 -1.356 1.00 0.00 N ATOM 997 CA SER A 61 2.291 -7.740 -1.456 1.00 0.00 C ATOM 998 C SER A 61 1.912 -8.688 -2.576 1.00 0.00 C ATOM 999 O SER A 61 2.681 -8.782 -3.514 1.00 0.00 O ATOM 1000 CB SER A 61 1.817 -6.296 -1.771 1.00 0.00 C ATOM 1001 OG SER A 61 0.401 -6.200 -1.797 1.00 0.00 O ATOM 0 H SER A 61 4.173 -8.339 -2.130 1.00 0.00 H new ATOM 0 HA SER A 61 1.815 -8.008 -0.513 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.214 -5.611 -1.021 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.220 -5.983 -2.734 1.00 0.00 H new ATOM 0 HG SER A 61 0.139 -5.277 -1.996 1.00 0.00 H new ATOM 1007 N LYS A 62 0.737 -9.349 -2.490 1.00 0.00 N ATOM 1008 CA LYS A 62 0.376 -10.513 -3.350 1.00 0.00 C ATOM 1009 C LYS A 62 0.821 -10.356 -4.842 1.00 0.00 C ATOM 1010 O LYS A 62 1.868 -10.912 -5.229 1.00 0.00 O ATOM 1011 CB LYS A 62 -1.151 -10.810 -3.241 1.00 0.00 C ATOM 1012 CG LYS A 62 -1.618 -11.245 -1.831 1.00 0.00 C ATOM 1013 CD LYS A 62 -3.137 -11.555 -1.738 1.00 0.00 C ATOM 1014 CE LYS A 62 -4.042 -10.303 -1.726 1.00 0.00 C ATOM 1015 NZ LYS A 62 -4.071 -9.571 -3.014 1.00 0.00 N ATOM 0 H LYS A 62 0.007 -9.096 -1.824 1.00 0.00 H new ATOM 0 HA LYS A 62 0.936 -11.367 -2.970 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.704 -9.918 -3.535 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.408 -11.594 -3.954 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.058 -12.130 -1.531 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.374 -10.457 -1.119 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.420 -12.185 -2.581 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.323 -12.132 -0.832 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.057 -10.603 -1.467 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.700 -9.627 -0.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.016 -9.162 -3.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.363 -8.809 -2.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.854 -10.227 -3.791 1.00 0.00 H new ATOM 1029 N GLU A 63 0.032 -9.638 -5.671 1.00 0.00 N ATOM 1030 CA GLU A 63 0.315 -9.364 -7.097 1.00 0.00 C ATOM 1031 C GLU A 63 1.782 -8.905 -7.370 1.00 0.00 C ATOM 1032 O GLU A 63 2.369 -9.384 -8.315 1.00 0.00 O ATOM 1033 CB GLU A 63 -0.675 -8.329 -7.704 1.00 0.00 C ATOM 1034 CG GLU A 63 -0.540 -8.127 -9.239 1.00 0.00 C ATOM 1035 CD GLU A 63 -0.674 -9.440 -10.045 1.00 0.00 C ATOM 1036 OE1 GLU A 63 -1.796 -9.983 -10.131 1.00 0.00 O ATOM 1037 OE2 GLU A 63 0.338 -9.942 -10.590 1.00 0.00 O ATOM 0 H GLU A 63 -0.845 -9.221 -5.357 1.00 0.00 H new ATOM 0 HA GLU A 63 0.176 -10.325 -7.592 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.694 -8.646 -7.481 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.525 -7.369 -7.210 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.303 -7.424 -9.574 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.428 -7.674 -9.455 1.00 0.00 H new ATOM 1044 N ALA A 64 2.360 -8.006 -6.536 1.00 0.00 N ATOM 1045 CA ALA A 64 3.772 -7.527 -6.708 1.00 0.00 C ATOM 1046 C ALA A 64 4.759 -8.715 -6.586 1.00 0.00 C ATOM 1047 O ALA A 64 5.621 -8.921 -7.429 1.00 0.00 O ATOM 1048 CB ALA A 64 4.101 -6.425 -5.657 1.00 0.00 C ATOM 0 H ALA A 64 1.879 -7.593 -5.737 1.00 0.00 H new ATOM 0 HA ALA A 64 3.878 -7.093 -7.702 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.128 -6.087 -5.794 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.421 -5.583 -5.788 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.984 -6.833 -4.653 1.00 0.00 H new ATOM 1054 N GLN A 65 4.613 -9.406 -5.454 1.00 0.00 N ATOM 1055 CA GLN A 65 5.403 -10.627 -5.133 1.00 0.00 C ATOM 1056 C GLN A 65 5.274 -11.683 -6.278 1.00 0.00 C ATOM 1057 O GLN A 65 6.219 -12.449 -6.550 1.00 0.00 O ATOM 1058 CB GLN A 65 4.938 -11.207 -3.756 1.00 0.00 C ATOM 1059 CG GLN A 65 5.911 -12.200 -3.064 1.00 0.00 C ATOM 1060 CD GLN A 65 5.917 -13.623 -3.623 1.00 0.00 C ATOM 1061 OE1 GLN A 65 4.907 -14.122 -4.100 1.00 0.00 O ATOM 1062 NE2 GLN A 65 7.058 -14.285 -3.561 1.00 0.00 N ATOM 0 H GLN A 65 3.948 -9.147 -4.725 1.00 0.00 H new ATOM 0 HA GLN A 65 6.458 -10.365 -5.054 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.759 -10.374 -3.077 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.982 -11.710 -3.902 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.922 -11.798 -3.134 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.660 -12.247 -2.004 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.883 -13.842 -3.157 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.114 -15.239 -3.917 1.00 0.00 H new ATOM 1071 N LYS A 66 4.164 -11.662 -7.036 1.00 0.00 N ATOM 1072 CA LYS A 66 3.860 -12.545 -8.159 1.00 0.00 C ATOM 1073 C LYS A 66 4.529 -12.029 -9.451 1.00 0.00 C ATOM 1074 O LYS A 66 5.035 -12.813 -10.225 1.00 0.00 O ATOM 1075 CB LYS A 66 2.317 -12.664 -8.275 1.00 0.00 C ATOM 1076 CG LYS A 66 1.792 -13.272 -9.584 1.00 0.00 C ATOM 1077 CD LYS A 66 0.286 -13.620 -9.499 1.00 0.00 C ATOM 1078 CE LYS A 66 -0.360 -13.784 -10.871 1.00 0.00 C ATOM 1079 NZ LYS A 66 -0.513 -12.480 -11.550 1.00 0.00 N ATOM 0 H LYS A 66 3.418 -10.988 -6.866 1.00 0.00 H new ATOM 0 HA LYS A 66 4.268 -13.542 -7.994 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.954 -13.269 -7.444 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.885 -11.670 -8.159 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.956 -12.570 -10.401 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.359 -14.173 -9.819 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.162 -14.542 -8.931 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.233 -12.835 -8.949 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.249 -14.447 -11.485 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.336 -14.257 -10.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.474 -12.618 -12.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.428 -12.059 -11.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.256 -11.844 -11.257 1.00 0.00 H new ATOM 1093 N LEU A 67 4.433 -10.708 -9.684 1.00 0.00 N ATOM 1094 CA LEU A 67 5.264 -9.965 -10.682 1.00 0.00 C ATOM 1095 C LEU A 67 6.773 -10.360 -10.540 1.00 0.00 C ATOM 1096 O LEU A 67 7.486 -10.509 -11.527 1.00 0.00 O ATOM 1097 CB LEU A 67 5.099 -8.419 -10.543 1.00 0.00 C ATOM 1098 CG LEU A 67 3.653 -7.837 -10.734 1.00 0.00 C ATOM 1099 CD1 LEU A 67 3.629 -6.301 -10.535 1.00 0.00 C ATOM 1100 CD2 LEU A 67 3.045 -8.227 -12.103 1.00 0.00 C ATOM 0 H LEU A 67 3.774 -10.109 -9.187 1.00 0.00 H new ATOM 0 HA LEU A 67 4.910 -10.248 -11.673 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.454 -8.128 -9.554 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.755 -7.941 -11.270 1.00 0.00 H new ATOM 0 HG LEU A 67 3.029 -8.286 -9.962 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.613 -5.932 -10.675 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.968 -6.059 -9.528 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.289 -5.829 -11.263 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.045 -7.803 -12.191 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.675 -7.841 -12.904 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.987 -9.313 -12.179 1.00 0.00 H new ATOM 1112 N MET A 68 7.190 -10.549 -9.276 1.00 0.00 N ATOM 1113 CA MET A 68 8.562 -11.002 -8.916 1.00 0.00 C ATOM 1114 C MET A 68 8.801 -12.495 -9.276 1.00 0.00 C ATOM 1115 O MET A 68 9.931 -12.887 -9.597 1.00 0.00 O ATOM 1116 CB MET A 68 8.862 -10.751 -7.414 1.00 0.00 C ATOM 1117 CG MET A 68 8.807 -9.278 -7.007 1.00 0.00 C ATOM 1118 SD MET A 68 9.255 -9.007 -5.278 1.00 0.00 S ATOM 1119 CE MET A 68 9.081 -7.226 -5.140 1.00 0.00 C ATOM 0 H MET A 68 6.589 -10.394 -8.466 1.00 0.00 H new ATOM 0 HA MET A 68 9.254 -10.406 -9.511 1.00 0.00 H new ATOM 0 HB2 MET A 68 8.146 -11.311 -6.812 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.851 -11.145 -7.181 1.00 0.00 H new ATOM 0 HG2 MET A 68 9.480 -8.705 -7.645 1.00 0.00 H new ATOM 0 HG3 MET A 68 7.801 -8.896 -7.180 1.00 0.00 H new ATOM 0 HE1 MET A 68 9.326 -6.914 -4.125 1.00 0.00 H new ATOM 0 HE2 MET A 68 9.757 -6.739 -5.842 1.00 0.00 H new ATOM 0 HE3 MET A 68 8.054 -6.942 -5.369 1.00 0.00 H new ATOM 1129 N LYS A 69 7.738 -13.322 -9.215 1.00 0.00 N ATOM 1130 CA LYS A 69 7.808 -14.774 -9.598 1.00 0.00 C ATOM 1131 C LYS A 69 6.959 -15.111 -10.866 1.00 0.00 C ATOM 1132 O LYS A 69 6.539 -16.263 -11.045 1.00 0.00 O ATOM 1133 CB LYS A 69 7.375 -15.661 -8.389 1.00 0.00 C ATOM 1134 CG LYS A 69 5.902 -15.500 -7.981 1.00 0.00 C ATOM 1135 CD LYS A 69 5.495 -16.349 -6.761 1.00 0.00 C ATOM 1136 CE LYS A 69 4.001 -16.191 -6.421 1.00 0.00 C ATOM 1137 NZ LYS A 69 3.636 -16.902 -5.175 1.00 0.00 N ATOM 0 H LYS A 69 6.813 -13.023 -8.906 1.00 0.00 H new ATOM 0 HA LYS A 69 8.844 -14.991 -9.858 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.559 -16.706 -8.636 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.005 -15.420 -7.533 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.709 -14.450 -7.761 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.269 -15.770 -8.827 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.712 -17.398 -6.961 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.096 -16.057 -5.900 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.763 -15.132 -6.317 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.399 -16.573 -7.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.622 -16.769 -4.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.838 -17.916 -5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.191 -16.520 -4.382 1.00 0.00 H new ATOM 1151 N MET A 70 6.753 -14.110 -11.760 1.00 0.00 N ATOM 1152 CA MET A 70 5.946 -14.276 -13.013 1.00 0.00 C ATOM 1153 C MET A 70 6.568 -15.312 -13.967 1.00 0.00 C ATOM 1154 O MET A 70 7.779 -15.561 -13.902 1.00 0.00 O ATOM 1155 CB MET A 70 5.756 -12.904 -13.754 1.00 0.00 C ATOM 1156 CG MET A 70 4.449 -12.171 -13.420 1.00 0.00 C ATOM 1157 SD MET A 70 2.978 -13.109 -13.888 1.00 0.00 S ATOM 1158 CE MET A 70 1.712 -11.846 -13.854 1.00 0.00 C ATOM 0 H MET A 70 7.134 -13.171 -11.642 1.00 0.00 H new ATOM 0 HA MET A 70 4.967 -14.647 -12.708 1.00 0.00 H new ATOM 0 HB2 MET A 70 6.595 -12.254 -13.507 1.00 0.00 H new ATOM 0 HB3 MET A 70 5.794 -13.079 -14.829 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.417 -11.965 -12.350 1.00 0.00 H new ATOM 0 HG3 MET A 70 4.438 -11.208 -13.931 1.00 0.00 H new ATOM 0 HE1 MET A 70 0.766 -12.270 -14.192 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.599 -11.471 -12.837 1.00 0.00 H new ATOM 0 HE3 MET A 70 1.998 -11.026 -14.513 1.00 0.00 H new ATOM 1168 N PRO A 71 5.743 -15.955 -14.859 1.00 0.00 N ATOM 1169 CA PRO A 71 6.275 -16.766 -15.940 1.00 0.00 C ATOM 1170 C PRO A 71 6.840 -15.887 -17.080 1.00 0.00 C ATOM 1171 O PRO A 71 8.047 -15.653 -17.111 1.00 0.00 O ATOM 1172 CB PRO A 71 5.085 -17.662 -16.366 1.00 0.00 C ATOM 1173 CG PRO A 71 3.865 -16.878 -16.006 1.00 0.00 C ATOM 1174 CD PRO A 71 4.253 -15.978 -14.844 1.00 0.00 C ATOM 0 HA PRO A 71 7.129 -17.375 -15.643 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.115 -17.877 -17.434 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.106 -18.620 -15.847 1.00 0.00 H new ATOM 0 HG2 PRO A 71 3.520 -16.288 -16.855 1.00 0.00 H new ATOM 0 HG3 PRO A 71 3.047 -17.542 -15.726 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.841 -14.976 -14.965 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.873 -16.367 -13.899 1.00 0.00 H new ATOM 1182 N PHE A 72 5.997 -15.413 -18.026 1.00 0.00 N ATOM 1183 CA PHE A 72 6.458 -14.790 -19.279 1.00 0.00 C ATOM 1184 C PHE A 72 6.518 -13.266 -19.040 1.00 0.00 C ATOM 1185 O PHE A 72 5.471 -12.632 -18.929 1.00 0.00 O ATOM 1186 CB PHE A 72 5.453 -15.102 -20.418 1.00 0.00 C ATOM 1187 CG PHE A 72 5.251 -16.594 -20.703 1.00 0.00 C ATOM 1188 CD1 PHE A 72 6.060 -17.270 -21.613 1.00 0.00 C ATOM 1189 CD2 PHE A 72 4.242 -17.310 -20.067 1.00 0.00 C ATOM 1190 CE1 PHE A 72 5.865 -18.613 -21.877 1.00 0.00 C ATOM 1191 CE2 PHE A 72 4.048 -18.652 -20.330 1.00 0.00 C ATOM 1192 CZ PHE A 72 4.859 -19.304 -21.237 1.00 0.00 C ATOM 0 H PHE A 72 4.982 -15.453 -17.939 1.00 0.00 H new ATOM 0 HA PHE A 72 7.436 -15.175 -19.566 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.489 -14.661 -20.165 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.796 -14.615 -21.331 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.851 -16.737 -22.120 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.601 -16.809 -19.357 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.502 -19.121 -22.586 1.00 0.00 H new ATOM 0 HE2 PHE A 72 3.261 -19.192 -19.825 1.00 0.00 H new ATOM 0 HZ PHE A 72 4.706 -20.353 -21.444 1.00 0.00 H new ATOM 1202 N GLN A 73 7.725 -12.679 -18.930 1.00 0.00 N ATOM 1203 CA GLN A 73 7.892 -11.245 -18.564 1.00 0.00 C ATOM 1204 C GLN A 73 9.109 -10.624 -19.271 1.00 0.00 C ATOM 1205 O GLN A 73 9.973 -11.346 -19.776 1.00 0.00 O ATOM 1206 CB GLN A 73 8.039 -11.066 -17.018 1.00 0.00 C ATOM 1207 CG GLN A 73 9.397 -11.502 -16.405 1.00 0.00 C ATOM 1208 CD GLN A 73 9.639 -13.010 -16.456 1.00 0.00 C ATOM 1209 OE1 GLN A 73 10.195 -13.539 -17.424 1.00 0.00 O ATOM 1210 NE2 GLN A 73 9.228 -13.710 -15.414 1.00 0.00 N ATOM 0 H GLN A 73 8.605 -13.170 -19.088 1.00 0.00 H new ATOM 0 HA GLN A 73 6.992 -10.727 -18.894 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.876 -10.015 -16.777 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.245 -11.632 -16.530 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.204 -10.996 -16.935 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.440 -11.171 -15.367 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.772 -13.240 -14.632 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.366 -14.720 -15.392 1.00 0.00 H new ATOM 1219 N ARG A 74 9.185 -9.281 -19.218 1.00 0.00 N ATOM 1220 CA ARG A 74 10.349 -8.504 -19.697 1.00 0.00 C ATOM 1221 C ARG A 74 10.169 -7.025 -19.296 1.00 0.00 C ATOM 1222 O ARG A 74 9.334 -6.693 -18.460 1.00 0.00 O ATOM 1223 CB ARG A 74 10.521 -8.628 -21.246 1.00 0.00 C ATOM 1224 CG ARG A 74 9.370 -8.002 -22.049 1.00 0.00 C ATOM 1225 CD ARG A 74 9.644 -7.881 -23.553 1.00 0.00 C ATOM 1226 NE ARG A 74 8.592 -7.075 -24.198 1.00 0.00 N ATOM 1227 CZ ARG A 74 8.489 -6.832 -25.505 1.00 0.00 C ATOM 1228 NH1 ARG A 74 9.377 -7.295 -26.364 1.00 0.00 N ATOM 1229 NH2 ARG A 74 7.494 -6.097 -25.948 1.00 0.00 N ATOM 0 H ARG A 74 8.437 -8.699 -18.840 1.00 0.00 H new ATOM 0 HA ARG A 74 11.250 -8.906 -19.235 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.457 -8.151 -21.538 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.605 -9.682 -21.510 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.472 -8.602 -21.902 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.160 -7.010 -21.649 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.618 -7.420 -23.717 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.681 -8.872 -24.004 1.00 0.00 H new ATOM 0 HE ARG A 74 7.880 -6.667 -23.591 1.00 0.00 H new ATOM 0 HH11 ARG A 74 10.164 -7.853 -26.033 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.276 -7.095 -27.359 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.809 -5.718 -25.294 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.406 -5.905 -26.946 1.00 0.00 H new ATOM 1243 N ALA A 75 11.033 -6.147 -19.817 1.00 0.00 N ATOM 1244 CA ALA A 75 10.817 -4.687 -19.741 1.00 0.00 C ATOM 1245 C ALA A 75 9.986 -4.131 -20.939 1.00 0.00 C ATOM 1246 O ALA A 75 9.684 -4.830 -21.908 1.00 0.00 O ATOM 1247 CB ALA A 75 12.156 -3.952 -19.606 1.00 0.00 C ATOM 0 H ALA A 75 11.891 -6.417 -20.298 1.00 0.00 H new ATOM 0 HA ALA A 75 10.222 -4.501 -18.847 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.978 -2.878 -19.551 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.663 -4.282 -18.699 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.781 -4.172 -20.471 1.00 0.00 H new ATOM 1253 N ILE A 76 9.677 -2.831 -20.817 1.00 0.00 N ATOM 1254 CA ILE A 76 8.826 -2.119 -21.817 1.00 0.00 C ATOM 1255 C ILE A 76 9.497 -0.789 -22.198 1.00 0.00 C ATOM 1256 O ILE A 76 9.451 0.191 -21.450 1.00 0.00 O ATOM 1257 CB ILE A 76 7.323 -1.874 -21.373 1.00 0.00 C ATOM 1258 CG1 ILE A 76 6.613 -3.185 -20.872 1.00 0.00 C ATOM 1259 CG2 ILE A 76 6.507 -1.246 -22.540 1.00 0.00 C ATOM 1260 CD1 ILE A 76 6.448 -4.304 -21.904 1.00 0.00 C ATOM 0 H ILE A 76 9.995 -2.244 -20.046 1.00 0.00 H new ATOM 0 HA ILE A 76 8.754 -2.784 -22.677 1.00 0.00 H new ATOM 0 HB ILE A 76 7.356 -1.182 -20.531 1.00 0.00 H new ATOM 0 HG12 ILE A 76 7.179 -3.579 -20.028 1.00 0.00 H new ATOM 0 HG13 ILE A 76 5.625 -2.917 -20.497 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.478 -1.084 -22.219 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.953 -0.293 -22.824 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.518 -1.921 -23.396 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.946 -5.154 -21.442 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.851 -3.942 -22.741 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.429 -4.614 -22.265 1.00 0.00 H new ATOM 1272 N THR A 77 10.120 -0.793 -23.378 1.00 0.00 N ATOM 1273 CA THR A 77 10.866 0.344 -23.928 1.00 0.00 C ATOM 1274 C THR A 77 9.920 1.283 -24.695 1.00 0.00 C ATOM 1275 O THR A 77 8.807 0.877 -25.014 1.00 0.00 O ATOM 1276 CB THR A 77 11.973 -0.205 -24.878 1.00 0.00 C ATOM 1277 OG1 THR A 77 11.357 -0.960 -25.935 1.00 0.00 O ATOM 1278 CG2 THR A 77 12.971 -1.107 -24.132 1.00 0.00 C ATOM 0 H THR A 77 10.121 -1.606 -23.994 1.00 0.00 H new ATOM 0 HA THR A 77 11.322 0.914 -23.119 1.00 0.00 H new ATOM 0 HB THR A 77 12.522 0.646 -25.281 1.00 0.00 H new ATOM 0 HG1 THR A 77 12.020 -1.558 -26.339 1.00 0.00 H new ATOM 0 HG21 THR A 77 13.726 -1.469 -24.830 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.454 -0.537 -23.338 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.441 -1.955 -23.699 1.00 0.00 H new ATOM 1286 N LYS A 78 10.352 2.538 -24.952 1.00 0.00 N ATOM 1287 CA LYS A 78 9.598 3.508 -25.802 1.00 0.00 C ATOM 1288 C LYS A 78 9.266 2.891 -27.184 1.00 0.00 C ATOM 1289 O LYS A 78 8.181 3.102 -27.738 1.00 0.00 O ATOM 1290 CB LYS A 78 10.413 4.807 -26.030 1.00 0.00 C ATOM 1291 CG LYS A 78 10.783 5.591 -24.751 1.00 0.00 C ATOM 1292 CD LYS A 78 11.611 6.866 -25.059 1.00 0.00 C ATOM 1293 CE LYS A 78 10.846 7.866 -25.947 1.00 0.00 C ATOM 1294 NZ LYS A 78 11.670 9.038 -26.320 1.00 0.00 N ATOM 0 H LYS A 78 11.226 2.912 -24.583 1.00 0.00 H new ATOM 0 HA LYS A 78 8.676 3.745 -25.271 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.332 4.551 -26.557 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.841 5.464 -26.686 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.871 5.872 -24.223 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.352 4.944 -24.083 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.885 7.352 -24.123 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.539 6.582 -25.554 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.509 7.360 -26.852 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.954 8.206 -25.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.110 9.680 -26.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.971 9.539 -25.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.509 8.719 -26.846 1.00 0.00 H new ATOM 1308 N LYS A 79 10.292 2.228 -27.734 1.00 0.00 N ATOM 1309 CA LYS A 79 10.210 1.307 -28.887 1.00 0.00 C ATOM 1310 C LYS A 79 8.893 0.471 -28.859 1.00 0.00 C ATOM 1311 O LYS A 79 8.164 0.420 -29.858 1.00 0.00 O ATOM 1312 CB LYS A 79 11.460 0.372 -28.888 1.00 0.00 C ATOM 1313 CG LYS A 79 11.528 -0.733 -29.988 1.00 0.00 C ATOM 1314 CD LYS A 79 12.021 -0.242 -31.383 1.00 0.00 C ATOM 1315 CE LYS A 79 10.998 0.603 -32.166 1.00 0.00 C ATOM 1316 NZ LYS A 79 9.726 -0.126 -32.381 1.00 0.00 N ATOM 0 H LYS A 79 11.243 2.319 -27.377 1.00 0.00 H new ATOM 0 HA LYS A 79 10.196 1.896 -29.804 1.00 0.00 H new ATOM 0 HB2 LYS A 79 12.348 0.997 -28.983 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.516 -0.117 -27.915 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.190 -1.527 -29.644 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.537 -1.172 -30.103 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.929 0.346 -31.246 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.291 -1.110 -31.984 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.799 1.527 -31.623 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.422 0.885 -33.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.255 0.241 -33.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 9.923 -1.140 -32.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.106 0.008 -31.557 1.00 0.00 H new ATOM 1330 N GLU A 80 8.606 -0.169 -27.705 1.00 0.00 N ATOM 1331 CA GLU A 80 7.387 -0.989 -27.487 1.00 0.00 C ATOM 1332 C GLU A 80 6.180 -0.139 -27.016 1.00 0.00 C ATOM 1333 O GLU A 80 5.033 -0.594 -27.103 1.00 0.00 O ATOM 1334 CB GLU A 80 7.698 -2.107 -26.455 1.00 0.00 C ATOM 1335 CG GLU A 80 8.852 -3.042 -26.875 1.00 0.00 C ATOM 1336 CD GLU A 80 8.627 -3.698 -28.251 1.00 0.00 C ATOM 1337 OE1 GLU A 80 7.729 -4.552 -28.367 1.00 0.00 O ATOM 1338 OE2 GLU A 80 9.342 -3.358 -29.222 1.00 0.00 O ATOM 0 H GLU A 80 9.217 -0.133 -26.889 1.00 0.00 H new ATOM 0 HA GLU A 80 7.106 -1.432 -28.442 1.00 0.00 H new ATOM 0 HB2 GLU A 80 7.946 -1.646 -25.499 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.799 -2.703 -26.298 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.782 -2.474 -26.897 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.972 -3.821 -26.123 1.00 0.00 H new ATOM 1345 N GLN A 81 6.441 1.110 -26.569 1.00 0.00 N ATOM 1346 CA GLN A 81 5.371 2.047 -26.139 1.00 0.00 C ATOM 1347 C GLN A 81 4.776 2.861 -27.283 1.00 0.00 C ATOM 1348 O GLN A 81 3.692 3.443 -27.118 1.00 0.00 O ATOM 1349 CB GLN A 81 5.916 3.017 -25.056 1.00 0.00 C ATOM 1350 CG GLN A 81 6.350 2.344 -23.740 1.00 0.00 C ATOM 1351 CD GLN A 81 7.086 3.286 -22.781 1.00 0.00 C ATOM 1352 OE1 GLN A 81 6.820 4.486 -22.741 1.00 0.00 O ATOM 1353 NE2 GLN A 81 8.030 2.755 -22.017 1.00 0.00 N ATOM 0 H GLN A 81 7.383 1.495 -26.496 1.00 0.00 H new ATOM 0 HA GLN A 81 4.570 1.426 -25.737 1.00 0.00 H new ATOM 0 HB2 GLN A 81 6.768 3.557 -25.469 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.148 3.757 -24.832 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.469 1.945 -23.238 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.996 1.497 -23.971 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.229 1.756 -22.072 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.558 3.345 -21.374 1.00 0.00 H new ATOM 1362 N ALA A 82 5.457 2.914 -28.438 1.00 0.00 N ATOM 1363 CA ALA A 82 4.969 3.670 -29.599 1.00 0.00 C ATOM 1364 C ALA A 82 3.906 2.841 -30.331 1.00 0.00 C ATOM 1365 O ALA A 82 3.062 3.376 -31.054 1.00 0.00 O ATOM 1366 CB ALA A 82 6.139 4.005 -30.531 1.00 0.00 C ATOM 0 H ALA A 82 6.348 2.442 -28.592 1.00 0.00 H new ATOM 0 HA ALA A 82 4.519 4.606 -29.269 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.771 4.566 -31.390 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.872 4.606 -29.993 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.607 3.082 -30.874 1.00 0.00 H new ATOM 1372 N ASP A 83 3.993 1.518 -30.129 1.00 0.00 N ATOM 1373 CA ASP A 83 3.016 0.536 -30.588 1.00 0.00 C ATOM 1374 C ASP A 83 2.381 -0.091 -29.342 1.00 0.00 C ATOM 1375 O ASP A 83 2.439 -1.301 -29.161 1.00 0.00 O ATOM 1376 CB ASP A 83 3.704 -0.555 -31.468 1.00 0.00 C ATOM 1377 CG ASP A 83 4.292 -0.008 -32.769 1.00 0.00 C ATOM 1378 OD1 ASP A 83 5.441 0.479 -32.760 1.00 0.00 O ATOM 1379 OD2 ASP A 83 3.599 -0.051 -33.809 1.00 0.00 O ATOM 0 H ASP A 83 4.772 1.095 -29.625 1.00 0.00 H new ATOM 0 HA ASP A 83 2.254 1.012 -31.205 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.498 -1.029 -30.891 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.976 -1.331 -31.705 1.00 0.00 H new ATOM 1384 N MET A 84 1.805 0.756 -28.460 1.00 0.00 N ATOM 1385 CA MET A 84 1.142 0.289 -27.224 1.00 0.00 C ATOM 1386 C MET A 84 -0.094 -0.571 -27.543 1.00 0.00 C ATOM 1387 O MET A 84 -0.401 -1.525 -26.826 1.00 0.00 O ATOM 1388 CB MET A 84 0.750 1.493 -26.313 1.00 0.00 C ATOM 1389 CG MET A 84 0.968 1.210 -24.836 1.00 0.00 C ATOM 1390 SD MET A 84 2.714 0.878 -24.544 1.00 0.00 S ATOM 1391 CE MET A 84 2.697 0.084 -22.967 1.00 0.00 C ATOM 0 H MET A 84 1.787 1.768 -28.583 1.00 0.00 H new ATOM 0 HA MET A 84 1.855 -0.334 -26.683 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.335 2.366 -26.601 1.00 0.00 H new ATOM 0 HB3 MET A 84 -0.298 1.743 -26.480 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.643 2.062 -24.239 1.00 0.00 H new ATOM 0 HG3 MET A 84 0.367 0.356 -24.525 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.667 0.209 -22.486 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.923 0.530 -22.343 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.491 -0.978 -23.097 1.00 0.00 H new ATOM 1401 N GLY A 85 -0.772 -0.201 -28.640 1.00 0.00 N ATOM 1402 CA GLY A 85 -1.904 -0.959 -29.160 1.00 0.00 C ATOM 1403 C GLY A 85 -1.523 -2.357 -29.603 1.00 0.00 C ATOM 1404 O GLY A 85 -2.128 -3.329 -29.172 1.00 0.00 O ATOM 0 H GLY A 85 -0.546 0.631 -29.185 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.675 -1.024 -28.392 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.338 -0.422 -30.003 1.00 0.00 H new ATOM 1408 N LYS A 86 -0.493 -2.427 -30.450 1.00 0.00 N ATOM 1409 CA LYS A 86 0.016 -3.677 -31.046 1.00 0.00 C ATOM 1410 C LYS A 86 0.621 -4.598 -29.965 1.00 0.00 C ATOM 1411 O LYS A 86 0.345 -5.807 -29.931 1.00 0.00 O ATOM 1412 CB LYS A 86 1.070 -3.298 -32.123 1.00 0.00 C ATOM 1413 CG LYS A 86 1.719 -4.475 -32.885 1.00 0.00 C ATOM 1414 CD LYS A 86 2.736 -3.999 -33.957 1.00 0.00 C ATOM 1415 CE LYS A 86 2.084 -3.174 -35.081 1.00 0.00 C ATOM 1416 NZ LYS A 86 3.084 -2.705 -36.077 1.00 0.00 N ATOM 0 H LYS A 86 0.025 -1.602 -30.751 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.800 -4.233 -31.508 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.595 -2.639 -32.850 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.861 -2.724 -31.641 1.00 0.00 H new ATOM 0 HG2 LYS A 86 2.224 -5.129 -32.175 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.940 -5.067 -33.365 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.509 -3.400 -33.476 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.231 -4.868 -34.392 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.328 -3.778 -35.583 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.571 -2.315 -34.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.605 -2.154 -36.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.792 -2.108 -35.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.556 -3.525 -36.508 1.00 0.00 H new ATOM 1430 N LEU A 87 1.448 -3.991 -29.095 1.00 0.00 N ATOM 1431 CA LEU A 87 2.080 -4.655 -27.941 1.00 0.00 C ATOM 1432 C LEU A 87 1.018 -5.329 -27.038 1.00 0.00 C ATOM 1433 O LEU A 87 1.046 -6.546 -26.853 1.00 0.00 O ATOM 1434 CB LEU A 87 2.942 -3.626 -27.138 1.00 0.00 C ATOM 1435 CG LEU A 87 3.465 -4.077 -25.742 1.00 0.00 C ATOM 1436 CD1 LEU A 87 4.417 -5.289 -25.846 1.00 0.00 C ATOM 1437 CD2 LEU A 87 4.119 -2.904 -24.976 1.00 0.00 C ATOM 0 H LEU A 87 1.701 -3.006 -29.176 1.00 0.00 H new ATOM 0 HA LEU A 87 2.739 -5.442 -28.308 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.802 -3.354 -27.750 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.349 -2.721 -27.001 1.00 0.00 H new ATOM 0 HG LEU A 87 2.599 -4.402 -25.165 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.758 -5.570 -24.850 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.889 -6.128 -26.299 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.276 -5.025 -26.462 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.473 -3.255 -24.006 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.961 -2.518 -25.551 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.386 -2.111 -24.830 1.00 0.00 H new ATOM 1449 N LYS A 88 0.061 -4.532 -26.538 1.00 0.00 N ATOM 1450 CA LYS A 88 -1.001 -5.019 -25.625 1.00 0.00 C ATOM 1451 C LYS A 88 -2.043 -5.915 -26.313 1.00 0.00 C ATOM 1452 O LYS A 88 -2.688 -6.720 -25.631 1.00 0.00 O ATOM 1453 CB LYS A 88 -1.716 -3.821 -24.960 1.00 0.00 C ATOM 1454 CG LYS A 88 -0.849 -3.070 -23.934 1.00 0.00 C ATOM 1455 CD LYS A 88 -1.660 -2.022 -23.156 1.00 0.00 C ATOM 1456 CE LYS A 88 -0.856 -1.375 -22.030 1.00 0.00 C ATOM 1457 NZ LYS A 88 -1.687 -0.432 -21.245 1.00 0.00 N ATOM 0 H LYS A 88 -0.004 -3.536 -26.750 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.500 -5.634 -24.877 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.032 -3.123 -25.735 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.619 -4.178 -24.466 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.413 -3.784 -23.235 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.021 -2.581 -24.447 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.002 -1.249 -23.844 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.550 -2.493 -22.738 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.461 -2.149 -21.372 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.000 -0.846 -22.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.112 -0.010 -20.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.043 0.319 -21.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.490 -0.943 -20.825 1.00 0.00 H new ATOM 1471 N LYS A 89 -2.204 -5.756 -27.644 1.00 0.00 N ATOM 1472 CA LYS A 89 -3.238 -6.483 -28.420 1.00 0.00 C ATOM 1473 C LYS A 89 -3.062 -8.002 -28.242 1.00 0.00 C ATOM 1474 O LYS A 89 -3.960 -8.698 -27.758 1.00 0.00 O ATOM 1475 CB LYS A 89 -3.165 -6.131 -29.937 1.00 0.00 C ATOM 1476 CG LYS A 89 -4.260 -6.799 -30.808 1.00 0.00 C ATOM 1477 CD LYS A 89 -4.050 -6.598 -32.329 1.00 0.00 C ATOM 1478 CE LYS A 89 -2.775 -7.287 -32.853 1.00 0.00 C ATOM 1479 NZ LYS A 89 -2.665 -7.187 -34.326 1.00 0.00 N ATOM 0 H LYS A 89 -1.630 -5.129 -28.208 1.00 0.00 H new ATOM 0 HA LYS A 89 -4.212 -6.176 -28.041 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -3.239 -5.049 -30.050 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -2.187 -6.425 -30.318 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -4.284 -7.867 -30.591 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -5.233 -6.395 -30.527 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -4.915 -6.989 -32.865 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -3.996 -5.531 -32.546 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.899 -6.832 -32.391 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.781 -8.337 -32.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.795 -7.662 -34.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -3.489 -7.644 -34.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -2.634 -6.185 -34.605 1.00 0.00 H new ATOM 1493 N SER A 90 -1.869 -8.464 -28.635 1.00 0.00 N ATOM 1494 CA SER A 90 -1.465 -9.870 -28.616 1.00 0.00 C ATOM 1495 C SER A 90 -1.607 -10.498 -27.211 1.00 0.00 C ATOM 1496 O SER A 90 -2.316 -11.502 -27.018 1.00 0.00 O ATOM 1497 CB SER A 90 0.007 -9.929 -29.092 1.00 0.00 C ATOM 1498 OG SER A 90 0.153 -9.318 -30.368 1.00 0.00 O ATOM 0 H SER A 90 -1.136 -7.847 -28.986 1.00 0.00 H new ATOM 0 HA SER A 90 -2.116 -10.447 -29.273 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.648 -9.426 -28.368 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.336 -10.967 -29.142 1.00 0.00 H new ATOM 0 HG SER A 90 1.091 -9.365 -30.648 1.00 0.00 H new ATOM 1504 N VAL A 91 -0.937 -9.857 -26.249 1.00 0.00 N ATOM 1505 CA VAL A 91 -0.721 -10.418 -24.897 1.00 0.00 C ATOM 1506 C VAL A 91 -2.032 -10.454 -24.081 1.00 0.00 C ATOM 1507 O VAL A 91 -2.348 -11.468 -23.445 1.00 0.00 O ATOM 1508 CB VAL A 91 0.357 -9.595 -24.095 1.00 0.00 C ATOM 1509 CG1 VAL A 91 1.008 -10.442 -22.973 1.00 0.00 C ATOM 1510 CG2 VAL A 91 1.421 -8.992 -25.028 1.00 0.00 C ATOM 0 H VAL A 91 -0.525 -8.933 -26.378 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.361 -11.437 -25.040 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.166 -8.767 -23.616 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.746 -9.839 -22.443 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.240 -10.772 -22.274 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.498 -11.312 -23.411 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.147 -8.432 -24.438 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.930 -9.793 -25.565 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.941 -8.324 -25.743 1.00 0.00 H new ATOM 1520 N ARG A 92 -2.758 -9.314 -24.121 1.00 0.00 N ATOM 1521 CA ARG A 92 -4.023 -9.055 -23.385 1.00 0.00 C ATOM 1522 C ARG A 92 -3.768 -8.853 -21.875 1.00 0.00 C ATOM 1523 O ARG A 92 -3.985 -7.760 -21.345 1.00 0.00 O ATOM 1524 CB ARG A 92 -5.096 -10.154 -23.613 1.00 0.00 C ATOM 1525 CG ARG A 92 -6.508 -9.788 -23.096 1.00 0.00 C ATOM 1526 CD ARG A 92 -7.468 -10.984 -23.082 1.00 0.00 C ATOM 1527 NE ARG A 92 -7.071 -11.995 -22.080 1.00 0.00 N ATOM 1528 CZ ARG A 92 -7.508 -13.260 -22.030 1.00 0.00 C ATOM 1529 NH1 ARG A 92 -8.318 -13.750 -22.960 1.00 0.00 N ATOM 1530 NH2 ARG A 92 -7.121 -14.039 -21.040 1.00 0.00 N ATOM 0 H ARG A 92 -2.470 -8.516 -24.688 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.424 -8.129 -23.798 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -5.158 -10.368 -24.680 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.769 -11.071 -23.122 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -6.426 -9.383 -22.087 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.926 -9.001 -23.723 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -8.478 -10.636 -22.867 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.492 -11.442 -24.071 1.00 0.00 H new ATOM 0 HE ARG A 92 -6.406 -11.704 -21.364 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -8.621 -13.160 -23.735 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -8.637 -14.717 -22.900 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -6.494 -13.677 -20.321 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -7.448 -15.004 -20.993 1.00 0.00 H new ATOM 1544 N GLY A 93 -3.283 -9.918 -21.191 1.00 0.00 N ATOM 1545 CA GLY A 93 -3.002 -9.888 -19.742 1.00 0.00 C ATOM 1546 C GLY A 93 -1.670 -9.211 -19.376 1.00 0.00 C ATOM 1547 O GLY A 93 -1.179 -9.380 -18.253 1.00 0.00 O ATOM 0 H GLY A 93 -3.078 -10.816 -21.629 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.814 -9.366 -19.236 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.994 -10.910 -19.363 1.00 0.00 H new ATOM 1551 N LEU A 94 -1.098 -8.468 -20.338 1.00 0.00 N ATOM 1552 CA LEU A 94 0.133 -7.689 -20.137 1.00 0.00 C ATOM 1553 C LEU A 94 -0.085 -6.571 -19.101 1.00 0.00 C ATOM 1554 O LEU A 94 -0.917 -5.678 -19.288 1.00 0.00 O ATOM 1555 CB LEU A 94 0.643 -7.111 -21.475 1.00 0.00 C ATOM 1556 CG LEU A 94 1.922 -6.226 -21.404 1.00 0.00 C ATOM 1557 CD1 LEU A 94 3.061 -6.909 -20.617 1.00 0.00 C ATOM 1558 CD2 LEU A 94 2.385 -5.818 -22.811 1.00 0.00 C ATOM 0 H LEU A 94 -1.479 -8.391 -21.281 1.00 0.00 H new ATOM 0 HA LEU A 94 0.897 -8.362 -19.748 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.839 -7.941 -22.153 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.158 -6.519 -21.919 1.00 0.00 H new ATOM 0 HG LEU A 94 1.658 -5.322 -20.856 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.932 -6.254 -20.595 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.730 -7.108 -19.598 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.326 -7.848 -21.102 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.280 -5.200 -22.735 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.609 -6.712 -23.394 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.595 -5.252 -23.304 1.00 0.00 H new ATOM 1570 N VAL A 95 0.705 -6.637 -18.030 1.00 0.00 N ATOM 1571 CA VAL A 95 0.716 -5.711 -16.899 1.00 0.00 C ATOM 1572 C VAL A 95 1.917 -4.788 -17.128 1.00 0.00 C ATOM 1573 O VAL A 95 3.038 -5.280 -17.180 1.00 0.00 O ATOM 1574 CB VAL A 95 0.862 -6.475 -15.524 1.00 0.00 C ATOM 1575 CG1 VAL A 95 0.879 -5.492 -14.320 1.00 0.00 C ATOM 1576 CG2 VAL A 95 -0.251 -7.543 -15.368 1.00 0.00 C ATOM 0 H VAL A 95 1.394 -7.381 -17.923 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.221 -5.156 -16.842 1.00 0.00 H new ATOM 0 HB VAL A 95 1.823 -6.989 -15.530 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.981 -6.055 -13.392 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.720 -4.806 -14.422 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.052 -4.925 -14.300 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.131 -8.057 -14.414 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.227 -7.059 -15.399 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.178 -8.265 -16.181 1.00 0.00 H new ATOM 1586 N VAL A 96 1.694 -3.467 -17.252 1.00 0.00 N ATOM 1587 CA VAL A 96 2.734 -2.509 -17.694 1.00 0.00 C ATOM 1588 C VAL A 96 2.860 -1.401 -16.641 1.00 0.00 C ATOM 1589 O VAL A 96 1.996 -0.517 -16.554 1.00 0.00 O ATOM 1590 CB VAL A 96 2.397 -1.860 -19.093 1.00 0.00 C ATOM 1591 CG1 VAL A 96 3.540 -0.941 -19.567 1.00 0.00 C ATOM 1592 CG2 VAL A 96 2.077 -2.923 -20.162 1.00 0.00 C ATOM 0 H VAL A 96 0.794 -3.031 -17.051 1.00 0.00 H new ATOM 0 HA VAL A 96 3.670 -3.056 -17.805 1.00 0.00 H new ATOM 0 HB VAL A 96 1.501 -1.255 -18.955 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.281 -0.507 -20.533 1.00 0.00 H new ATOM 0 HG12 VAL A 96 3.691 -0.143 -18.840 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.457 -1.522 -19.664 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.851 -2.431 -21.108 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.937 -3.580 -20.291 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.216 -3.511 -19.844 1.00 0.00 H new ATOM 1602 N VAL A 97 3.923 -1.463 -15.840 1.00 0.00 N ATOM 1603 CA VAL A 97 4.140 -0.591 -14.681 1.00 0.00 C ATOM 1604 C VAL A 97 5.096 0.549 -15.093 1.00 0.00 C ATOM 1605 O VAL A 97 6.241 0.279 -15.481 1.00 0.00 O ATOM 1606 CB VAL A 97 4.758 -1.428 -13.496 1.00 0.00 C ATOM 1607 CG1 VAL A 97 4.876 -0.587 -12.204 1.00 0.00 C ATOM 1608 CG2 VAL A 97 3.956 -2.741 -13.244 1.00 0.00 C ATOM 0 H VAL A 97 4.676 -2.136 -15.980 1.00 0.00 H new ATOM 0 HA VAL A 97 3.194 -0.167 -14.346 1.00 0.00 H new ATOM 0 HB VAL A 97 5.767 -1.711 -13.795 1.00 0.00 H new ATOM 0 HG11 VAL A 97 5.306 -1.198 -11.410 1.00 0.00 H new ATOM 0 HG12 VAL A 97 5.519 0.274 -12.388 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.887 -0.243 -11.902 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.410 -3.292 -12.421 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.925 -2.495 -12.991 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.971 -3.355 -14.144 1.00 0.00 H new ATOM 1618 N HIS A 98 4.627 1.812 -15.025 1.00 0.00 N ATOM 1619 CA HIS A 98 5.426 3.000 -15.393 1.00 0.00 C ATOM 1620 C HIS A 98 6.164 3.500 -14.123 1.00 0.00 C ATOM 1621 O HIS A 98 5.573 3.470 -13.051 1.00 0.00 O ATOM 1622 CB HIS A 98 4.477 4.103 -15.962 1.00 0.00 C ATOM 1623 CG HIS A 98 5.176 5.343 -16.472 1.00 0.00 C ATOM 1624 ND1 HIS A 98 5.648 6.307 -15.618 1.00 0.00 N ATOM 1625 CD2 HIS A 98 5.518 5.690 -17.739 1.00 0.00 C ATOM 1626 CE1 HIS A 98 6.267 7.195 -16.373 1.00 0.00 C ATOM 1627 NE2 HIS A 98 6.215 6.860 -17.660 1.00 0.00 N ATOM 0 H HIS A 98 3.682 2.037 -14.713 1.00 0.00 H new ATOM 0 HA HIS A 98 6.160 2.755 -16.161 1.00 0.00 H new ATOM 0 HB2 HIS A 98 3.891 3.674 -16.775 1.00 0.00 H new ATOM 0 HB3 HIS A 98 3.774 4.395 -15.182 1.00 0.00 H new ATOM 0 HD2 HIS A 98 5.283 5.143 -18.640 1.00 0.00 H new ATOM 0 HE1 HIS A 98 6.754 8.081 -15.994 1.00 0.00 H new ATOM 0 HE2 HIS A 98 6.619 7.379 -18.439 1.00 0.00 H new ATOM 1635 N PRO A 99 7.449 3.981 -14.213 1.00 0.00 N ATOM 1636 CA PRO A 99 8.253 4.403 -13.021 1.00 0.00 C ATOM 1637 C PRO A 99 7.618 5.537 -12.162 1.00 0.00 C ATOM 1638 O PRO A 99 7.984 5.709 -10.994 1.00 0.00 O ATOM 1639 CB PRO A 99 9.599 4.871 -13.651 1.00 0.00 C ATOM 1640 CG PRO A 99 9.284 5.151 -15.085 1.00 0.00 C ATOM 1641 CD PRO A 99 8.244 4.127 -15.459 1.00 0.00 C ATOM 0 HA PRO A 99 8.341 3.583 -12.309 1.00 0.00 H new ATOM 0 HB2 PRO A 99 9.980 5.761 -13.150 1.00 0.00 H new ATOM 0 HB3 PRO A 99 10.365 4.101 -13.559 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.906 6.165 -15.216 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.172 5.059 -15.710 1.00 0.00 H new ATOM 0 HD2 PRO A 99 7.628 4.464 -16.293 1.00 0.00 H new ATOM 0 HD3 PRO A 99 8.698 3.183 -15.760 1.00 0.00 H new ATOM 1649 N MET A 100 6.676 6.302 -12.751 1.00 0.00 N ATOM 1650 CA MET A 100 6.040 7.444 -12.052 1.00 0.00 C ATOM 1651 C MET A 100 4.665 7.085 -11.465 1.00 0.00 C ATOM 1652 O MET A 100 4.036 7.935 -10.822 1.00 0.00 O ATOM 1653 CB MET A 100 5.923 8.672 -12.978 1.00 0.00 C ATOM 1654 CG MET A 100 7.258 9.180 -13.527 1.00 0.00 C ATOM 1655 SD MET A 100 7.120 10.836 -14.238 1.00 0.00 S ATOM 1656 CE MET A 100 5.707 10.645 -15.332 1.00 0.00 C ATOM 0 H MET A 100 6.339 6.153 -13.702 1.00 0.00 H new ATOM 0 HA MET A 100 6.694 7.695 -11.217 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.272 8.420 -13.815 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.438 9.480 -12.430 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.997 9.191 -12.726 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.622 8.489 -14.288 1.00 0.00 H new ATOM 0 HE1 MET A 100 5.441 11.614 -15.756 1.00 0.00 H new ATOM 0 HE2 MET A 100 5.960 9.954 -16.136 1.00 0.00 H new ATOM 0 HE3 MET A 100 4.861 10.251 -14.768 1.00 0.00 H new ATOM 1666 N THR A 101 4.215 5.831 -11.655 1.00 0.00 N ATOM 1667 CA THR A 101 2.971 5.322 -11.022 1.00 0.00 C ATOM 1668 C THR A 101 3.167 5.142 -9.513 1.00 0.00 C ATOM 1669 O THR A 101 4.252 5.414 -8.981 1.00 0.00 O ATOM 1670 CB THR A 101 2.463 3.965 -11.649 1.00 0.00 C ATOM 1671 OG1 THR A 101 3.436 2.923 -11.484 1.00 0.00 O ATOM 1672 CG2 THR A 101 2.116 4.128 -13.134 1.00 0.00 C ATOM 0 H THR A 101 4.691 5.146 -12.242 1.00 0.00 H new ATOM 0 HA THR A 101 2.207 6.075 -11.214 1.00 0.00 H new ATOM 0 HB THR A 101 1.556 3.684 -11.114 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.147 3.031 -12.150 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.770 3.175 -13.534 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.330 4.875 -13.244 1.00 0.00 H new ATOM 0 HG23 THR A 101 3.002 4.451 -13.681 1.00 0.00 H new ATOM 1680 N ALA A 102 2.097 4.706 -8.825 1.00 0.00 N ATOM 1681 CA ALA A 102 2.153 4.376 -7.402 1.00 0.00 C ATOM 1682 C ALA A 102 3.217 3.293 -7.164 1.00 0.00 C ATOM 1683 O ALA A 102 4.265 3.574 -6.562 1.00 0.00 O ATOM 1684 CB ALA A 102 0.769 3.941 -6.886 1.00 0.00 C ATOM 0 H ALA A 102 1.176 4.575 -9.243 1.00 0.00 H new ATOM 0 HA ALA A 102 2.438 5.264 -6.838 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.835 3.700 -5.825 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.055 4.752 -7.030 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.435 3.062 -7.437 1.00 0.00 H new ATOM 1690 N LEU A 103 2.954 2.063 -7.660 1.00 0.00 N ATOM 1691 CA LEU A 103 3.850 0.900 -7.499 1.00 0.00 C ATOM 1692 C LEU A 103 5.208 1.165 -8.202 1.00 0.00 C ATOM 1693 O LEU A 103 6.265 0.763 -7.711 1.00 0.00 O ATOM 1694 CB LEU A 103 3.168 -0.352 -8.129 1.00 0.00 C ATOM 1695 CG LEU A 103 3.781 -1.739 -7.746 1.00 0.00 C ATOM 1696 CD1 LEU A 103 3.644 -2.022 -6.225 1.00 0.00 C ATOM 1697 CD2 LEU A 103 3.159 -2.877 -8.599 1.00 0.00 C ATOM 0 H LEU A 103 2.107 1.850 -8.187 1.00 0.00 H new ATOM 0 HA LEU A 103 4.036 0.730 -6.438 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.117 -0.351 -7.841 1.00 0.00 H new ATOM 0 HB3 LEU A 103 3.201 -0.251 -9.214 1.00 0.00 H new ATOM 0 HG LEU A 103 4.847 -1.704 -7.970 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.080 -2.994 -5.995 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.166 -1.248 -5.662 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.590 -2.023 -5.949 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.603 -3.831 -8.313 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.083 -2.912 -8.430 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.354 -2.689 -9.655 1.00 0.00 H new ATOM 1709 N GLY A 104 5.112 1.793 -9.390 1.00 0.00 N ATOM 1710 CA GLY A 104 6.267 2.324 -10.115 1.00 0.00 C ATOM 1711 C GLY A 104 7.257 3.110 -9.280 1.00 0.00 C ATOM 1712 O GLY A 104 8.473 2.930 -9.441 1.00 0.00 O ATOM 0 H GLY A 104 4.225 1.943 -9.870 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.793 1.492 -10.584 1.00 0.00 H new ATOM 0 HA3 GLY A 104 5.906 2.966 -10.918 1.00 0.00 H new ATOM 1716 N ARG A 105 6.781 3.981 -8.367 1.00 0.00 N ATOM 1717 CA ARG A 105 7.669 4.704 -7.461 1.00 0.00 C ATOM 1718 C ARG A 105 7.976 3.846 -6.233 1.00 0.00 C ATOM 1719 O ARG A 105 9.067 3.957 -5.674 1.00 0.00 O ATOM 1720 CB ARG A 105 7.052 6.059 -7.000 1.00 0.00 C ATOM 1721 CG ARG A 105 6.826 7.097 -8.119 1.00 0.00 C ATOM 1722 CD ARG A 105 6.384 8.469 -7.563 1.00 0.00 C ATOM 1723 NE ARG A 105 6.125 9.472 -8.619 1.00 0.00 N ATOM 1724 CZ ARG A 105 5.464 10.636 -8.433 1.00 0.00 C ATOM 1725 NH1 ARG A 105 4.937 10.949 -7.254 1.00 0.00 N ATOM 1726 NH2 ARG A 105 5.340 11.487 -9.439 1.00 0.00 N ATOM 0 H ARG A 105 5.791 4.194 -8.245 1.00 0.00 H new ATOM 0 HA ARG A 105 8.587 4.918 -8.008 1.00 0.00 H new ATOM 0 HB2 ARG A 105 6.096 5.858 -6.516 1.00 0.00 H new ATOM 0 HB3 ARG A 105 7.705 6.499 -6.246 1.00 0.00 H new ATOM 0 HG2 ARG A 105 7.746 7.218 -8.691 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.068 6.726 -8.809 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.481 8.338 -6.967 1.00 0.00 H new ATOM 0 HD3 ARG A 105 7.156 8.848 -6.893 1.00 0.00 H new ATOM 0 HE ARG A 105 6.471 9.270 -9.557 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.028 10.305 -6.468 1.00 0.00 H new ATOM 0 HH12 ARG A 105 4.442 11.833 -7.135 1.00 0.00 H new ATOM 0 HH21 ARG A 105 5.742 11.263 -10.349 1.00 0.00 H new ATOM 0 HH22 ARG A 105 4.842 12.367 -9.304 1.00 0.00 H new ATOM 1740 N GLU A 106 7.017 2.988 -5.805 1.00 0.00 N ATOM 1741 CA GLU A 106 7.099 2.243 -4.545 1.00 0.00 C ATOM 1742 C GLU A 106 8.214 1.189 -4.595 1.00 0.00 C ATOM 1743 O GLU A 106 9.143 1.241 -3.784 1.00 0.00 O ATOM 1744 CB GLU A 106 5.727 1.574 -4.226 1.00 0.00 C ATOM 1745 CG GLU A 106 5.596 1.007 -2.798 1.00 0.00 C ATOM 1746 CD GLU A 106 5.661 2.110 -1.718 1.00 0.00 C ATOM 1747 OE1 GLU A 106 4.633 2.781 -1.488 1.00 0.00 O ATOM 1748 OE2 GLU A 106 6.736 2.325 -1.112 1.00 0.00 O ATOM 0 H GLU A 106 6.165 2.800 -6.334 1.00 0.00 H new ATOM 0 HA GLU A 106 7.342 2.947 -3.749 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.936 2.308 -4.384 1.00 0.00 H new ATOM 0 HB3 GLU A 106 5.559 0.766 -4.938 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.652 0.470 -2.708 1.00 0.00 H new ATOM 0 HG3 GLU A 106 6.392 0.283 -2.623 1.00 0.00 H new ATOM 1755 N MET A 107 8.125 0.216 -5.547 1.00 0.00 N ATOM 1756 CA MET A 107 9.183 -0.799 -5.761 1.00 0.00 C ATOM 1757 C MET A 107 10.482 -0.133 -6.305 1.00 0.00 C ATOM 1758 O MET A 107 11.510 -0.792 -6.431 1.00 0.00 O ATOM 1759 CB MET A 107 8.689 -1.927 -6.739 1.00 0.00 C ATOM 1760 CG MET A 107 7.477 -2.774 -6.246 1.00 0.00 C ATOM 1761 SD MET A 107 7.354 -4.419 -7.012 1.00 0.00 S ATOM 1762 CE MET A 107 6.975 -4.078 -8.732 1.00 0.00 C ATOM 0 H MET A 107 7.328 0.119 -6.176 1.00 0.00 H new ATOM 0 HA MET A 107 9.409 -1.259 -4.799 1.00 0.00 H new ATOM 0 HB2 MET A 107 8.422 -1.465 -7.690 1.00 0.00 H new ATOM 0 HB3 MET A 107 9.523 -2.601 -6.935 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.548 -2.894 -5.165 1.00 0.00 H new ATOM 0 HG3 MET A 107 6.558 -2.223 -6.446 1.00 0.00 H new ATOM 0 HE1 MET A 107 6.882 -5.017 -9.277 1.00 0.00 H new ATOM 0 HE2 MET A 107 6.037 -3.527 -8.795 1.00 0.00 H new ATOM 0 HE3 MET A 107 7.776 -3.482 -9.170 1.00 0.00 H new ATOM 1772 N GLY A 108 10.397 1.176 -6.640 1.00 0.00 N ATOM 1773 CA GLY A 108 11.569 1.996 -6.956 1.00 0.00 C ATOM 1774 C GLY A 108 12.052 1.839 -8.385 1.00 0.00 C ATOM 1775 O GLY A 108 13.262 1.886 -8.644 1.00 0.00 O ATOM 0 H GLY A 108 9.514 1.683 -6.696 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.328 3.044 -6.776 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.380 1.734 -6.276 1.00 0.00 H new ATOM 1779 N LEU A 109 11.105 1.665 -9.319 1.00 0.00 N ATOM 1780 CA LEU A 109 11.416 1.517 -10.749 1.00 0.00 C ATOM 1781 C LEU A 109 11.750 2.901 -11.340 1.00 0.00 C ATOM 1782 O LEU A 109 11.134 3.901 -10.968 1.00 0.00 O ATOM 1783 CB LEU A 109 10.223 0.870 -11.511 1.00 0.00 C ATOM 1784 CG LEU A 109 9.696 -0.499 -10.954 1.00 0.00 C ATOM 1785 CD1 LEU A 109 8.499 -1.017 -11.784 1.00 0.00 C ATOM 1786 CD2 LEU A 109 10.818 -1.572 -10.882 1.00 0.00 C ATOM 0 H LEU A 109 10.108 1.623 -9.107 1.00 0.00 H new ATOM 0 HA LEU A 109 12.277 0.858 -10.861 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.395 1.579 -11.513 1.00 0.00 H new ATOM 0 HB3 LEU A 109 10.520 0.724 -12.549 1.00 0.00 H new ATOM 0 HG LEU A 109 9.354 -0.315 -9.935 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.156 -1.967 -11.374 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.687 -0.290 -11.745 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.809 -1.159 -12.819 1.00 0.00 H new ATOM 0 HD21 LEU A 109 10.407 -2.503 -10.491 1.00 0.00 H new ATOM 0 HD22 LEU A 109 11.221 -1.745 -11.880 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.614 -1.222 -10.225 1.00 0.00 H new ATOM 1798 N GLU A 110 12.740 2.945 -12.240 1.00 0.00 N ATOM 1799 CA GLU A 110 13.148 4.172 -12.973 1.00 0.00 C ATOM 1800 C GLU A 110 12.988 3.959 -14.498 1.00 0.00 C ATOM 1801 O GLU A 110 13.403 4.785 -15.316 1.00 0.00 O ATOM 1802 CB GLU A 110 14.604 4.534 -12.602 1.00 0.00 C ATOM 1803 CG GLU A 110 15.619 3.420 -12.894 1.00 0.00 C ATOM 1804 CD GLU A 110 17.052 3.776 -12.464 1.00 0.00 C ATOM 1805 OE1 GLU A 110 17.372 3.630 -11.268 1.00 0.00 O ATOM 1806 OE2 GLU A 110 17.850 4.224 -13.315 1.00 0.00 O ATOM 0 H GLU A 110 13.293 2.125 -12.490 1.00 0.00 H new ATOM 0 HA GLU A 110 12.504 5.003 -12.686 1.00 0.00 H new ATOM 0 HB2 GLU A 110 14.896 5.430 -13.150 1.00 0.00 H new ATOM 0 HB3 GLU A 110 14.647 4.781 -11.541 1.00 0.00 H new ATOM 0 HG2 GLU A 110 15.308 2.511 -12.380 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.611 3.201 -13.962 1.00 0.00 H new ATOM 1813 N GLU A 111 12.350 2.839 -14.836 1.00 0.00 N ATOM 1814 CA GLU A 111 12.038 2.454 -16.223 1.00 0.00 C ATOM 1815 C GLU A 111 10.713 1.681 -16.243 1.00 0.00 C ATOM 1816 O GLU A 111 10.353 1.025 -15.249 1.00 0.00 O ATOM 1817 CB GLU A 111 13.186 1.598 -16.844 1.00 0.00 C ATOM 1818 CG GLU A 111 13.481 0.240 -16.147 1.00 0.00 C ATOM 1819 CD GLU A 111 14.079 0.368 -14.730 1.00 0.00 C ATOM 1820 OE1 GLU A 111 15.302 0.572 -14.614 1.00 0.00 O ATOM 1821 OE2 GLU A 111 13.324 0.276 -13.728 1.00 0.00 O ATOM 0 H GLU A 111 12.028 2.159 -14.147 1.00 0.00 H new ATOM 0 HA GLU A 111 11.943 3.356 -16.828 1.00 0.00 H new ATOM 0 HB2 GLU A 111 12.941 1.402 -17.888 1.00 0.00 H new ATOM 0 HB3 GLU A 111 14.099 2.193 -16.837 1.00 0.00 H new ATOM 0 HG2 GLU A 111 12.555 -0.333 -16.087 1.00 0.00 H new ATOM 0 HG3 GLU A 111 14.170 -0.332 -16.769 1.00 0.00 H new ATOM 1828 N MET A 112 9.965 1.798 -17.356 1.00 0.00 N ATOM 1829 CA MET A 112 8.712 1.061 -17.552 1.00 0.00 C ATOM 1830 C MET A 112 9.025 -0.428 -17.793 1.00 0.00 C ATOM 1831 O MET A 112 9.794 -0.791 -18.696 1.00 0.00 O ATOM 1832 CB MET A 112 7.873 1.629 -18.730 1.00 0.00 C ATOM 1833 CG MET A 112 6.591 0.826 -18.991 1.00 0.00 C ATOM 1834 SD MET A 112 5.621 1.415 -20.390 1.00 0.00 S ATOM 1835 CE MET A 112 4.821 2.842 -19.683 1.00 0.00 C ATOM 0 H MET A 112 10.214 2.404 -18.138 1.00 0.00 H new ATOM 0 HA MET A 112 8.113 1.175 -16.648 1.00 0.00 H new ATOM 0 HB2 MET A 112 7.610 2.665 -18.516 1.00 0.00 H new ATOM 0 HB3 MET A 112 8.482 1.635 -19.634 1.00 0.00 H new ATOM 0 HG2 MET A 112 6.858 -0.217 -19.162 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.970 0.854 -18.096 1.00 0.00 H new ATOM 0 HE1 MET A 112 3.741 2.697 -19.696 1.00 0.00 H new ATOM 0 HE2 MET A 112 5.157 2.975 -18.655 1.00 0.00 H new ATOM 0 HE3 MET A 112 5.075 3.727 -20.266 1.00 0.00 H new ATOM 1845 N THR A 113 8.442 -1.261 -16.943 1.00 0.00 N ATOM 1846 CA THR A 113 8.659 -2.707 -16.965 1.00 0.00 C ATOM 1847 C THR A 113 7.291 -3.356 -17.301 1.00 0.00 C ATOM 1848 O THR A 113 6.259 -2.665 -17.222 1.00 0.00 O ATOM 1849 CB THR A 113 9.192 -3.139 -15.559 1.00 0.00 C ATOM 1850 OG1 THR A 113 10.276 -2.275 -15.170 1.00 0.00 O ATOM 1851 CG2 THR A 113 9.676 -4.594 -15.511 1.00 0.00 C ATOM 0 H THR A 113 7.800 -0.954 -16.212 1.00 0.00 H new ATOM 0 HA THR A 113 9.393 -3.020 -17.707 1.00 0.00 H new ATOM 0 HB THR A 113 8.352 -3.056 -14.870 1.00 0.00 H new ATOM 0 HG1 THR A 113 10.609 -2.544 -14.289 1.00 0.00 H new ATOM 0 HG21 THR A 113 10.032 -4.826 -14.507 1.00 0.00 H new ATOM 0 HG22 THR A 113 8.852 -5.260 -15.767 1.00 0.00 H new ATOM 0 HG23 THR A 113 10.488 -4.731 -16.225 1.00 0.00 H new ATOM 1859 N GLY A 114 7.248 -4.652 -17.681 1.00 0.00 N ATOM 1860 CA GLY A 114 5.964 -5.316 -17.914 1.00 0.00 C ATOM 1861 C GLY A 114 6.030 -6.830 -17.802 1.00 0.00 C ATOM 1862 O GLY A 114 6.894 -7.463 -18.384 1.00 0.00 O ATOM 0 H GLY A 114 8.069 -5.239 -17.828 1.00 0.00 H new ATOM 0 HA2 GLY A 114 5.235 -4.939 -17.197 1.00 0.00 H new ATOM 0 HA3 GLY A 114 5.602 -5.049 -18.907 1.00 0.00 H new ATOM 1866 N PHE A 115 5.056 -7.414 -17.109 1.00 0.00 N ATOM 1867 CA PHE A 115 5.027 -8.844 -16.767 1.00 0.00 C ATOM 1868 C PHE A 115 3.745 -9.454 -17.338 1.00 0.00 C ATOM 1869 O PHE A 115 2.796 -8.706 -17.632 1.00 0.00 O ATOM 1870 CB PHE A 115 5.046 -9.022 -15.220 1.00 0.00 C ATOM 1871 CG PHE A 115 6.087 -8.184 -14.463 1.00 0.00 C ATOM 1872 CD1 PHE A 115 5.809 -6.859 -14.099 1.00 0.00 C ATOM 1873 CD2 PHE A 115 7.320 -8.719 -14.094 1.00 0.00 C ATOM 1874 CE1 PHE A 115 6.729 -6.106 -13.402 1.00 0.00 C ATOM 1875 CE2 PHE A 115 8.240 -7.960 -13.398 1.00 0.00 C ATOM 1876 CZ PHE A 115 7.944 -6.654 -13.050 1.00 0.00 C ATOM 0 H PHE A 115 4.246 -6.901 -16.760 1.00 0.00 H new ATOM 0 HA PHE A 115 5.901 -9.342 -17.187 1.00 0.00 H new ATOM 0 HB2 PHE A 115 4.057 -8.775 -14.833 1.00 0.00 H new ATOM 0 HB3 PHE A 115 5.222 -10.074 -14.996 1.00 0.00 H new ATOM 0 HD1 PHE A 115 4.859 -6.422 -14.369 1.00 0.00 H new ATOM 0 HD2 PHE A 115 7.559 -9.739 -14.356 1.00 0.00 H new ATOM 0 HE1 PHE A 115 6.498 -5.086 -13.131 1.00 0.00 H new ATOM 0 HE2 PHE A 115 9.193 -8.387 -13.124 1.00 0.00 H new ATOM 0 HZ PHE A 115 8.664 -6.064 -12.503 1.00 0.00 H new ATOM 1886 N SER A 116 3.694 -10.800 -17.478 1.00 0.00 N ATOM 1887 CA SER A 116 2.405 -11.470 -17.730 1.00 0.00 C ATOM 1888 C SER A 116 2.462 -12.990 -17.452 1.00 0.00 C ATOM 1889 O SER A 116 3.527 -13.588 -17.173 1.00 0.00 O ATOM 1890 CB SER A 116 1.981 -11.225 -19.218 1.00 0.00 C ATOM 1891 OG SER A 116 0.632 -11.608 -19.460 1.00 0.00 O ATOM 0 H SER A 116 4.501 -11.421 -17.423 1.00 0.00 H new ATOM 0 HA SER A 116 1.672 -11.044 -17.044 1.00 0.00 H new ATOM 0 HB2 SER A 116 2.107 -10.170 -19.461 1.00 0.00 H new ATOM 0 HB3 SER A 116 2.641 -11.786 -19.880 1.00 0.00 H new ATOM 0 HG SER A 116 0.543 -11.925 -20.383 1.00 0.00 H new ATOM 1897 N LYS A 117 1.272 -13.596 -17.587 1.00 0.00 N ATOM 1898 CA LYS A 117 1.055 -15.046 -17.582 1.00 0.00 C ATOM 1899 C LYS A 117 1.113 -15.588 -19.016 1.00 0.00 C ATOM 1900 O LYS A 117 1.229 -16.797 -19.225 1.00 0.00 O ATOM 1901 CB LYS A 117 -0.331 -15.364 -16.955 1.00 0.00 C ATOM 1902 CG LYS A 117 -0.484 -14.928 -15.478 1.00 0.00 C ATOM 1903 CD LYS A 117 0.431 -15.716 -14.505 1.00 0.00 C ATOM 1904 CE LYS A 117 0.253 -17.249 -14.592 1.00 0.00 C ATOM 1905 NZ LYS A 117 -1.151 -17.681 -14.368 1.00 0.00 N ATOM 0 H LYS A 117 0.407 -13.069 -17.707 1.00 0.00 H new ATOM 0 HA LYS A 117 1.836 -15.523 -16.990 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -1.104 -14.874 -17.547 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -0.509 -16.437 -17.024 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -0.259 -13.865 -15.396 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -1.523 -15.058 -15.174 1.00 0.00 H new ATOM 0 HD2 LYS A 117 1.471 -15.467 -14.716 1.00 0.00 H new ATOM 0 HD3 LYS A 117 0.226 -15.392 -13.485 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.582 -17.593 -15.573 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.897 -17.727 -13.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -1.205 -18.719 -14.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -1.472 -17.350 -13.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -1.761 -17.277 -15.107 1.00 0.00 H new ATOM 1919 N THR A 118 1.022 -14.668 -19.988 1.00 0.00 N ATOM 1920 CA THR A 118 0.971 -14.971 -21.419 1.00 0.00 C ATOM 1921 C THR A 118 2.230 -14.409 -22.097 1.00 0.00 C ATOM 1922 O THR A 118 2.762 -13.373 -21.673 1.00 0.00 O ATOM 1923 CB THR A 118 -0.321 -14.369 -22.064 1.00 0.00 C ATOM 1924 OG1 THR A 118 -0.418 -12.973 -21.762 1.00 0.00 O ATOM 1925 CG2 THR A 118 -1.592 -15.069 -21.558 1.00 0.00 C ATOM 0 H THR A 118 0.981 -13.668 -19.791 1.00 0.00 H new ATOM 0 HA THR A 118 0.939 -16.051 -21.559 1.00 0.00 H new ATOM 0 HB THR A 118 -0.243 -14.521 -23.140 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.047 -12.547 -22.381 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.466 -14.621 -22.030 1.00 0.00 H new ATOM 0 HG22 THR A 118 -1.548 -16.129 -21.808 1.00 0.00 H new ATOM 0 HG23 THR A 118 -1.665 -14.954 -20.477 1.00 0.00 H new ATOM 1933 N THR A 119 2.697 -15.110 -23.139 1.00 0.00 N ATOM 1934 CA THR A 119 3.977 -14.822 -23.807 1.00 0.00 C ATOM 1935 C THR A 119 3.914 -13.522 -24.643 1.00 0.00 C ATOM 1936 O THR A 119 2.861 -13.179 -25.194 1.00 0.00 O ATOM 1937 CB THR A 119 4.427 -16.044 -24.689 1.00 0.00 C ATOM 1938 OG1 THR A 119 5.770 -15.858 -25.160 1.00 0.00 O ATOM 1939 CG2 THR A 119 3.501 -16.297 -25.889 1.00 0.00 C ATOM 0 H THR A 119 2.195 -15.899 -23.546 1.00 0.00 H new ATOM 0 HA THR A 119 4.725 -14.663 -23.030 1.00 0.00 H new ATOM 0 HB THR A 119 4.372 -16.919 -24.042 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.035 -16.628 -25.706 1.00 0.00 H new ATOM 0 HG21 THR A 119 3.866 -17.153 -26.457 1.00 0.00 H new ATOM 0 HG22 THR A 119 2.492 -16.502 -25.533 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.487 -15.416 -26.530 1.00 0.00 H new ATOM 1947 N PHE A 120 5.050 -12.802 -24.690 1.00 0.00 N ATOM 1948 CA PHE A 120 5.216 -11.571 -25.484 1.00 0.00 C ATOM 1949 C PHE A 120 6.713 -11.256 -25.697 1.00 0.00 C ATOM 1950 O PHE A 120 7.530 -11.551 -24.793 1.00 0.00 O ATOM 1951 CB PHE A 120 4.490 -10.362 -24.838 1.00 0.00 C ATOM 1952 CG PHE A 120 4.975 -9.911 -23.459 1.00 0.00 C ATOM 1953 CD1 PHE A 120 4.825 -10.730 -22.339 1.00 0.00 C ATOM 1954 CD2 PHE A 120 5.563 -8.659 -23.283 1.00 0.00 C ATOM 1955 CE1 PHE A 120 5.249 -10.313 -21.097 1.00 0.00 C ATOM 1956 CE2 PHE A 120 5.980 -8.245 -22.036 1.00 0.00 C ATOM 1957 CZ PHE A 120 5.828 -9.074 -20.946 1.00 0.00 C ATOM 1958 OXT PHE A 120 7.063 -10.700 -26.761 1.00 0.00 O ATOM 0 H PHE A 120 5.889 -13.062 -24.171 1.00 0.00 H new ATOM 0 HA PHE A 120 4.754 -11.747 -26.455 1.00 0.00 H new ATOM 0 HB2 PHE A 120 4.573 -9.515 -25.519 1.00 0.00 H new ATOM 0 HB3 PHE A 120 3.431 -10.606 -24.760 1.00 0.00 H new ATOM 0 HD1 PHE A 120 4.370 -11.704 -22.448 1.00 0.00 H new ATOM 0 HD2 PHE A 120 5.693 -8.006 -24.133 1.00 0.00 H new ATOM 0 HE1 PHE A 120 5.127 -10.959 -20.240 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.427 -7.269 -21.913 1.00 0.00 H new ATOM 0 HZ PHE A 120 6.164 -8.751 -19.972 1.00 0.00 H new