USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 758 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 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 95 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 58 SER OG : rot -82:sc= 1.27 USER MOD Set 2.2: A 67 HIS : no HD1:sc= 1.05 K(o=2.3,f=-2.9) USER MOD Set 3.1: A 22 TYR OH : rot 180:sc= -0.213 USER MOD Set 3.2: A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -49:sc= 0.735 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -170:sc= -0.0108 (180deg=-0.127) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.013) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -1.25 K(o=-1.3,f=0) USER MOD Single : A 38 GLN : amide:sc= -1.11 K(o=-1.1,f=-5!) USER MOD Single : A 40 HIS : no HE2:sc= -1.34 K(o=-1.3,f=-0.68) USER MOD Single : A 42 MET CE :methyl 141:sc= -2.13 (180deg=-2.49) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 110:sc= 1.2 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 63 SER OG : rot -46:sc= 1.17 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 36:sc= 1.08 USER MOD Single : A 71 ASN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -10.7! C(o=-11!,f=-7.6!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -5.6! C(o=-5.6!,f=-7!) USER MOD Single : A 96 LYS NZ :NH3+ -141:sc= 0.0271 (180deg=0) USER MOD Single : A 98 HIS : no HE2:sc= -5.18! C(o=-5.2!,f=-4.1!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -37:sc= 0.29 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0.00093 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N ALA A 11 -4.746 12.174 -4.143 1.00 0.00 N ATOM 106 CA ALA A 11 -4.854 10.725 -4.022 1.00 0.00 C ATOM 107 C ALA A 11 -5.511 10.118 -5.257 1.00 0.00 C ATOM 108 O ALA A 11 -6.433 9.310 -5.148 1.00 0.00 O ATOM 109 CB ALA A 11 -5.638 10.357 -2.770 1.00 0.00 C ATOM 0 HA ALA A 11 -3.847 10.316 -3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.711 9.272 -2.692 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.126 10.750 -1.892 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.639 10.785 -2.829 1.00 0.00 H new ATOM 115 N ARG A 12 -5.031 10.514 -6.431 1.00 0.00 N ATOM 116 CA ARG A 12 -5.573 10.010 -7.687 1.00 0.00 C ATOM 117 C ARG A 12 -4.657 8.949 -8.288 1.00 0.00 C ATOM 118 O ARG A 12 -3.705 9.267 -9.002 1.00 0.00 O ATOM 119 CB ARG A 12 -5.764 11.157 -8.682 1.00 0.00 C ATOM 120 CG ARG A 12 -6.590 10.776 -9.900 1.00 0.00 C ATOM 121 CD ARG A 12 -8.080 10.889 -9.619 1.00 0.00 C ATOM 122 NE ARG A 12 -8.487 12.269 -9.369 1.00 0.00 N ATOM 123 CZ ARG A 12 -9.703 12.613 -8.960 1.00 0.00 C ATOM 124 NH1 ARG A 12 -10.626 11.684 -8.756 1.00 0.00 N ATOM 125 NH2 ARG A 12 -9.998 13.891 -8.754 1.00 0.00 N ATOM 0 H ARG A 12 -4.268 11.182 -6.539 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.541 9.554 -7.478 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.246 11.992 -8.173 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.786 11.507 -9.012 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.326 11.423 -10.737 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.351 9.755 -10.198 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.640 10.494 -10.467 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.334 10.274 -8.755 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.800 13.009 -9.516 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.404 10.701 -8.913 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.559 11.952 -8.442 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.291 14.609 -8.910 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.932 14.155 -8.440 1.00 0.00 H new ATOM 139 N PHE A 13 -4.950 7.686 -7.994 1.00 0.00 N ATOM 140 CA PHE A 13 -4.152 6.577 -8.504 1.00 0.00 C ATOM 141 C PHE A 13 -4.990 5.307 -8.608 1.00 0.00 C ATOM 142 O PHE A 13 -6.077 5.218 -8.036 1.00 0.00 O ATOM 143 CB PHE A 13 -2.943 6.332 -7.598 1.00 0.00 C ATOM 144 CG PHE A 13 -3.315 5.945 -6.195 1.00 0.00 C ATOM 145 CD1 PHE A 13 -3.765 6.898 -5.295 1.00 0.00 C ATOM 146 CD2 PHE A 13 -3.215 4.628 -5.776 1.00 0.00 C ATOM 147 CE1 PHE A 13 -4.106 6.544 -4.003 1.00 0.00 C ATOM 148 CE2 PHE A 13 -3.555 4.268 -4.486 1.00 0.00 C ATOM 149 CZ PHE A 13 -4.003 5.227 -3.599 1.00 0.00 C ATOM 0 H PHE A 13 -5.734 7.405 -7.405 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.802 6.842 -9.501 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.327 5.545 -8.032 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -2.333 7.235 -7.568 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.850 7.929 -5.607 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.867 3.874 -6.466 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.453 7.296 -3.310 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.471 3.238 -4.172 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.272 4.948 -2.591 1.00 0.00 H new ATOM 159 N ASP A 14 -4.477 4.325 -9.342 1.00 0.00 N ATOM 160 CA ASP A 14 -5.177 3.058 -9.521 1.00 0.00 C ATOM 161 C ASP A 14 -4.724 2.036 -8.484 1.00 0.00 C ATOM 162 O ASP A 14 -3.736 1.329 -8.684 1.00 0.00 O ATOM 163 CB ASP A 14 -4.937 2.514 -10.930 1.00 0.00 C ATOM 164 CG ASP A 14 -5.574 3.379 -12.001 1.00 0.00 C ATOM 165 OD1 ASP A 14 -5.778 4.585 -11.746 1.00 0.00 O ATOM 166 OD2 ASP A 14 -5.867 2.851 -13.093 1.00 0.00 O ATOM 0 H ASP A 14 -3.579 4.382 -9.822 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.244 3.238 -9.386 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.865 2.446 -11.112 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.337 1.502 -10.999 1.00 0.00 H new ATOM 171 N SER A 15 -5.452 1.963 -7.374 1.00 0.00 N ATOM 172 CA SER A 15 -5.122 1.031 -6.303 1.00 0.00 C ATOM 173 C SER A 15 -5.134 -0.408 -6.812 1.00 0.00 C ATOM 174 O SER A 15 -4.570 -1.304 -6.185 1.00 0.00 O ATOM 175 CB SER A 15 -6.110 1.182 -5.145 1.00 0.00 C ATOM 176 OG SER A 15 -6.332 2.547 -4.838 1.00 0.00 O ATOM 0 H SER A 15 -6.274 2.539 -7.193 1.00 0.00 H new ATOM 0 HA SER A 15 -4.118 1.264 -5.948 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.056 0.706 -5.405 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.725 0.666 -4.265 1.00 0.00 H new ATOM 0 HG SER A 15 -5.471 3.009 -4.760 1.00 0.00 H new ATOM 182 N SER A 16 -5.781 -0.619 -7.954 1.00 0.00 N ATOM 183 CA SER A 16 -5.871 -1.949 -8.546 1.00 0.00 C ATOM 184 C SER A 16 -4.631 -2.256 -9.382 1.00 0.00 C ATOM 185 O SER A 16 -4.130 -3.380 -9.378 1.00 0.00 O ATOM 186 CB SER A 16 -7.125 -2.059 -9.415 1.00 0.00 C ATOM 187 OG SER A 16 -8.290 -1.751 -8.670 1.00 0.00 O ATOM 0 H SER A 16 -6.250 0.113 -8.487 1.00 0.00 H new ATOM 0 HA SER A 16 -5.933 -2.677 -7.737 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.043 -1.381 -10.265 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.204 -3.068 -9.819 1.00 0.00 H new ATOM 0 HG SER A 16 -9.078 -1.827 -9.248 1.00 0.00 H new ATOM 193 N ASP A 17 -4.143 -1.248 -10.096 1.00 0.00 N ATOM 194 CA ASP A 17 -2.962 -1.408 -10.936 1.00 0.00 C ATOM 195 C ASP A 17 -1.741 -1.764 -10.094 1.00 0.00 C ATOM 196 O ASP A 17 -1.035 -0.883 -9.604 1.00 0.00 O ATOM 197 CB ASP A 17 -2.695 -0.127 -11.728 1.00 0.00 C ATOM 198 CG ASP A 17 -1.638 -0.317 -12.798 1.00 0.00 C ATOM 199 OD1 ASP A 17 -1.413 -1.474 -13.211 1.00 0.00 O ATOM 200 OD2 ASP A 17 -1.034 0.691 -13.222 1.00 0.00 O ATOM 0 H ASP A 17 -4.547 -0.311 -10.110 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.151 -2.224 -11.634 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.622 0.209 -12.193 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.378 0.660 -11.044 1.00 0.00 H new ATOM 205 N ARG A 18 -1.499 -3.061 -9.931 1.00 0.00 N ATOM 206 CA ARG A 18 -0.364 -3.533 -9.146 1.00 0.00 C ATOM 207 C ARG A 18 0.952 -3.060 -9.755 1.00 0.00 C ATOM 208 O ARG A 18 1.905 -2.754 -9.038 1.00 0.00 O ATOM 209 CB ARG A 18 -0.379 -5.060 -9.057 1.00 0.00 C ATOM 210 CG ARG A 18 -1.132 -5.593 -7.849 1.00 0.00 C ATOM 211 CD ARG A 18 -1.724 -6.966 -8.123 1.00 0.00 C ATOM 212 NE ARG A 18 -0.723 -8.025 -8.014 1.00 0.00 N ATOM 213 CZ ARG A 18 -1.020 -9.291 -7.742 1.00 0.00 C ATOM 214 NH1 ARG A 18 -2.281 -9.654 -7.554 1.00 0.00 N ATOM 215 NH2 ARG A 18 -0.053 -10.197 -7.659 1.00 0.00 N ATOM 0 H ARG A 18 -2.073 -3.803 -10.332 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.449 -3.117 -8.142 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.831 -5.464 -9.963 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.648 -5.424 -9.024 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.457 -5.650 -6.995 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.929 -4.899 -7.580 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.534 -7.159 -7.419 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.160 -6.980 -9.122 1.00 0.00 H new ATOM 0 HE ARG A 18 0.257 -7.779 -8.154 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.026 -8.961 -7.618 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.506 -10.627 -7.345 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.918 -9.921 -7.804 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.281 -11.169 -7.450 1.00 0.00 H new ATOM 229 N SER A 19 0.998 -3.004 -11.082 1.00 0.00 N ATOM 230 CA SER A 19 2.199 -2.574 -11.788 1.00 0.00 C ATOM 231 C SER A 19 2.420 -1.074 -11.620 1.00 0.00 C ATOM 232 O SER A 19 3.329 -0.498 -12.216 1.00 0.00 O ATOM 233 CB SER A 19 2.095 -2.922 -13.275 1.00 0.00 C ATOM 234 OG SER A 19 3.375 -3.158 -13.834 1.00 0.00 O ATOM 0 H SER A 19 0.217 -3.251 -11.690 1.00 0.00 H new ATOM 0 HA SER A 19 3.051 -3.100 -11.358 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.471 -3.806 -13.402 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.606 -2.107 -13.809 1.00 0.00 H new ATOM 0 HG SER A 19 3.281 -3.380 -14.784 1.00 0.00 H new ATOM 240 N ALA A 20 1.580 -0.447 -10.803 1.00 0.00 N ATOM 241 CA ALA A 20 1.684 0.986 -10.553 1.00 0.00 C ATOM 242 C ALA A 20 2.031 1.265 -9.095 1.00 0.00 C ATOM 243 O ALA A 20 2.607 2.304 -8.773 1.00 0.00 O ATOM 244 CB ALA A 20 0.385 1.683 -10.931 1.00 0.00 C ATOM 0 H ALA A 20 0.820 -0.908 -10.303 1.00 0.00 H new ATOM 0 HA ALA A 20 2.489 1.381 -11.173 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.477 2.752 -10.739 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.179 1.520 -11.989 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.433 1.276 -10.336 1.00 0.00 H new ATOM 250 N TRP A 21 1.676 0.333 -8.218 1.00 0.00 N ATOM 251 CA TRP A 21 1.950 0.480 -6.793 1.00 0.00 C ATOM 252 C TRP A 21 2.619 -0.771 -6.235 1.00 0.00 C ATOM 253 O TRP A 21 3.558 -0.684 -5.445 1.00 0.00 O ATOM 254 CB TRP A 21 0.655 0.765 -6.031 1.00 0.00 C ATOM 255 CG TRP A 21 -0.431 -0.230 -6.312 1.00 0.00 C ATOM 256 CD1 TRP A 21 -1.446 -0.101 -7.216 1.00 0.00 C ATOM 257 CD2 TRP A 21 -0.610 -1.504 -5.684 1.00 0.00 C ATOM 258 NE1 TRP A 21 -2.246 -1.218 -7.188 1.00 0.00 N ATOM 259 CE2 TRP A 21 -1.753 -2.094 -6.257 1.00 0.00 C ATOM 260 CE3 TRP A 21 0.085 -2.204 -4.695 1.00 0.00 C ATOM 261 CZ2 TRP A 21 -2.215 -3.349 -5.872 1.00 0.00 C ATOM 262 CZ3 TRP A 21 -0.374 -3.450 -4.313 1.00 0.00 C ATOM 263 CH2 TRP A 21 -1.515 -4.013 -4.901 1.00 0.00 C ATOM 0 H TRP A 21 1.198 -0.532 -8.468 1.00 0.00 H new ATOM 0 HA TRP A 21 2.632 1.321 -6.664 1.00 0.00 H new ATOM 0 HB2 TRP A 21 0.865 0.771 -4.961 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.301 1.762 -6.291 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -1.598 0.754 -7.859 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.072 -1.370 -7.766 1.00 0.00 H new ATOM 0 HE3 TRP A 21 0.966 -1.779 -4.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -3.095 -3.784 -6.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 0.155 -3.999 -3.548 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -1.848 -4.989 -4.582 1.00 0.00 H new ATOM 274 N TYR A 22 2.129 -1.934 -6.651 1.00 0.00 N ATOM 275 CA TYR A 22 2.678 -3.203 -6.191 1.00 0.00 C ATOM 276 C TYR A 22 4.081 -3.424 -6.749 1.00 0.00 C ATOM 277 O TYR A 22 4.248 -3.755 -7.923 1.00 0.00 O ATOM 278 CB TYR A 22 1.765 -4.358 -6.604 1.00 0.00 C ATOM 279 CG TYR A 22 2.213 -5.703 -6.077 1.00 0.00 C ATOM 280 CD1 TYR A 22 2.538 -5.874 -4.737 1.00 0.00 C ATOM 281 CD2 TYR A 22 2.310 -6.803 -6.920 1.00 0.00 C ATOM 282 CE1 TYR A 22 2.949 -7.100 -4.252 1.00 0.00 C ATOM 283 CE2 TYR A 22 2.719 -8.034 -6.444 1.00 0.00 C ATOM 284 CZ TYR A 22 3.037 -8.177 -5.109 1.00 0.00 C ATOM 285 OH TYR A 22 3.444 -9.401 -4.630 1.00 0.00 O ATOM 0 H TYR A 22 1.352 -2.023 -7.306 1.00 0.00 H new ATOM 0 HA TYR A 22 2.740 -3.169 -5.103 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.755 -4.156 -6.248 1.00 0.00 H new ATOM 0 HB3 TYR A 22 1.717 -4.401 -7.692 1.00 0.00 H new ATOM 0 HD1 TYR A 22 2.468 -5.033 -4.063 1.00 0.00 H new ATOM 0 HD2 TYR A 22 2.061 -6.694 -7.965 1.00 0.00 H new ATOM 0 HE1 TYR A 22 3.200 -7.215 -3.208 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.789 -8.879 -7.113 1.00 0.00 H new ATOM 0 HH TYR A 22 3.451 -10.053 -5.362 1.00 0.00 H new ATOM 295 N MET A 23 5.085 -3.240 -5.899 1.00 0.00 N ATOM 296 CA MET A 23 6.474 -3.421 -6.306 1.00 0.00 C ATOM 297 C MET A 23 6.896 -4.880 -6.164 1.00 0.00 C ATOM 298 O MET A 23 7.995 -5.260 -6.567 1.00 0.00 O ATOM 299 CB MET A 23 7.393 -2.528 -5.470 1.00 0.00 C ATOM 300 CG MET A 23 6.903 -1.094 -5.350 1.00 0.00 C ATOM 301 SD MET A 23 7.506 -0.039 -6.682 1.00 0.00 S ATOM 302 CE MET A 23 6.115 1.069 -6.893 1.00 0.00 C ATOM 0 H MET A 23 4.963 -2.966 -4.924 1.00 0.00 H new ATOM 0 HA MET A 23 6.560 -3.137 -7.355 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.491 -2.955 -4.472 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.388 -2.527 -5.915 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.813 -1.086 -5.350 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.225 -0.683 -4.393 1.00 0.00 H new ATOM 0 HE1 MET A 23 6.258 1.665 -7.794 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.197 0.488 -6.984 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.042 1.730 -6.029 1.00 0.00 H new ATOM 312 N GLY A 24 6.016 -5.693 -5.589 1.00 0.00 N ATOM 313 CA GLY A 24 6.316 -7.101 -5.404 1.00 0.00 C ATOM 314 C GLY A 24 7.804 -7.364 -5.282 1.00 0.00 C ATOM 315 O GLY A 24 8.372 -7.344 -4.190 1.00 0.00 O ATOM 0 H GLY A 24 5.100 -5.402 -5.248 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.811 -7.462 -4.508 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.917 -7.668 -6.245 1.00 0.00 H new ATOM 319 N PRO A 25 8.460 -7.620 -6.424 1.00 0.00 N ATOM 320 CA PRO A 25 9.899 -7.896 -6.465 1.00 0.00 C ATOM 321 C PRO A 25 10.735 -6.660 -6.148 1.00 0.00 C ATOM 322 O PRO A 25 11.265 -6.009 -7.048 1.00 0.00 O ATOM 323 CB PRO A 25 10.132 -8.343 -7.911 1.00 0.00 C ATOM 324 CG PRO A 25 9.031 -7.707 -8.687 1.00 0.00 C ATOM 325 CD PRO A 25 7.846 -7.661 -7.762 1.00 0.00 C ATOM 0 HA PRO A 25 10.194 -8.637 -5.722 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.108 -8.020 -8.272 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.102 -9.429 -7.999 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.311 -6.705 -9.013 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.803 -8.282 -9.585 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.226 -6.784 -7.947 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.206 -8.535 -7.884 1.00 0.00 H new ATOM 333 N VAL A 26 10.849 -6.343 -4.862 1.00 0.00 N ATOM 334 CA VAL A 26 11.622 -5.186 -4.426 1.00 0.00 C ATOM 335 C VAL A 26 12.201 -5.406 -3.033 1.00 0.00 C ATOM 336 O VAL A 26 11.473 -5.711 -2.088 1.00 0.00 O ATOM 337 CB VAL A 26 10.763 -3.908 -4.417 1.00 0.00 C ATOM 338 CG1 VAL A 26 11.394 -2.846 -3.529 1.00 0.00 C ATOM 339 CG2 VAL A 26 10.571 -3.386 -5.833 1.00 0.00 C ATOM 0 H VAL A 26 10.416 -6.871 -4.104 1.00 0.00 H new ATOM 0 HA VAL A 26 12.436 -5.062 -5.140 1.00 0.00 H new ATOM 0 HB VAL A 26 9.783 -4.153 -4.008 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.773 -1.950 -3.535 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.474 -3.225 -2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.388 -2.601 -3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.962 -2.483 -5.808 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.542 -3.157 -6.271 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.071 -4.144 -6.436 1.00 0.00 H new ATOM 349 N SER A 27 13.515 -5.248 -2.913 1.00 0.00 N ATOM 350 CA SER A 27 14.193 -5.432 -1.635 1.00 0.00 C ATOM 351 C SER A 27 13.956 -4.237 -0.717 1.00 0.00 C ATOM 352 O SER A 27 13.746 -3.116 -1.181 1.00 0.00 O ATOM 353 CB SER A 27 15.694 -5.632 -1.854 1.00 0.00 C ATOM 354 OG SER A 27 16.336 -6.031 -0.656 1.00 0.00 O ATOM 0 H SER A 27 14.131 -4.993 -3.685 1.00 0.00 H new ATOM 0 HA SER A 27 13.781 -6.321 -1.158 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.855 -6.386 -2.625 1.00 0.00 H new ATOM 0 HB3 SER A 27 16.138 -4.705 -2.217 1.00 0.00 H new ATOM 0 HG SER A 27 17.294 -6.154 -0.823 1.00 0.00 H new ATOM 360 N ARG A 28 13.992 -4.485 0.588 1.00 0.00 N ATOM 361 CA ARG A 28 13.780 -3.431 1.573 1.00 0.00 C ATOM 362 C ARG A 28 14.704 -2.246 1.308 1.00 0.00 C ATOM 363 O ARG A 28 14.262 -1.098 1.271 1.00 0.00 O ATOM 364 CB ARG A 28 14.015 -3.968 2.986 1.00 0.00 C ATOM 365 CG ARG A 28 13.746 -2.946 4.078 1.00 0.00 C ATOM 366 CD ARG A 28 14.271 -3.419 5.425 1.00 0.00 C ATOM 367 NE ARG A 28 13.542 -2.819 6.538 1.00 0.00 N ATOM 368 CZ ARG A 28 12.331 -3.212 6.920 1.00 0.00 C ATOM 369 NH1 ARG A 28 11.719 -4.199 6.282 1.00 0.00 N ATOM 370 NH2 ARG A 28 11.732 -2.617 7.944 1.00 0.00 N ATOM 0 H ARG A 28 14.166 -5.407 0.988 1.00 0.00 H new ATOM 0 HA ARG A 28 12.748 -3.092 1.488 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.375 -4.836 3.147 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.046 -4.312 3.068 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.217 -1.999 3.815 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.674 -2.761 4.149 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.193 -4.505 5.484 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.329 -3.171 5.509 1.00 0.00 H new ATOM 0 HE ARG A 28 13.986 -2.057 7.050 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.177 -4.659 5.496 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.790 -4.498 6.577 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.201 -1.858 8.438 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.803 -2.919 8.237 1.00 0.00 H new ATOM 384 N GLN A 29 15.989 -2.534 1.125 1.00 0.00 N ATOM 385 CA GLN A 29 16.975 -1.491 0.865 1.00 0.00 C ATOM 386 C GLN A 29 16.568 -0.645 -0.337 1.00 0.00 C ATOM 387 O GLN A 29 16.852 0.551 -0.389 1.00 0.00 O ATOM 388 CB GLN A 29 18.352 -2.112 0.624 1.00 0.00 C ATOM 389 CG GLN A 29 18.422 -2.972 -0.628 1.00 0.00 C ATOM 390 CD GLN A 29 19.846 -3.242 -1.072 1.00 0.00 C ATOM 391 OE1 GLN A 29 20.577 -3.995 -0.428 1.00 0.00 O ATOM 392 NE2 GLN A 29 20.248 -2.628 -2.179 1.00 0.00 N ATOM 0 H GLN A 29 16.371 -3.479 1.152 1.00 0.00 H new ATOM 0 HA GLN A 29 17.024 -0.844 1.741 1.00 0.00 H new ATOM 0 HB2 GLN A 29 19.092 -1.315 0.549 1.00 0.00 H new ATOM 0 HB3 GLN A 29 18.623 -2.719 1.487 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.918 -3.920 -0.441 1.00 0.00 H new ATOM 0 HG3 GLN A 29 17.882 -2.477 -1.435 1.00 0.00 H new ATOM 0 HE21 GLN A 29 19.609 -2.012 -2.681 1.00 0.00 H new ATOM 0 HE22 GLN A 29 21.196 -2.772 -2.527 1.00 0.00 H new ATOM 401 N GLU A 30 15.903 -1.274 -1.300 1.00 0.00 N ATOM 402 CA GLU A 30 15.458 -0.578 -2.502 1.00 0.00 C ATOM 403 C GLU A 30 14.242 0.295 -2.206 1.00 0.00 C ATOM 404 O GLU A 30 14.327 1.523 -2.227 1.00 0.00 O ATOM 405 CB GLU A 30 15.122 -1.583 -3.606 1.00 0.00 C ATOM 406 CG GLU A 30 14.945 -0.946 -4.974 1.00 0.00 C ATOM 407 CD GLU A 30 15.280 -1.897 -6.107 1.00 0.00 C ATOM 408 OE1 GLU A 30 14.899 -3.083 -6.020 1.00 0.00 O ATOM 409 OE2 GLU A 30 15.924 -1.453 -7.082 1.00 0.00 O ATOM 0 H GLU A 30 15.660 -2.264 -1.272 1.00 0.00 H new ATOM 0 HA GLU A 30 16.271 0.064 -2.841 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.915 -2.328 -3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 30 14.207 -2.111 -3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.915 -0.606 -5.082 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.581 -0.064 -5.045 1.00 0.00 H new ATOM 416 N ALA A 31 13.112 -0.348 -1.932 1.00 0.00 N ATOM 417 CA ALA A 31 11.879 0.369 -1.631 1.00 0.00 C ATOM 418 C ALA A 31 12.160 1.626 -0.815 1.00 0.00 C ATOM 419 O ALA A 31 11.442 2.620 -0.923 1.00 0.00 O ATOM 420 CB ALA A 31 10.909 -0.539 -0.889 1.00 0.00 C ATOM 0 H ALA A 31 13.025 -1.364 -1.912 1.00 0.00 H new ATOM 0 HA ALA A 31 11.425 0.674 -2.574 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.992 0.009 -0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.675 -1.405 -1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 31 11.364 -0.872 0.044 1.00 0.00 H new ATOM 426 N GLN A 32 13.208 1.574 0.001 1.00 0.00 N ATOM 427 CA GLN A 32 13.581 2.709 0.837 1.00 0.00 C ATOM 428 C GLN A 32 14.122 3.855 -0.012 1.00 0.00 C ATOM 429 O GLN A 32 13.688 4.999 0.121 1.00 0.00 O ATOM 430 CB GLN A 32 14.627 2.286 1.870 1.00 0.00 C ATOM 431 CG GLN A 32 14.028 1.670 3.125 1.00 0.00 C ATOM 432 CD GLN A 32 14.902 1.871 4.347 1.00 0.00 C ATOM 433 OE1 GLN A 32 15.322 0.908 4.989 1.00 0.00 O ATOM 434 NE2 GLN A 32 15.181 3.127 4.676 1.00 0.00 N ATOM 0 H GLN A 32 13.813 0.759 0.101 1.00 0.00 H new ATOM 0 HA GLN A 32 12.687 3.056 1.356 1.00 0.00 H new ATOM 0 HB2 GLN A 32 15.308 1.568 1.412 1.00 0.00 H new ATOM 0 HB3 GLN A 32 15.221 3.156 2.150 1.00 0.00 H new ATOM 0 HG2 GLN A 32 13.047 2.109 3.308 1.00 0.00 H new ATOM 0 HG3 GLN A 32 13.875 0.603 2.964 1.00 0.00 H new ATOM 0 HE21 GLN A 32 14.812 3.895 4.116 1.00 0.00 H new ATOM 0 HE22 GLN A 32 15.765 3.324 5.489 1.00 0.00 H new ATOM 443 N THR A 33 15.075 3.540 -0.885 1.00 0.00 N ATOM 444 CA THR A 33 15.676 4.543 -1.754 1.00 0.00 C ATOM 445 C THR A 33 14.652 5.110 -2.730 1.00 0.00 C ATOM 446 O THR A 33 14.833 6.203 -3.268 1.00 0.00 O ATOM 447 CB THR A 33 16.859 3.960 -2.550 1.00 0.00 C ATOM 448 OG1 THR A 33 17.812 4.990 -2.836 1.00 0.00 O ATOM 449 CG2 THR A 33 16.380 3.330 -3.849 1.00 0.00 C ATOM 0 H THR A 33 15.446 2.598 -1.008 1.00 0.00 H new ATOM 0 HA THR A 33 16.040 5.343 -1.109 1.00 0.00 H new ATOM 0 HB THR A 33 17.331 3.187 -1.943 1.00 0.00 H new ATOM 0 HG1 THR A 33 18.562 4.611 -3.341 1.00 0.00 H new ATOM 0 HG21 THR A 33 17.233 2.925 -4.393 1.00 0.00 H new ATOM 0 HG22 THR A 33 15.678 2.527 -3.626 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.886 4.086 -4.459 1.00 0.00 H new ATOM 457 N ARG A 34 13.577 4.362 -2.954 1.00 0.00 N ATOM 458 CA ARG A 34 12.524 4.790 -3.867 1.00 0.00 C ATOM 459 C ARG A 34 11.632 5.841 -3.212 1.00 0.00 C ATOM 460 O ARG A 34 11.061 6.696 -3.890 1.00 0.00 O ATOM 461 CB ARG A 34 11.682 3.592 -4.306 1.00 0.00 C ATOM 462 CG ARG A 34 12.506 2.365 -4.661 1.00 0.00 C ATOM 463 CD ARG A 34 11.803 1.502 -5.696 1.00 0.00 C ATOM 464 NE ARG A 34 12.174 1.871 -7.060 1.00 0.00 N ATOM 465 CZ ARG A 34 12.004 1.074 -8.109 1.00 0.00 C ATOM 466 NH1 ARG A 34 11.472 -0.130 -7.952 1.00 0.00 N ATOM 467 NH2 ARG A 34 12.367 1.481 -9.319 1.00 0.00 N ATOM 0 H ARG A 34 13.412 3.456 -2.516 1.00 0.00 H new ATOM 0 HA ARG A 34 12.995 5.234 -4.744 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.988 3.334 -3.506 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.081 3.878 -5.169 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.477 2.676 -5.045 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.692 1.778 -3.762 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.051 0.455 -5.524 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.724 1.598 -5.575 1.00 0.00 H new ATOM 0 HE ARG A 34 12.586 2.791 -7.215 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.192 -0.447 -7.024 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.343 -0.740 -8.759 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.777 2.407 -9.444 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.236 0.868 -10.124 1.00 0.00 H new ATOM 481 N LEU A 35 11.515 5.769 -1.890 1.00 0.00 N ATOM 482 CA LEU A 35 10.691 6.713 -1.143 1.00 0.00 C ATOM 483 C LEU A 35 11.546 7.552 -0.198 1.00 0.00 C ATOM 484 O LEU A 35 11.025 8.344 0.587 1.00 0.00 O ATOM 485 CB LEU A 35 9.617 5.967 -0.350 1.00 0.00 C ATOM 486 CG LEU A 35 8.795 4.943 -1.133 1.00 0.00 C ATOM 487 CD1 LEU A 35 8.130 3.956 -0.186 1.00 0.00 C ATOM 488 CD2 LEU A 35 7.754 5.642 -1.995 1.00 0.00 C ATOM 0 H LEU A 35 11.980 5.067 -1.314 1.00 0.00 H new ATOM 0 HA LEU A 35 10.208 7.380 -1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.099 5.456 0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.934 6.701 0.078 1.00 0.00 H new ATOM 0 HG LEU A 35 9.468 4.389 -1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.549 3.235 -0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.894 3.432 0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.470 4.493 0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.178 4.898 -2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.085 6.221 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.253 6.308 -2.699 1.00 0.00 H new ATOM 500 N GLN A 36 12.860 7.375 -0.282 1.00 0.00 N ATOM 501 CA GLN A 36 13.787 8.117 0.564 1.00 0.00 C ATOM 502 C GLN A 36 14.032 9.515 0.007 1.00 0.00 C ATOM 503 O GLN A 36 14.613 9.674 -1.066 1.00 0.00 O ATOM 504 CB GLN A 36 15.113 7.364 0.688 1.00 0.00 C ATOM 505 CG GLN A 36 16.230 8.197 1.295 1.00 0.00 C ATOM 506 CD GLN A 36 16.125 8.305 2.804 1.00 0.00 C ATOM 507 OE1 GLN A 36 16.981 7.807 3.535 1.00 0.00 O ATOM 508 NE2 GLN A 36 15.070 8.957 3.278 1.00 0.00 N ATOM 0 H GLN A 36 13.307 6.724 -0.928 1.00 0.00 H new ATOM 0 HA GLN A 36 13.339 8.213 1.553 1.00 0.00 H new ATOM 0 HB2 GLN A 36 14.961 6.475 1.299 1.00 0.00 H new ATOM 0 HB3 GLN A 36 15.421 7.022 -0.300 1.00 0.00 H new ATOM 0 HG2 GLN A 36 17.191 7.755 1.032 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.209 9.197 0.861 1.00 0.00 H new ATOM 0 HE21 GLN A 36 14.385 9.354 2.635 1.00 0.00 H new ATOM 0 HE22 GLN A 36 14.945 9.061 4.285 1.00 0.00 H new ATOM 517 N GLY A 37 13.586 10.528 0.744 1.00 0.00 N ATOM 518 CA GLY A 37 13.766 11.900 0.307 1.00 0.00 C ATOM 519 C GLY A 37 12.612 12.394 -0.542 1.00 0.00 C ATOM 520 O GLY A 37 12.327 13.591 -0.576 1.00 0.00 O ATOM 0 H GLY A 37 13.103 10.423 1.636 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.873 12.545 1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.692 11.978 -0.263 1.00 0.00 H new ATOM 524 N GLN A 38 11.947 11.471 -1.230 1.00 0.00 N ATOM 525 CA GLN A 38 10.819 11.821 -2.085 1.00 0.00 C ATOM 526 C GLN A 38 9.786 12.638 -1.315 1.00 0.00 C ATOM 527 O GLN A 38 9.809 12.687 -0.085 1.00 0.00 O ATOM 528 CB GLN A 38 10.169 10.557 -2.650 1.00 0.00 C ATOM 529 CG GLN A 38 11.057 9.800 -3.624 1.00 0.00 C ATOM 530 CD GLN A 38 11.257 10.544 -4.930 1.00 0.00 C ATOM 531 OE1 GLN A 38 11.030 11.752 -5.011 1.00 0.00 O ATOM 532 NE2 GLN A 38 11.685 9.826 -5.961 1.00 0.00 N ATOM 0 H GLN A 38 12.170 10.476 -1.212 1.00 0.00 H new ATOM 0 HA GLN A 38 11.194 12.427 -2.909 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.902 9.896 -1.825 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.241 10.829 -3.153 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.027 9.620 -3.161 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.616 8.825 -3.830 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.861 8.827 -5.849 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.838 10.273 -6.865 1.00 0.00 H new ATOM 541 N ARG A 39 8.881 13.279 -2.048 1.00 0.00 N ATOM 542 CA ARG A 39 7.841 14.096 -1.434 1.00 0.00 C ATOM 543 C ARG A 39 6.978 13.260 -0.494 1.00 0.00 C ATOM 544 O ARG A 39 6.819 12.054 -0.687 1.00 0.00 O ATOM 545 CB ARG A 39 6.965 14.738 -2.512 1.00 0.00 C ATOM 546 CG ARG A 39 5.981 13.773 -3.152 1.00 0.00 C ATOM 547 CD ARG A 39 6.569 13.120 -4.394 1.00 0.00 C ATOM 548 NE ARG A 39 6.831 14.093 -5.451 1.00 0.00 N ATOM 549 CZ ARG A 39 6.990 13.764 -6.729 1.00 0.00 C ATOM 550 NH1 ARG A 39 6.913 12.495 -7.105 1.00 0.00 N ATOM 551 NH2 ARG A 39 7.225 14.706 -7.633 1.00 0.00 N ATOM 0 H ARG A 39 8.847 13.248 -3.067 1.00 0.00 H new ATOM 0 HA ARG A 39 8.325 14.881 -0.853 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.413 15.568 -2.072 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.606 15.157 -3.287 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.704 13.003 -2.432 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.068 14.305 -3.417 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.496 12.611 -4.132 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.882 12.359 -4.764 1.00 0.00 H new ATOM 0 HE ARG A 39 6.895 15.078 -5.195 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.731 11.768 -6.413 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.035 12.246 -8.086 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.284 15.683 -7.348 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.347 14.453 -8.614 1.00 0.00 H new ATOM 565 N HIS A 40 6.422 13.909 0.525 1.00 0.00 N ATOM 566 CA HIS A 40 5.575 13.225 1.496 1.00 0.00 C ATOM 567 C HIS A 40 4.279 12.749 0.847 1.00 0.00 C ATOM 568 O HIS A 40 3.552 13.535 0.241 1.00 0.00 O ATOM 569 CB HIS A 40 5.260 14.152 2.671 1.00 0.00 C ATOM 570 CG HIS A 40 6.429 14.388 3.577 1.00 0.00 C ATOM 571 ND1 HIS A 40 6.608 15.558 4.285 1.00 0.00 N ATOM 572 CD2 HIS A 40 7.481 13.596 3.891 1.00 0.00 C ATOM 573 CE1 HIS A 40 7.720 15.476 4.993 1.00 0.00 C ATOM 574 NE2 HIS A 40 8.269 14.295 4.772 1.00 0.00 N ATOM 0 H HIS A 40 6.543 14.907 0.699 1.00 0.00 H new ATOM 0 HA HIS A 40 6.117 12.354 1.864 1.00 0.00 H new ATOM 0 HB2 HIS A 40 4.911 15.110 2.284 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.442 13.725 3.251 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.980 16.361 4.265 1.00 0.00 H new ATOM 0 HD2 HIS A 40 7.666 12.600 3.518 1.00 0.00 H new ATOM 0 HE1 HIS A 40 8.114 16.244 5.642 1.00 0.00 H new ATOM 583 N GLY A 41 3.998 11.456 0.977 1.00 0.00 N ATOM 584 CA GLY A 41 2.790 10.898 0.397 1.00 0.00 C ATOM 585 C GLY A 41 3.059 9.637 -0.400 1.00 0.00 C ATOM 586 O GLY A 41 2.289 8.679 -0.337 1.00 0.00 O ATOM 0 H GLY A 41 4.585 10.785 1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.078 10.677 1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.325 11.641 -0.251 1.00 0.00 H new ATOM 590 N MET A 42 4.154 9.637 -1.153 1.00 0.00 N ATOM 591 CA MET A 42 4.522 8.484 -1.966 1.00 0.00 C ATOM 592 C MET A 42 4.381 7.190 -1.170 1.00 0.00 C ATOM 593 O MET A 42 4.598 7.168 0.041 1.00 0.00 O ATOM 594 CB MET A 42 5.957 8.629 -2.476 1.00 0.00 C ATOM 595 CG MET A 42 6.229 7.856 -3.756 1.00 0.00 C ATOM 596 SD MET A 42 7.806 8.295 -4.511 1.00 0.00 S ATOM 597 CE MET A 42 7.423 9.912 -5.181 1.00 0.00 C ATOM 0 H MET A 42 4.802 10.422 -1.217 1.00 0.00 H new ATOM 0 HA MET A 42 3.844 8.441 -2.818 1.00 0.00 H new ATOM 0 HB2 MET A 42 6.168 9.685 -2.647 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.645 8.288 -1.702 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.219 6.788 -3.540 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.425 8.045 -4.467 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.279 10.574 -5.046 1.00 0.00 H new ATOM 0 HE2 MET A 42 7.198 9.822 -6.244 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.559 10.326 -4.661 1.00 0.00 H new ATOM 607 N PHE A 43 4.015 6.114 -1.859 1.00 0.00 N ATOM 608 CA PHE A 43 3.843 4.817 -1.216 1.00 0.00 C ATOM 609 C PHE A 43 4.149 3.682 -2.189 1.00 0.00 C ATOM 610 O PHE A 43 4.381 3.913 -3.377 1.00 0.00 O ATOM 611 CB PHE A 43 2.417 4.674 -0.680 1.00 0.00 C ATOM 612 CG PHE A 43 1.420 4.275 -1.730 1.00 0.00 C ATOM 613 CD1 PHE A 43 1.198 2.939 -2.021 1.00 0.00 C ATOM 614 CD2 PHE A 43 0.703 5.236 -2.425 1.00 0.00 C ATOM 615 CE1 PHE A 43 0.281 2.569 -2.987 1.00 0.00 C ATOM 616 CE2 PHE A 43 -0.215 4.872 -3.392 1.00 0.00 C ATOM 617 CZ PHE A 43 -0.427 3.537 -3.672 1.00 0.00 C ATOM 0 H PHE A 43 3.832 6.115 -2.862 1.00 0.00 H new ATOM 0 HA PHE A 43 4.544 4.757 -0.384 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.410 3.931 0.118 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.107 5.620 -0.237 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.748 2.178 -1.487 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.863 6.282 -2.208 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.118 1.524 -3.206 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.766 5.631 -3.928 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.145 3.250 -4.426 1.00 0.00 H new ATOM 627 N LEU A 44 4.147 2.456 -1.678 1.00 0.00 N ATOM 628 CA LEU A 44 4.425 1.284 -2.501 1.00 0.00 C ATOM 629 C LEU A 44 4.212 -0.001 -1.708 1.00 0.00 C ATOM 630 O LEU A 44 4.465 -0.049 -0.504 1.00 0.00 O ATOM 631 CB LEU A 44 5.858 1.337 -3.033 1.00 0.00 C ATOM 632 CG LEU A 44 6.951 0.881 -2.065 1.00 0.00 C ATOM 633 CD1 LEU A 44 6.949 -0.634 -1.935 1.00 0.00 C ATOM 634 CD2 LEU A 44 8.313 1.377 -2.526 1.00 0.00 C ATOM 0 H LEU A 44 3.956 2.247 -0.698 1.00 0.00 H new ATOM 0 HA LEU A 44 3.732 1.289 -3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.914 0.720 -3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.074 2.361 -3.337 1.00 0.00 H new ATOM 0 HG LEU A 44 6.744 1.310 -1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.733 -0.941 -1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.982 -0.966 -1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.131 -1.083 -2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.078 1.043 -1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.529 0.978 -3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.309 2.466 -2.567 1.00 0.00 H new ATOM 646 N VAL A 45 3.748 -1.043 -2.391 1.00 0.00 N ATOM 647 CA VAL A 45 3.505 -2.330 -1.752 1.00 0.00 C ATOM 648 C VAL A 45 4.372 -3.422 -2.367 1.00 0.00 C ATOM 649 O VAL A 45 4.197 -3.787 -3.530 1.00 0.00 O ATOM 650 CB VAL A 45 2.025 -2.741 -1.863 1.00 0.00 C ATOM 651 CG1 VAL A 45 1.742 -3.958 -0.996 1.00 0.00 C ATOM 652 CG2 VAL A 45 1.119 -1.580 -1.479 1.00 0.00 C ATOM 0 H VAL A 45 3.533 -1.020 -3.388 1.00 0.00 H new ATOM 0 HA VAL A 45 3.764 -2.215 -0.700 1.00 0.00 H new ATOM 0 HB VAL A 45 1.817 -3.007 -2.899 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.691 -4.234 -1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.365 -4.790 -1.323 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.966 -3.724 0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.077 -1.888 -1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.327 -1.281 -0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.303 -0.738 -2.147 1.00 0.00 H new ATOM 662 N ARG A 46 5.308 -3.942 -1.579 1.00 0.00 N ATOM 663 CA ARG A 46 6.203 -4.993 -2.047 1.00 0.00 C ATOM 664 C ARG A 46 6.009 -6.272 -1.238 1.00 0.00 C ATOM 665 O ARG A 46 5.234 -6.303 -0.282 1.00 0.00 O ATOM 666 CB ARG A 46 7.659 -4.532 -1.951 1.00 0.00 C ATOM 667 CG ARG A 46 8.127 -4.285 -0.526 1.00 0.00 C ATOM 668 CD ARG A 46 9.481 -3.593 -0.497 1.00 0.00 C ATOM 669 NE ARG A 46 10.231 -3.910 0.715 1.00 0.00 N ATOM 670 CZ ARG A 46 10.638 -5.135 1.028 1.00 0.00 C ATOM 671 NH1 ARG A 46 10.369 -6.153 0.223 1.00 0.00 N ATOM 672 NH2 ARG A 46 11.317 -5.344 2.149 1.00 0.00 N ATOM 0 H ARG A 46 5.466 -3.652 -0.614 1.00 0.00 H new ATOM 0 HA ARG A 46 5.963 -5.203 -3.089 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.300 -5.284 -2.410 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.780 -3.615 -2.528 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.393 -3.673 -0.002 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.190 -5.234 0.007 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.060 -3.893 -1.371 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.338 -2.514 -0.564 1.00 0.00 H new ATOM 0 HE ARG A 46 10.455 -3.149 1.356 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.848 -5.997 -0.640 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.683 -7.092 0.466 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.527 -4.563 2.771 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.629 -6.285 2.388 1.00 0.00 H new ATOM 686 N ASP A 47 6.718 -7.326 -1.628 1.00 0.00 N ATOM 687 CA ASP A 47 6.625 -8.608 -0.940 1.00 0.00 C ATOM 688 C ASP A 47 7.465 -8.603 0.334 1.00 0.00 C ATOM 689 O ASP A 47 8.650 -8.270 0.307 1.00 0.00 O ATOM 690 CB ASP A 47 7.080 -9.740 -1.861 1.00 0.00 C ATOM 691 CG ASP A 47 6.432 -11.066 -1.513 1.00 0.00 C ATOM 692 OD1 ASP A 47 5.372 -11.052 -0.854 1.00 0.00 O ATOM 693 OD2 ASP A 47 6.986 -12.117 -1.899 1.00 0.00 O ATOM 0 H ASP A 47 7.364 -7.317 -2.418 1.00 0.00 H new ATOM 0 HA ASP A 47 5.583 -8.770 -0.666 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.842 -9.483 -2.893 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.164 -9.841 -1.799 1.00 0.00 H new ATOM 698 N SER A 48 6.843 -8.973 1.449 1.00 0.00 N ATOM 699 CA SER A 48 7.531 -9.006 2.734 1.00 0.00 C ATOM 700 C SER A 48 8.757 -9.912 2.669 1.00 0.00 C ATOM 701 O SER A 48 9.011 -10.560 1.654 1.00 0.00 O ATOM 702 CB SER A 48 6.583 -9.490 3.832 1.00 0.00 C ATOM 703 OG SER A 48 7.232 -9.516 5.091 1.00 0.00 O ATOM 0 H SER A 48 5.863 -9.254 1.488 1.00 0.00 H new ATOM 0 HA SER A 48 7.860 -7.994 2.969 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.714 -8.834 3.881 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.217 -10.487 3.587 1.00 0.00 H new ATOM 0 HG SER A 48 6.604 -9.827 5.776 1.00 0.00 H new ATOM 766 N ASP A 54 3.557 -12.274 2.885 1.00 0.00 N ATOM 767 CA ASP A 54 3.101 -11.020 3.475 1.00 0.00 C ATOM 768 C ASP A 54 3.540 -9.830 2.628 1.00 0.00 C ATOM 769 O ASP A 54 4.287 -9.984 1.661 1.00 0.00 O ATOM 770 CB ASP A 54 3.640 -10.876 4.899 1.00 0.00 C ATOM 771 CG ASP A 54 2.698 -10.101 5.799 1.00 0.00 C ATOM 772 OD1 ASP A 54 2.774 -8.854 5.804 1.00 0.00 O ATOM 773 OD2 ASP A 54 1.885 -10.740 6.498 1.00 0.00 O ATOM 0 HA ASP A 54 2.012 -11.037 3.508 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.810 -11.866 5.322 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.606 -10.372 4.869 1.00 0.00 H new ATOM 778 N TYR A 55 3.071 -8.643 2.997 1.00 0.00 N ATOM 779 CA TYR A 55 3.412 -7.426 2.269 1.00 0.00 C ATOM 780 C TYR A 55 3.777 -6.300 3.231 1.00 0.00 C ATOM 781 O TYR A 55 3.464 -6.358 4.421 1.00 0.00 O ATOM 782 CB TYR A 55 2.245 -6.995 1.380 1.00 0.00 C ATOM 783 CG TYR A 55 1.888 -8.007 0.315 1.00 0.00 C ATOM 784 CD1 TYR A 55 2.801 -8.359 -0.671 1.00 0.00 C ATOM 785 CD2 TYR A 55 0.637 -8.612 0.295 1.00 0.00 C ATOM 786 CE1 TYR A 55 2.479 -9.284 -1.646 1.00 0.00 C ATOM 787 CE2 TYR A 55 0.306 -9.538 -0.675 1.00 0.00 C ATOM 788 CZ TYR A 55 1.231 -9.870 -1.643 1.00 0.00 C ATOM 789 OH TYR A 55 0.905 -10.792 -2.612 1.00 0.00 O ATOM 0 H TYR A 55 2.454 -8.498 3.796 1.00 0.00 H new ATOM 0 HA TYR A 55 4.278 -7.638 1.642 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.371 -6.814 2.005 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.495 -6.049 0.901 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.779 -7.902 -0.676 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.089 -8.354 1.051 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.201 -9.546 -2.406 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.671 -9.999 -0.676 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.011 -11.110 -2.466 1.00 0.00 H new ATOM 799 N VAL A 56 4.440 -5.274 2.707 1.00 0.00 N ATOM 800 CA VAL A 56 4.847 -4.132 3.517 1.00 0.00 C ATOM 801 C VAL A 56 4.656 -2.824 2.758 1.00 0.00 C ATOM 802 O VAL A 56 5.413 -2.511 1.838 1.00 0.00 O ATOM 803 CB VAL A 56 6.319 -4.250 3.954 1.00 0.00 C ATOM 804 CG1 VAL A 56 6.733 -3.034 4.768 1.00 0.00 C ATOM 805 CG2 VAL A 56 6.539 -5.531 4.744 1.00 0.00 C ATOM 0 H VAL A 56 4.707 -5.210 1.725 1.00 0.00 H new ATOM 0 HA VAL A 56 4.212 -4.130 4.403 1.00 0.00 H new ATOM 0 HB VAL A 56 6.943 -4.289 3.061 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.776 -3.135 5.068 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.615 -2.134 4.164 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.106 -2.960 5.656 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.585 -5.598 5.045 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.906 -5.525 5.631 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.284 -6.390 4.123 1.00 0.00 H new ATOM 815 N LEU A 57 3.640 -2.062 3.149 1.00 0.00 N ATOM 816 CA LEU A 57 3.349 -0.786 2.506 1.00 0.00 C ATOM 817 C LEU A 57 4.331 0.289 2.961 1.00 0.00 C ATOM 818 O LEU A 57 4.230 0.807 4.073 1.00 0.00 O ATOM 819 CB LEU A 57 1.917 -0.349 2.819 1.00 0.00 C ATOM 820 CG LEU A 57 1.607 1.134 2.613 1.00 0.00 C ATOM 821 CD1 LEU A 57 1.209 1.400 1.169 1.00 0.00 C ATOM 822 CD2 LEU A 57 0.508 1.586 3.563 1.00 0.00 C ATOM 0 H LEU A 57 3.004 -2.306 3.908 1.00 0.00 H new ATOM 0 HA LEU A 57 3.455 -0.918 1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.237 -0.931 2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.699 -0.604 3.856 1.00 0.00 H new ATOM 0 HG LEU A 57 2.507 1.708 2.832 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.992 2.460 1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.027 1.115 0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.322 0.816 0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.301 2.644 3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.396 1.006 3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.831 1.432 4.593 1.00 0.00 H new ATOM 834 N SER A 58 5.281 0.622 2.092 1.00 0.00 N ATOM 835 CA SER A 58 6.282 1.634 2.404 1.00 0.00 C ATOM 836 C SER A 58 5.858 3.000 1.873 1.00 0.00 C ATOM 837 O SER A 58 5.539 3.148 0.693 1.00 0.00 O ATOM 838 CB SER A 58 7.637 1.242 1.812 1.00 0.00 C ATOM 839 OG SER A 58 8.068 -0.013 2.310 1.00 0.00 O ATOM 0 H SER A 58 5.378 0.205 1.166 1.00 0.00 H new ATOM 0 HA SER A 58 6.372 1.697 3.488 1.00 0.00 H new ATOM 0 HB2 SER A 58 7.564 1.200 0.725 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.377 2.006 2.052 1.00 0.00 H new ATOM 0 HG SER A 58 8.489 0.110 3.186 1.00 0.00 H new ATOM 845 N VAL A 59 5.858 3.997 2.753 1.00 0.00 N ATOM 846 CA VAL A 59 5.475 5.351 2.374 1.00 0.00 C ATOM 847 C VAL A 59 6.512 6.367 2.840 1.00 0.00 C ATOM 848 O VAL A 59 7.254 6.120 3.790 1.00 0.00 O ATOM 849 CB VAL A 59 4.102 5.731 2.959 1.00 0.00 C ATOM 850 CG1 VAL A 59 3.151 4.545 2.903 1.00 0.00 C ATOM 851 CG2 VAL A 59 4.253 6.236 4.386 1.00 0.00 C ATOM 0 H VAL A 59 6.119 3.892 3.733 1.00 0.00 H new ATOM 0 HA VAL A 59 5.416 5.369 1.286 1.00 0.00 H new ATOM 0 HB VAL A 59 3.679 6.534 2.356 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.186 4.832 3.321 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.020 4.233 1.867 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.565 3.719 3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.273 6.500 4.784 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.697 5.455 5.003 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.897 7.115 4.395 1.00 0.00 H new ATOM 861 N SER A 60 6.557 7.511 2.164 1.00 0.00 N ATOM 862 CA SER A 60 7.506 8.564 2.507 1.00 0.00 C ATOM 863 C SER A 60 6.874 9.576 3.457 1.00 0.00 C ATOM 864 O SER A 60 5.911 10.256 3.105 1.00 0.00 O ATOM 865 CB SER A 60 7.995 9.271 1.241 1.00 0.00 C ATOM 866 OG SER A 60 9.146 10.054 1.507 1.00 0.00 O ATOM 0 H SER A 60 5.948 7.732 1.376 1.00 0.00 H new ATOM 0 HA SER A 60 8.357 8.103 3.009 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.223 8.532 0.473 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.202 9.906 0.846 1.00 0.00 H new ATOM 0 HG SER A 60 9.928 9.641 1.084 1.00 0.00 H new ATOM 872 N GLU A 61 7.425 9.670 4.664 1.00 0.00 N ATOM 873 CA GLU A 61 6.915 10.598 5.666 1.00 0.00 C ATOM 874 C GLU A 61 7.881 10.715 6.841 1.00 0.00 C ATOM 875 O GLU A 61 8.536 9.744 7.218 1.00 0.00 O ATOM 876 CB GLU A 61 5.542 10.143 6.163 1.00 0.00 C ATOM 877 CG GLU A 61 4.876 11.133 7.105 1.00 0.00 C ATOM 878 CD GLU A 61 5.110 12.574 6.696 1.00 0.00 C ATOM 879 OE1 GLU A 61 4.626 12.969 5.615 1.00 0.00 O ATOM 880 OE2 GLU A 61 5.777 13.306 7.456 1.00 0.00 O ATOM 0 H GLU A 61 8.224 9.115 4.971 1.00 0.00 H new ATOM 0 HA GLU A 61 6.817 11.578 5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.891 9.977 5.305 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.648 9.185 6.672 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.804 10.937 7.134 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.256 10.980 8.115 1.00 0.00 H new ATOM 887 N ASN A 62 7.963 11.911 7.416 1.00 0.00 N ATOM 888 CA ASN A 62 8.850 12.156 8.548 1.00 0.00 C ATOM 889 C ASN A 62 10.309 11.958 8.148 1.00 0.00 C ATOM 890 O ASN A 62 11.134 11.542 8.961 1.00 0.00 O ATOM 891 CB ASN A 62 8.497 11.225 9.709 1.00 0.00 C ATOM 892 CG ASN A 62 7.466 11.830 10.643 1.00 0.00 C ATOM 893 OD1 ASN A 62 7.683 12.897 11.216 1.00 0.00 O ATOM 894 ND2 ASN A 62 6.337 11.148 10.799 1.00 0.00 N ATOM 0 H ASN A 62 7.426 12.725 7.117 1.00 0.00 H new ATOM 0 HA ASN A 62 8.716 13.190 8.866 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.116 10.283 9.313 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.401 10.992 10.272 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.606 11.505 11.414 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.201 10.267 10.303 1.00 0.00 H new ATOM 901 N SER A 63 10.619 12.261 6.892 1.00 0.00 N ATOM 902 CA SER A 63 11.978 12.114 6.383 1.00 0.00 C ATOM 903 C SER A 63 12.439 10.663 6.477 1.00 0.00 C ATOM 904 O SER A 63 13.633 10.386 6.590 1.00 0.00 O ATOM 905 CB SER A 63 12.937 13.017 7.162 1.00 0.00 C ATOM 906 OG SER A 63 14.264 12.885 6.683 1.00 0.00 O ATOM 0 H SER A 63 9.948 12.610 6.208 1.00 0.00 H new ATOM 0 HA SER A 63 11.981 12.411 5.334 1.00 0.00 H new ATOM 0 HB2 SER A 63 12.617 14.055 7.074 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.902 12.762 8.221 1.00 0.00 H new ATOM 0 HG SER A 63 14.480 11.935 6.576 1.00 0.00 H new ATOM 912 N ARG A 64 11.483 9.741 6.429 1.00 0.00 N ATOM 913 CA ARG A 64 11.790 8.318 6.509 1.00 0.00 C ATOM 914 C ARG A 64 10.772 7.497 5.722 1.00 0.00 C ATOM 915 O ARG A 64 9.854 8.046 5.113 1.00 0.00 O ATOM 916 CB ARG A 64 11.811 7.861 7.969 1.00 0.00 C ATOM 917 CG ARG A 64 10.623 8.354 8.779 1.00 0.00 C ATOM 918 CD ARG A 64 9.434 7.415 8.651 1.00 0.00 C ATOM 919 NE ARG A 64 8.468 7.605 9.730 1.00 0.00 N ATOM 920 CZ ARG A 64 8.592 7.054 10.933 1.00 0.00 C ATOM 921 NH1 ARG A 64 9.636 6.284 11.208 1.00 0.00 N ATOM 922 NH2 ARG A 64 7.672 7.274 11.863 1.00 0.00 N ATOM 0 H ARG A 64 10.490 9.954 6.335 1.00 0.00 H new ATOM 0 HA ARG A 64 12.775 8.159 6.071 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.834 6.772 8.000 1.00 0.00 H new ATOM 0 HB3 ARG A 64 12.730 8.212 8.438 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.907 8.442 9.828 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.339 9.351 8.441 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.943 7.580 7.692 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.785 6.383 8.656 1.00 0.00 H new ATOM 0 HE ARG A 64 7.654 8.193 9.550 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.346 6.114 10.496 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.729 5.862 12.132 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.868 7.867 11.655 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.768 6.850 12.786 1.00 0.00 H new ATOM 936 N VAL A 65 10.942 6.179 5.740 1.00 0.00 N ATOM 937 CA VAL A 65 10.038 5.282 5.029 1.00 0.00 C ATOM 938 C VAL A 65 9.253 4.409 6.002 1.00 0.00 C ATOM 939 O VAL A 65 9.786 3.451 6.562 1.00 0.00 O ATOM 940 CB VAL A 65 10.804 4.376 4.047 1.00 0.00 C ATOM 941 CG1 VAL A 65 9.839 3.495 3.269 1.00 0.00 C ATOM 942 CG2 VAL A 65 11.654 5.213 3.103 1.00 0.00 C ATOM 0 H VAL A 65 11.697 5.709 6.239 1.00 0.00 H new ATOM 0 HA VAL A 65 9.345 5.910 4.468 1.00 0.00 H new ATOM 0 HB VAL A 65 11.468 3.728 4.620 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.399 2.862 2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.278 2.869 3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.148 4.122 2.705 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.188 4.557 2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 65 11.012 5.887 2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.372 5.796 3.680 1.00 0.00 H new ATOM 952 N SER A 66 7.982 4.747 6.198 1.00 0.00 N ATOM 953 CA SER A 66 7.123 3.996 7.106 1.00 0.00 C ATOM 954 C SER A 66 6.726 2.656 6.494 1.00 0.00 C ATOM 955 O SER A 66 5.967 2.603 5.525 1.00 0.00 O ATOM 956 CB SER A 66 5.870 4.806 7.443 1.00 0.00 C ATOM 957 OG SER A 66 6.181 5.893 8.297 1.00 0.00 O ATOM 0 H SER A 66 7.525 5.536 5.740 1.00 0.00 H new ATOM 0 HA SER A 66 7.682 3.806 8.022 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.416 5.179 6.525 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.134 4.161 7.923 1.00 0.00 H new ATOM 0 HG SER A 66 5.364 6.396 8.497 1.00 0.00 H new ATOM 963 N HIS A 67 7.245 1.574 7.066 1.00 0.00 N ATOM 964 CA HIS A 67 6.945 0.232 6.578 1.00 0.00 C ATOM 965 C HIS A 67 5.746 -0.358 7.314 1.00 0.00 C ATOM 966 O HIS A 67 5.881 -0.884 8.419 1.00 0.00 O ATOM 967 CB HIS A 67 8.161 -0.679 6.748 1.00 0.00 C ATOM 968 CG HIS A 67 9.383 -0.186 6.036 1.00 0.00 C ATOM 969 ND1 HIS A 67 9.575 -0.335 4.678 1.00 0.00 N ATOM 970 CD2 HIS A 67 10.479 0.459 6.500 1.00 0.00 C ATOM 971 CE1 HIS A 67 10.736 0.196 4.339 1.00 0.00 C ATOM 972 NE2 HIS A 67 11.305 0.685 5.427 1.00 0.00 N ATOM 0 H HIS A 67 7.875 1.600 7.868 1.00 0.00 H new ATOM 0 HA HIS A 67 6.700 0.304 5.518 1.00 0.00 H new ATOM 0 HB2 HIS A 67 8.385 -0.778 7.810 1.00 0.00 H new ATOM 0 HB3 HIS A 67 7.913 -1.675 6.380 1.00 0.00 H new ATOM 0 HD2 HIS A 67 10.668 0.743 7.525 1.00 0.00 H new ATOM 0 HE1 HIS A 67 11.150 0.226 3.342 1.00 0.00 H new ATOM 0 HE2 HIS A 67 12.210 1.154 5.464 1.00 0.00 H new ATOM 981 N TYR A 68 4.574 -0.266 6.694 1.00 0.00 N ATOM 982 CA TYR A 68 3.351 -0.788 7.292 1.00 0.00 C ATOM 983 C TYR A 68 3.107 -2.231 6.861 1.00 0.00 C ATOM 984 O TYR A 68 2.616 -2.487 5.761 1.00 0.00 O ATOM 985 CB TYR A 68 2.156 0.083 6.900 1.00 0.00 C ATOM 986 CG TYR A 68 2.182 1.462 7.519 1.00 0.00 C ATOM 987 CD1 TYR A 68 2.061 1.632 8.892 1.00 0.00 C ATOM 988 CD2 TYR A 68 2.330 2.596 6.729 1.00 0.00 C ATOM 989 CE1 TYR A 68 2.084 2.890 9.462 1.00 0.00 C ATOM 990 CE2 TYR A 68 2.356 3.858 7.290 1.00 0.00 C ATOM 991 CZ TYR A 68 2.232 4.000 8.657 1.00 0.00 C ATOM 992 OH TYR A 68 2.257 5.256 9.220 1.00 0.00 O ATOM 0 H TYR A 68 4.446 0.165 5.778 1.00 0.00 H new ATOM 0 HA TYR A 68 3.468 -0.767 8.376 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.130 0.182 5.815 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.237 -0.422 7.197 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.947 0.765 9.526 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.426 2.489 5.659 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.987 3.004 10.532 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.473 4.729 6.662 1.00 0.00 H new ATOM 0 HH TYR A 68 2.718 5.218 10.084 1.00 0.00 H new ATOM 1002 N ILE A 69 3.452 -3.169 7.736 1.00 0.00 N ATOM 1003 CA ILE A 69 3.269 -4.586 7.448 1.00 0.00 C ATOM 1004 C ILE A 69 1.792 -4.927 7.283 1.00 0.00 C ATOM 1005 O ILE A 69 0.966 -4.577 8.126 1.00 0.00 O ATOM 1006 CB ILE A 69 3.867 -5.468 8.560 1.00 0.00 C ATOM 1007 CG1 ILE A 69 5.369 -5.211 8.692 1.00 0.00 C ATOM 1008 CG2 ILE A 69 3.599 -6.938 8.271 1.00 0.00 C ATOM 1009 CD1 ILE A 69 6.027 -6.023 9.786 1.00 0.00 C ATOM 0 H ILE A 69 3.860 -2.973 8.650 1.00 0.00 H new ATOM 0 HA ILE A 69 3.793 -4.789 6.514 1.00 0.00 H new ATOM 0 HB ILE A 69 3.389 -5.210 9.505 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.853 -5.437 7.742 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.532 -4.151 8.889 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.028 -7.549 9.065 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.524 -7.109 8.222 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.054 -7.210 7.319 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.091 -5.790 9.822 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.569 -5.780 10.745 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.895 -7.085 9.580 1.00 0.00 H new ATOM 1021 N ILE A 70 1.467 -5.614 6.193 1.00 0.00 N ATOM 1022 CA ILE A 70 0.090 -6.005 5.919 1.00 0.00 C ATOM 1023 C ILE A 70 -0.109 -7.502 6.131 1.00 0.00 C ATOM 1024 O ILE A 70 0.387 -8.320 5.357 1.00 0.00 O ATOM 1025 CB ILE A 70 -0.323 -5.642 4.481 1.00 0.00 C ATOM 1026 CG1 ILE A 70 -0.437 -4.124 4.327 1.00 0.00 C ATOM 1027 CG2 ILE A 70 -1.639 -6.317 4.121 1.00 0.00 C ATOM 1028 CD1 ILE A 70 0.858 -3.461 3.913 1.00 0.00 C ATOM 0 H ILE A 70 2.139 -5.911 5.485 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.539 -5.455 6.618 1.00 0.00 H new ATOM 0 HB ILE A 70 0.446 -6.001 3.797 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.204 -3.898 3.587 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.770 -3.695 5.272 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.918 -6.051 3.101 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.525 -7.399 4.195 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.418 -5.986 4.808 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.704 -2.386 3.823 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.623 -3.656 4.664 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.182 -3.863 2.953 1.00 0.00 H new ATOM 1040 N ASN A 71 -0.839 -7.853 7.185 1.00 0.00 N ATOM 1041 CA ASN A 71 -1.105 -9.252 7.498 1.00 0.00 C ATOM 1042 C ASN A 71 -2.175 -9.824 6.572 1.00 0.00 C ATOM 1043 O ASN A 71 -3.246 -9.240 6.410 1.00 0.00 O ATOM 1044 CB ASN A 71 -1.548 -9.395 8.956 1.00 0.00 C ATOM 1045 CG ASN A 71 -0.455 -9.005 9.933 1.00 0.00 C ATOM 1046 OD1 ASN A 71 -0.671 -8.190 10.830 1.00 0.00 O ATOM 1047 ND2 ASN A 71 0.726 -9.586 9.762 1.00 0.00 N ATOM 0 H ASN A 71 -1.257 -7.188 7.836 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.182 -9.813 7.348 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.426 -8.772 9.129 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.847 -10.426 9.143 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.500 -9.363 10.388 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.860 -10.256 9.005 1.00 0.00 H new ATOM 1054 N SER A 72 -1.876 -10.969 5.968 1.00 0.00 N ATOM 1055 CA SER A 72 -2.810 -11.619 5.056 1.00 0.00 C ATOM 1056 C SER A 72 -3.710 -12.597 5.805 1.00 0.00 C ATOM 1057 O SER A 72 -3.274 -13.676 6.207 1.00 0.00 O ATOM 1058 CB SER A 72 -2.049 -12.352 3.950 1.00 0.00 C ATOM 1059 OG SER A 72 -2.942 -12.992 3.055 1.00 0.00 O ATOM 0 H SER A 72 -0.994 -11.466 6.094 1.00 0.00 H new ATOM 0 HA SER A 72 -3.436 -10.848 4.607 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.425 -11.645 3.403 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.381 -13.091 4.392 1.00 0.00 H new ATOM 0 HG SER A 72 -2.431 -13.452 2.357 1.00 0.00 H new ATOM 1065 N LEU A 73 -4.968 -12.211 5.989 1.00 0.00 N ATOM 1066 CA LEU A 73 -5.931 -13.053 6.690 1.00 0.00 C ATOM 1067 C LEU A 73 -6.351 -14.237 5.825 1.00 0.00 C ATOM 1068 O LEU A 73 -6.467 -14.134 4.604 1.00 0.00 O ATOM 1069 CB LEU A 73 -7.161 -12.234 7.085 1.00 0.00 C ATOM 1070 CG LEU A 73 -6.885 -10.879 7.737 1.00 0.00 C ATOM 1071 CD1 LEU A 73 -8.176 -10.092 7.902 1.00 0.00 C ATOM 1072 CD2 LEU A 73 -6.196 -11.065 9.082 1.00 0.00 C ATOM 0 H LEU A 73 -5.345 -11.321 5.663 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.452 -13.437 7.591 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.764 -12.069 6.192 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.763 -12.829 7.771 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.220 -10.313 7.085 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.959 -9.131 8.368 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.629 -9.928 6.924 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.866 -10.653 8.532 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.007 -10.090 9.532 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.837 -11.651 9.741 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.250 -11.587 8.937 1.00 0.00 H new ATOM 1084 N PRO A 74 -6.586 -15.388 6.471 1.00 0.00 N ATOM 1085 CA PRO A 74 -6.999 -16.614 5.781 1.00 0.00 C ATOM 1086 C PRO A 74 -8.418 -16.519 5.231 1.00 0.00 C ATOM 1087 O PRO A 74 -8.908 -17.446 4.588 1.00 0.00 O ATOM 1088 CB PRO A 74 -6.920 -17.681 6.875 1.00 0.00 C ATOM 1089 CG PRO A 74 -7.095 -16.931 8.150 1.00 0.00 C ATOM 1090 CD PRO A 74 -6.468 -15.583 7.926 1.00 0.00 C ATOM 0 HA PRO A 74 -6.372 -16.825 4.915 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.697 -18.435 6.749 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -5.963 -18.203 6.851 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.151 -16.833 8.404 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -6.615 -17.452 8.978 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -6.988 -14.801 8.479 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.428 -15.565 8.251 1.00 0.00 H new ATOM 1098 N ASN A 75 -9.073 -15.391 5.487 1.00 0.00 N ATOM 1099 CA ASN A 75 -10.437 -15.175 5.017 1.00 0.00 C ATOM 1100 C ASN A 75 -10.446 -14.351 3.733 1.00 0.00 C ATOM 1101 O ASN A 75 -11.245 -13.427 3.582 1.00 0.00 O ATOM 1102 CB ASN A 75 -11.264 -14.470 6.094 1.00 0.00 C ATOM 1103 CG ASN A 75 -11.096 -12.964 6.059 1.00 0.00 C ATOM 1104 OD1 ASN A 75 -12.022 -12.233 5.708 1.00 0.00 O ATOM 1105 ND2 ASN A 75 -9.909 -12.492 6.424 1.00 0.00 N ATOM 0 H ASN A 75 -8.681 -14.613 6.017 1.00 0.00 H new ATOM 0 HA ASN A 75 -10.880 -16.148 4.806 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -12.317 -14.718 5.960 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -10.971 -14.843 7.075 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -9.737 -11.487 6.420 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.170 -13.135 6.708 1.00 0.00 H new ATOM 1112 N ARG A 76 -9.552 -14.693 2.811 1.00 0.00 N ATOM 1113 CA ARG A 76 -9.456 -13.985 1.540 1.00 0.00 C ATOM 1114 C ARG A 76 -9.393 -12.477 1.762 1.00 0.00 C ATOM 1115 O ARG A 76 -9.867 -11.698 0.935 1.00 0.00 O ATOM 1116 CB ARG A 76 -10.650 -14.331 0.649 1.00 0.00 C ATOM 1117 CG ARG A 76 -10.793 -15.819 0.372 1.00 0.00 C ATOM 1118 CD ARG A 76 -11.608 -16.511 1.453 1.00 0.00 C ATOM 1119 NE ARG A 76 -11.349 -17.947 1.499 1.00 0.00 N ATOM 1120 CZ ARG A 76 -11.954 -18.828 0.710 1.00 0.00 C ATOM 1121 NH1 ARG A 76 -12.847 -18.422 -0.182 1.00 0.00 N ATOM 1122 NH2 ARG A 76 -11.664 -20.119 0.811 1.00 0.00 N ATOM 0 H ARG A 76 -8.884 -15.456 2.920 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.538 -14.300 1.044 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.563 -13.969 1.122 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.551 -13.802 -0.299 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.272 -15.966 -0.596 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.805 -16.276 0.311 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -11.374 -16.069 2.422 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -12.669 -16.340 1.272 1.00 0.00 H new ATOM 0 HE ARG A 76 -10.666 -18.293 2.174 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -13.071 -17.430 -0.264 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -13.310 -19.101 -0.786 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -10.976 -20.435 1.495 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -12.129 -20.795 0.205 1.00 0.00 H new ATOM 1136 N ARG A 77 -8.805 -12.072 2.883 1.00 0.00 N ATOM 1137 CA ARG A 77 -8.682 -10.658 3.214 1.00 0.00 C ATOM 1138 C ARG A 77 -7.360 -10.379 3.924 1.00 0.00 C ATOM 1139 O ARG A 77 -6.705 -11.295 4.421 1.00 0.00 O ATOM 1140 CB ARG A 77 -9.851 -10.215 4.096 1.00 0.00 C ATOM 1141 CG ARG A 77 -11.002 -9.600 3.317 1.00 0.00 C ATOM 1142 CD ARG A 77 -12.022 -10.652 2.909 1.00 0.00 C ATOM 1143 NE ARG A 77 -13.350 -10.077 2.709 1.00 0.00 N ATOM 1144 CZ ARG A 77 -14.432 -10.802 2.444 1.00 0.00 C ATOM 1145 NH1 ARG A 77 -14.343 -12.121 2.349 1.00 0.00 N ATOM 1146 NH2 ARG A 77 -15.605 -10.206 2.275 1.00 0.00 N ATOM 0 H ARG A 77 -8.406 -12.704 3.577 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.702 -10.090 2.284 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.220 -11.075 4.655 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.490 -9.491 4.827 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -11.488 -8.837 3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -10.616 -9.101 2.428 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -11.695 -11.137 1.989 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -12.073 -11.425 3.676 1.00 0.00 H new ATOM 0 HE ARG A 77 -13.452 -9.064 2.776 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.443 -12.582 2.479 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -15.175 -12.675 2.146 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -15.677 -9.191 2.348 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -16.435 -10.763 2.072 1.00 0.00 H new ATOM 1160 N PHE A 78 -6.975 -9.108 3.968 1.00 0.00 N ATOM 1161 CA PHE A 78 -5.731 -8.708 4.615 1.00 0.00 C ATOM 1162 C PHE A 78 -6.011 -7.904 5.882 1.00 0.00 C ATOM 1163 O PHE A 78 -7.165 -7.697 6.257 1.00 0.00 O ATOM 1164 CB PHE A 78 -4.872 -7.884 3.654 1.00 0.00 C ATOM 1165 CG PHE A 78 -4.469 -8.634 2.417 1.00 0.00 C ATOM 1166 CD1 PHE A 78 -5.394 -8.905 1.422 1.00 0.00 C ATOM 1167 CD2 PHE A 78 -3.164 -9.070 2.250 1.00 0.00 C ATOM 1168 CE1 PHE A 78 -5.026 -9.595 0.282 1.00 0.00 C ATOM 1169 CE2 PHE A 78 -2.790 -9.760 1.112 1.00 0.00 C ATOM 1170 CZ PHE A 78 -3.723 -10.024 0.128 1.00 0.00 C ATOM 0 H PHE A 78 -7.507 -8.337 3.563 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.188 -9.612 4.891 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.422 -6.989 3.364 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.975 -7.551 4.176 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -6.415 -8.573 1.538 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -2.431 -8.868 3.017 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -5.757 -9.798 -0.487 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.769 -10.092 0.992 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.433 -10.565 -0.761 1.00 0.00 H new ATOM 1180 N LYS A 79 -4.947 -7.454 6.537 1.00 0.00 N ATOM 1181 CA LYS A 79 -5.075 -6.672 7.761 1.00 0.00 C ATOM 1182 C LYS A 79 -3.812 -5.858 8.022 1.00 0.00 C ATOM 1183 O LYS A 79 -2.787 -6.402 8.436 1.00 0.00 O ATOM 1184 CB LYS A 79 -5.358 -7.591 8.951 1.00 0.00 C ATOM 1185 CG LYS A 79 -5.401 -6.865 10.284 1.00 0.00 C ATOM 1186 CD LYS A 79 -5.152 -7.814 11.444 1.00 0.00 C ATOM 1187 CE LYS A 79 -5.706 -7.258 12.747 1.00 0.00 C ATOM 1188 NZ LYS A 79 -7.118 -7.675 12.973 1.00 0.00 N ATOM 0 H LYS A 79 -3.985 -7.618 6.240 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.910 -5.983 7.636 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.311 -8.096 8.791 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.591 -8.364 8.993 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.651 -6.074 10.293 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.372 -6.385 10.407 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.615 -8.778 11.233 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.081 -7.990 11.548 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -5.089 -7.599 13.579 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -5.647 -6.170 12.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.458 -7.276 13.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.712 -7.328 12.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.171 -8.713 13.013 1.00 0.00 H new ATOM 1202 N ILE A 80 -3.892 -4.554 7.779 1.00 0.00 N ATOM 1203 CA ILE A 80 -2.756 -3.667 7.991 1.00 0.00 C ATOM 1204 C ILE A 80 -2.723 -3.147 9.424 1.00 0.00 C ATOM 1205 O ILE A 80 -3.452 -2.221 9.777 1.00 0.00 O ATOM 1206 CB ILE A 80 -2.789 -2.469 7.024 1.00 0.00 C ATOM 1207 CG1 ILE A 80 -1.858 -1.360 7.518 1.00 0.00 C ATOM 1208 CG2 ILE A 80 -4.210 -1.947 6.875 1.00 0.00 C ATOM 1209 CD1 ILE A 80 -1.426 -0.403 6.430 1.00 0.00 C ATOM 0 H ILE A 80 -4.732 -4.089 7.435 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.858 -4.255 7.799 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.440 -2.802 6.046 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.361 -0.799 8.305 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.973 -1.812 7.965 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.217 -1.100 6.188 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.849 -2.738 6.482 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.584 -1.628 7.848 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.768 0.356 6.853 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.894 -0.952 5.653 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.304 0.078 5.999 1.00 0.00 H new ATOM 1221 N GLY A 81 -1.871 -3.750 10.248 1.00 0.00 N ATOM 1222 CA GLY A 81 -1.758 -3.334 11.633 1.00 0.00 C ATOM 1223 C GLY A 81 -2.958 -3.746 12.462 1.00 0.00 C ATOM 1224 O GLY A 81 -3.060 -4.895 12.892 1.00 0.00 O ATOM 0 H GLY A 81 -1.257 -4.519 9.980 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.856 -3.765 12.066 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.646 -2.251 11.676 1.00 0.00 H new ATOM 1228 N ASP A 82 -3.869 -2.805 12.689 1.00 0.00 N ATOM 1229 CA ASP A 82 -5.069 -3.076 13.472 1.00 0.00 C ATOM 1230 C ASP A 82 -6.326 -2.794 12.656 1.00 0.00 C ATOM 1231 O ASP A 82 -7.388 -2.516 13.212 1.00 0.00 O ATOM 1232 CB ASP A 82 -5.073 -2.230 14.747 1.00 0.00 C ATOM 1233 CG ASP A 82 -6.043 -2.755 15.787 1.00 0.00 C ATOM 1234 OD1 ASP A 82 -6.220 -3.989 15.865 1.00 0.00 O ATOM 1235 OD2 ASP A 82 -6.624 -1.932 16.524 1.00 0.00 O ATOM 0 H ASP A 82 -3.799 -1.848 12.342 1.00 0.00 H new ATOM 0 HA ASP A 82 -5.064 -4.131 13.745 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.068 -2.209 15.169 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.335 -1.202 14.497 1.00 0.00 H new ATOM 1240 N GLN A 83 -6.197 -2.867 11.335 1.00 0.00 N ATOM 1241 CA GLN A 83 -7.323 -2.618 10.443 1.00 0.00 C ATOM 1242 C GLN A 83 -7.475 -3.747 9.430 1.00 0.00 C ATOM 1243 O GLN A 83 -6.522 -4.474 9.150 1.00 0.00 O ATOM 1244 CB GLN A 83 -7.139 -1.285 9.715 1.00 0.00 C ATOM 1245 CG GLN A 83 -7.366 -0.071 10.601 1.00 0.00 C ATOM 1246 CD GLN A 83 -6.539 1.126 10.175 1.00 0.00 C ATOM 1247 OE1 GLN A 83 -6.924 1.873 9.276 1.00 0.00 O ATOM 1248 NE2 GLN A 83 -5.393 1.314 10.821 1.00 0.00 N ATOM 0 H GLN A 83 -5.324 -3.096 10.859 1.00 0.00 H new ATOM 0 HA GLN A 83 -8.229 -2.572 11.047 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.130 -1.241 9.304 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.828 -1.243 8.872 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -8.422 0.196 10.580 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -7.122 -0.328 11.632 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.113 0.670 11.560 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -4.794 2.103 10.578 1.00 0.00 H new ATOM 1257 N GLU A 84 -8.679 -3.888 8.884 1.00 0.00 N ATOM 1258 CA GLU A 84 -8.955 -4.931 7.902 1.00 0.00 C ATOM 1259 C GLU A 84 -9.629 -4.347 6.664 1.00 0.00 C ATOM 1260 O GLU A 84 -10.323 -3.333 6.741 1.00 0.00 O ATOM 1261 CB GLU A 84 -9.841 -6.017 8.515 1.00 0.00 C ATOM 1262 CG GLU A 84 -9.132 -6.862 9.561 1.00 0.00 C ATOM 1263 CD GLU A 84 -9.959 -8.053 10.006 1.00 0.00 C ATOM 1264 OE1 GLU A 84 -10.847 -8.478 9.239 1.00 0.00 O ATOM 1265 OE2 GLU A 84 -9.717 -8.559 11.122 1.00 0.00 O ATOM 0 H GLU A 84 -9.478 -3.294 9.105 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.005 -5.374 7.602 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.714 -5.548 8.969 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.206 -6.668 7.720 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.183 -7.214 9.156 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.899 -6.242 10.427 1.00 0.00 H new ATOM 1272 N PHE A 85 -9.421 -4.996 5.523 1.00 0.00 N ATOM 1273 CA PHE A 85 -10.007 -4.542 4.267 1.00 0.00 C ATOM 1274 C PHE A 85 -10.330 -5.724 3.359 1.00 0.00 C ATOM 1275 O PHE A 85 -9.830 -6.831 3.561 1.00 0.00 O ATOM 1276 CB PHE A 85 -9.054 -3.581 3.553 1.00 0.00 C ATOM 1277 CG PHE A 85 -8.824 -2.299 4.300 1.00 0.00 C ATOM 1278 CD1 PHE A 85 -9.702 -1.236 4.165 1.00 0.00 C ATOM 1279 CD2 PHE A 85 -7.730 -2.156 5.139 1.00 0.00 C ATOM 1280 CE1 PHE A 85 -9.492 -0.054 4.851 1.00 0.00 C ATOM 1281 CE2 PHE A 85 -7.515 -0.978 5.827 1.00 0.00 C ATOM 1282 CZ PHE A 85 -8.398 0.075 5.684 1.00 0.00 C ATOM 0 H PHE A 85 -8.851 -5.838 5.442 1.00 0.00 H new ATOM 0 HA PHE A 85 -10.935 -4.019 4.496 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.097 -4.079 3.399 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.456 -3.350 2.566 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.560 -1.332 3.517 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.037 -2.976 5.256 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.183 0.768 4.735 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.657 -0.880 6.476 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.233 0.997 6.222 1.00 0.00 H new ATOM 1292 N ASP A 86 -11.170 -5.482 2.359 1.00 0.00 N ATOM 1293 CA ASP A 86 -11.561 -6.525 1.418 1.00 0.00 C ATOM 1294 C ASP A 86 -10.337 -7.122 0.729 1.00 0.00 C ATOM 1295 O ASP A 86 -10.309 -8.311 0.411 1.00 0.00 O ATOM 1296 CB ASP A 86 -12.527 -5.964 0.374 1.00 0.00 C ATOM 1297 CG ASP A 86 -13.817 -5.461 0.990 1.00 0.00 C ATOM 1298 OD1 ASP A 86 -13.766 -4.923 2.115 1.00 0.00 O ATOM 1299 OD2 ASP A 86 -14.879 -5.606 0.347 1.00 0.00 O ATOM 0 H ASP A 86 -11.594 -4.572 2.179 1.00 0.00 H new ATOM 0 HA ASP A 86 -12.062 -7.315 1.977 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.043 -5.149 -0.164 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -12.755 -6.738 -0.359 1.00 0.00 H new ATOM 1304 N HIS A 87 -9.328 -6.287 0.500 1.00 0.00 N ATOM 1305 CA HIS A 87 -8.102 -6.732 -0.152 1.00 0.00 C ATOM 1306 C HIS A 87 -7.074 -5.605 -0.204 1.00 0.00 C ATOM 1307 O HIS A 87 -7.293 -4.526 0.347 1.00 0.00 O ATOM 1308 CB HIS A 87 -8.402 -7.229 -1.567 1.00 0.00 C ATOM 1309 CG HIS A 87 -9.527 -6.497 -2.232 1.00 0.00 C ATOM 1310 ND1 HIS A 87 -9.409 -5.208 -2.707 1.00 0.00 N ATOM 1311 CD2 HIS A 87 -10.796 -6.882 -2.503 1.00 0.00 C ATOM 1312 CE1 HIS A 87 -10.558 -4.831 -3.239 1.00 0.00 C ATOM 1313 NE2 HIS A 87 -11.416 -5.828 -3.128 1.00 0.00 N ATOM 0 H HIS A 87 -9.336 -5.300 0.756 1.00 0.00 H new ATOM 0 HA HIS A 87 -7.687 -7.553 0.433 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -7.504 -7.129 -2.176 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -8.644 -8.291 -1.527 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -11.238 -7.840 -2.271 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -10.761 -3.870 -3.688 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -12.383 -5.817 -3.454 1.00 0.00 H new ATOM 1322 N LEU A 88 -5.953 -5.863 -0.869 1.00 0.00 N ATOM 1323 CA LEU A 88 -4.891 -4.871 -0.992 1.00 0.00 C ATOM 1324 C LEU A 88 -5.426 -3.572 -1.587 1.00 0.00 C ATOM 1325 O LEU A 88 -5.346 -2.504 -0.981 1.00 0.00 O ATOM 1326 CB LEU A 88 -3.756 -5.415 -1.862 1.00 0.00 C ATOM 1327 CG LEU A 88 -2.600 -6.083 -1.116 1.00 0.00 C ATOM 1328 CD1 LEU A 88 -1.654 -6.761 -2.095 1.00 0.00 C ATOM 1329 CD2 LEU A 88 -1.853 -5.063 -0.268 1.00 0.00 C ATOM 0 H LEU A 88 -5.756 -6.751 -1.331 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.506 -4.661 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.176 -6.137 -2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.353 -4.593 -2.455 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.011 -6.845 -0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.838 -7.231 -1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.196 -7.520 -2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.249 -6.019 -2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.034 -5.555 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.453 -4.278 -0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.536 -4.624 0.459 1.00 0.00 H new ATOM 1341 N PRO A 89 -5.986 -3.665 -2.802 1.00 0.00 N ATOM 1342 CA PRO A 89 -6.548 -2.508 -3.505 1.00 0.00 C ATOM 1343 C PRO A 89 -7.824 -1.993 -2.848 1.00 0.00 C ATOM 1344 O PRO A 89 -8.632 -1.317 -3.484 1.00 0.00 O ATOM 1345 CB PRO A 89 -6.849 -3.054 -4.903 1.00 0.00 C ATOM 1346 CG PRO A 89 -7.039 -4.518 -4.705 1.00 0.00 C ATOM 1347 CD PRO A 89 -6.116 -4.907 -3.583 1.00 0.00 C ATOM 0 HA PRO A 89 -5.865 -1.659 -3.502 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.742 -2.592 -5.324 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.029 -2.851 -5.592 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.075 -4.747 -4.455 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.801 -5.069 -5.615 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.531 -5.717 -2.983 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.151 -5.250 -3.957 1.00 0.00 H new ATOM 1355 N ALA A 90 -7.999 -2.317 -1.571 1.00 0.00 N ATOM 1356 CA ALA A 90 -9.175 -1.886 -0.827 1.00 0.00 C ATOM 1357 C ALA A 90 -8.783 -1.025 0.369 1.00 0.00 C ATOM 1358 O ALA A 90 -9.504 -0.099 0.743 1.00 0.00 O ATOM 1359 CB ALA A 90 -9.982 -3.092 -0.370 1.00 0.00 C ATOM 0 H ALA A 90 -7.340 -2.877 -1.030 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.792 -1.280 -1.491 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.858 -2.755 0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.302 -3.666 -1.239 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.365 -3.720 0.273 1.00 0.00 H new ATOM 1365 N LEU A 91 -7.638 -1.336 0.966 1.00 0.00 N ATOM 1366 CA LEU A 91 -7.150 -0.590 2.121 1.00 0.00 C ATOM 1367 C LEU A 91 -6.535 0.738 1.692 1.00 0.00 C ATOM 1368 O LEU A 91 -6.769 1.773 2.317 1.00 0.00 O ATOM 1369 CB LEU A 91 -6.118 -1.419 2.889 1.00 0.00 C ATOM 1370 CG LEU A 91 -4.797 -1.683 2.166 1.00 0.00 C ATOM 1371 CD1 LEU A 91 -3.790 -0.586 2.477 1.00 0.00 C ATOM 1372 CD2 LEU A 91 -4.240 -3.045 2.552 1.00 0.00 C ATOM 0 H LEU A 91 -7.030 -2.099 0.670 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.998 -0.382 2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.900 -0.911 3.828 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.568 -2.379 3.143 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.986 -1.681 1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.856 -0.791 1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.186 0.375 2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.605 -0.555 3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.300 -3.215 2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.066 -3.076 3.628 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.954 -3.821 2.278 1.00 0.00 H new ATOM 1384 N LEU A 92 -5.749 0.701 0.621 1.00 0.00 N ATOM 1385 CA LEU A 92 -5.102 1.903 0.106 1.00 0.00 C ATOM 1386 C LEU A 92 -6.135 2.964 -0.258 1.00 0.00 C ATOM 1387 O LEU A 92 -5.972 4.140 0.068 1.00 0.00 O ATOM 1388 CB LEU A 92 -4.250 1.562 -1.118 1.00 0.00 C ATOM 1389 CG LEU A 92 -3.246 0.423 -0.941 1.00 0.00 C ATOM 1390 CD1 LEU A 92 -2.834 -0.141 -2.292 1.00 0.00 C ATOM 1391 CD2 LEU A 92 -2.026 0.902 -0.167 1.00 0.00 C ATOM 0 H LEU A 92 -5.545 -0.147 0.093 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.458 2.304 0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.918 1.306 -1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.705 2.457 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.725 -0.372 -0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.119 -0.951 -2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.714 -0.523 -2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.374 0.646 -2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.322 0.078 -0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.546 1.715 -0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.335 1.257 0.816 1.00 0.00 H new ATOM 1403 N GLU A 93 -7.197 2.541 -0.935 1.00 0.00 N ATOM 1404 CA GLU A 93 -8.257 3.456 -1.342 1.00 0.00 C ATOM 1405 C GLU A 93 -8.928 4.087 -0.126 1.00 0.00 C ATOM 1406 O GLU A 93 -9.338 5.248 -0.162 1.00 0.00 O ATOM 1407 CB GLU A 93 -9.299 2.721 -2.188 1.00 0.00 C ATOM 1408 CG GLU A 93 -10.046 1.637 -1.428 1.00 0.00 C ATOM 1409 CD GLU A 93 -11.256 1.124 -2.183 1.00 0.00 C ATOM 1410 OE1 GLU A 93 -11.182 1.021 -3.426 1.00 0.00 O ATOM 1411 OE2 GLU A 93 -12.278 0.824 -1.531 1.00 0.00 O ATOM 0 H GLU A 93 -7.347 1.571 -1.213 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.807 4.249 -1.940 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.018 3.444 -2.573 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.805 2.273 -3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.369 0.807 -1.227 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.364 2.029 -0.462 1.00 0.00 H new ATOM 1418 N PHE A 94 -9.036 3.315 0.950 1.00 0.00 N ATOM 1419 CA PHE A 94 -9.658 3.797 2.178 1.00 0.00 C ATOM 1420 C PHE A 94 -8.742 4.779 2.902 1.00 0.00 C ATOM 1421 O PHE A 94 -9.207 5.662 3.623 1.00 0.00 O ATOM 1422 CB PHE A 94 -9.997 2.623 3.099 1.00 0.00 C ATOM 1423 CG PHE A 94 -10.909 2.994 4.233 1.00 0.00 C ATOM 1424 CD1 PHE A 94 -12.248 3.263 4.002 1.00 0.00 C ATOM 1425 CD2 PHE A 94 -10.427 3.073 5.529 1.00 0.00 C ATOM 1426 CE1 PHE A 94 -13.090 3.605 5.044 1.00 0.00 C ATOM 1427 CE2 PHE A 94 -11.264 3.415 6.575 1.00 0.00 C ATOM 1428 CZ PHE A 94 -12.597 3.680 6.332 1.00 0.00 C ATOM 0 H PHE A 94 -8.701 2.353 0.997 1.00 0.00 H new ATOM 0 HA PHE A 94 -10.578 4.316 1.910 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -10.465 1.834 2.511 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -9.073 2.212 3.506 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -12.639 3.205 2.997 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -9.385 2.865 5.725 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -14.132 3.813 4.851 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.876 3.475 7.581 1.00 0.00 H new ATOM 0 HZ PHE A 94 -13.253 3.946 7.148 1.00 0.00 H new ATOM 1438 N TYR A 95 -7.438 4.617 2.706 1.00 0.00 N ATOM 1439 CA TYR A 95 -6.456 5.486 3.343 1.00 0.00 C ATOM 1440 C TYR A 95 -6.391 6.840 2.642 1.00 0.00 C ATOM 1441 O TYR A 95 -5.834 7.801 3.172 1.00 0.00 O ATOM 1442 CB TYR A 95 -5.076 4.826 3.331 1.00 0.00 C ATOM 1443 CG TYR A 95 -4.798 3.981 4.554 1.00 0.00 C ATOM 1444 CD1 TYR A 95 -5.044 4.471 5.830 1.00 0.00 C ATOM 1445 CD2 TYR A 95 -4.289 2.694 4.432 1.00 0.00 C ATOM 1446 CE1 TYR A 95 -4.791 3.704 6.951 1.00 0.00 C ATOM 1447 CE2 TYR A 95 -4.035 1.919 5.547 1.00 0.00 C ATOM 1448 CZ TYR A 95 -4.287 2.428 6.804 1.00 0.00 C ATOM 1449 OH TYR A 95 -4.033 1.659 7.917 1.00 0.00 O ATOM 0 H TYR A 95 -7.037 3.892 2.111 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.766 5.646 4.376 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.989 4.202 2.441 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.313 5.600 3.254 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.440 5.469 5.948 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.089 2.293 3.449 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -4.987 4.101 7.936 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.641 0.920 5.435 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.682 0.787 7.639 1.00 0.00 H new ATOM 1459 N LYS A 96 -6.964 6.907 1.445 1.00 0.00 N ATOM 1460 CA LYS A 96 -6.975 8.142 0.669 1.00 0.00 C ATOM 1461 C LYS A 96 -7.568 9.289 1.481 1.00 0.00 C ATOM 1462 O LYS A 96 -7.340 10.460 1.176 1.00 0.00 O ATOM 1463 CB LYS A 96 -7.773 7.950 -0.622 1.00 0.00 C ATOM 1464 CG LYS A 96 -7.054 7.107 -1.662 1.00 0.00 C ATOM 1465 CD LYS A 96 -7.926 6.865 -2.883 1.00 0.00 C ATOM 1466 CE LYS A 96 -7.086 6.593 -4.122 1.00 0.00 C ATOM 1467 NZ LYS A 96 -7.903 6.638 -5.366 1.00 0.00 N ATOM 0 H LYS A 96 -7.427 6.120 0.991 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.945 8.393 0.417 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -8.727 7.481 -0.383 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.996 8.927 -1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.134 7.607 -1.964 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.768 6.151 -1.223 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.587 6.019 -2.697 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.561 7.734 -3.056 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -6.285 7.329 -4.187 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -6.613 5.615 -4.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -7.588 5.889 -6.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.905 6.492 -5.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.787 7.564 -5.824 1.00 0.00 H new ATOM 1481 N ILE A 97 -8.329 8.945 2.514 1.00 0.00 N ATOM 1482 CA ILE A 97 -8.952 9.946 3.370 1.00 0.00 C ATOM 1483 C ILE A 97 -8.395 9.882 4.788 1.00 0.00 C ATOM 1484 O ILE A 97 -8.268 10.903 5.464 1.00 0.00 O ATOM 1485 CB ILE A 97 -10.481 9.769 3.423 1.00 0.00 C ATOM 1486 CG1 ILE A 97 -10.839 8.425 4.060 1.00 0.00 C ATOM 1487 CG2 ILE A 97 -11.075 9.874 2.026 1.00 0.00 C ATOM 1488 CD1 ILE A 97 -12.307 8.287 4.397 1.00 0.00 C ATOM 0 H ILE A 97 -8.529 7.980 2.778 1.00 0.00 H new ATOM 0 HA ILE A 97 -8.722 10.919 2.936 1.00 0.00 H new ATOM 0 HB ILE A 97 -10.903 10.565 4.037 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.554 7.622 3.380 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -10.252 8.296 4.969 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.156 9.747 2.080 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -10.845 10.853 1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -10.650 9.097 1.390 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -12.487 7.310 4.845 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -12.593 9.068 5.102 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -12.900 8.384 3.487 1.00 0.00 H new ATOM 1500 N HIS A 98 -8.062 8.674 5.233 1.00 0.00 N ATOM 1501 CA HIS A 98 -7.516 8.476 6.570 1.00 0.00 C ATOM 1502 C HIS A 98 -6.000 8.650 6.569 1.00 0.00 C ATOM 1503 O HIS A 98 -5.295 8.037 5.766 1.00 0.00 O ATOM 1504 CB HIS A 98 -7.881 7.086 7.092 1.00 0.00 C ATOM 1505 CG HIS A 98 -9.322 6.949 7.475 1.00 0.00 C ATOM 1506 ND1 HIS A 98 -9.923 5.733 7.721 1.00 0.00 N ATOM 1507 CD2 HIS A 98 -10.283 7.885 7.654 1.00 0.00 C ATOM 1508 CE1 HIS A 98 -11.192 5.926 8.034 1.00 0.00 C ATOM 1509 NE2 HIS A 98 -11.436 7.224 8.001 1.00 0.00 N ATOM 0 H HIS A 98 -8.161 7.818 4.687 1.00 0.00 H new ATOM 0 HA HIS A 98 -7.950 9.229 7.228 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -7.645 6.346 6.327 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.260 6.858 7.958 1.00 0.00 H new ATOM 0 HD1 HIS A 98 -9.460 4.826 7.669 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -10.165 8.953 7.544 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -11.908 5.154 8.276 1.00 0.00 H new ATOM 1518 N TYR A 99 -5.505 9.489 7.472 1.00 0.00 N ATOM 1519 CA TYR A 99 -4.073 9.746 7.573 1.00 0.00 C ATOM 1520 C TYR A 99 -3.387 8.681 8.423 1.00 0.00 C ATOM 1521 O TYR A 99 -3.624 8.584 9.628 1.00 0.00 O ATOM 1522 CB TYR A 99 -3.824 11.131 8.172 1.00 0.00 C ATOM 1523 CG TYR A 99 -4.413 12.259 7.355 1.00 0.00 C ATOM 1524 CD1 TYR A 99 -5.786 12.466 7.310 1.00 0.00 C ATOM 1525 CD2 TYR A 99 -3.596 13.116 6.628 1.00 0.00 C ATOM 1526 CE1 TYR A 99 -6.329 13.495 6.564 1.00 0.00 C ATOM 1527 CE2 TYR A 99 -4.130 14.148 5.881 1.00 0.00 C ATOM 1528 CZ TYR A 99 -5.497 14.334 5.852 1.00 0.00 C ATOM 1529 OH TYR A 99 -6.032 15.360 5.108 1.00 0.00 O ATOM 0 H TYR A 99 -6.074 10.003 8.145 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.651 9.710 6.569 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.244 11.164 9.177 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -2.750 11.287 8.270 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -6.440 11.812 7.867 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -2.526 12.973 6.647 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -7.399 13.641 6.539 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -3.481 14.806 5.322 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.310 15.857 4.669 1.00 0.00 H new ATOM 1539 N LEU A 100 -2.535 7.884 7.787 1.00 0.00 N ATOM 1540 CA LEU A 100 -1.813 6.825 8.483 1.00 0.00 C ATOM 1541 C LEU A 100 -1.200 7.346 9.780 1.00 0.00 C ATOM 1542 O LEU A 100 -1.622 6.969 10.873 1.00 0.00 O ATOM 1543 CB LEU A 100 -0.717 6.251 7.583 1.00 0.00 C ATOM 1544 CG LEU A 100 -1.170 5.755 6.209 1.00 0.00 C ATOM 1545 CD1 LEU A 100 -0.013 5.790 5.222 1.00 0.00 C ATOM 1546 CD2 LEU A 100 -1.744 4.350 6.312 1.00 0.00 C ATOM 0 H LEU A 100 -2.327 7.951 6.791 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.523 6.036 8.729 1.00 0.00 H new ATOM 0 HB2 LEU A 100 0.045 7.017 7.438 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.240 5.423 8.107 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.953 6.419 5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.353 5.434 4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.353 6.812 5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.792 5.149 5.582 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.061 4.013 5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.982 3.673 6.699 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.601 4.355 6.986 1.00 0.00 H new ATOM 1558 N ASP A 101 -0.204 8.215 9.650 1.00 0.00 N ATOM 1559 CA ASP A 101 0.465 8.791 10.811 1.00 0.00 C ATOM 1560 C ASP A 101 0.346 10.312 10.808 1.00 0.00 C ATOM 1561 O ASP A 101 -0.307 10.897 11.673 1.00 0.00 O ATOM 1562 CB ASP A 101 1.938 8.382 10.832 1.00 0.00 C ATOM 1563 CG ASP A 101 2.170 7.093 11.596 1.00 0.00 C ATOM 1564 OD1 ASP A 101 1.408 6.821 12.547 1.00 0.00 O ATOM 1565 OD2 ASP A 101 3.114 6.355 11.242 1.00 0.00 O ATOM 0 H ASP A 101 0.158 8.536 8.752 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.023 8.409 11.708 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.294 8.263 9.809 1.00 0.00 H new ATOM 0 HB3 ASP A 101 2.527 9.180 11.284 1.00 0.00 H new ATOM 1570 N THR A 102 0.984 10.948 9.830 1.00 0.00 N ATOM 1571 CA THR A 102 0.952 12.401 9.716 1.00 0.00 C ATOM 1572 C THR A 102 0.554 12.833 8.309 1.00 0.00 C ATOM 1573 O THR A 102 0.344 14.018 8.048 1.00 0.00 O ATOM 1574 CB THR A 102 2.318 13.021 10.064 1.00 0.00 C ATOM 1575 OG1 THR A 102 2.197 14.444 10.168 1.00 0.00 O ATOM 1576 CG2 THR A 102 3.356 12.672 9.008 1.00 0.00 C ATOM 0 H THR A 102 1.529 10.480 9.106 1.00 0.00 H new ATOM 0 HA THR A 102 0.207 12.758 10.427 1.00 0.00 H new ATOM 0 HB THR A 102 2.644 12.613 11.020 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.563 14.768 9.495 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.312 13.121 9.276 1.00 0.00 H new ATOM 0 HG22 THR A 102 3.467 11.589 8.951 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.033 13.055 8.040 1.00 0.00 H new ATOM 1584 N THR A 103 0.450 11.864 7.404 1.00 0.00 N ATOM 1585 CA THR A 103 0.076 12.144 6.024 1.00 0.00 C ATOM 1586 C THR A 103 -0.768 11.016 5.442 1.00 0.00 C ATOM 1587 O THR A 103 -0.912 9.956 6.052 1.00 0.00 O ATOM 1588 CB THR A 103 1.319 12.350 5.137 1.00 0.00 C ATOM 1589 OG1 THR A 103 0.961 13.071 3.952 1.00 0.00 O ATOM 1590 CG2 THR A 103 1.940 11.014 4.756 1.00 0.00 C ATOM 0 H THR A 103 0.620 10.878 7.603 1.00 0.00 H new ATOM 0 HA THR A 103 -0.510 13.063 6.036 1.00 0.00 H new ATOM 0 HB THR A 103 2.052 12.924 5.704 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.757 13.199 3.394 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.816 11.185 4.130 1.00 0.00 H new ATOM 0 HG22 THR A 103 2.238 10.481 5.659 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.212 10.418 4.206 1.00 0.00 H new ATOM 1598 N THR A 104 -1.324 11.249 4.258 1.00 0.00 N ATOM 1599 CA THR A 104 -2.154 10.253 3.594 1.00 0.00 C ATOM 1600 C THR A 104 -1.465 9.702 2.351 1.00 0.00 C ATOM 1601 O THR A 104 -0.327 10.064 2.047 1.00 0.00 O ATOM 1602 CB THR A 104 -3.521 10.838 3.191 1.00 0.00 C ATOM 1603 OG1 THR A 104 -3.348 12.142 2.625 1.00 0.00 O ATOM 1604 CG2 THR A 104 -4.450 10.921 4.393 1.00 0.00 C ATOM 0 H THR A 104 -1.214 12.120 3.739 1.00 0.00 H new ATOM 0 HA THR A 104 -2.309 9.445 4.309 1.00 0.00 H new ATOM 0 HB THR A 104 -3.970 10.177 2.450 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.221 12.506 2.370 1.00 0.00 H new ATOM 0 HG21 THR A 104 -5.409 11.337 4.084 1.00 0.00 H new ATOM 0 HG22 THR A 104 -4.603 9.923 4.804 1.00 0.00 H new ATOM 0 HG23 THR A 104 -4.005 11.562 5.153 1.00 0.00 H new ATOM 1612 N LEU A 105 -2.159 8.825 1.634 1.00 0.00 N ATOM 1613 CA LEU A 105 -1.613 8.224 0.422 1.00 0.00 C ATOM 1614 C LEU A 105 -1.961 9.061 -0.805 1.00 0.00 C ATOM 1615 O LEU A 105 -3.134 9.241 -1.133 1.00 0.00 O ATOM 1616 CB LEU A 105 -2.145 6.801 0.250 1.00 0.00 C ATOM 1617 CG LEU A 105 -1.769 5.806 1.349 1.00 0.00 C ATOM 1618 CD1 LEU A 105 -2.416 4.455 1.090 1.00 0.00 C ATOM 1619 CD2 LEU A 105 -0.256 5.666 1.445 1.00 0.00 C ATOM 0 H LEU A 105 -3.101 8.514 1.871 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.528 8.190 0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.232 6.846 0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.785 6.413 -0.703 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.140 6.186 2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.137 3.760 1.882 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.500 4.568 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.076 4.067 0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.006 4.954 2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.137 5.308 0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.185 6.635 1.679 1.00 0.00 H new ATOM 1631 N ILE A 106 -0.934 9.567 -1.480 1.00 0.00 N ATOM 1632 CA ILE A 106 -1.132 10.382 -2.673 1.00 0.00 C ATOM 1633 C ILE A 106 -1.002 9.542 -3.939 1.00 0.00 C ATOM 1634 O ILE A 106 -1.981 9.321 -4.651 1.00 0.00 O ATOM 1635 CB ILE A 106 -0.123 11.543 -2.734 1.00 0.00 C ATOM 1636 CG1 ILE A 106 -0.120 12.316 -1.414 1.00 0.00 C ATOM 1637 CG2 ILE A 106 -0.453 12.470 -3.895 1.00 0.00 C ATOM 1638 CD1 ILE A 106 -1.495 12.765 -0.973 1.00 0.00 C ATOM 0 H ILE A 106 0.043 9.427 -1.222 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.141 10.791 -2.613 1.00 0.00 H new ATOM 0 HB ILE A 106 0.873 11.131 -2.894 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.315 11.689 -0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.523 13.190 -1.516 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.269 13.286 -3.925 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.409 11.912 -4.830 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.455 12.877 -3.762 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.416 13.306 -0.030 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.925 13.419 -1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.136 11.894 -0.839 1.00 0.00 H new ATOM 1650 N GLU A 107 0.212 9.076 -4.212 1.00 0.00 N ATOM 1651 CA GLU A 107 0.469 8.260 -5.392 1.00 0.00 C ATOM 1652 C GLU A 107 1.658 7.330 -5.163 1.00 0.00 C ATOM 1653 O GLU A 107 2.602 7.655 -4.443 1.00 0.00 O ATOM 1654 CB GLU A 107 0.732 9.151 -6.609 1.00 0.00 C ATOM 1655 CG GLU A 107 1.958 10.037 -6.461 1.00 0.00 C ATOM 1656 CD GLU A 107 2.176 10.936 -7.662 1.00 0.00 C ATOM 1657 OE1 GLU A 107 2.626 10.428 -8.710 1.00 0.00 O ATOM 1658 OE2 GLU A 107 1.896 12.148 -7.553 1.00 0.00 O ATOM 0 H GLU A 107 1.033 9.250 -3.632 1.00 0.00 H new ATOM 0 HA GLU A 107 -0.415 7.651 -5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.853 8.521 -7.490 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.141 9.780 -6.784 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.852 10.651 -5.567 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.839 9.411 -6.316 1.00 0.00 H new ATOM 1665 N PRO A 108 1.611 6.145 -5.790 1.00 0.00 N ATOM 1666 CA PRO A 108 2.675 5.144 -5.670 1.00 0.00 C ATOM 1667 C PRO A 108 3.958 5.575 -6.371 1.00 0.00 C ATOM 1668 O PRO A 108 3.922 6.103 -7.482 1.00 0.00 O ATOM 1669 CB PRO A 108 2.080 3.911 -6.354 1.00 0.00 C ATOM 1670 CG PRO A 108 1.076 4.456 -7.311 1.00 0.00 C ATOM 1671 CD PRO A 108 0.516 5.692 -6.664 1.00 0.00 C ATOM 0 HA PRO A 108 2.962 4.976 -4.632 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.848 3.336 -6.871 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.614 3.243 -5.630 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.539 4.693 -8.269 1.00 0.00 H new ATOM 0 HG3 PRO A 108 0.289 3.728 -7.508 1.00 0.00 H new ATOM 0 HD2 PRO A 108 0.253 6.448 -7.403 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -0.388 5.474 -6.095 1.00 0.00 H new ATOM 1679 N ALA A 109 5.091 5.346 -5.716 1.00 0.00 N ATOM 1680 CA ALA A 109 6.386 5.708 -6.278 1.00 0.00 C ATOM 1681 C ALA A 109 6.492 5.275 -7.736 1.00 0.00 C ATOM 1682 O ALA A 109 5.871 4.303 -8.167 1.00 0.00 O ATOM 1683 CB ALA A 109 7.509 5.090 -5.459 1.00 0.00 C ATOM 0 H ALA A 109 5.138 4.911 -4.795 1.00 0.00 H new ATOM 0 HA ALA A 109 6.479 6.793 -6.241 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.470 5.369 -5.891 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.453 5.453 -4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.410 4.005 -5.466 1.00 0.00 H new ATOM 1689 N PRO A 110 7.297 6.011 -8.516 1.00 0.00 N ATOM 1690 CA PRO A 110 7.503 5.722 -9.938 1.00 0.00 C ATOM 1691 C PRO A 110 8.299 4.440 -10.160 1.00 0.00 C ATOM 1692 O PRO A 110 9.160 4.086 -9.354 1.00 0.00 O ATOM 1693 CB PRO A 110 8.293 6.935 -10.437 1.00 0.00 C ATOM 1694 CG PRO A 110 8.989 7.456 -9.227 1.00 0.00 C ATOM 1695 CD PRO A 110 8.068 7.184 -8.070 1.00 0.00 C ATOM 0 HA PRO A 110 6.560 5.566 -10.462 1.00 0.00 H new ATOM 0 HB2 PRO A 110 9.005 6.652 -11.213 1.00 0.00 H new ATOM 0 HB3 PRO A 110 7.633 7.687 -10.869 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.950 6.961 -9.086 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.191 8.523 -9.322 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.623 6.976 -7.155 1.00 0.00 H new ATOM 0 HD3 PRO A 110 7.420 8.036 -7.863 1.00 0.00 H new