USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 749 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 Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot -105:sc= -0.815! USER MOD Single : A 17 SER OG : rot -92:sc= 0.76 USER MOD Single : A 18 ASN : amide:sc= -0.0575 X(o=-0.058,f=-0.31) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.153 K(o=-0.15,f=-1.6!) USER MOD Single : A 41 MET CE :methyl 129:sc=-0.00588 (180deg=-0.163) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot -170:sc= 0.104 USER MOD Single : A 46 THR OG1 : rot -70:sc= 1.12 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.195 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0626 X(o=-0.063,f=-0.052) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 33:sc=0.000322 USER MOD Single : A 77 SER OG : rot 180:sc= -0.569 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -51:sc= 0.205 USER MOD Single : A 88 LYS NZ :NH3+ -117:sc= -1.36 (180deg=-2.77!) USER MOD Single : A 97 ASN : amide:sc= -0.0707 X(o=-0.071,f=-0.16) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -162:sc= -1.99 USER MOD Single : A 101 SER OG : rot 180:sc= 0.0373 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl -165:sc= -0.0315 (180deg=-0.362) USER MOD Single : A 110 TYR OH : rot 180:sc= -0.0331 USER MOD Single : A 111 SER OG : rot -83:sc= 0.845 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N ARG A 7 -9.999 8.329 1.740 1.00 0.40 N ATOM 93 CA ARG A 7 -10.922 7.209 1.609 1.00 33.32 C ATOM 94 C ARG A 7 -10.198 5.963 1.108 1.00 62.04 C ATOM 95 O ARG A 7 -10.324 4.884 1.686 1.00 35.33 O ATOM 96 CB ARG A 7 -12.062 7.568 0.654 1.00 10.11 C ATOM 97 CG ARG A 7 -13.217 8.291 1.328 1.00 24.04 C ATOM 98 CD ARG A 7 -14.541 7.590 1.068 1.00 42.31 C ATOM 99 NE ARG A 7 -15.674 8.505 1.173 1.00 52.33 N ATOM 100 CZ ARG A 7 -16.028 9.350 0.211 1.00 41.33 C ATOM 101 NH1 ARG A 7 -15.340 9.396 -0.922 1.00 74.10 N ATOM 102 NH2 ARG A 7 -17.072 10.152 0.381 1.00 63.34 N ATOM 0 HA ARG A 7 -11.336 6.996 2.594 1.00 33.32 H new ATOM 0 HB2 ARG A 7 -11.670 8.195 -0.147 1.00 10.11 H new ATOM 0 HB3 ARG A 7 -12.437 6.656 0.190 1.00 10.11 H new ATOM 0 HG2 ARG A 7 -13.037 8.345 2.402 1.00 24.04 H new ATOM 0 HG3 ARG A 7 -13.269 9.316 0.962 1.00 24.04 H new ATOM 0 HD2 ARG A 7 -14.526 7.144 0.073 1.00 42.31 H new ATOM 0 HD3 ARG A 7 -14.666 6.775 1.781 1.00 42.31 H new ATOM 0 HE ARG A 7 -16.224 8.495 2.032 1.00 52.33 H new ATOM 0 HH11 ARG A 7 -14.537 8.782 -1.056 1.00 74.10 H new ATOM 0 HH12 ARG A 7 -15.614 10.046 -1.659 1.00 74.10 H new ATOM 0 HH21 ARG A 7 -17.603 10.120 1.251 1.00 63.34 H new ATOM 0 HH22 ARG A 7 -17.343 10.800 -0.358 1.00 63.34 H new ATOM 116 N ASP A 8 -9.439 6.120 0.028 1.00 13.55 N ATOM 117 CA ASP A 8 -8.694 5.009 -0.551 1.00 40.11 C ATOM 118 C ASP A 8 -7.757 4.387 0.479 1.00 4.35 C ATOM 119 O ASP A 8 -7.519 3.179 0.468 1.00 55.40 O ATOM 120 CB ASP A 8 -7.895 5.482 -1.766 1.00 65.23 C ATOM 121 CG ASP A 8 -8.772 6.126 -2.821 1.00 42.53 C ATOM 122 OD1 ASP A 8 -9.847 5.566 -3.122 1.00 4.53 O ATOM 123 OD2 ASP A 8 -8.383 7.191 -3.347 1.00 72.43 O ATOM 0 H ASP A 8 -9.324 7.006 -0.464 1.00 13.55 H new ATOM 0 HA ASP A 8 -9.409 4.250 -0.869 1.00 40.11 H new ATOM 0 HB2 ASP A 8 -7.137 6.195 -1.443 1.00 65.23 H new ATOM 0 HB3 ASP A 8 -7.369 4.634 -2.204 1.00 65.23 H new ATOM 128 N TRP A 9 -7.227 5.220 1.368 1.00 45.24 N ATOM 129 CA TRP A 9 -6.314 4.752 2.404 1.00 22.05 C ATOM 130 C TRP A 9 -7.063 3.963 3.473 1.00 5.10 C ATOM 131 O TRP A 9 -6.785 2.785 3.698 1.00 3.14 O ATOM 132 CB TRP A 9 -5.585 5.935 3.043 1.00 1.24 C ATOM 133 CG TRP A 9 -4.606 5.528 4.103 1.00 70.02 C ATOM 134 CD1 TRP A 9 -4.858 5.377 5.437 1.00 64.34 C ATOM 135 CD2 TRP A 9 -3.220 5.222 3.917 1.00 42.13 C ATOM 136 NE1 TRP A 9 -3.711 4.995 6.091 1.00 51.21 N ATOM 137 CE2 TRP A 9 -2.693 4.893 5.181 1.00 64.43 C ATOM 138 CE3 TRP A 9 -2.373 5.192 2.805 1.00 12.54 C ATOM 139 CZ2 TRP A 9 -1.358 4.540 5.361 1.00 22.12 C ATOM 140 CZ3 TRP A 9 -1.049 4.843 2.986 1.00 24.52 C ATOM 141 CH2 TRP A 9 -0.551 4.519 4.256 1.00 55.22 C ATOM 0 H TRP A 9 -7.414 6.222 1.392 1.00 45.24 H new ATOM 0 HA TRP A 9 -5.582 4.093 1.938 1.00 22.05 H new ATOM 0 HB2 TRP A 9 -5.059 6.490 2.267 1.00 1.24 H new ATOM 0 HB3 TRP A 9 -6.319 6.613 3.478 1.00 1.24 H new ATOM 0 HD1 TRP A 9 -5.817 5.535 5.908 1.00 64.34 H new ATOM 0 HE1 TRP A 9 -3.631 4.816 7.092 1.00 51.21 H new ATOM 0 HE3 TRP A 9 -2.747 5.437 1.822 1.00 12.54 H new ATOM 0 HZ2 TRP A 9 -0.973 4.291 6.339 1.00 22.12 H new ATOM 0 HZ3 TRP A 9 -0.386 4.819 2.134 1.00 24.52 H new ATOM 0 HH2 TRP A 9 0.489 4.248 4.364 1.00 55.22 H new ATOM 152 N LYS A 10 -8.014 4.619 4.129 1.00 43.20 N ATOM 153 CA LYS A 10 -8.804 3.979 5.173 1.00 14.05 C ATOM 154 C LYS A 10 -9.406 2.669 4.675 1.00 53.24 C ATOM 155 O LYS A 10 -9.616 1.737 5.450 1.00 30.10 O ATOM 156 CB LYS A 10 -9.918 4.917 5.646 1.00 24.20 C ATOM 157 CG LYS A 10 -10.254 4.768 7.120 1.00 65.02 C ATOM 158 CD LYS A 10 -10.359 6.119 7.807 1.00 50.11 C ATOM 159 CE LYS A 10 -9.080 6.466 8.553 1.00 1.31 C ATOM 160 NZ LYS A 10 -8.647 7.866 8.290 1.00 43.54 N ATOM 0 H LYS A 10 -8.256 5.595 3.956 1.00 43.20 H new ATOM 0 HA LYS A 10 -8.142 3.759 6.011 1.00 14.05 H new ATOM 0 HB2 LYS A 10 -9.620 5.948 5.452 1.00 24.20 H new ATOM 0 HB3 LYS A 10 -10.815 4.728 5.057 1.00 24.20 H new ATOM 0 HG2 LYS A 10 -11.196 4.230 7.227 1.00 65.02 H new ATOM 0 HG3 LYS A 10 -9.487 4.168 7.610 1.00 65.02 H new ATOM 0 HD2 LYS A 10 -10.570 6.890 7.066 1.00 50.11 H new ATOM 0 HD3 LYS A 10 -11.197 6.110 8.504 1.00 50.11 H new ATOM 0 HE2 LYS A 10 -9.235 6.329 9.623 1.00 1.31 H new ATOM 0 HE3 LYS A 10 -8.288 5.779 8.255 1.00 1.31 H new ATOM 0 HZ1 LYS A 10 -7.772 8.063 8.816 1.00 43.54 H new ATOM 0 HZ2 LYS A 10 -8.474 7.991 7.272 1.00 43.54 H new ATOM 0 HZ3 LYS A 10 -9.392 8.523 8.598 1.00 43.54 H new ATOM 174 N MET A 11 -9.680 2.606 3.376 1.00 73.03 N ATOM 175 CA MET A 11 -10.255 1.409 2.774 1.00 74.41 C ATOM 176 C MET A 11 -9.216 0.297 2.675 1.00 63.14 C ATOM 177 O MET A 11 -9.439 -0.818 3.145 1.00 70.23 O ATOM 178 CB MET A 11 -10.813 1.727 1.385 1.00 4.21 C ATOM 179 CG MET A 11 -11.975 0.837 0.978 1.00 75.10 C ATOM 180 SD MET A 11 -13.573 1.510 1.474 1.00 2.42 S ATOM 181 CE MET A 11 -14.657 0.720 0.288 1.00 61.42 C ATOM 0 H MET A 11 -9.513 3.369 2.721 1.00 73.03 H new ATOM 0 HA MET A 11 -11.068 1.066 3.414 1.00 74.41 H new ATOM 0 HB2 MET A 11 -11.138 2.767 1.363 1.00 4.21 H new ATOM 0 HB3 MET A 11 -10.014 1.626 0.650 1.00 4.21 H new ATOM 0 HG2 MET A 11 -11.962 0.701 -0.103 1.00 75.10 H new ATOM 0 HG3 MET A 11 -11.846 -0.149 1.424 1.00 75.10 H new ATOM 0 HE1 MET A 11 -15.684 1.038 0.466 1.00 61.42 H new ATOM 0 HE2 MET A 11 -14.360 1.003 -0.722 1.00 61.42 H new ATOM 0 HE3 MET A 11 -14.588 -0.362 0.396 1.00 61.42 H new ATOM 191 N ALA A 12 -8.079 0.609 2.060 1.00 75.33 N ATOM 192 CA ALA A 12 -7.005 -0.364 1.901 1.00 53.43 C ATOM 193 C ALA A 12 -6.631 -0.992 3.239 1.00 73.33 C ATOM 194 O ALA A 12 -6.194 -2.142 3.294 1.00 20.11 O ATOM 195 CB ALA A 12 -5.789 0.293 1.266 1.00 44.25 C ATOM 0 H ALA A 12 -7.878 1.527 1.664 1.00 75.33 H new ATOM 0 HA ALA A 12 -7.361 -1.158 1.244 1.00 53.43 H new ATOM 0 HB1 ALA A 12 -4.994 -0.445 1.153 1.00 44.25 H new ATOM 0 HB2 ALA A 12 -6.059 0.689 0.287 1.00 44.25 H new ATOM 0 HB3 ALA A 12 -5.441 1.107 1.903 1.00 44.25 H new ATOM 201 N ILE A 13 -6.805 -0.231 4.314 1.00 72.21 N ATOM 202 CA ILE A 13 -6.486 -0.715 5.651 1.00 11.13 C ATOM 203 C ILE A 13 -7.588 -1.625 6.184 1.00 4.33 C ATOM 204 O ILE A 13 -7.317 -2.711 6.697 1.00 75.23 O ATOM 205 CB ILE A 13 -6.277 0.450 6.636 1.00 2.43 C ATOM 206 CG1 ILE A 13 -5.144 1.358 6.153 1.00 51.30 C ATOM 207 CG2 ILE A 13 -5.979 -0.081 8.030 1.00 24.42 C ATOM 208 CD1 ILE A 13 -3.794 0.677 6.123 1.00 31.45 C ATOM 0 H ILE A 13 -7.165 0.723 4.285 1.00 72.21 H new ATOM 0 HA ILE A 13 -5.558 -1.282 5.569 1.00 11.13 H new ATOM 0 HB ILE A 13 -7.194 1.037 6.681 1.00 2.43 H new ATOM 0 HG12 ILE A 13 -5.381 1.720 5.153 1.00 51.30 H new ATOM 0 HG13 ILE A 13 -5.087 2.231 6.803 1.00 51.30 H new ATOM 0 HG21 ILE A 13 -5.834 0.755 8.714 1.00 24.42 H new ATOM 0 HG22 ILE A 13 -6.815 -0.690 8.374 1.00 24.42 H new ATOM 0 HG23 ILE A 13 -5.074 -0.689 8.002 1.00 24.42 H new ATOM 0 HD11 ILE A 13 -3.039 1.380 5.771 1.00 31.45 H new ATOM 0 HD12 ILE A 13 -3.535 0.339 7.126 1.00 31.45 H new ATOM 0 HD13 ILE A 13 -3.834 -0.180 5.450 1.00 31.45 H new ATOM 220 N LYS A 14 -8.831 -1.175 6.059 1.00 55.34 N ATOM 221 CA LYS A 14 -9.976 -1.948 6.524 1.00 33.52 C ATOM 222 C LYS A 14 -9.939 -3.367 5.964 1.00 44.30 C ATOM 223 O LYS A 14 -10.335 -4.320 6.635 1.00 50.22 O ATOM 224 CB LYS A 14 -11.282 -1.262 6.116 1.00 22.02 C ATOM 225 CG LYS A 14 -12.065 -0.698 7.289 1.00 20.42 C ATOM 226 CD LYS A 14 -13.456 -1.304 7.374 1.00 61.33 C ATOM 227 CE LYS A 14 -14.378 -0.464 8.243 1.00 12.33 C ATOM 228 NZ LYS A 14 -15.339 -1.306 9.009 1.00 44.31 N ATOM 0 H LYS A 14 -9.072 -0.277 5.639 1.00 55.34 H new ATOM 0 HA LYS A 14 -9.926 -2.003 7.611 1.00 33.52 H new ATOM 0 HB2 LYS A 14 -11.056 -0.455 5.419 1.00 22.02 H new ATOM 0 HB3 LYS A 14 -11.908 -1.978 5.583 1.00 22.02 H new ATOM 0 HG2 LYS A 14 -11.525 -0.893 8.216 1.00 20.42 H new ATOM 0 HG3 LYS A 14 -12.144 0.384 7.188 1.00 20.42 H new ATOM 0 HD2 LYS A 14 -13.878 -1.391 6.373 1.00 61.33 H new ATOM 0 HD3 LYS A 14 -13.390 -2.313 7.781 1.00 61.33 H new ATOM 0 HE2 LYS A 14 -13.782 0.129 8.937 1.00 12.33 H new ATOM 0 HE3 LYS A 14 -14.929 0.237 7.616 1.00 12.33 H new ATOM 0 HZ1 LYS A 14 -15.950 -0.696 9.589 1.00 44.31 H new ATOM 0 HZ2 LYS A 14 -15.925 -1.853 8.347 1.00 44.31 H new ATOM 0 HZ3 LYS A 14 -14.814 -1.958 9.627 1.00 44.31 H new ATOM 242 N ARG A 15 -9.458 -3.499 4.732 1.00 55.32 N ATOM 243 CA ARG A 15 -9.369 -4.801 4.082 1.00 0.12 C ATOM 244 C ARG A 15 -8.138 -5.564 4.562 1.00 32.42 C ATOM 245 O ARG A 15 -8.227 -6.736 4.933 1.00 55.50 O ATOM 246 CB ARG A 15 -9.318 -4.634 2.562 1.00 12.04 C ATOM 247 CG ARG A 15 -10.523 -5.220 1.845 1.00 52.13 C ATOM 248 CD ARG A 15 -10.249 -5.411 0.361 1.00 14.12 C ATOM 249 NE ARG A 15 -11.324 -6.143 -0.304 1.00 0.11 N ATOM 250 CZ ARG A 15 -12.484 -5.594 -0.648 1.00 22.13 C ATOM 251 NH1 ARG A 15 -12.718 -4.315 -0.391 1.00 5.52 N ATOM 252 NH2 ARG A 15 -13.413 -6.326 -1.250 1.00 44.42 N ATOM 0 H ARG A 15 -9.124 -2.720 4.164 1.00 55.32 H new ATOM 0 HA ARG A 15 -10.258 -5.374 4.348 1.00 0.12 H new ATOM 0 HB2 ARG A 15 -9.244 -3.573 2.324 1.00 12.04 H new ATOM 0 HB3 ARG A 15 -8.413 -5.109 2.183 1.00 12.04 H new ATOM 0 HG2 ARG A 15 -10.785 -6.178 2.294 1.00 52.13 H new ATOM 0 HG3 ARG A 15 -11.382 -4.561 1.976 1.00 52.13 H new ATOM 0 HD2 ARG A 15 -10.126 -4.437 -0.113 1.00 14.12 H new ATOM 0 HD3 ARG A 15 -9.310 -5.949 0.232 1.00 14.12 H new ATOM 0 HE ARG A 15 -11.176 -7.130 -0.516 1.00 0.11 H new ATOM 0 HH11 ARG A 15 -12.007 -3.749 0.072 1.00 5.52 H new ATOM 0 HH12 ARG A 15 -13.609 -3.896 -0.656 1.00 5.52 H new ATOM 0 HH21 ARG A 15 -13.237 -7.311 -1.449 1.00 44.42 H new ATOM 0 HH22 ARG A 15 -14.303 -5.904 -1.514 1.00 44.42 H new ATOM 266 N CYS A 16 -6.991 -4.894 4.552 1.00 74.12 N ATOM 267 CA CYS A 16 -5.742 -5.510 4.985 1.00 40.23 C ATOM 268 C CYS A 16 -5.874 -6.073 6.396 1.00 42.00 C ATOM 269 O CYS A 16 -5.171 -7.013 6.768 1.00 14.22 O ATOM 270 CB CYS A 16 -4.603 -4.491 4.934 1.00 43.24 C ATOM 271 SG CYS A 16 -2.980 -5.214 4.595 1.00 54.23 S ATOM 0 H CYS A 16 -6.900 -3.924 4.249 1.00 74.12 H new ATOM 0 HA CYS A 16 -5.516 -6.332 4.305 1.00 40.23 H new ATOM 0 HB2 CYS A 16 -4.827 -3.750 4.166 1.00 43.24 H new ATOM 0 HB3 CYS A 16 -4.561 -3.961 5.886 1.00 43.24 H new ATOM 0 HG CYS A 16 -2.279 -5.240 5.690 1.00 54.23 H new ATOM 277 N SER A 17 -6.777 -5.491 7.178 1.00 55.11 N ATOM 278 CA SER A 17 -6.998 -5.931 8.551 1.00 63.05 C ATOM 279 C SER A 17 -7.472 -7.381 8.587 1.00 53.53 C ATOM 280 O SER A 17 -7.396 -8.044 9.620 1.00 70.34 O ATOM 281 CB SER A 17 -8.024 -5.029 9.239 1.00 22.22 C ATOM 282 OG SER A 17 -9.339 -5.529 9.068 1.00 25.43 O ATOM 0 H SER A 17 -7.368 -4.713 6.884 1.00 55.11 H new ATOM 0 HA SER A 17 -6.050 -5.864 9.085 1.00 63.05 H new ATOM 0 HB2 SER A 17 -7.794 -4.957 10.302 1.00 22.22 H new ATOM 0 HB3 SER A 17 -7.959 -4.021 8.830 1.00 22.22 H new ATOM 0 HG SER A 17 -9.742 -5.125 8.271 1.00 25.43 H new ATOM 288 N ASN A 18 -7.963 -7.865 7.450 1.00 4.51 N ATOM 289 CA ASN A 18 -8.451 -9.235 7.351 1.00 63.23 C ATOM 290 C ASN A 18 -7.366 -10.161 6.807 1.00 15.30 C ATOM 291 O ASN A 18 -7.661 -11.196 6.209 1.00 0.13 O ATOM 292 CB ASN A 18 -9.686 -9.295 6.450 1.00 13.42 C ATOM 293 CG ASN A 18 -10.897 -9.861 7.166 1.00 11.25 C ATOM 294 OD1 ASN A 18 -10.782 -10.794 7.962 1.00 42.43 O ATOM 295 ND2 ASN A 18 -12.067 -9.298 6.887 1.00 43.34 N ATOM 0 H ASN A 18 -8.033 -7.329 6.585 1.00 4.51 H new ATOM 0 HA ASN A 18 -8.723 -9.570 8.352 1.00 63.23 H new ATOM 0 HB2 ASN A 18 -9.917 -8.293 6.088 1.00 13.42 H new ATOM 0 HB3 ASN A 18 -9.465 -9.907 5.576 1.00 13.42 H new ATOM 0 HD21 ASN A 18 -12.917 -9.636 7.339 1.00 43.34 H new ATOM 0 HD22 ASN A 18 -12.116 -8.527 6.221 1.00 43.34 H new ATOM 302 N VAL A 19 -6.110 -9.781 7.019 1.00 15.43 N ATOM 303 CA VAL A 19 -4.982 -10.576 6.553 1.00 64.55 C ATOM 304 C VAL A 19 -4.288 -11.281 7.713 1.00 13.44 C ATOM 305 O VAL A 19 -4.145 -10.717 8.798 1.00 34.42 O ATOM 306 CB VAL A 19 -3.953 -9.707 5.806 1.00 63.25 C ATOM 307 CG1 VAL A 19 -2.807 -10.563 5.287 1.00 41.31 C ATOM 308 CG2 VAL A 19 -4.621 -8.950 4.668 1.00 72.42 C ATOM 0 H VAL A 19 -5.849 -8.927 7.511 1.00 15.43 H new ATOM 0 HA VAL A 19 -5.384 -11.322 5.867 1.00 64.55 H new ATOM 0 HB VAL A 19 -3.543 -8.978 6.505 1.00 63.25 H new ATOM 0 HG11 VAL A 19 -2.090 -9.932 4.762 1.00 41.31 H new ATOM 0 HG12 VAL A 19 -2.312 -11.055 6.124 1.00 41.31 H new ATOM 0 HG13 VAL A 19 -3.197 -11.316 4.602 1.00 41.31 H new ATOM 0 HG21 VAL A 19 -3.879 -8.341 4.151 1.00 72.42 H new ATOM 0 HG22 VAL A 19 -5.060 -9.660 3.967 1.00 72.42 H new ATOM 0 HG23 VAL A 19 -5.403 -8.306 5.069 1.00 72.42 H new ATOM 318 N ALA A 20 -3.859 -12.516 7.477 1.00 3.15 N ATOM 319 CA ALA A 20 -3.178 -13.297 8.503 1.00 44.23 C ATOM 320 C ALA A 20 -1.668 -13.096 8.433 1.00 64.11 C ATOM 321 O ALA A 20 -1.120 -12.793 7.373 1.00 43.01 O ATOM 322 CB ALA A 20 -3.523 -14.772 8.359 1.00 12.43 C ATOM 0 H ALA A 20 -3.971 -12.998 6.585 1.00 3.15 H new ATOM 0 HA ALA A 20 -3.520 -12.948 9.477 1.00 44.23 H new ATOM 0 HB1 ALA A 20 -3.008 -15.343 9.131 1.00 12.43 H new ATOM 0 HB2 ALA A 20 -4.599 -14.906 8.466 1.00 12.43 H new ATOM 0 HB3 ALA A 20 -3.209 -15.125 7.377 1.00 12.43 H new ATOM 328 N VAL A 21 -0.999 -13.266 9.569 1.00 34.44 N ATOM 329 CA VAL A 21 0.448 -13.104 9.637 1.00 70.31 C ATOM 330 C VAL A 21 1.163 -14.407 9.297 1.00 43.12 C ATOM 331 O VAL A 21 2.058 -14.434 8.453 1.00 41.01 O ATOM 332 CB VAL A 21 0.896 -12.635 11.034 1.00 34.20 C ATOM 333 CG1 VAL A 21 2.381 -12.305 11.036 1.00 35.44 C ATOM 334 CG2 VAL A 21 0.074 -11.436 11.481 1.00 10.34 C ATOM 0 H VAL A 21 -1.437 -13.516 10.456 1.00 34.44 H new ATOM 0 HA VAL A 21 0.716 -12.343 8.904 1.00 70.31 H new ATOM 0 HB VAL A 21 0.728 -13.446 11.742 1.00 34.20 H new ATOM 0 HG11 VAL A 21 2.679 -11.975 12.031 1.00 35.44 H new ATOM 0 HG12 VAL A 21 2.951 -13.192 10.762 1.00 35.44 H new ATOM 0 HG13 VAL A 21 2.578 -11.510 10.317 1.00 35.44 H new ATOM 0 HG21 VAL A 21 0.403 -11.117 12.470 1.00 10.34 H new ATOM 0 HG22 VAL A 21 0.208 -10.618 10.773 1.00 10.34 H new ATOM 0 HG23 VAL A 21 -0.980 -11.712 11.521 1.00 10.34 H new ATOM 344 N GLY A 22 0.762 -15.487 9.960 1.00 32.12 N ATOM 345 CA GLY A 22 1.375 -16.779 9.714 1.00 33.21 C ATOM 346 C GLY A 22 0.663 -17.561 8.628 1.00 61.11 C ATOM 347 O GLY A 22 -0.368 -17.127 8.114 1.00 11.13 O ATOM 0 H GLY A 22 0.023 -15.490 10.663 1.00 32.12 H new ATOM 0 HA2 GLY A 22 2.417 -16.635 9.430 1.00 33.21 H new ATOM 0 HA3 GLY A 22 1.373 -17.360 10.636 1.00 33.21 H new ATOM 351 N VAL A 23 1.215 -18.718 8.275 1.00 1.20 N ATOM 352 CA VAL A 23 0.627 -19.562 7.242 1.00 12.01 C ATOM 353 C VAL A 23 0.221 -20.919 7.807 1.00 52.25 C ATOM 354 O VAL A 23 -0.726 -21.543 7.330 1.00 15.33 O ATOM 355 CB VAL A 23 1.603 -19.777 6.070 1.00 74.01 C ATOM 356 CG1 VAL A 23 2.844 -20.521 6.538 1.00 70.01 C ATOM 357 CG2 VAL A 23 0.917 -20.526 4.937 1.00 22.43 C ATOM 0 H VAL A 23 2.069 -19.092 8.690 1.00 1.20 H new ATOM 0 HA VAL A 23 -0.259 -19.044 6.876 1.00 12.01 H new ATOM 0 HB VAL A 23 1.914 -18.802 5.695 1.00 74.01 H new ATOM 0 HG11 VAL A 23 3.522 -20.664 5.696 1.00 70.01 H new ATOM 0 HG12 VAL A 23 3.345 -19.941 7.313 1.00 70.01 H new ATOM 0 HG13 VAL A 23 2.556 -21.492 6.940 1.00 70.01 H new ATOM 0 HG21 VAL A 23 1.621 -20.669 4.117 1.00 22.43 H new ATOM 0 HG22 VAL A 23 0.576 -21.497 5.297 1.00 22.43 H new ATOM 0 HG23 VAL A 23 0.062 -19.949 4.585 1.00 22.43 H new ATOM 436 N LYS A 29 -4.281 -11.677 12.928 1.00 25.42 N ATOM 437 CA LYS A 29 -4.246 -10.821 11.748 1.00 33.25 C ATOM 438 C LYS A 29 -3.527 -9.510 12.048 1.00 23.14 C ATOM 439 O LYS A 29 -3.319 -9.156 13.209 1.00 12.22 O ATOM 440 CB LYS A 29 -5.668 -10.535 11.259 1.00 1.35 C ATOM 441 CG LYS A 29 -6.445 -11.784 10.882 1.00 24.20 C ATOM 442 CD LYS A 29 -7.885 -11.712 11.362 1.00 44.12 C ATOM 443 CE LYS A 29 -8.686 -12.920 10.902 1.00 15.14 C ATOM 444 NZ LYS A 29 -8.597 -14.046 11.872 1.00 34.34 N ATOM 0 HA LYS A 29 -3.697 -11.345 10.965 1.00 33.25 H new ATOM 0 HB2 LYS A 29 -6.211 -10.001 12.039 1.00 1.35 H new ATOM 0 HB3 LYS A 29 -5.619 -9.873 10.395 1.00 1.35 H new ATOM 0 HG2 LYS A 29 -6.427 -11.911 9.800 1.00 24.20 H new ATOM 0 HG3 LYS A 29 -5.960 -12.659 11.314 1.00 24.20 H new ATOM 0 HD2 LYS A 29 -7.905 -11.654 12.450 1.00 44.12 H new ATOM 0 HD3 LYS A 29 -8.350 -10.801 10.986 1.00 44.12 H new ATOM 0 HE2 LYS A 29 -9.730 -12.635 10.771 1.00 15.14 H new ATOM 0 HE3 LYS A 29 -8.321 -13.249 9.929 1.00 15.14 H new ATOM 0 HZ1 LYS A 29 -9.156 -14.850 11.523 1.00 34.34 H new ATOM 0 HZ2 LYS A 29 -7.604 -14.335 11.978 1.00 34.34 H new ATOM 0 HZ3 LYS A 29 -8.969 -13.740 12.794 1.00 34.34 H new ATOM 458 N PHE A 30 -3.150 -8.793 10.995 1.00 25.01 N ATOM 459 CA PHE A 30 -2.454 -7.520 11.146 1.00 24.52 C ATOM 460 C PHE A 30 -3.437 -6.397 11.459 1.00 50.51 C ATOM 461 O PHE A 30 -4.632 -6.633 11.634 1.00 43.25 O ATOM 462 CB PHE A 30 -1.671 -7.189 9.874 1.00 24.01 C ATOM 463 CG PHE A 30 -0.504 -8.103 9.633 1.00 24.41 C ATOM 464 CD1 PHE A 30 0.589 -8.093 10.485 1.00 32.34 C ATOM 465 CD2 PHE A 30 -0.499 -8.973 8.555 1.00 72.32 C ATOM 466 CE1 PHE A 30 1.664 -8.933 10.265 1.00 22.14 C ATOM 467 CE2 PHE A 30 0.573 -9.816 8.330 1.00 43.21 C ATOM 468 CZ PHE A 30 1.656 -9.796 9.187 1.00 31.31 C ATOM 0 H PHE A 30 -3.315 -9.071 10.028 1.00 25.01 H new ATOM 0 HA PHE A 30 -1.757 -7.611 11.979 1.00 24.52 H new ATOM 0 HB2 PHE A 30 -2.345 -7.240 9.019 1.00 24.01 H new ATOM 0 HB3 PHE A 30 -1.311 -6.162 9.935 1.00 24.01 H new ATOM 0 HD1 PHE A 30 0.601 -7.421 11.330 1.00 32.34 H new ATOM 0 HD2 PHE A 30 -1.343 -8.993 7.882 1.00 72.32 H new ATOM 0 HE1 PHE A 30 2.510 -8.915 10.936 1.00 22.14 H new ATOM 0 HE2 PHE A 30 0.564 -10.489 7.486 1.00 43.21 H new ATOM 0 HZ PHE A 30 2.495 -10.454 9.014 1.00 31.31 H new ATOM 478 N GLY A 31 -2.924 -5.172 11.529 1.00 53.44 N ATOM 479 CA GLY A 31 -3.770 -4.029 11.821 1.00 62.00 C ATOM 480 C GLY A 31 -3.195 -2.731 11.289 1.00 20.20 C ATOM 481 O GLY A 31 -2.048 -2.689 10.846 1.00 23.15 O ATOM 0 H GLY A 31 -1.938 -4.951 11.389 1.00 53.44 H new ATOM 0 HA2 GLY A 31 -4.757 -4.191 11.387 1.00 62.00 H new ATOM 0 HA3 GLY A 31 -3.906 -3.948 12.899 1.00 62.00 H new ATOM 485 N GLU A 32 -3.995 -1.670 11.331 1.00 61.21 N ATOM 486 CA GLU A 32 -3.559 -0.366 10.846 1.00 3.15 C ATOM 487 C GLU A 32 -2.282 0.078 11.555 1.00 52.51 C ATOM 488 O GLU A 32 -1.483 0.832 11.002 1.00 45.22 O ATOM 489 CB GLU A 32 -4.660 0.675 11.056 1.00 12.31 C ATOM 490 CG GLU A 32 -4.862 1.064 12.511 1.00 24.31 C ATOM 491 CD GLU A 32 -4.169 2.364 12.869 1.00 52.40 C ATOM 492 OE1 GLU A 32 -4.187 3.295 12.037 1.00 52.21 O ATOM 493 OE2 GLU A 32 -3.609 2.451 13.982 1.00 15.11 O ATOM 0 H GLU A 32 -4.947 -1.688 11.696 1.00 61.21 H new ATOM 0 HA GLU A 32 -3.351 -0.454 9.780 1.00 3.15 H new ATOM 0 HB2 GLU A 32 -4.418 1.568 10.480 1.00 12.31 H new ATOM 0 HB3 GLU A 32 -5.597 0.285 10.660 1.00 12.31 H new ATOM 0 HG2 GLU A 32 -5.929 1.158 12.713 1.00 24.31 H new ATOM 0 HG3 GLU A 32 -4.485 0.267 13.152 1.00 24.31 H new ATOM 500 N GLY A 33 -2.099 -0.395 12.784 1.00 41.40 N ATOM 501 CA GLY A 33 -0.919 -0.035 13.549 1.00 71.42 C ATOM 502 C GLY A 33 0.348 -0.644 12.981 1.00 74.21 C ATOM 503 O GLY A 33 1.394 0.001 12.950 1.00 5.11 O ATOM 0 H GLY A 33 -2.746 -1.021 13.263 1.00 41.40 H new ATOM 0 HA2 GLY A 33 -0.820 1.050 13.569 1.00 71.42 H new ATOM 0 HA3 GLY A 33 -1.045 -0.362 14.581 1.00 71.42 H new ATOM 507 N ASN A 34 0.253 -1.891 12.532 1.00 70.54 N ATOM 508 CA ASN A 34 1.401 -2.589 11.964 1.00 4.41 C ATOM 509 C ASN A 34 1.767 -2.013 10.600 1.00 45.34 C ATOM 510 O ASN A 34 2.944 -1.824 10.289 1.00 53.42 O ATOM 511 CB ASN A 34 1.104 -4.084 11.836 1.00 63.00 C ATOM 512 CG ASN A 34 1.444 -4.851 13.099 1.00 32.33 C ATOM 513 OD1 ASN A 34 2.360 -4.484 13.835 1.00 51.41 O ATOM 514 ND2 ASN A 34 0.705 -5.924 13.356 1.00 34.14 N ATOM 0 H ASN A 34 -0.607 -2.439 12.550 1.00 70.54 H new ATOM 0 HA ASN A 34 2.248 -2.451 12.636 1.00 4.41 H new ATOM 0 HB2 ASN A 34 0.048 -4.223 11.603 1.00 63.00 H new ATOM 0 HB3 ASN A 34 1.672 -4.494 11.001 1.00 63.00 H new ATOM 0 HD21 ASN A 34 0.887 -6.480 14.191 1.00 34.14 H new ATOM 0 HD22 ASN A 34 -0.045 -6.192 12.718 1.00 34.14 H new ATOM 521 N PHE A 35 0.752 -1.735 9.789 1.00 72.43 N ATOM 522 CA PHE A 35 0.966 -1.181 8.457 1.00 20.20 C ATOM 523 C PHE A 35 1.550 0.226 8.541 1.00 62.10 C ATOM 524 O PHE A 35 2.594 0.512 7.955 1.00 42.14 O ATOM 525 CB PHE A 35 -0.349 -1.154 7.675 1.00 0.22 C ATOM 526 CG PHE A 35 -1.129 -2.434 7.770 1.00 52.24 C ATOM 527 CD1 PHE A 35 -0.496 -3.658 7.633 1.00 63.42 C ATOM 528 CD2 PHE A 35 -2.496 -2.412 7.994 1.00 32.34 C ATOM 529 CE1 PHE A 35 -1.211 -4.838 7.719 1.00 24.25 C ATOM 530 CE2 PHE A 35 -3.216 -3.589 8.082 1.00 12.34 C ATOM 531 CZ PHE A 35 -2.573 -4.803 7.944 1.00 61.15 C ATOM 0 H PHE A 35 -0.228 -1.884 10.031 1.00 72.43 H new ATOM 0 HA PHE A 35 1.678 -1.820 7.935 1.00 20.20 H new ATOM 0 HB2 PHE A 35 -0.965 -0.334 8.044 1.00 0.22 H new ATOM 0 HB3 PHE A 35 -0.135 -0.945 6.627 1.00 0.22 H new ATOM 0 HD1 PHE A 35 0.569 -3.691 7.457 1.00 63.42 H new ATOM 0 HD2 PHE A 35 -3.005 -1.465 8.101 1.00 32.34 H new ATOM 0 HE1 PHE A 35 -0.705 -5.786 7.610 1.00 24.25 H new ATOM 0 HE2 PHE A 35 -4.281 -3.559 8.259 1.00 12.34 H new ATOM 0 HZ PHE A 35 -3.134 -5.723 8.012 1.00 61.15 H new ATOM 541 N ARG A 36 0.869 1.100 9.274 1.00 54.32 N ATOM 542 CA ARG A 36 1.318 2.478 9.434 1.00 40.05 C ATOM 543 C ARG A 36 2.699 2.528 10.081 1.00 60.24 C ATOM 544 O ARG A 36 3.497 3.421 9.796 1.00 13.20 O ATOM 545 CB ARG A 36 0.318 3.268 10.279 1.00 10.44 C ATOM 546 CG ARG A 36 0.371 2.930 11.760 1.00 30.41 C ATOM 547 CD ARG A 36 1.310 3.861 12.511 1.00 33.44 C ATOM 548 NE ARG A 36 0.964 3.961 13.927 1.00 50.23 N ATOM 549 CZ ARG A 36 1.727 4.569 14.828 1.00 12.42 C ATOM 550 NH1 ARG A 36 2.872 5.129 14.463 1.00 22.22 N ATOM 551 NH2 ARG A 36 1.344 4.619 16.098 1.00 41.53 N ATOM 0 H ARG A 36 0.004 0.879 9.767 1.00 54.32 H new ATOM 0 HA ARG A 36 1.383 2.930 8.444 1.00 40.05 H new ATOM 0 HB2 ARG A 36 0.509 4.333 10.151 1.00 10.44 H new ATOM 0 HB3 ARG A 36 -0.689 3.078 9.907 1.00 10.44 H new ATOM 0 HG2 ARG A 36 -0.630 3.000 12.186 1.00 30.41 H new ATOM 0 HG3 ARG A 36 0.701 1.899 11.887 1.00 30.41 H new ATOM 0 HD2 ARG A 36 2.334 3.500 12.412 1.00 33.44 H new ATOM 0 HD3 ARG A 36 1.276 4.852 12.059 1.00 33.44 H new ATOM 0 HE ARG A 36 0.089 3.541 14.241 1.00 50.23 H new ATOM 0 HH11 ARG A 36 3.169 5.094 13.488 1.00 22.22 H new ATOM 0 HH12 ARG A 36 3.456 5.595 15.157 1.00 22.22 H new ATOM 0 HH21 ARG A 36 0.463 4.190 16.382 1.00 41.53 H new ATOM 0 HH22 ARG A 36 1.930 5.086 16.790 1.00 41.53 H new ATOM 565 N TRP A 37 2.973 1.564 10.952 1.00 63.43 N ATOM 566 CA TRP A 37 4.258 1.498 11.640 1.00 53.04 C ATOM 567 C TRP A 37 5.398 1.301 10.647 1.00 73.14 C ATOM 568 O TRP A 37 6.356 2.073 10.626 1.00 13.02 O ATOM 569 CB TRP A 37 4.254 0.361 12.663 1.00 50.21 C ATOM 570 CG TRP A 37 5.596 0.117 13.285 1.00 53.42 C ATOM 571 CD1 TRP A 37 6.101 0.715 14.404 1.00 31.32 C ATOM 572 CD2 TRP A 37 6.603 -0.788 12.821 1.00 4.31 C ATOM 573 NE1 TRP A 37 7.362 0.235 14.664 1.00 1.53 N ATOM 574 CE2 TRP A 37 7.693 -0.688 13.708 1.00 1.02 C ATOM 575 CE3 TRP A 37 6.691 -1.674 11.744 1.00 34.13 C ATOM 576 CZ2 TRP A 37 8.854 -1.440 13.549 1.00 74.43 C ATOM 577 CZ3 TRP A 37 7.843 -2.420 11.587 1.00 3.03 C ATOM 578 CH2 TRP A 37 8.912 -2.300 12.486 1.00 71.23 C ATOM 0 H TRP A 37 2.323 0.817 11.199 1.00 63.43 H new ATOM 0 HA TRP A 37 4.413 2.444 12.159 1.00 53.04 H new ATOM 0 HB2 TRP A 37 3.534 0.591 13.448 1.00 50.21 H new ATOM 0 HB3 TRP A 37 3.915 -0.554 12.177 1.00 50.21 H new ATOM 0 HD1 TRP A 37 5.585 1.456 14.997 1.00 31.32 H new ATOM 0 HE1 TRP A 37 7.956 0.520 15.443 1.00 1.53 H new ATOM 0 HE3 TRP A 37 5.873 -1.774 11.046 1.00 34.13 H new ATOM 0 HZ2 TRP A 37 9.679 -1.348 14.240 1.00 74.43 H new ATOM 0 HZ3 TRP A 37 7.921 -3.107 10.758 1.00 3.03 H new ATOM 0 HH2 TRP A 37 9.799 -2.898 12.337 1.00 71.23 H new ATOM 589 N ALA A 38 5.288 0.263 9.824 1.00 34.32 N ATOM 590 CA ALA A 38 6.309 -0.034 8.827 1.00 14.31 C ATOM 591 C ALA A 38 6.417 1.089 7.801 1.00 12.55 C ATOM 592 O ALA A 38 7.509 1.587 7.525 1.00 13.44 O ATOM 593 CB ALA A 38 6.004 -1.355 8.136 1.00 12.41 C ATOM 0 H ALA A 38 4.502 -0.386 9.828 1.00 34.32 H new ATOM 0 HA ALA A 38 7.268 -0.117 9.339 1.00 14.31 H new ATOM 0 HB1 ALA A 38 6.775 -1.564 7.394 1.00 12.41 H new ATOM 0 HB2 ALA A 38 5.985 -2.156 8.875 1.00 12.41 H new ATOM 0 HB3 ALA A 38 5.034 -1.292 7.643 1.00 12.41 H new ATOM 599 N ILE A 39 5.279 1.483 7.240 1.00 52.12 N ATOM 600 CA ILE A 39 5.247 2.548 6.245 1.00 73.11 C ATOM 601 C ILE A 39 5.885 3.823 6.784 1.00 10.52 C ATOM 602 O ILE A 39 6.827 4.355 6.196 1.00 54.32 O ATOM 603 CB ILE A 39 3.806 2.857 5.798 1.00 52.51 C ATOM 604 CG1 ILE A 39 3.148 1.604 5.217 1.00 64.02 C ATOM 605 CG2 ILE A 39 3.799 3.987 4.779 1.00 74.14 C ATOM 606 CD1 ILE A 39 1.638 1.679 5.172 1.00 43.45 C ATOM 0 H ILE A 39 4.367 1.081 7.457 1.00 52.12 H new ATOM 0 HA ILE A 39 5.817 2.195 5.386 1.00 73.11 H new ATOM 0 HB ILE A 39 3.232 3.175 6.668 1.00 52.51 H new ATOM 0 HG12 ILE A 39 3.526 1.440 4.208 1.00 64.02 H new ATOM 0 HG13 ILE A 39 3.443 0.740 5.812 1.00 64.02 H new ATOM 0 HG21 ILE A 39 2.774 4.194 4.472 1.00 74.14 H new ATOM 0 HG22 ILE A 39 4.232 4.882 5.225 1.00 74.14 H new ATOM 0 HG23 ILE A 39 4.386 3.695 3.908 1.00 74.14 H new ATOM 0 HD11 ILE A 39 1.240 0.757 4.749 1.00 43.45 H new ATOM 0 HD12 ILE A 39 1.250 1.812 6.182 1.00 43.45 H new ATOM 0 HD13 ILE A 39 1.334 2.523 4.553 1.00 43.45 H new ATOM 618 N ARG A 40 5.367 4.308 7.908 1.00 40.40 N ATOM 619 CA ARG A 40 5.887 5.521 8.528 1.00 54.54 C ATOM 620 C ARG A 40 7.398 5.431 8.717 1.00 60.30 C ATOM 621 O ARG A 40 8.145 6.289 8.248 1.00 13.21 O ATOM 622 CB ARG A 40 5.206 5.762 9.876 1.00 4.35 C ATOM 623 CG ARG A 40 5.572 7.093 10.514 1.00 74.02 C ATOM 624 CD ARG A 40 4.735 8.230 9.948 1.00 62.12 C ATOM 625 NE ARG A 40 5.542 9.412 9.660 1.00 45.35 N ATOM 626 CZ ARG A 40 5.924 10.285 10.585 1.00 3.03 C ATOM 627 NH1 ARG A 40 5.574 10.108 11.852 1.00 45.50 N ATOM 628 NH2 ARG A 40 6.658 11.337 10.245 1.00 63.21 N ATOM 0 H ARG A 40 4.588 3.880 8.408 1.00 40.40 H new ATOM 0 HA ARG A 40 5.671 6.359 7.865 1.00 54.54 H new ATOM 0 HB2 ARG A 40 4.125 5.719 9.740 1.00 4.35 H new ATOM 0 HB3 ARG A 40 5.474 4.956 10.558 1.00 4.35 H new ATOM 0 HG2 ARG A 40 5.425 7.034 11.592 1.00 74.02 H new ATOM 0 HG3 ARG A 40 6.629 7.300 10.347 1.00 74.02 H new ATOM 0 HD2 ARG A 40 4.241 7.897 9.035 1.00 62.12 H new ATOM 0 HD3 ARG A 40 3.950 8.491 10.658 1.00 62.12 H new ATOM 0 HE ARG A 40 5.828 9.576 8.695 1.00 45.35 H new ATOM 0 HH11 ARG A 40 5.010 9.300 12.117 1.00 45.50 H new ATOM 0 HH12 ARG A 40 5.868 10.780 12.561 1.00 45.50 H new ATOM 0 HH21 ARG A 40 6.930 11.476 9.272 1.00 63.21 H new ATOM 0 HH22 ARG A 40 6.950 12.006 10.957 1.00 63.21 H new ATOM 642 N MET A 41 7.841 4.385 9.408 1.00 51.24 N ATOM 643 CA MET A 41 9.263 4.182 9.658 1.00 1.42 C ATOM 644 C MET A 41 10.059 4.249 8.359 1.00 61.54 C ATOM 645 O MET A 41 11.096 4.907 8.288 1.00 25.32 O ATOM 646 CB MET A 41 9.495 2.834 10.344 1.00 51.42 C ATOM 647 CG MET A 41 10.900 2.668 10.898 1.00 5.20 C ATOM 648 SD MET A 41 11.781 1.281 10.155 1.00 75.10 S ATOM 649 CE MET A 41 11.322 -0.046 11.267 1.00 12.13 C ATOM 0 H MET A 41 7.236 3.666 9.804 1.00 51.24 H new ATOM 0 HA MET A 41 9.608 4.980 10.316 1.00 1.42 H new ATOM 0 HB2 MET A 41 8.777 2.721 11.156 1.00 51.42 H new ATOM 0 HB3 MET A 41 9.298 2.034 9.631 1.00 51.42 H new ATOM 0 HG2 MET A 41 11.464 3.585 10.727 1.00 5.20 H new ATOM 0 HG3 MET A 41 10.846 2.523 11.977 1.00 5.20 H new ATOM 0 HE1 MET A 41 10.946 -0.891 10.690 1.00 12.13 H new ATOM 0 HE2 MET A 41 12.195 -0.358 11.841 1.00 12.13 H new ATOM 0 HE3 MET A 41 10.546 0.302 11.948 1.00 12.13 H new ATOM 659 N ALA A 42 9.566 3.562 7.333 1.00 44.44 N ATOM 660 CA ALA A 42 10.231 3.545 6.035 1.00 1.15 C ATOM 661 C ALA A 42 10.274 4.941 5.422 1.00 25.33 C ATOM 662 O ALA A 42 11.303 5.368 4.900 1.00 23.51 O ATOM 663 CB ALA A 42 9.530 2.575 5.096 1.00 51.30 C ATOM 0 H ALA A 42 8.709 3.010 7.375 1.00 44.44 H new ATOM 0 HA ALA A 42 11.258 3.211 6.184 1.00 1.15 H new ATOM 0 HB1 ALA A 42 10.037 2.572 4.131 1.00 51.30 H new ATOM 0 HB2 ALA A 42 9.557 1.572 5.523 1.00 51.30 H new ATOM 0 HB3 ALA A 42 8.494 2.884 4.961 1.00 51.30 H new ATOM 669 N ASN A 43 9.150 5.647 5.489 1.00 23.50 N ATOM 670 CA ASN A 43 9.060 6.994 4.939 1.00 42.12 C ATOM 671 C ASN A 43 10.145 7.894 5.523 1.00 15.15 C ATOM 672 O ASN A 43 10.678 8.767 4.839 1.00 61.04 O ATOM 673 CB ASN A 43 7.680 7.591 5.220 1.00 12.12 C ATOM 674 CG ASN A 43 7.132 8.364 4.036 1.00 10.31 C ATOM 675 OD1 ASN A 43 6.787 7.783 3.007 1.00 15.23 O ATOM 676 ND2 ASN A 43 7.050 9.682 4.177 1.00 44.21 N ATOM 0 H ASN A 43 8.289 5.308 5.919 1.00 23.50 H new ATOM 0 HA ASN A 43 9.208 6.930 3.861 1.00 42.12 H new ATOM 0 HB2 ASN A 43 6.987 6.791 5.480 1.00 12.12 H new ATOM 0 HB3 ASN A 43 7.742 8.252 6.084 1.00 12.12 H new ATOM 0 HD21 ASN A 43 6.689 10.255 3.414 1.00 44.21 H new ATOM 0 HD22 ASN A 43 7.348 10.121 5.048 1.00 44.21 H new ATOM 683 N VAL A 44 10.466 7.675 6.794 1.00 22.25 N ATOM 684 CA VAL A 44 11.488 8.464 7.472 1.00 41.24 C ATOM 685 C VAL A 44 12.879 8.129 6.946 1.00 43.21 C ATOM 686 O VAL A 44 13.566 8.985 6.389 1.00 5.30 O ATOM 687 CB VAL A 44 11.457 8.234 8.994 1.00 5.23 C ATOM 688 CG1 VAL A 44 12.445 9.156 9.694 1.00 60.24 C ATOM 689 CG2 VAL A 44 10.050 8.438 9.535 1.00 24.03 C ATOM 0 H VAL A 44 10.033 6.957 7.375 1.00 22.25 H new ATOM 0 HA VAL A 44 11.268 9.511 7.266 1.00 41.24 H new ATOM 0 HB VAL A 44 11.753 7.204 9.194 1.00 5.23 H new ATOM 0 HG11 VAL A 44 12.409 8.979 10.769 1.00 60.24 H new ATOM 0 HG12 VAL A 44 13.452 8.956 9.327 1.00 60.24 H new ATOM 0 HG13 VAL A 44 12.183 10.194 9.488 1.00 60.24 H new ATOM 0 HG21 VAL A 44 10.047 8.271 10.612 1.00 24.03 H new ATOM 0 HG22 VAL A 44 9.723 9.456 9.324 1.00 24.03 H new ATOM 0 HG23 VAL A 44 9.370 7.733 9.057 1.00 24.03 H new ATOM 699 N SER A 45 13.289 6.877 7.126 1.00 14.53 N ATOM 700 CA SER A 45 14.600 6.429 6.673 1.00 1.20 C ATOM 701 C SER A 45 14.784 6.705 5.184 1.00 74.13 C ATOM 702 O SER A 45 15.898 6.943 4.716 1.00 12.23 O ATOM 703 CB SER A 45 14.777 4.935 6.952 1.00 15.43 C ATOM 704 OG SER A 45 13.522 4.293 7.101 1.00 63.23 O ATOM 0 H SER A 45 12.731 6.155 7.583 1.00 14.53 H new ATOM 0 HA SER A 45 15.357 6.986 7.224 1.00 1.20 H new ATOM 0 HB2 SER A 45 15.331 4.472 6.135 1.00 15.43 H new ATOM 0 HB3 SER A 45 15.369 4.798 7.857 1.00 15.43 H new ATOM 0 HG SER A 45 13.658 3.381 7.432 1.00 63.23 H new ATOM 710 N THR A 46 13.681 6.671 4.442 1.00 70.24 N ATOM 711 CA THR A 46 13.718 6.915 3.005 1.00 4.34 C ATOM 712 C THR A 46 12.915 8.158 2.638 1.00 22.31 C ATOM 713 O THR A 46 12.171 8.161 1.659 1.00 72.54 O ATOM 714 CB THR A 46 13.170 5.712 2.216 1.00 21.51 C ATOM 715 OG1 THR A 46 11.746 5.643 2.353 1.00 4.31 O ATOM 716 CG2 THR A 46 13.795 4.414 2.706 1.00 75.43 C ATOM 0 H THR A 46 12.751 6.477 4.813 1.00 70.24 H new ATOM 0 HA THR A 46 14.763 7.069 2.737 1.00 4.34 H new ATOM 0 HB THR A 46 13.427 5.847 1.165 1.00 21.51 H new ATOM 0 HG1 THR A 46 11.518 5.379 3.269 1.00 4.31 H new ATOM 0 HG21 THR A 46 13.393 3.578 2.134 1.00 75.43 H new ATOM 0 HG22 THR A 46 14.876 4.458 2.573 1.00 75.43 H new ATOM 0 HG23 THR A 46 13.565 4.275 3.762 1.00 75.43 H new ATOM 851 N THR A 56 2.083 6.416 -6.490 1.00 40.32 N ATOM 852 CA THR A 56 1.857 5.474 -7.579 1.00 30.24 C ATOM 853 C THR A 56 2.480 4.117 -7.270 1.00 11.25 C ATOM 854 O THR A 56 3.458 4.026 -6.526 1.00 14.42 O ATOM 855 CB THR A 56 2.434 6.000 -8.906 1.00 53.24 C ATOM 856 OG1 THR A 56 3.863 5.918 -8.887 1.00 21.33 O ATOM 857 CG2 THR A 56 2.007 7.440 -9.149 1.00 1.24 C ATOM 0 HA THR A 56 0.778 5.361 -7.680 1.00 30.24 H new ATOM 0 HB THR A 56 2.046 5.381 -9.715 1.00 53.24 H new ATOM 0 HG1 THR A 56 4.221 6.253 -9.735 1.00 21.33 H new ATOM 0 HG21 THR A 56 2.427 7.790 -10.092 1.00 1.24 H new ATOM 0 HG22 THR A 56 0.919 7.494 -9.194 1.00 1.24 H new ATOM 0 HG23 THR A 56 2.369 8.069 -8.336 1.00 1.24 H new ATOM 865 N LEU A 57 1.909 3.065 -7.845 1.00 21.32 N ATOM 866 CA LEU A 57 2.409 1.711 -7.631 1.00 44.02 C ATOM 867 C LEU A 57 3.905 1.632 -7.918 1.00 24.11 C ATOM 868 O LEU A 57 4.632 0.876 -7.272 1.00 42.53 O ATOM 869 CB LEU A 57 1.655 0.721 -8.520 1.00 40.15 C ATOM 870 CG LEU A 57 1.024 -0.475 -7.808 1.00 34.23 C ATOM 871 CD1 LEU A 57 0.413 -1.436 -8.816 1.00 53.10 C ATOM 872 CD2 LEU A 57 2.056 -1.188 -6.946 1.00 73.44 C ATOM 0 H LEU A 57 1.100 3.123 -8.463 1.00 21.32 H new ATOM 0 HA LEU A 57 2.243 1.450 -6.586 1.00 44.02 H new ATOM 0 HB2 LEU A 57 0.868 1.262 -9.045 1.00 40.15 H new ATOM 0 HB3 LEU A 57 2.344 0.346 -9.277 1.00 40.15 H new ATOM 0 HG LEU A 57 0.229 -0.108 -7.159 1.00 34.23 H new ATOM 0 HD11 LEU A 57 -0.031 -2.281 -8.290 1.00 53.10 H new ATOM 0 HD12 LEU A 57 -0.357 -0.920 -9.390 1.00 53.10 H new ATOM 0 HD13 LEU A 57 1.189 -1.796 -9.492 1.00 53.10 H new ATOM 0 HD21 LEU A 57 1.589 -2.037 -6.447 1.00 73.44 H new ATOM 0 HD22 LEU A 57 2.873 -1.542 -7.575 1.00 73.44 H new ATOM 0 HD23 LEU A 57 2.446 -0.497 -6.199 1.00 73.44 H new ATOM 884 N ASP A 58 4.359 2.418 -8.888 1.00 72.21 N ATOM 885 CA ASP A 58 5.769 2.439 -9.258 1.00 42.43 C ATOM 886 C ASP A 58 6.615 3.044 -8.142 1.00 31.12 C ATOM 887 O ASP A 58 7.647 2.490 -7.764 1.00 12.24 O ATOM 888 CB ASP A 58 5.967 3.232 -10.551 1.00 40.41 C ATOM 889 CG ASP A 58 6.214 2.336 -11.748 1.00 65.42 C ATOM 890 OD1 ASP A 58 5.231 1.805 -12.305 1.00 32.02 O ATOM 891 OD2 ASP A 58 7.392 2.164 -12.128 1.00 31.30 O ATOM 0 H ASP A 58 3.771 3.049 -9.432 1.00 72.21 H new ATOM 0 HA ASP A 58 6.092 1.410 -9.418 1.00 42.43 H new ATOM 0 HB2 ASP A 58 5.085 3.846 -10.736 1.00 40.41 H new ATOM 0 HB3 ASP A 58 6.810 3.913 -10.431 1.00 40.41 H new ATOM 896 N GLN A 59 6.170 4.183 -7.620 1.00 64.31 N ATOM 897 CA GLN A 59 6.888 4.863 -6.548 1.00 70.33 C ATOM 898 C GLN A 59 7.037 3.955 -5.332 1.00 23.02 C ATOM 899 O GLN A 59 8.132 3.805 -4.787 1.00 33.52 O ATOM 900 CB GLN A 59 6.159 6.148 -6.154 1.00 2.43 C ATOM 901 CG GLN A 59 6.787 7.406 -6.734 1.00 34.24 C ATOM 902 CD GLN A 59 6.298 8.669 -6.053 1.00 2.14 C ATOM 903 OE1 GLN A 59 5.431 9.372 -6.572 1.00 1.53 O ATOM 904 NE2 GLN A 59 6.854 8.964 -4.883 1.00 74.00 N ATOM 0 H GLN A 59 5.317 4.654 -7.922 1.00 64.31 H new ATOM 0 HA GLN A 59 7.883 5.116 -6.914 1.00 70.33 H new ATOM 0 HB2 GLN A 59 5.122 6.084 -6.485 1.00 2.43 H new ATOM 0 HB3 GLN A 59 6.143 6.228 -5.067 1.00 2.43 H new ATOM 0 HG2 GLN A 59 7.871 7.343 -6.640 1.00 34.24 H new ATOM 0 HG3 GLN A 59 6.563 7.462 -7.799 1.00 34.24 H new ATOM 0 HE21 GLN A 59 7.569 8.353 -4.490 1.00 74.00 H new ATOM 0 HE22 GLN A 59 6.565 9.802 -4.378 1.00 74.00 H new ATOM 913 N LEU A 60 5.931 3.352 -4.910 1.00 40.33 N ATOM 914 CA LEU A 60 5.938 2.459 -3.757 1.00 64.12 C ATOM 915 C LEU A 60 6.810 1.236 -4.022 1.00 23.44 C ATOM 916 O LEU A 60 7.509 0.754 -3.129 1.00 54.23 O ATOM 917 CB LEU A 60 4.513 2.020 -3.418 1.00 72.55 C ATOM 918 CG LEU A 60 4.375 1.007 -2.281 1.00 71.32 C ATOM 919 CD1 LEU A 60 4.083 1.716 -0.968 1.00 22.53 C ATOM 920 CD2 LEU A 60 3.283 -0.005 -2.597 1.00 51.25 C ATOM 0 H LEU A 60 5.018 3.465 -5.349 1.00 40.33 H new ATOM 0 HA LEU A 60 6.355 3.003 -2.909 1.00 64.12 H new ATOM 0 HB2 LEU A 60 3.933 2.906 -3.161 1.00 72.55 H new ATOM 0 HB3 LEU A 60 4.063 1.593 -4.314 1.00 72.55 H new ATOM 0 HG LEU A 60 5.319 0.472 -2.180 1.00 71.32 H new ATOM 0 HD11 LEU A 60 3.988 0.980 -0.170 1.00 22.53 H new ATOM 0 HD12 LEU A 60 4.899 2.400 -0.735 1.00 22.53 H new ATOM 0 HD13 LEU A 60 3.153 2.277 -1.057 1.00 22.53 H new ATOM 0 HD21 LEU A 60 3.199 -0.718 -1.777 1.00 51.25 H new ATOM 0 HD22 LEU A 60 2.333 0.513 -2.726 1.00 51.25 H new ATOM 0 HD23 LEU A 60 3.534 -0.536 -3.515 1.00 51.25 H new ATOM 932 N ARG A 61 6.766 0.739 -5.254 1.00 3.14 N ATOM 933 CA ARG A 61 7.553 -0.427 -5.636 1.00 21.22 C ATOM 934 C ARG A 61 9.037 -0.195 -5.365 1.00 53.21 C ATOM 935 O ARG A 61 9.718 -1.052 -4.800 1.00 55.04 O ATOM 936 CB ARG A 61 7.338 -0.751 -7.115 1.00 64.24 C ATOM 937 CG ARG A 61 8.069 -2.001 -7.577 1.00 72.54 C ATOM 938 CD ARG A 61 8.962 -1.715 -8.775 1.00 14.25 C ATOM 939 NE ARG A 61 8.213 -1.718 -10.029 1.00 23.03 N ATOM 940 CZ ARG A 61 8.786 -1.775 -11.226 1.00 31.11 C ATOM 941 NH1 ARG A 61 10.106 -1.834 -11.331 1.00 3.11 N ATOM 942 NH2 ARG A 61 8.037 -1.774 -12.321 1.00 62.05 N ATOM 0 H ARG A 61 6.194 1.126 -6.004 1.00 3.14 H new ATOM 0 HA ARG A 61 7.220 -1.272 -5.034 1.00 21.22 H new ATOM 0 HB2 ARG A 61 6.271 -0.875 -7.300 1.00 64.24 H new ATOM 0 HB3 ARG A 61 7.669 0.096 -7.716 1.00 64.24 H new ATOM 0 HG2 ARG A 61 8.672 -2.395 -6.759 1.00 72.54 H new ATOM 0 HG3 ARG A 61 7.344 -2.772 -7.838 1.00 72.54 H new ATOM 0 HD2 ARG A 61 9.445 -0.747 -8.644 1.00 14.25 H new ATOM 0 HD3 ARG A 61 9.754 -2.463 -8.824 1.00 14.25 H new ATOM 0 HE ARG A 61 7.195 -1.674 -9.983 1.00 23.03 H new ATOM 0 HH11 ARG A 61 10.685 -1.836 -10.491 1.00 3.11 H new ATOM 0 HH12 ARG A 61 10.543 -1.878 -12.252 1.00 3.11 H new ATOM 0 HH21 ARG A 61 7.021 -1.729 -12.244 1.00 62.05 H new ATOM 0 HH22 ARG A 61 8.477 -1.818 -13.240 1.00 62.05 H new ATOM 956 N LEU A 62 9.532 0.969 -5.772 1.00 34.02 N ATOM 957 CA LEU A 62 10.935 1.315 -5.574 1.00 31.32 C ATOM 958 C LEU A 62 11.251 1.478 -4.091 1.00 4.53 C ATOM 959 O LEU A 62 12.309 1.059 -3.621 1.00 30.23 O ATOM 960 CB LEU A 62 11.274 2.604 -6.325 1.00 31.43 C ATOM 961 CG LEU A 62 12.368 2.494 -7.387 1.00 24.42 C ATOM 962 CD1 LEU A 62 13.660 1.980 -6.771 1.00 23.23 C ATOM 963 CD2 LEU A 62 11.920 1.587 -8.523 1.00 75.52 C ATOM 0 H LEU A 62 8.982 1.689 -6.241 1.00 34.02 H new ATOM 0 HA LEU A 62 11.544 0.502 -5.969 1.00 31.32 H new ATOM 0 HB2 LEU A 62 10.366 2.971 -6.804 1.00 31.43 H new ATOM 0 HB3 LEU A 62 11.577 3.356 -5.597 1.00 31.43 H new ATOM 0 HG LEU A 62 12.553 3.488 -7.794 1.00 24.42 H new ATOM 0 HD11 LEU A 62 14.427 1.908 -7.542 1.00 23.23 H new ATOM 0 HD12 LEU A 62 13.991 2.668 -5.993 1.00 23.23 H new ATOM 0 HD13 LEU A 62 13.489 0.995 -6.336 1.00 23.23 H new ATOM 0 HD21 LEU A 62 12.712 1.521 -9.269 1.00 75.52 H new ATOM 0 HD22 LEU A 62 11.706 0.592 -8.132 1.00 75.52 H new ATOM 0 HD23 LEU A 62 11.021 1.997 -8.983 1.00 75.52 H new ATOM 975 N VAL A 63 10.326 2.090 -3.357 1.00 64.24 N ATOM 976 CA VAL A 63 10.505 2.306 -1.927 1.00 11.13 C ATOM 977 C VAL A 63 10.742 0.989 -1.197 1.00 64.31 C ATOM 978 O VAL A 63 11.643 0.883 -0.364 1.00 71.40 O ATOM 979 CB VAL A 63 9.282 3.009 -1.308 1.00 50.45 C ATOM 980 CG1 VAL A 63 9.489 3.228 0.182 1.00 12.45 C ATOM 981 CG2 VAL A 63 9.012 4.328 -2.017 1.00 12.21 C ATOM 0 H VAL A 63 9.445 2.445 -3.730 1.00 64.24 H new ATOM 0 HA VAL A 63 11.380 2.945 -1.811 1.00 11.13 H new ATOM 0 HB VAL A 63 8.411 2.367 -1.438 1.00 50.45 H new ATOM 0 HG11 VAL A 63 8.615 3.726 0.602 1.00 12.45 H new ATOM 0 HG12 VAL A 63 9.630 2.266 0.675 1.00 12.45 H new ATOM 0 HG13 VAL A 63 10.371 3.849 0.339 1.00 12.45 H new ATOM 0 HG21 VAL A 63 8.145 4.812 -1.568 1.00 12.21 H new ATOM 0 HG22 VAL A 63 9.881 4.978 -1.919 1.00 12.21 H new ATOM 0 HG23 VAL A 63 8.816 4.140 -3.073 1.00 12.21 H new ATOM 991 N ILE A 64 9.929 -0.013 -1.516 1.00 44.31 N ATOM 992 CA ILE A 64 10.052 -1.324 -0.892 1.00 23.20 C ATOM 993 C ILE A 64 11.410 -1.951 -1.193 1.00 35.04 C ATOM 994 O ILE A 64 12.132 -2.358 -0.282 1.00 1.10 O ATOM 995 CB ILE A 64 8.942 -2.280 -1.366 1.00 54.25 C ATOM 996 CG1 ILE A 64 7.564 -1.695 -1.047 1.00 44.42 C ATOM 997 CG2 ILE A 64 9.106 -3.646 -0.718 1.00 71.21 C ATOM 998 CD1 ILE A 64 6.442 -2.319 -1.847 1.00 24.24 C ATOM 0 H ILE A 64 9.178 0.059 -2.203 1.00 44.31 H new ATOM 0 HA ILE A 64 9.954 -1.172 0.183 1.00 23.20 H new ATOM 0 HB ILE A 64 9.024 -2.400 -2.446 1.00 54.25 H new ATOM 0 HG12 ILE A 64 7.359 -1.828 0.015 1.00 44.42 H new ATOM 0 HG13 ILE A 64 7.581 -0.622 -1.237 1.00 44.42 H new ATOM 0 HG21 ILE A 64 8.314 -4.310 -1.063 1.00 71.21 H new ATOM 0 HG22 ILE A 64 10.075 -4.064 -0.991 1.00 71.21 H new ATOM 0 HG23 ILE A 64 9.047 -3.544 0.366 1.00 71.21 H new ATOM 0 HD11 ILE A 64 5.495 -1.856 -1.569 1.00 24.24 H new ATOM 0 HD12 ILE A 64 6.623 -2.164 -2.911 1.00 24.24 H new ATOM 0 HD13 ILE A 64 6.398 -3.388 -1.639 1.00 24.24 H new ATOM 1010 N CYS A 65 11.750 -2.024 -2.474 1.00 42.04 N ATOM 1011 CA CYS A 65 13.022 -2.600 -2.896 1.00 21.42 C ATOM 1012 C CYS A 65 14.187 -1.939 -2.167 1.00 0.13 C ATOM 1013 O CYS A 65 15.128 -2.610 -1.743 1.00 5.41 O ATOM 1014 CB CYS A 65 13.199 -2.449 -4.407 1.00 54.14 C ATOM 1015 SG CYS A 65 14.326 -3.655 -5.144 1.00 24.35 S ATOM 0 H CYS A 65 11.163 -1.692 -3.239 1.00 42.04 H new ATOM 0 HA CYS A 65 13.013 -3.660 -2.643 1.00 21.42 H new ATOM 0 HB2 CYS A 65 12.224 -2.539 -4.887 1.00 54.14 H new ATOM 0 HB3 CYS A 65 13.568 -1.446 -4.620 1.00 54.14 H new ATOM 0 HG CYS A 65 14.408 -3.446 -6.425 1.00 24.35 H new ATOM 1021 N ASP A 66 14.117 -0.620 -2.026 1.00 3.13 N ATOM 1022 CA ASP A 66 15.166 0.133 -1.348 1.00 45.23 C ATOM 1023 C ASP A 66 15.129 -0.115 0.156 1.00 31.43 C ATOM 1024 O ASP A 66 16.170 -0.190 0.810 1.00 0.13 O ATOM 1025 CB ASP A 66 15.017 1.628 -1.635 1.00 13.23 C ATOM 1026 CG ASP A 66 15.458 1.996 -3.038 1.00 31.13 C ATOM 1027 OD1 ASP A 66 16.379 1.335 -3.562 1.00 55.30 O ATOM 1028 OD2 ASP A 66 14.883 2.945 -3.611 1.00 50.02 O ATOM 0 H ASP A 66 13.345 -0.050 -2.372 1.00 3.13 H new ATOM 0 HA ASP A 66 16.128 -0.208 -1.730 1.00 45.23 H new ATOM 0 HB2 ASP A 66 13.976 1.919 -1.497 1.00 13.23 H new ATOM 0 HB3 ASP A 66 15.605 2.194 -0.912 1.00 13.23 H new ATOM 1033 N LEU A 67 13.923 -0.242 0.700 1.00 43.12 N ATOM 1034 CA LEU A 67 13.749 -0.481 2.128 1.00 24.23 C ATOM 1035 C LEU A 67 14.390 -1.802 2.541 1.00 21.41 C ATOM 1036 O LEU A 67 15.176 -1.853 3.487 1.00 42.44 O ATOM 1037 CB LEU A 67 12.262 -0.488 2.487 1.00 63.42 C ATOM 1038 CG LEU A 67 11.917 -0.105 3.926 1.00 21.44 C ATOM 1039 CD1 LEU A 67 12.505 -1.112 4.902 1.00 22.54 C ATOM 1040 CD2 LEU A 67 12.416 1.298 4.239 1.00 25.43 C ATOM 0 H LEU A 67 13.052 -0.183 0.173 1.00 43.12 H new ATOM 0 HA LEU A 67 14.243 0.326 2.669 1.00 24.23 H new ATOM 0 HB2 LEU A 67 11.744 0.197 1.816 1.00 63.42 H new ATOM 0 HB3 LEU A 67 11.867 -1.485 2.293 1.00 63.42 H new ATOM 0 HG LEU A 67 10.832 -0.116 4.034 1.00 21.44 H new ATOM 0 HD11 LEU A 67 12.249 -0.823 5.921 1.00 22.54 H new ATOM 0 HD12 LEU A 67 12.099 -2.102 4.693 1.00 22.54 H new ATOM 0 HD13 LEU A 67 13.589 -1.134 4.793 1.00 22.54 H new ATOM 0 HD21 LEU A 67 12.161 1.554 5.268 1.00 25.43 H new ATOM 0 HD22 LEU A 67 13.498 1.336 4.113 1.00 25.43 H new ATOM 0 HD23 LEU A 67 11.946 2.011 3.561 1.00 25.43 H new ATOM 1052 N GLN A 68 14.050 -2.869 1.824 1.00 13.33 N ATOM 1053 CA GLN A 68 14.593 -4.190 2.116 1.00 44.21 C ATOM 1054 C GLN A 68 16.062 -4.275 1.715 1.00 45.41 C ATOM 1055 O GLN A 68 16.823 -5.065 2.272 1.00 35.45 O ATOM 1056 CB GLN A 68 13.790 -5.268 1.386 1.00 42.43 C ATOM 1057 CG GLN A 68 13.972 -6.660 1.967 1.00 62.41 C ATOM 1058 CD GLN A 68 14.939 -7.507 1.163 1.00 43.43 C ATOM 1059 OE1 GLN A 68 15.993 -7.907 1.659 1.00 51.21 O ATOM 1060 NE2 GLN A 68 14.586 -7.784 -0.087 1.00 31.12 N ATOM 0 H GLN A 68 13.401 -2.844 1.037 1.00 13.33 H new ATOM 0 HA GLN A 68 14.518 -4.356 3.191 1.00 44.21 H new ATOM 0 HB2 GLN A 68 12.733 -5.006 1.418 1.00 42.43 H new ATOM 0 HB3 GLN A 68 14.084 -5.280 0.336 1.00 42.43 H new ATOM 0 HG2 GLN A 68 14.333 -6.577 2.992 1.00 62.41 H new ATOM 0 HG3 GLN A 68 13.005 -7.161 2.009 1.00 62.41 H new ATOM 0 HE21 GLN A 68 13.703 -7.432 -0.458 1.00 31.12 H new ATOM 0 HE22 GLN A 68 15.198 -8.349 -0.676 1.00 31.12 H new ATOM 1069 N GLU A 69 16.454 -3.455 0.744 1.00 2.25 N ATOM 1070 CA GLU A 69 17.833 -3.439 0.269 1.00 75.03 C ATOM 1071 C GLU A 69 18.765 -2.850 1.323 1.00 24.42 C ATOM 1072 O GLU A 69 19.672 -3.525 1.811 1.00 64.11 O ATOM 1073 CB GLU A 69 17.939 -2.634 -1.028 1.00 74.13 C ATOM 1074 CG GLU A 69 19.369 -2.405 -1.487 1.00 11.41 C ATOM 1075 CD GLU A 69 20.147 -3.697 -1.639 1.00 4.14 C ATOM 1076 OE1 GLU A 69 20.126 -4.277 -2.744 1.00 52.02 O ATOM 1077 OE2 GLU A 69 20.779 -4.128 -0.651 1.00 14.11 O ATOM 0 H GLU A 69 15.837 -2.794 0.272 1.00 2.25 H new ATOM 0 HA GLU A 69 18.136 -4.468 0.076 1.00 75.03 H new ATOM 0 HB2 GLU A 69 17.393 -3.155 -1.815 1.00 74.13 H new ATOM 0 HB3 GLU A 69 17.452 -1.669 -0.887 1.00 74.13 H new ATOM 0 HG2 GLU A 69 19.360 -1.876 -2.440 1.00 11.41 H new ATOM 0 HG3 GLU A 69 19.878 -1.761 -0.770 1.00 11.41 H new ATOM 1084 N ARG A 70 18.536 -1.588 1.670 1.00 73.15 N ATOM 1085 CA ARG A 70 19.356 -0.907 2.664 1.00 31.43 C ATOM 1086 C ARG A 70 19.301 -1.635 4.004 1.00 22.32 C ATOM 1087 O ARG A 70 20.335 -1.927 4.606 1.00 72.31 O ATOM 1088 CB ARG A 70 18.889 0.539 2.838 1.00 20.01 C ATOM 1089 CG ARG A 70 19.992 1.564 2.629 1.00 55.23 C ATOM 1090 CD ARG A 70 20.191 1.874 1.153 1.00 3.04 C ATOM 1091 NE ARG A 70 20.663 3.240 0.940 1.00 62.51 N ATOM 1092 CZ ARG A 70 19.907 4.316 1.126 1.00 22.11 C ATOM 1093 NH1 ARG A 70 18.650 4.186 1.528 1.00 64.13 N ATOM 1094 NH2 ARG A 70 20.409 5.525 0.911 1.00 55.51 N ATOM 0 H ARG A 70 17.789 -1.016 1.277 1.00 73.15 H new ATOM 0 HA ARG A 70 20.387 -0.908 2.311 1.00 31.43 H new ATOM 0 HB2 ARG A 70 18.081 0.738 2.134 1.00 20.01 H new ATOM 0 HB3 ARG A 70 18.476 0.661 3.839 1.00 20.01 H new ATOM 0 HG2 ARG A 70 19.745 2.481 3.164 1.00 55.23 H new ATOM 0 HG3 ARG A 70 20.924 1.189 3.052 1.00 55.23 H new ATOM 0 HD2 ARG A 70 20.909 1.172 0.729 1.00 3.04 H new ATOM 0 HD3 ARG A 70 19.250 1.728 0.622 1.00 3.04 H new ATOM 0 HE ARG A 70 21.626 3.375 0.632 1.00 62.51 H new ATOM 0 HH11 ARG A 70 18.261 3.258 1.695 1.00 64.13 H new ATOM 0 HH12 ARG A 70 18.072 5.014 1.670 1.00 64.13 H new ATOM 0 HH21 ARG A 70 21.376 5.628 0.603 1.00 55.51 H new ATOM 0 HH22 ARG A 70 19.828 6.351 1.054 1.00 55.51 H new ATOM 1108 N ARG A 71 18.089 -1.925 4.466 1.00 52.45 N ATOM 1109 CA ARG A 71 17.899 -2.617 5.735 1.00 43.53 C ATOM 1110 C ARG A 71 18.689 -3.922 5.766 1.00 44.42 C ATOM 1111 O ARG A 71 19.323 -4.250 6.768 1.00 31.41 O ATOM 1112 CB ARG A 71 16.414 -2.901 5.968 1.00 25.11 C ATOM 1113 CG ARG A 71 15.610 -1.668 6.347 1.00 23.44 C ATOM 1114 CD ARG A 71 16.104 -1.060 7.651 1.00 61.52 C ATOM 1115 NE ARG A 71 16.959 0.101 7.424 1.00 44.34 N ATOM 1116 CZ ARG A 71 16.516 1.258 6.944 1.00 71.22 C ATOM 1117 NH1 ARG A 71 15.233 1.406 6.643 1.00 42.32 N ATOM 1118 NH2 ARG A 71 17.356 2.269 6.765 1.00 41.13 N ATOM 0 H ARG A 71 17.223 -1.691 3.980 1.00 52.45 H new ATOM 0 HA ARG A 71 18.267 -1.971 6.532 1.00 43.53 H new ATOM 0 HB2 ARG A 71 15.990 -3.337 5.063 1.00 25.11 H new ATOM 0 HB3 ARG A 71 16.315 -3.646 6.758 1.00 25.11 H new ATOM 0 HG2 ARG A 71 15.679 -0.928 5.550 1.00 23.44 H new ATOM 0 HG3 ARG A 71 14.557 -1.934 6.444 1.00 23.44 H new ATOM 0 HD2 ARG A 71 15.249 -0.767 8.261 1.00 61.52 H new ATOM 0 HD3 ARG A 71 16.656 -1.812 8.215 1.00 61.52 H new ATOM 0 HE ARG A 71 17.951 0.020 7.646 1.00 44.34 H new ATOM 0 HH11 ARG A 71 14.584 0.631 6.780 1.00 42.32 H new ATOM 0 HH12 ARG A 71 14.895 2.295 6.275 1.00 42.32 H new ATOM 0 HH21 ARG A 71 18.343 2.159 6.996 1.00 41.13 H new ATOM 0 HH22 ARG A 71 17.015 3.157 6.396 1.00 41.13 H new ATOM 1132 N GLU A 72 18.646 -4.660 4.661 1.00 32.34 N ATOM 1133 CA GLU A 72 19.357 -5.930 4.564 1.00 54.33 C ATOM 1134 C GLU A 72 20.851 -5.737 4.807 1.00 52.35 C ATOM 1135 O GLU A 72 21.461 -6.455 5.598 1.00 30.44 O ATOM 1136 CB GLU A 72 19.130 -6.562 3.189 1.00 33.31 C ATOM 1137 CG GLU A 72 19.984 -7.794 2.937 1.00 13.52 C ATOM 1138 CD GLU A 72 19.271 -8.836 2.097 1.00 44.41 C ATOM 1139 OE1 GLU A 72 18.995 -8.553 0.912 1.00 33.41 O ATOM 1140 OE2 GLU A 72 18.990 -9.932 2.623 1.00 25.45 O ATOM 0 H GLU A 72 18.127 -4.401 3.822 1.00 32.34 H new ATOM 0 HA GLU A 72 18.965 -6.597 5.332 1.00 54.33 H new ATOM 0 HB2 GLU A 72 18.079 -6.833 3.092 1.00 33.31 H new ATOM 0 HB3 GLU A 72 19.340 -5.820 2.418 1.00 33.31 H new ATOM 0 HG2 GLU A 72 20.905 -7.497 2.436 1.00 13.52 H new ATOM 0 HG3 GLU A 72 20.269 -8.235 3.892 1.00 13.52 H new ATOM 1147 N LYS A 73 21.435 -4.761 4.119 1.00 73.22 N ATOM 1148 CA LYS A 73 22.857 -4.471 4.258 1.00 32.34 C ATOM 1149 C LYS A 73 23.214 -4.186 5.714 1.00 74.32 C ATOM 1150 O LYS A 73 24.276 -4.584 6.192 1.00 21.02 O ATOM 1151 CB LYS A 73 23.243 -3.276 3.384 1.00 32.02 C ATOM 1152 CG LYS A 73 23.607 -3.657 1.960 1.00 51.24 C ATOM 1153 CD LYS A 73 24.498 -2.609 1.313 1.00 75.43 C ATOM 1154 CE LYS A 73 23.678 -1.539 0.608 1.00 30.11 C ATOM 1155 NZ LYS A 73 23.939 -0.183 1.166 1.00 31.54 N ATOM 0 H LYS A 73 20.945 -4.157 3.459 1.00 73.22 H new ATOM 0 HA LYS A 73 23.415 -5.348 3.930 1.00 32.34 H new ATOM 0 HB2 LYS A 73 22.413 -2.570 3.361 1.00 32.02 H new ATOM 0 HB3 LYS A 73 24.088 -2.760 3.841 1.00 32.02 H new ATOM 0 HG2 LYS A 73 24.117 -4.620 1.959 1.00 51.24 H new ATOM 0 HG3 LYS A 73 22.698 -3.777 1.371 1.00 51.24 H new ATOM 0 HD2 LYS A 73 25.127 -2.145 2.073 1.00 75.43 H new ATOM 0 HD3 LYS A 73 25.165 -3.089 0.597 1.00 75.43 H new ATOM 0 HE2 LYS A 73 23.912 -1.545 -0.457 1.00 30.11 H new ATOM 0 HE3 LYS A 73 22.618 -1.773 0.703 1.00 30.11 H new ATOM 0 HZ1 LYS A 73 23.362 0.518 0.659 1.00 31.54 H new ATOM 0 HZ2 LYS A 73 23.692 -0.170 2.176 1.00 31.54 H new ATOM 0 HZ3 LYS A 73 24.946 0.051 1.053 1.00 31.54 H new ATOM 1169 N PHE A 74 22.319 -3.497 6.414 1.00 51.34 N ATOM 1170 CA PHE A 74 22.540 -3.159 7.815 1.00 35.20 C ATOM 1171 C PHE A 74 22.330 -4.379 8.708 1.00 65.04 C ATOM 1172 O PHE A 74 22.895 -4.469 9.797 1.00 41.01 O ATOM 1173 CB PHE A 74 21.598 -2.032 8.244 1.00 5.34 C ATOM 1174 CG PHE A 74 21.888 -1.500 9.619 1.00 70.10 C ATOM 1175 CD1 PHE A 74 23.114 -0.923 9.909 1.00 71.10 C ATOM 1176 CD2 PHE A 74 20.934 -1.577 10.621 1.00 41.20 C ATOM 1177 CE1 PHE A 74 23.383 -0.434 11.173 1.00 10.13 C ATOM 1178 CE2 PHE A 74 21.197 -1.089 11.887 1.00 4.11 C ATOM 1179 CZ PHE A 74 22.423 -0.516 12.163 1.00 2.32 C ATOM 0 H PHE A 74 21.434 -3.162 6.034 1.00 51.34 H new ATOM 0 HA PHE A 74 23.571 -2.823 7.924 1.00 35.20 H new ATOM 0 HB2 PHE A 74 21.669 -1.216 7.525 1.00 5.34 H new ATOM 0 HB3 PHE A 74 20.571 -2.396 8.213 1.00 5.34 H new ATOM 0 HD1 PHE A 74 23.868 -0.855 9.138 1.00 71.10 H new ATOM 0 HD2 PHE A 74 19.974 -2.024 10.410 1.00 41.20 H new ATOM 0 HE1 PHE A 74 24.343 0.012 11.387 1.00 10.13 H new ATOM 0 HE2 PHE A 74 20.445 -1.156 12.659 1.00 4.11 H new ATOM 0 HZ PHE A 74 22.631 -0.133 13.151 1.00 2.32 H new ATOM 1189 N GLY A 75 21.513 -5.317 8.237 1.00 44.52 N ATOM 1190 CA GLY A 75 21.243 -6.518 9.004 1.00 31.22 C ATOM 1191 C GLY A 75 19.783 -6.923 8.953 1.00 51.34 C ATOM 1192 O GLY A 75 18.936 -6.159 8.490 1.00 41.52 O ATOM 0 H GLY A 75 21.034 -5.266 7.338 1.00 44.52 H new ATOM 0 HA2 GLY A 75 21.857 -7.334 8.623 1.00 31.22 H new ATOM 0 HA3 GLY A 75 21.536 -6.356 10.041 1.00 31.22 H new ATOM 1196 N SER A 76 19.487 -8.128 9.428 1.00 64.45 N ATOM 1197 CA SER A 76 18.120 -8.636 9.429 1.00 42.55 C ATOM 1198 C SER A 76 17.527 -8.595 10.833 1.00 13.24 C ATOM 1199 O SER A 76 18.253 -8.614 11.827 1.00 42.41 O ATOM 1200 CB SER A 76 18.084 -10.067 8.889 1.00 41.53 C ATOM 1201 OG SER A 76 16.751 -10.532 8.767 1.00 23.41 O ATOM 0 H SER A 76 20.176 -8.772 9.818 1.00 64.45 H new ATOM 0 HA SER A 76 17.521 -7.996 8.781 1.00 42.55 H new ATOM 0 HB2 SER A 76 18.576 -10.105 7.917 1.00 41.53 H new ATOM 0 HB3 SER A 76 18.643 -10.725 9.555 1.00 41.53 H new ATOM 0 HG SER A 76 16.162 -9.781 8.545 1.00 23.41 H new ATOM 1207 N SER A 77 16.201 -8.539 10.907 1.00 13.25 N ATOM 1208 CA SER A 77 15.508 -8.491 12.190 1.00 60.52 C ATOM 1209 C SER A 77 14.001 -8.638 11.999 1.00 25.31 C ATOM 1210 O SER A 77 13.457 -8.274 10.957 1.00 71.24 O ATOM 1211 CB SER A 77 15.817 -7.178 12.912 1.00 73.51 C ATOM 1212 OG SER A 77 14.766 -6.243 12.741 1.00 60.14 O ATOM 0 H SER A 77 15.585 -8.526 10.094 1.00 13.25 H new ATOM 0 HA SER A 77 15.862 -9.323 12.798 1.00 60.52 H new ATOM 0 HB2 SER A 77 15.968 -7.370 13.974 1.00 73.51 H new ATOM 0 HB3 SER A 77 16.747 -6.759 12.529 1.00 73.51 H new ATOM 0 HG SER A 77 14.987 -5.413 13.213 1.00 60.14 H new ATOM 1218 N LYS A 78 13.333 -9.175 13.014 1.00 14.32 N ATOM 1219 CA LYS A 78 11.889 -9.370 12.962 1.00 54.22 C ATOM 1220 C LYS A 78 11.179 -8.077 12.573 1.00 73.14 C ATOM 1221 O LYS A 78 10.182 -8.099 11.852 1.00 72.33 O ATOM 1222 CB LYS A 78 11.370 -9.861 14.315 1.00 22.31 C ATOM 1223 CG LYS A 78 10.005 -10.522 14.240 1.00 74.01 C ATOM 1224 CD LYS A 78 10.012 -11.893 14.895 1.00 73.35 C ATOM 1225 CE LYS A 78 8.645 -12.248 15.461 1.00 43.42 C ATOM 1226 NZ LYS A 78 8.746 -12.838 16.824 1.00 21.22 N ATOM 0 H LYS A 78 13.769 -9.483 13.883 1.00 14.32 H new ATOM 0 HA LYS A 78 11.677 -10.123 12.203 1.00 54.22 H new ATOM 0 HB2 LYS A 78 12.085 -10.570 14.733 1.00 22.31 H new ATOM 0 HB3 LYS A 78 11.318 -9.017 15.003 1.00 22.31 H new ATOM 0 HG2 LYS A 78 9.265 -9.888 14.729 1.00 74.01 H new ATOM 0 HG3 LYS A 78 9.703 -10.618 13.197 1.00 74.01 H new ATOM 0 HD2 LYS A 78 10.311 -12.645 14.164 1.00 73.35 H new ATOM 0 HD3 LYS A 78 10.754 -11.912 15.694 1.00 73.35 H new ATOM 0 HE2 LYS A 78 8.023 -11.353 15.498 1.00 43.42 H new ATOM 0 HE3 LYS A 78 8.148 -12.954 14.795 1.00 43.42 H new ATOM 0 HZ1 LYS A 78 7.794 -13.066 17.175 1.00 21.22 H new ATOM 0 HZ2 LYS A 78 9.318 -13.706 16.785 1.00 21.22 H new ATOM 0 HZ3 LYS A 78 9.197 -12.155 17.466 1.00 21.22 H new ATOM 1240 N GLU A 79 11.700 -6.953 13.054 1.00 42.24 N ATOM 1241 CA GLU A 79 11.115 -5.651 12.754 1.00 22.04 C ATOM 1242 C GLU A 79 11.264 -5.315 11.273 1.00 20.23 C ATOM 1243 O GLU A 79 10.334 -4.809 10.644 1.00 21.15 O ATOM 1244 CB GLU A 79 11.775 -4.563 13.604 1.00 22.11 C ATOM 1245 CG GLU A 79 11.940 -4.948 15.065 1.00 51.22 C ATOM 1246 CD GLU A 79 10.700 -5.605 15.638 1.00 33.33 C ATOM 1247 OE1 GLU A 79 9.770 -4.872 16.034 1.00 15.02 O ATOM 1248 OE2 GLU A 79 10.659 -6.852 15.692 1.00 62.14 O ATOM 0 H GLU A 79 12.525 -6.917 13.652 1.00 42.24 H new ATOM 0 HA GLU A 79 10.052 -5.695 12.993 1.00 22.04 H new ATOM 0 HB2 GLU A 79 12.754 -4.331 13.185 1.00 22.11 H new ATOM 0 HB3 GLU A 79 11.178 -3.653 13.542 1.00 22.11 H new ATOM 0 HG2 GLU A 79 12.786 -5.628 15.164 1.00 51.22 H new ATOM 0 HG3 GLU A 79 12.177 -4.057 15.647 1.00 51.22 H new ATOM 1255 N ILE A 80 12.440 -5.600 10.723 1.00 14.24 N ATOM 1256 CA ILE A 80 12.710 -5.329 9.317 1.00 3.20 C ATOM 1257 C ILE A 80 11.865 -6.220 8.413 1.00 43.21 C ATOM 1258 O ILE A 80 11.108 -5.731 7.574 1.00 4.30 O ATOM 1259 CB ILE A 80 14.198 -5.538 8.980 1.00 63.15 C ATOM 1260 CG1 ILE A 80 15.073 -4.630 9.846 1.00 30.14 C ATOM 1261 CG2 ILE A 80 14.449 -5.272 7.503 1.00 41.42 C ATOM 1262 CD1 ILE A 80 14.746 -3.160 9.704 1.00 75.24 C ATOM 0 H ILE A 80 13.220 -6.018 11.230 1.00 14.24 H new ATOM 0 HA ILE A 80 12.449 -4.286 9.141 1.00 3.20 H new ATOM 0 HB ILE A 80 14.461 -6.574 9.193 1.00 63.15 H new ATOM 0 HG12 ILE A 80 14.960 -4.920 10.891 1.00 30.14 H new ATOM 0 HG13 ILE A 80 16.119 -4.788 9.583 1.00 30.14 H new ATOM 0 HG21 ILE A 80 15.505 -5.424 7.280 1.00 41.42 H new ATOM 0 HG22 ILE A 80 13.850 -5.957 6.903 1.00 41.42 H new ATOM 0 HG23 ILE A 80 14.172 -4.245 7.266 1.00 41.42 H new ATOM 0 HD11 ILE A 80 15.406 -2.577 10.347 1.00 75.24 H new ATOM 0 HD12 ILE A 80 14.886 -2.855 8.667 1.00 75.24 H new ATOM 0 HD13 ILE A 80 13.710 -2.988 9.996 1.00 75.24 H new ATOM 1274 N ASP A 81 11.998 -7.529 8.591 1.00 64.42 N ATOM 1275 CA ASP A 81 11.245 -8.490 7.793 1.00 11.11 C ATOM 1276 C ASP A 81 9.750 -8.195 7.858 1.00 75.44 C ATOM 1277 O ASP A 81 9.051 -8.254 6.846 1.00 44.41 O ATOM 1278 CB ASP A 81 11.518 -9.914 8.279 1.00 63.34 C ATOM 1279 CG ASP A 81 12.940 -10.360 7.996 1.00 54.51 C ATOM 1280 OD1 ASP A 81 13.848 -9.503 8.031 1.00 22.12 O ATOM 1281 OD2 ASP A 81 13.144 -11.565 7.740 1.00 13.53 O ATOM 0 H ASP A 81 12.620 -7.950 9.281 1.00 64.42 H new ATOM 0 HA ASP A 81 11.571 -8.400 6.757 1.00 11.11 H new ATOM 0 HB2 ASP A 81 11.329 -9.971 9.351 1.00 63.34 H new ATOM 0 HB3 ASP A 81 10.822 -10.600 7.795 1.00 63.34 H new ATOM 1286 N MET A 82 9.265 -7.880 9.054 1.00 32.43 N ATOM 1287 CA MET A 82 7.852 -7.577 9.250 1.00 11.14 C ATOM 1288 C MET A 82 7.453 -6.322 8.480 1.00 64.33 C ATOM 1289 O MET A 82 6.347 -6.235 7.948 1.00 41.41 O ATOM 1290 CB MET A 82 7.550 -7.393 10.739 1.00 54.22 C ATOM 1291 CG MET A 82 7.368 -8.703 11.488 1.00 12.55 C ATOM 1292 SD MET A 82 7.110 -8.461 13.257 1.00 43.24 S ATOM 1293 CE MET A 82 5.405 -8.983 13.425 1.00 24.30 C ATOM 0 H MET A 82 9.829 -7.828 9.902 1.00 32.43 H new ATOM 0 HA MET A 82 7.270 -8.416 8.869 1.00 11.14 H new ATOM 0 HB2 MET A 82 8.362 -6.830 11.199 1.00 54.22 H new ATOM 0 HB3 MET A 82 6.646 -6.794 10.847 1.00 54.22 H new ATOM 0 HG2 MET A 82 6.517 -9.241 11.071 1.00 12.55 H new ATOM 0 HG3 MET A 82 8.247 -9.330 11.335 1.00 12.55 H new ATOM 0 HE1 MET A 82 5.097 -8.891 14.467 1.00 24.30 H new ATOM 0 HE2 MET A 82 4.769 -8.354 12.802 1.00 24.30 H new ATOM 0 HE3 MET A 82 5.310 -10.022 13.109 1.00 24.30 H new ATOM 1303 N ALA A 83 8.362 -5.354 8.424 1.00 52.20 N ATOM 1304 CA ALA A 83 8.105 -4.105 7.717 1.00 60.31 C ATOM 1305 C ALA A 83 7.836 -4.358 6.237 1.00 11.33 C ATOM 1306 O ALA A 83 6.832 -3.898 5.693 1.00 74.55 O ATOM 1307 CB ALA A 83 9.278 -3.152 7.887 1.00 43.42 C ATOM 0 H ALA A 83 9.283 -5.411 8.860 1.00 52.20 H new ATOM 0 HA ALA A 83 7.214 -3.648 8.148 1.00 60.31 H new ATOM 0 HB1 ALA A 83 9.073 -2.224 7.354 1.00 43.42 H new ATOM 0 HB2 ALA A 83 9.423 -2.938 8.946 1.00 43.42 H new ATOM 0 HB3 ALA A 83 10.181 -3.610 7.483 1.00 43.42 H new ATOM 1313 N ILE A 84 8.739 -5.089 5.593 1.00 51.01 N ATOM 1314 CA ILE A 84 8.598 -5.402 4.176 1.00 33.03 C ATOM 1315 C ILE A 84 7.303 -6.161 3.907 1.00 14.24 C ATOM 1316 O ILE A 84 6.611 -5.900 2.923 1.00 34.21 O ATOM 1317 CB ILE A 84 9.785 -6.238 3.663 1.00 2.14 C ATOM 1318 CG1 ILE A 84 11.107 -5.545 3.998 1.00 4.32 C ATOM 1319 CG2 ILE A 84 9.665 -6.465 2.164 1.00 53.21 C ATOM 1320 CD1 ILE A 84 11.223 -4.152 3.419 1.00 10.15 C ATOM 0 H ILE A 84 9.576 -5.476 6.029 1.00 51.01 H new ATOM 0 HA ILE A 84 8.577 -4.451 3.644 1.00 33.03 H new ATOM 0 HB ILE A 84 9.768 -7.208 4.160 1.00 2.14 H new ATOM 0 HG12 ILE A 84 11.214 -5.490 5.081 1.00 4.32 H new ATOM 0 HG13 ILE A 84 11.931 -6.154 3.627 1.00 4.32 H new ATOM 0 HG21 ILE A 84 10.512 -7.057 1.817 1.00 53.21 H new ATOM 0 HG22 ILE A 84 8.738 -6.996 1.950 1.00 53.21 H new ATOM 0 HG23 ILE A 84 9.660 -5.504 1.650 1.00 53.21 H new ATOM 0 HD11 ILE A 84 12.185 -3.722 3.697 1.00 10.15 H new ATOM 0 HD12 ILE A 84 11.148 -4.202 2.333 1.00 10.15 H new ATOM 0 HD13 ILE A 84 10.420 -3.527 3.810 1.00 10.15 H new ATOM 1332 N VAL A 85 6.979 -7.100 4.790 1.00 23.34 N ATOM 1333 CA VAL A 85 5.765 -7.896 4.651 1.00 43.44 C ATOM 1334 C VAL A 85 4.528 -7.006 4.601 1.00 22.10 C ATOM 1335 O VAL A 85 3.669 -7.165 3.733 1.00 31.33 O ATOM 1336 CB VAL A 85 5.616 -8.900 5.809 1.00 72.03 C ATOM 1337 CG1 VAL A 85 4.328 -9.696 5.663 1.00 54.42 C ATOM 1338 CG2 VAL A 85 6.821 -9.827 5.868 1.00 13.24 C ATOM 0 H VAL A 85 7.541 -7.328 5.610 1.00 23.34 H new ATOM 0 HA VAL A 85 5.852 -8.446 3.714 1.00 43.44 H new ATOM 0 HB VAL A 85 5.567 -8.344 6.745 1.00 72.03 H new ATOM 0 HG11 VAL A 85 4.240 -10.400 6.490 1.00 54.42 H new ATOM 0 HG12 VAL A 85 3.477 -9.016 5.673 1.00 54.42 H new ATOM 0 HG13 VAL A 85 4.343 -10.243 4.721 1.00 54.42 H new ATOM 0 HG21 VAL A 85 6.699 -10.530 6.692 1.00 13.24 H new ATOM 0 HG22 VAL A 85 6.903 -10.377 4.931 1.00 13.24 H new ATOM 0 HG23 VAL A 85 7.725 -9.239 6.024 1.00 13.24 H new ATOM 1348 N THR A 86 4.443 -6.067 5.538 1.00 2.03 N ATOM 1349 CA THR A 86 3.311 -5.152 5.603 1.00 41.54 C ATOM 1350 C THR A 86 3.184 -4.344 4.316 1.00 14.53 C ATOM 1351 O THR A 86 2.083 -4.157 3.794 1.00 25.24 O ATOM 1352 CB THR A 86 3.439 -4.183 6.793 1.00 12.24 C ATOM 1353 OG1 THR A 86 4.467 -3.221 6.534 1.00 3.12 O ATOM 1354 CG2 THR A 86 3.756 -4.939 8.075 1.00 70.14 C ATOM 0 H THR A 86 5.146 -5.920 6.263 1.00 2.03 H new ATOM 0 HA THR A 86 2.418 -5.763 5.736 1.00 41.54 H new ATOM 0 HB THR A 86 2.486 -3.670 6.919 1.00 12.24 H new ATOM 0 HG1 THR A 86 5.286 -3.683 6.259 1.00 3.12 H new ATOM 0 HG21 THR A 86 3.842 -4.234 8.902 1.00 70.14 H new ATOM 0 HG22 THR A 86 2.957 -5.649 8.286 1.00 70.14 H new ATOM 0 HG23 THR A 86 4.697 -5.476 7.957 1.00 70.14 H new ATOM 1362 N LEU A 87 4.315 -3.866 3.809 1.00 75.14 N ATOM 1363 CA LEU A 87 4.329 -3.078 2.581 1.00 5.12 C ATOM 1364 C LEU A 87 3.723 -3.863 1.422 1.00 3.14 C ATOM 1365 O LEU A 87 2.990 -3.312 0.601 1.00 32.12 O ATOM 1366 CB LEU A 87 5.760 -2.661 2.237 1.00 65.33 C ATOM 1367 CG LEU A 87 6.032 -1.157 2.202 1.00 53.11 C ATOM 1368 CD1 LEU A 87 5.350 -0.519 1.001 1.00 24.30 C ATOM 1369 CD2 LEU A 87 5.565 -0.501 3.493 1.00 14.20 C ATOM 0 H LEU A 87 5.234 -4.010 4.229 1.00 75.14 H new ATOM 0 HA LEU A 87 3.726 -2.185 2.744 1.00 5.12 H new ATOM 0 HB2 LEU A 87 6.434 -3.115 2.964 1.00 65.33 H new ATOM 0 HB3 LEU A 87 6.014 -3.078 1.263 1.00 65.33 H new ATOM 0 HG LEU A 87 7.107 -1.003 2.108 1.00 53.11 H new ATOM 0 HD11 LEU A 87 5.555 0.552 0.993 1.00 24.30 H new ATOM 0 HD12 LEU A 87 5.732 -0.969 0.084 1.00 24.30 H new ATOM 0 HD13 LEU A 87 4.274 -0.682 1.064 1.00 24.30 H new ATOM 0 HD21 LEU A 87 5.766 0.569 3.451 1.00 14.20 H new ATOM 0 HD22 LEU A 87 4.495 -0.664 3.618 1.00 14.20 H new ATOM 0 HD23 LEU A 87 6.099 -0.938 4.337 1.00 14.20 H new ATOM 1381 N LYS A 88 4.033 -5.154 1.363 1.00 12.31 N ATOM 1382 CA LYS A 88 3.517 -6.017 0.308 1.00 75.14 C ATOM 1383 C LYS A 88 2.019 -6.249 0.479 1.00 73.44 C ATOM 1384 O LYS A 88 1.221 -5.888 -0.387 1.00 64.21 O ATOM 1385 CB LYS A 88 4.255 -7.358 0.310 1.00 12.50 C ATOM 1386 CG LYS A 88 5.767 -7.219 0.337 1.00 41.12 C ATOM 1387 CD LYS A 88 6.411 -7.899 -0.860 1.00 32.43 C ATOM 1388 CE LYS A 88 7.927 -7.920 -0.740 1.00 51.23 C ATOM 1389 NZ LYS A 88 8.542 -6.673 -1.274 1.00 62.34 N ATOM 0 H LYS A 88 4.639 -5.625 2.034 1.00 12.31 H new ATOM 0 HA LYS A 88 3.683 -5.519 -0.647 1.00 75.14 H new ATOM 0 HB2 LYS A 88 3.936 -7.938 1.176 1.00 12.50 H new ATOM 0 HB3 LYS A 88 3.966 -7.924 -0.576 1.00 12.50 H new ATOM 0 HG2 LYS A 88 6.036 -6.163 0.345 1.00 41.12 H new ATOM 0 HG3 LYS A 88 6.157 -7.654 1.257 1.00 41.12 H new ATOM 0 HD2 LYS A 88 6.037 -8.920 -0.945 1.00 32.43 H new ATOM 0 HD3 LYS A 88 6.124 -7.378 -1.774 1.00 32.43 H new ATOM 0 HE2 LYS A 88 8.207 -8.044 0.306 1.00 51.23 H new ATOM 0 HE3 LYS A 88 8.322 -8.780 -1.280 1.00 51.23 H new ATOM 0 HZ1 LYS A 88 9.147 -6.905 -2.087 1.00 62.34 H new ATOM 0 HZ2 LYS A 88 7.793 -6.018 -1.576 1.00 62.34 H new ATOM 0 HZ3 LYS A 88 9.116 -6.224 -0.532 1.00 62.34 H new ATOM 1403 N VAL A 89 1.642 -6.853 1.601 1.00 24.34 N ATOM 1404 CA VAL A 89 0.240 -7.131 1.887 1.00 30.21 C ATOM 1405 C VAL A 89 -0.611 -5.875 1.737 1.00 61.24 C ATOM 1406 O VAL A 89 -1.719 -5.923 1.202 1.00 20.22 O ATOM 1407 CB VAL A 89 0.058 -7.694 3.309 1.00 33.21 C ATOM 1408 CG1 VAL A 89 -1.385 -8.119 3.535 1.00 54.25 C ATOM 1409 CG2 VAL A 89 1.008 -8.858 3.547 1.00 72.23 C ATOM 0 H VAL A 89 2.289 -7.160 2.328 1.00 24.34 H new ATOM 0 HA VAL A 89 -0.088 -7.878 1.164 1.00 30.21 H new ATOM 0 HB VAL A 89 0.297 -6.908 4.025 1.00 33.21 H new ATOM 0 HG11 VAL A 89 -1.494 -8.514 4.545 1.00 54.25 H new ATOM 0 HG12 VAL A 89 -2.042 -7.258 3.409 1.00 54.25 H new ATOM 0 HG13 VAL A 89 -1.655 -8.890 2.813 1.00 54.25 H new ATOM 0 HG21 VAL A 89 0.866 -9.243 4.557 1.00 72.23 H new ATOM 0 HG22 VAL A 89 0.803 -9.648 2.825 1.00 72.23 H new ATOM 0 HG23 VAL A 89 2.037 -8.518 3.430 1.00 72.23 H new ATOM 1419 N PHE A 90 -0.085 -4.751 2.211 1.00 11.31 N ATOM 1420 CA PHE A 90 -0.797 -3.480 2.130 1.00 25.40 C ATOM 1421 C PHE A 90 -0.898 -3.005 0.684 1.00 70.24 C ATOM 1422 O PHE A 90 -1.907 -2.429 0.278 1.00 44.42 O ATOM 1423 CB PHE A 90 -0.090 -2.421 2.978 1.00 11.13 C ATOM 1424 CG PHE A 90 -0.622 -1.032 2.768 1.00 33.24 C ATOM 1425 CD1 PHE A 90 -1.987 -0.796 2.741 1.00 74.11 C ATOM 1426 CD2 PHE A 90 0.242 0.037 2.599 1.00 2.22 C ATOM 1427 CE1 PHE A 90 -2.480 0.481 2.547 1.00 23.31 C ATOM 1428 CE2 PHE A 90 -0.244 1.316 2.405 1.00 13.44 C ATOM 1429 CZ PHE A 90 -1.607 1.538 2.380 1.00 11.44 C ATOM 0 H PHE A 90 0.831 -4.694 2.655 1.00 11.31 H new ATOM 0 HA PHE A 90 -1.805 -3.631 2.516 1.00 25.40 H new ATOM 0 HB2 PHE A 90 -0.190 -2.684 4.031 1.00 11.13 H new ATOM 0 HB3 PHE A 90 0.975 -2.433 2.746 1.00 11.13 H new ATOM 0 HD1 PHE A 90 -2.674 -1.619 2.873 1.00 74.11 H new ATOM 0 HD2 PHE A 90 1.309 -0.131 2.619 1.00 2.22 H new ATOM 0 HE1 PHE A 90 -3.546 0.652 2.526 1.00 23.31 H new ATOM 0 HE2 PHE A 90 0.441 2.141 2.273 1.00 13.44 H new ATOM 0 HZ PHE A 90 -1.990 2.537 2.230 1.00 11.44 H new ATOM 1439 N ALA A 91 0.155 -3.252 -0.089 1.00 51.51 N ATOM 1440 CA ALA A 91 0.185 -2.851 -1.490 1.00 54.22 C ATOM 1441 C ALA A 91 -0.862 -3.608 -2.300 1.00 71.22 C ATOM 1442 O ALA A 91 -1.603 -3.016 -3.085 1.00 2.41 O ATOM 1443 CB ALA A 91 1.571 -3.076 -2.074 1.00 64.23 C ATOM 0 H ALA A 91 0.998 -3.728 0.232 1.00 51.51 H new ATOM 0 HA ALA A 91 -0.051 -1.788 -1.543 1.00 54.22 H new ATOM 0 HB1 ALA A 91 1.578 -2.772 -3.121 1.00 64.23 H new ATOM 0 HB2 ALA A 91 2.300 -2.485 -1.519 1.00 64.23 H new ATOM 0 HB3 ALA A 91 1.829 -4.132 -2.001 1.00 64.23 H new ATOM 1449 N VAL A 92 -0.918 -4.922 -2.105 1.00 64.05 N ATOM 1450 CA VAL A 92 -1.874 -5.761 -2.818 1.00 12.32 C ATOM 1451 C VAL A 92 -3.278 -5.602 -2.244 1.00 62.24 C ATOM 1452 O VAL A 92 -4.213 -5.237 -2.956 1.00 45.53 O ATOM 1453 CB VAL A 92 -1.472 -7.246 -2.758 1.00 23.20 C ATOM 1454 CG1 VAL A 92 -2.367 -8.079 -3.662 1.00 72.15 C ATOM 1455 CG2 VAL A 92 -0.009 -7.417 -3.138 1.00 62.24 C ATOM 0 H VAL A 92 -0.312 -5.428 -1.459 1.00 64.05 H new ATOM 0 HA VAL A 92 -1.870 -5.433 -3.858 1.00 12.32 H new ATOM 0 HB VAL A 92 -1.602 -7.598 -1.735 1.00 23.20 H new ATOM 0 HG11 VAL A 92 -2.067 -9.126 -3.606 1.00 72.15 H new ATOM 0 HG12 VAL A 92 -3.403 -7.980 -3.339 1.00 72.15 H new ATOM 0 HG13 VAL A 92 -2.273 -7.729 -4.690 1.00 72.15 H new ATOM 0 HG21 VAL A 92 0.258 -8.473 -3.090 1.00 62.24 H new ATOM 0 HG22 VAL A 92 0.149 -7.048 -4.151 1.00 62.24 H new ATOM 0 HG23 VAL A 92 0.615 -6.853 -2.445 1.00 62.24 H new ATOM 1465 N ALA A 93 -3.418 -5.880 -0.952 1.00 41.52 N ATOM 1466 CA ALA A 93 -4.707 -5.765 -0.282 1.00 31.32 C ATOM 1467 C ALA A 93 -5.230 -4.334 -0.337 1.00 41.14 C ATOM 1468 O ALA A 93 -6.416 -4.087 -0.125 1.00 74.34 O ATOM 1469 CB ALA A 93 -4.595 -6.232 1.162 1.00 65.41 C ATOM 0 H ALA A 93 -2.655 -6.186 -0.349 1.00 41.52 H new ATOM 0 HA ALA A 93 -5.418 -6.404 -0.806 1.00 31.32 H new ATOM 0 HB1 ALA A 93 -5.565 -6.141 1.650 1.00 65.41 H new ATOM 0 HB2 ALA A 93 -4.275 -7.274 1.184 1.00 65.41 H new ATOM 0 HB3 ALA A 93 -3.865 -5.617 1.688 1.00 65.41 H new ATOM 1475 N GLY A 94 -4.335 -3.393 -0.624 1.00 14.44 N ATOM 1476 CA GLY A 94 -4.726 -1.997 -0.701 1.00 31.01 C ATOM 1477 C GLY A 94 -4.896 -1.521 -2.130 1.00 4.31 C ATOM 1478 O GLY A 94 -6.017 -1.302 -2.590 1.00 42.44 O ATOM 0 H GLY A 94 -3.347 -3.572 -0.804 1.00 14.44 H new ATOM 0 HA2 GLY A 94 -5.661 -1.854 -0.160 1.00 31.01 H new ATOM 0 HA3 GLY A 94 -3.974 -1.384 -0.204 1.00 31.01 H new ATOM 1482 N LEU A 95 -3.781 -1.358 -2.834 1.00 23.13 N ATOM 1483 CA LEU A 95 -3.810 -0.903 -4.219 1.00 52.42 C ATOM 1484 C LEU A 95 -4.646 -1.841 -5.083 1.00 61.44 C ATOM 1485 O LEU A 95 -5.441 -1.397 -5.912 1.00 51.34 O ATOM 1486 CB LEU A 95 -2.389 -0.808 -4.776 1.00 64.41 C ATOM 1487 CG LEU A 95 -1.353 -0.147 -3.866 1.00 35.04 C ATOM 1488 CD1 LEU A 95 -0.008 -0.050 -4.569 1.00 35.14 C ATOM 1489 CD2 LEU A 95 -1.830 1.231 -3.429 1.00 62.23 C ATOM 0 H LEU A 95 -2.845 -1.534 -2.468 1.00 23.13 H new ATOM 0 HA LEU A 95 -4.268 0.086 -4.241 1.00 52.42 H new ATOM 0 HB2 LEU A 95 -2.045 -1.815 -5.013 1.00 64.41 H new ATOM 0 HB3 LEU A 95 -2.424 -0.254 -5.714 1.00 64.41 H new ATOM 0 HG LEU A 95 -1.230 -0.766 -2.977 1.00 35.04 H new ATOM 0 HD11 LEU A 95 0.716 0.423 -3.906 1.00 35.14 H new ATOM 0 HD12 LEU A 95 0.339 -1.050 -4.831 1.00 35.14 H new ATOM 0 HD13 LEU A 95 -0.113 0.546 -5.475 1.00 35.14 H new ATOM 0 HD21 LEU A 95 -1.081 1.687 -2.782 1.00 62.23 H new ATOM 0 HD22 LEU A 95 -1.982 1.859 -4.307 1.00 62.23 H new ATOM 0 HD23 LEU A 95 -2.769 1.135 -2.885 1.00 62.23 H new ATOM 1501 N LEU A 96 -4.462 -3.142 -4.883 1.00 55.20 N ATOM 1502 CA LEU A 96 -5.201 -4.145 -5.642 1.00 53.43 C ATOM 1503 C LEU A 96 -6.508 -4.504 -4.942 1.00 61.23 C ATOM 1504 O LEU A 96 -7.328 -5.246 -5.481 1.00 13.11 O ATOM 1505 CB LEU A 96 -4.348 -5.400 -5.831 1.00 74.33 C ATOM 1506 CG LEU A 96 -4.233 -5.924 -7.263 1.00 73.42 C ATOM 1507 CD1 LEU A 96 -5.605 -6.285 -7.812 1.00 12.15 C ATOM 1508 CD2 LEU A 96 -3.554 -4.895 -8.155 1.00 32.02 C ATOM 0 H LEU A 96 -3.808 -3.527 -4.202 1.00 55.20 H new ATOM 0 HA LEU A 96 -5.438 -3.724 -6.619 1.00 53.43 H new ATOM 0 HB2 LEU A 96 -3.344 -5.192 -5.460 1.00 74.33 H new ATOM 0 HB3 LEU A 96 -4.761 -6.193 -5.207 1.00 74.33 H new ATOM 0 HG LEU A 96 -3.621 -6.826 -7.251 1.00 73.42 H new ATOM 0 HD11 LEU A 96 -5.503 -6.656 -8.832 1.00 12.15 H new ATOM 0 HD12 LEU A 96 -6.055 -7.058 -7.188 1.00 12.15 H new ATOM 0 HD13 LEU A 96 -6.242 -5.401 -7.810 1.00 12.15 H new ATOM 0 HD21 LEU A 96 -3.481 -5.285 -9.170 1.00 32.02 H new ATOM 0 HD22 LEU A 96 -4.140 -3.976 -8.161 1.00 32.02 H new ATOM 0 HD23 LEU A 96 -2.554 -4.686 -7.774 1.00 32.02 H new ATOM 1520 N ASN A 97 -6.695 -3.971 -3.739 1.00 62.21 N ATOM 1521 CA ASN A 97 -7.903 -4.235 -2.966 1.00 2.43 C ATOM 1522 C ASN A 97 -8.167 -5.734 -2.863 1.00 1.30 C ATOM 1523 O ASN A 97 -9.315 -6.167 -2.772 1.00 31.01 O ATOM 1524 CB ASN A 97 -9.105 -3.536 -3.605 1.00 21.33 C ATOM 1525 CG ASN A 97 -8.743 -2.187 -4.195 1.00 13.24 C ATOM 1526 OD1 ASN A 97 -8.433 -2.079 -5.381 1.00 42.30 O ATOM 1527 ND2 ASN A 97 -8.782 -1.150 -3.366 1.00 42.42 N ATOM 0 H ASN A 97 -6.026 -3.354 -3.279 1.00 62.21 H new ATOM 0 HA ASN A 97 -7.754 -3.841 -1.961 1.00 2.43 H new ATOM 0 HB2 ASN A 97 -9.518 -4.173 -4.387 1.00 21.33 H new ATOM 0 HB3 ASN A 97 -9.886 -3.404 -2.856 1.00 21.33 H new ATOM 0 HD21 ASN A 97 -8.549 -0.217 -3.705 1.00 42.42 H new ATOM 0 HD22 ASN A 97 -9.045 -1.287 -2.390 1.00 42.42 H new ATOM 1534 N MET A 98 -7.096 -6.520 -2.878 1.00 24.11 N ATOM 1535 CA MET A 98 -7.212 -7.971 -2.784 1.00 44.25 C ATOM 1536 C MET A 98 -6.628 -8.479 -1.470 1.00 61.32 C ATOM 1537 O MET A 98 -5.467 -8.886 -1.410 1.00 71.42 O ATOM 1538 CB MET A 98 -6.501 -8.638 -3.964 1.00 4.43 C ATOM 1539 CG MET A 98 -7.383 -8.803 -5.191 1.00 3.44 C ATOM 1540 SD MET A 98 -6.825 -10.132 -6.273 1.00 60.23 S ATOM 1541 CE MET A 98 -7.911 -11.462 -5.763 1.00 72.05 C ATOM 0 H MET A 98 -6.138 -6.177 -2.954 1.00 24.11 H new ATOM 0 HA MET A 98 -8.271 -8.229 -2.814 1.00 44.25 H new ATOM 0 HB2 MET A 98 -5.626 -8.046 -4.232 1.00 4.43 H new ATOM 0 HB3 MET A 98 -6.139 -9.618 -3.653 1.00 4.43 H new ATOM 0 HG2 MET A 98 -8.406 -9.003 -4.874 1.00 3.44 H new ATOM 0 HG3 MET A 98 -7.400 -7.867 -5.750 1.00 3.44 H new ATOM 0 HE1 MET A 98 -7.688 -12.357 -6.344 1.00 72.05 H new ATOM 0 HE2 MET A 98 -7.759 -11.670 -4.704 1.00 72.05 H new ATOM 0 HE3 MET A 98 -8.948 -11.170 -5.931 1.00 72.05 H new ATOM 1551 N THR A 99 -7.440 -8.453 -0.418 1.00 23.24 N ATOM 1552 CA THR A 99 -7.003 -8.910 0.896 1.00 53.03 C ATOM 1553 C THR A 99 -6.574 -10.372 0.855 1.00 70.13 C ATOM 1554 O THR A 99 -7.408 -11.276 0.907 1.00 20.23 O ATOM 1555 CB THR A 99 -8.116 -8.743 1.947 1.00 15.12 C ATOM 1556 OG1 THR A 99 -8.613 -7.400 1.926 1.00 50.03 O ATOM 1557 CG2 THR A 99 -7.601 -9.076 3.339 1.00 63.10 C ATOM 0 H THR A 99 -8.404 -8.120 -0.450 1.00 23.24 H new ATOM 0 HA THR A 99 -6.151 -8.292 1.178 1.00 53.03 H new ATOM 0 HB THR A 99 -8.923 -9.433 1.701 1.00 15.12 H new ATOM 0 HG1 THR A 99 -9.098 -7.217 2.758 1.00 50.03 H new ATOM 0 HG21 THR A 99 -8.405 -8.951 4.064 1.00 63.10 H new ATOM 0 HG22 THR A 99 -7.251 -10.108 3.360 1.00 63.10 H new ATOM 0 HG23 THR A 99 -6.777 -8.408 3.592 1.00 63.10 H new ATOM 1565 N VAL A 100 -5.267 -10.598 0.761 1.00 34.11 N ATOM 1566 CA VAL A 100 -4.727 -11.952 0.715 1.00 51.51 C ATOM 1567 C VAL A 100 -5.147 -12.753 1.942 1.00 75.24 C ATOM 1568 O VAL A 100 -5.871 -12.255 2.804 1.00 50.33 O ATOM 1569 CB VAL A 100 -3.189 -11.939 0.625 1.00 35.25 C ATOM 1570 CG1 VAL A 100 -2.739 -11.534 -0.770 1.00 22.13 C ATOM 1571 CG2 VAL A 100 -2.603 -11.008 1.676 1.00 64.24 C ATOM 0 H VAL A 100 -4.563 -9.861 0.715 1.00 34.11 H new ATOM 0 HA VAL A 100 -5.132 -12.425 -0.180 1.00 51.51 H new ATOM 0 HB VAL A 100 -2.822 -12.947 0.820 1.00 35.25 H new ATOM 0 HG11 VAL A 100 -1.650 -11.530 -0.814 1.00 22.13 H new ATOM 0 HG12 VAL A 100 -3.130 -12.244 -1.499 1.00 22.13 H new ATOM 0 HG13 VAL A 100 -3.115 -10.537 -0.998 1.00 22.13 H new ATOM 0 HG21 VAL A 100 -1.516 -11.011 1.599 1.00 64.24 H new ATOM 0 HG22 VAL A 100 -2.976 -9.997 1.515 1.00 64.24 H new ATOM 0 HG23 VAL A 100 -2.897 -11.349 2.669 1.00 64.24 H new ATOM 1581 N SER A 101 -4.688 -13.999 2.014 1.00 55.43 N ATOM 1582 CA SER A 101 -5.020 -14.872 3.134 1.00 45.42 C ATOM 1583 C SER A 101 -3.944 -14.802 4.213 1.00 3.13 C ATOM 1584 O SER A 101 -4.246 -14.751 5.406 1.00 2.51 O ATOM 1585 CB SER A 101 -5.182 -16.315 2.652 1.00 12.33 C ATOM 1586 OG SER A 101 -4.774 -16.451 1.302 1.00 55.20 O ATOM 0 H SER A 101 -4.086 -14.426 1.310 1.00 55.43 H new ATOM 0 HA SER A 101 -5.963 -14.532 3.562 1.00 45.42 H new ATOM 0 HB2 SER A 101 -4.592 -16.981 3.282 1.00 12.33 H new ATOM 0 HB3 SER A 101 -6.223 -16.621 2.753 1.00 12.33 H new ATOM 0 HG SER A 101 -4.886 -17.382 1.019 1.00 55.20 H new ATOM 1592 N THR A 102 -2.685 -14.801 3.786 1.00 3.31 N ATOM 1593 CA THR A 102 -1.563 -14.739 4.714 1.00 3.42 C ATOM 1594 C THR A 102 -0.493 -13.771 4.220 1.00 34.03 C ATOM 1595 O THR A 102 -0.486 -13.382 3.053 1.00 74.22 O ATOM 1596 CB THR A 102 -0.927 -16.126 4.921 1.00 72.51 C ATOM 1597 OG1 THR A 102 -0.147 -16.484 3.774 1.00 14.23 O ATOM 1598 CG2 THR A 102 -1.997 -17.181 5.162 1.00 63.02 C ATOM 0 H THR A 102 -2.417 -14.842 2.803 1.00 3.31 H new ATOM 0 HA THR A 102 -1.960 -14.384 5.665 1.00 3.42 H new ATOM 0 HB THR A 102 -0.282 -16.078 5.798 1.00 72.51 H new ATOM 0 HG1 THR A 102 0.255 -17.366 3.914 1.00 14.23 H new ATOM 0 HG21 THR A 102 -1.524 -18.153 5.306 1.00 63.02 H new ATOM 0 HG22 THR A 102 -2.570 -16.921 6.052 1.00 63.02 H new ATOM 0 HG23 THR A 102 -2.664 -17.226 4.301 1.00 63.02 H new ATOM 1606 N ALA A 103 0.409 -13.386 5.116 1.00 24.35 N ATOM 1607 CA ALA A 103 1.485 -12.466 4.770 1.00 24.03 C ATOM 1608 C ALA A 103 2.323 -13.009 3.618 1.00 71.35 C ATOM 1609 O ALA A 103 2.720 -12.265 2.721 1.00 15.05 O ATOM 1610 CB ALA A 103 2.364 -12.200 5.984 1.00 73.50 C ATOM 0 H ALA A 103 0.416 -13.697 6.087 1.00 24.35 H new ATOM 0 HA ALA A 103 1.036 -11.527 4.447 1.00 24.03 H new ATOM 0 HB1 ALA A 103 3.163 -11.511 5.711 1.00 73.50 H new ATOM 0 HB2 ALA A 103 1.762 -11.760 6.779 1.00 73.50 H new ATOM 0 HB3 ALA A 103 2.797 -13.138 6.333 1.00 73.50 H new ATOM 1616 N ALA A 104 2.589 -14.311 3.648 1.00 71.14 N ATOM 1617 CA ALA A 104 3.378 -14.954 2.604 1.00 2.23 C ATOM 1618 C ALA A 104 2.659 -14.901 1.261 1.00 61.13 C ATOM 1619 O ALA A 104 3.267 -14.606 0.232 1.00 14.41 O ATOM 1620 CB ALA A 104 3.683 -16.395 2.986 1.00 44.24 C ATOM 0 H ALA A 104 2.270 -14.941 4.384 1.00 71.14 H new ATOM 0 HA ALA A 104 4.317 -14.409 2.505 1.00 2.23 H new ATOM 0 HB1 ALA A 104 4.273 -16.863 2.198 1.00 44.24 H new ATOM 0 HB2 ALA A 104 4.246 -16.413 3.919 1.00 44.24 H new ATOM 0 HB3 ALA A 104 2.749 -16.943 3.115 1.00 44.24 H new ATOM 1626 N ALA A 105 1.362 -15.190 1.277 1.00 30.13 N ATOM 1627 CA ALA A 105 0.560 -15.174 0.060 1.00 22.21 C ATOM 1628 C ALA A 105 0.632 -13.815 -0.627 1.00 12.43 C ATOM 1629 O ALA A 105 0.747 -13.731 -1.849 1.00 73.51 O ATOM 1630 CB ALA A 105 -0.884 -15.533 0.375 1.00 35.21 C ATOM 0 H ALA A 105 0.844 -15.438 2.120 1.00 30.13 H new ATOM 0 HA ALA A 105 0.967 -15.919 -0.624 1.00 22.21 H new ATOM 0 HB1 ALA A 105 -1.471 -15.517 -0.543 1.00 35.21 H new ATOM 0 HB2 ALA A 105 -0.924 -16.530 0.814 1.00 35.21 H new ATOM 0 HB3 ALA A 105 -1.293 -14.810 1.080 1.00 35.21 H new ATOM 1636 N ALA A 106 0.562 -12.751 0.168 1.00 64.35 N ATOM 1637 CA ALA A 106 0.621 -11.395 -0.364 1.00 72.44 C ATOM 1638 C ALA A 106 1.955 -11.133 -1.054 1.00 62.32 C ATOM 1639 O ALA A 106 1.994 -10.735 -2.218 1.00 4.33 O ATOM 1640 CB ALA A 106 0.391 -10.382 0.747 1.00 20.12 C ATOM 0 H ALA A 106 0.464 -12.803 1.182 1.00 64.35 H new ATOM 0 HA ALA A 106 -0.169 -11.288 -1.107 1.00 72.44 H new ATOM 0 HB1 ALA A 106 0.438 -9.374 0.335 1.00 20.12 H new ATOM 0 HB2 ALA A 106 -0.590 -10.547 1.192 1.00 20.12 H new ATOM 0 HB3 ALA A 106 1.160 -10.498 1.510 1.00 20.12 H new ATOM 1646 N GLU A 107 3.046 -11.359 -0.329 1.00 31.25 N ATOM 1647 CA GLU A 107 4.382 -11.145 -0.872 1.00 20.41 C ATOM 1648 C GLU A 107 4.652 -12.090 -2.039 1.00 62.23 C ATOM 1649 O GLU A 107 5.463 -11.794 -2.916 1.00 20.40 O ATOM 1650 CB GLU A 107 5.438 -11.347 0.217 1.00 71.41 C ATOM 1651 CG GLU A 107 5.380 -12.716 0.874 1.00 23.12 C ATOM 1652 CD GLU A 107 6.365 -12.856 2.019 1.00 44.45 C ATOM 1653 OE1 GLU A 107 6.227 -12.115 3.015 1.00 63.44 O ATOM 1654 OE2 GLU A 107 7.275 -13.706 1.917 1.00 15.05 O ATOM 0 H GLU A 107 3.031 -11.690 0.636 1.00 31.25 H new ATOM 0 HA GLU A 107 4.438 -10.119 -1.237 1.00 20.41 H new ATOM 0 HB2 GLU A 107 6.427 -11.203 -0.217 1.00 71.41 H new ATOM 0 HB3 GLU A 107 5.311 -10.581 0.982 1.00 71.41 H new ATOM 0 HG2 GLU A 107 4.370 -12.895 1.244 1.00 23.12 H new ATOM 0 HG3 GLU A 107 5.586 -13.482 0.127 1.00 23.12 H new ATOM 1661 N ASN A 108 3.967 -13.229 -2.042 1.00 53.13 N ATOM 1662 CA ASN A 108 4.133 -14.218 -3.101 1.00 30.44 C ATOM 1663 C ASN A 108 3.621 -13.681 -4.433 1.00 51.24 C ATOM 1664 O ASN A 108 4.358 -13.629 -5.418 1.00 12.15 O ATOM 1665 CB ASN A 108 3.395 -15.509 -2.741 1.00 35.30 C ATOM 1666 CG ASN A 108 3.757 -16.659 -3.662 1.00 3.54 C ATOM 1667 OD1 ASN A 108 3.059 -16.930 -4.639 1.00 3.22 O ATOM 1668 ND2 ASN A 108 4.854 -17.340 -3.352 1.00 60.45 N ATOM 0 H ASN A 108 3.292 -13.490 -1.323 1.00 53.13 H new ATOM 0 HA ASN A 108 5.197 -14.431 -3.201 1.00 30.44 H new ATOM 0 HB2 ASN A 108 3.629 -15.783 -1.712 1.00 35.30 H new ATOM 0 HB3 ASN A 108 2.320 -15.335 -2.787 1.00 35.30 H new ATOM 0 HD21 ASN A 108 5.149 -18.124 -3.934 1.00 60.45 H new ATOM 0 HD22 ASN A 108 5.402 -17.079 -2.532 1.00 60.45 H new ATOM 1675 N MET A 109 2.354 -13.281 -4.456 1.00 75.44 N ATOM 1676 CA MET A 109 1.743 -12.746 -5.668 1.00 3.32 C ATOM 1677 C MET A 109 2.431 -11.453 -6.097 1.00 73.51 C ATOM 1678 O MET A 109 2.538 -11.162 -7.289 1.00 35.24 O ATOM 1679 CB MET A 109 0.251 -12.493 -5.444 1.00 61.41 C ATOM 1680 CG MET A 109 -0.629 -13.018 -6.567 1.00 41.32 C ATOM 1681 SD MET A 109 -0.219 -12.294 -8.167 1.00 4.12 S ATOM 1682 CE MET A 109 -0.667 -10.582 -7.889 1.00 30.21 C ATOM 0 H MET A 109 1.730 -13.317 -3.650 1.00 75.44 H new ATOM 0 HA MET A 109 1.864 -13.483 -6.462 1.00 3.32 H new ATOM 0 HB2 MET A 109 -0.052 -12.960 -4.507 1.00 61.41 H new ATOM 0 HB3 MET A 109 0.085 -11.421 -5.334 1.00 61.41 H new ATOM 0 HG2 MET A 109 -0.528 -14.102 -6.626 1.00 41.32 H new ATOM 0 HG3 MET A 109 -1.673 -12.808 -6.334 1.00 41.32 H new ATOM 0 HE1 MET A 109 -0.727 -10.062 -8.845 1.00 30.21 H new ATOM 0 HE2 MET A 109 -1.635 -10.536 -7.389 1.00 30.21 H new ATOM 0 HE3 MET A 109 0.088 -10.105 -7.263 1.00 30.21 H new ATOM 1692 N TYR A 110 2.895 -10.683 -5.120 1.00 14.41 N ATOM 1693 CA TYR A 110 3.569 -9.420 -5.397 1.00 62.11 C ATOM 1694 C TYR A 110 4.832 -9.647 -6.223 1.00 11.12 C ATOM 1695 O TYR A 110 5.054 -8.981 -7.234 1.00 31.00 O ATOM 1696 CB TYR A 110 3.922 -8.709 -4.090 1.00 2.51 C ATOM 1697 CG TYR A 110 4.629 -7.387 -4.291 1.00 55.14 C ATOM 1698 CD1 TYR A 110 6.010 -7.329 -4.428 1.00 11.41 C ATOM 1699 CD2 TYR A 110 3.914 -6.196 -4.346 1.00 71.54 C ATOM 1700 CE1 TYR A 110 6.659 -6.123 -4.611 1.00 62.24 C ATOM 1701 CE2 TYR A 110 4.555 -4.987 -4.531 1.00 52.41 C ATOM 1702 CZ TYR A 110 5.927 -4.955 -4.663 1.00 24.14 C ATOM 1703 OH TYR A 110 6.570 -3.753 -4.847 1.00 4.53 O ATOM 0 H TYR A 110 2.817 -10.911 -4.129 1.00 14.41 H new ATOM 0 HA TYR A 110 2.888 -8.792 -5.972 1.00 62.11 H new ATOM 0 HB2 TYR A 110 3.008 -8.540 -3.520 1.00 2.51 H new ATOM 0 HB3 TYR A 110 4.555 -9.363 -3.490 1.00 2.51 H new ATOM 0 HD1 TYR A 110 6.586 -8.242 -4.391 1.00 11.41 H new ATOM 0 HD2 TYR A 110 2.839 -6.217 -4.242 1.00 71.54 H new ATOM 0 HE1 TYR A 110 7.734 -6.095 -4.713 1.00 62.24 H new ATOM 0 HE2 TYR A 110 3.984 -4.071 -4.572 1.00 52.41 H new ATOM 0 HH TYR A 110 5.911 -3.028 -4.861 1.00 4.53 H new ATOM 1713 N SER A 111 5.656 -10.593 -5.784 1.00 1.22 N ATOM 1714 CA SER A 111 6.899 -10.907 -6.479 1.00 53.11 C ATOM 1715 C SER A 111 6.624 -11.716 -7.743 1.00 43.44 C ATOM 1716 O SER A 111 7.210 -11.460 -8.795 1.00 22.10 O ATOM 1717 CB SER A 111 7.841 -11.684 -5.558 1.00 2.32 C ATOM 1718 OG SER A 111 7.179 -12.787 -4.964 1.00 1.13 O ATOM 0 H SER A 111 5.485 -11.155 -4.950 1.00 1.22 H new ATOM 0 HA SER A 111 7.374 -9.968 -6.764 1.00 53.11 H new ATOM 0 HB2 SER A 111 8.702 -12.036 -6.126 1.00 2.32 H new ATOM 0 HB3 SER A 111 8.222 -11.022 -4.780 1.00 2.32 H new ATOM 0 HG SER A 111 6.683 -12.485 -4.175 1.00 1.13 H new ATOM 1724 N GLN A 112 5.729 -12.692 -7.631 1.00 44.12 N ATOM 1725 CA GLN A 112 5.377 -13.539 -8.765 1.00 5.14 C ATOM 1726 C GLN A 112 4.773 -12.712 -9.895 1.00 64.30 C ATOM 1727 O GLN A 112 4.859 -13.086 -11.064 1.00 70.23 O ATOM 1728 CB GLN A 112 4.393 -14.626 -8.330 1.00 23.23 C ATOM 1729 CG GLN A 112 3.990 -15.566 -9.454 1.00 34.41 C ATOM 1730 CD GLN A 112 3.786 -16.991 -8.978 1.00 63.42 C ATOM 1731 OE1 GLN A 112 3.179 -17.229 -7.934 1.00 10.23 O ATOM 1732 NE2 GLN A 112 4.295 -17.950 -9.744 1.00 54.33 N ATOM 0 H GLN A 112 5.235 -12.916 -6.767 1.00 44.12 H new ATOM 0 HA GLN A 112 6.289 -14.010 -9.132 1.00 5.14 H new ATOM 0 HB2 GLN A 112 4.840 -15.208 -7.524 1.00 23.23 H new ATOM 0 HB3 GLN A 112 3.498 -14.154 -7.924 1.00 23.23 H new ATOM 0 HG2 GLN A 112 3.069 -15.205 -9.912 1.00 34.41 H new ATOM 0 HG3 GLN A 112 4.758 -15.552 -10.227 1.00 34.41 H new ATOM 0 HE21 GLN A 112 4.791 -17.708 -10.602 1.00 54.33 H new ATOM 0 HE22 GLN A 112 4.190 -18.928 -9.474 1.00 54.33 H new ATOM 1741 N MET A 113 4.162 -11.587 -9.538 1.00 24.53 N ATOM 1742 CA MET A 113 3.545 -10.708 -10.523 1.00 14.40 C ATOM 1743 C MET A 113 4.603 -9.911 -11.280 1.00 13.25 C ATOM 1744 O MET A 113 4.385 -9.495 -12.417 1.00 24.50 O ATOM 1745 CB MET A 113 2.562 -9.754 -9.841 1.00 53.23 C ATOM 1746 CG MET A 113 1.948 -8.735 -10.788 1.00 1.22 C ATOM 1747 SD MET A 113 0.776 -7.640 -9.965 1.00 13.04 S ATOM 1748 CE MET A 113 0.142 -6.713 -11.360 1.00 14.54 C ATOM 0 H MET A 113 4.081 -11.263 -8.574 1.00 24.53 H new ATOM 0 HA MET A 113 3.003 -11.328 -11.237 1.00 14.40 H new ATOM 0 HB2 MET A 113 1.764 -10.336 -9.380 1.00 53.23 H new ATOM 0 HB3 MET A 113 3.077 -9.227 -9.038 1.00 53.23 H new ATOM 0 HG2 MET A 113 2.742 -8.139 -11.238 1.00 1.22 H new ATOM 0 HG3 MET A 113 1.442 -9.258 -11.600 1.00 1.22 H new ATOM 0 HE1 MET A 113 -0.597 -5.991 -11.012 1.00 14.54 H new ATOM 0 HE2 MET A 113 0.961 -6.186 -11.849 1.00 14.54 H new ATOM 0 HE3 MET A 113 -0.325 -7.397 -12.069 1.00 14.54 H new ATOM 1758 N GLY A 114 5.749 -9.701 -10.640 1.00 2.34 N ATOM 1759 CA GLY A 114 6.823 -8.954 -11.268 1.00 3.23 C ATOM 1760 C GLY A 114 7.060 -7.611 -10.606 1.00 54.30 C ATOM 1761 O GLY A 114 7.604 -6.694 -11.223 1.00 11.45 O ATOM 0 H GLY A 114 5.953 -10.035 -9.698 1.00 2.34 H new ATOM 0 HA2 GLY A 114 7.740 -9.541 -11.230 1.00 3.23 H new ATOM 0 HA3 GLY A 114 6.587 -8.800 -12.321 1.00 3.23 H new