USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 805 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 85 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 86 SER OG : rot 180:sc= 0.0232 USER MOD Set 2.1: A 37 CYS SG : rot -9:sc= -0.745 USER MOD Set 2.2: A 51 HIS :FLIP no HD1:sc= -4.46! C(o=-8.7!,f=-5.2!) USER MOD Single : A 1 GLY N :NH3+ -175:sc= 0 (180deg=-0.0339) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -123:sc= -3.66! (180deg=-5.1) USER MOD Single : A 14 LYS NZ :NH3+ 152:sc= -0.122 (180deg=-1.08) USER MOD Single : A 15 THR OG1 : rot -150:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -170:sc= -0.0137 USER MOD Single : A 18 SER OG : rot -37:sc= 0.0329 USER MOD Single : A 19 MET CE :methyl 147:sc= -0.0332 (180deg=-0.422) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -174:sc= -1.36 (180deg=-1.55) USER MOD Single : A 25 MET CE :methyl -151:sc= -0.214 (180deg=-2.64) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 49 CYS SG : rot -163:sc= -0.278 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.222 X(o=-0.22,f=0) USER MOD Single : A 61 GLN : amide:sc= -0.159 K(o=-0.16,f=-2.1!) USER MOD Single : A 64 MET CE :methyl 176:sc= -1.64 (180deg=-1.76) USER MOD Single : A 67 CYS SG : rot 180:sc= 0.0282 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -2.55! C(o=-2.6!,f=-3.2!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= -0.23 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.514 K(o=-0.51,f=-1.5!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.893 27.840 -23.324 1.00 0.00 N ATOM 2 CA GLY A 1 10.359 27.607 -21.970 1.00 0.00 C ATOM 3 C GLY A 1 9.882 26.280 -21.412 1.00 0.00 C ATOM 4 O GLY A 1 10.641 25.565 -20.759 1.00 0.00 O ATOM 0 H1 GLY A 1 10.314 28.718 -23.690 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.174 27.043 -23.930 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.857 27.927 -23.324 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.449 27.633 -21.955 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.011 28.414 -21.326 1.00 0.00 H new ATOM 8 N SER A 2 8.620 25.951 -21.670 1.00 0.00 N ATOM 9 CA SER A 2 8.041 24.704 -21.184 1.00 0.00 C ATOM 10 C SER A 2 7.626 23.809 -22.348 1.00 0.00 C ATOM 11 O SER A 2 6.525 23.938 -22.883 1.00 0.00 O ATOM 12 CB SER A 2 6.832 24.992 -20.292 1.00 0.00 C ATOM 13 OG SER A 2 6.298 23.795 -19.754 1.00 0.00 O ATOM 0 H SER A 2 7.979 26.530 -22.213 1.00 0.00 H new ATOM 0 HA SER A 2 8.799 24.183 -20.599 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.125 25.660 -19.482 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.065 25.509 -20.869 1.00 0.00 H new ATOM 0 HG SER A 2 5.527 24.007 -19.187 1.00 0.00 H new ATOM 19 N SER A 3 8.517 22.901 -22.735 1.00 0.00 N ATOM 20 CA SER A 3 8.246 21.986 -23.837 1.00 0.00 C ATOM 21 C SER A 3 7.214 20.938 -23.433 1.00 0.00 C ATOM 22 O SER A 3 7.214 20.456 -22.301 1.00 0.00 O ATOM 23 CB SER A 3 9.538 21.300 -24.287 1.00 0.00 C ATOM 24 OG SER A 3 10.366 22.195 -25.008 1.00 0.00 O ATOM 0 H SER A 3 9.432 22.780 -22.301 1.00 0.00 H new ATOM 0 HA SER A 3 7.842 22.566 -24.667 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.076 20.923 -23.417 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.298 20.439 -24.911 1.00 0.00 H new ATOM 0 HG SER A 3 11.186 21.733 -25.283 1.00 0.00 H new ATOM 30 N GLY A 4 6.335 20.591 -24.368 1.00 0.00 N ATOM 31 CA GLY A 4 5.309 19.602 -24.090 1.00 0.00 C ATOM 32 C GLY A 4 5.506 18.324 -24.881 1.00 0.00 C ATOM 33 O GLY A 4 5.715 18.363 -26.094 1.00 0.00 O ATOM 0 H GLY A 4 6.315 20.976 -25.312 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.311 19.370 -23.025 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.331 20.023 -24.323 1.00 0.00 H new ATOM 37 N SER A 5 5.442 17.189 -24.194 1.00 0.00 N ATOM 38 CA SER A 5 5.620 15.893 -24.839 1.00 0.00 C ATOM 39 C SER A 5 4.650 14.864 -24.268 1.00 0.00 C ATOM 40 O SER A 5 4.321 14.895 -23.083 1.00 0.00 O ATOM 41 CB SER A 5 7.060 15.406 -24.663 1.00 0.00 C ATOM 42 OG SER A 5 7.962 16.199 -25.416 1.00 0.00 O ATOM 0 H SER A 5 5.268 17.140 -23.190 1.00 0.00 H new ATOM 0 HA SER A 5 5.411 16.012 -25.902 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.333 15.441 -23.608 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.136 14.365 -24.977 1.00 0.00 H new ATOM 0 HG SER A 5 8.875 15.869 -25.285 1.00 0.00 H new ATOM 48 N SER A 6 4.195 13.952 -25.122 1.00 0.00 N ATOM 49 CA SER A 6 3.259 12.914 -24.705 1.00 0.00 C ATOM 50 C SER A 6 3.857 12.059 -23.591 1.00 0.00 C ATOM 51 O SER A 6 4.638 11.144 -23.848 1.00 0.00 O ATOM 52 CB SER A 6 2.881 12.030 -25.895 1.00 0.00 C ATOM 53 OG SER A 6 2.363 12.806 -26.962 1.00 0.00 O ATOM 0 H SER A 6 4.459 13.911 -26.106 1.00 0.00 H new ATOM 0 HA SER A 6 2.361 13.401 -24.324 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.757 11.478 -26.235 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.140 11.293 -25.584 1.00 0.00 H new ATOM 0 HG SER A 6 2.131 12.218 -27.711 1.00 0.00 H new ATOM 59 N GLY A 7 3.482 12.365 -22.353 1.00 0.00 N ATOM 60 CA GLY A 7 3.990 11.616 -21.218 1.00 0.00 C ATOM 61 C GLY A 7 2.882 11.108 -20.316 1.00 0.00 C ATOM 62 O GLY A 7 1.847 10.645 -20.794 1.00 0.00 O ATOM 0 H GLY A 7 2.836 13.118 -22.115 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.578 10.771 -21.578 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.663 12.250 -20.640 1.00 0.00 H new ATOM 66 N ARG A 8 3.101 11.192 -19.008 1.00 0.00 N ATOM 67 CA ARG A 8 2.115 10.734 -18.037 1.00 0.00 C ATOM 68 C ARG A 8 2.059 11.672 -16.835 1.00 0.00 C ATOM 69 O ARG A 8 3.085 12.180 -16.383 1.00 0.00 O ATOM 70 CB ARG A 8 2.444 9.313 -17.575 1.00 0.00 C ATOM 71 CG ARG A 8 1.982 8.236 -18.543 1.00 0.00 C ATOM 72 CD ARG A 8 2.055 6.853 -17.913 1.00 0.00 C ATOM 73 NE ARG A 8 2.168 5.800 -18.918 1.00 0.00 N ATOM 74 CZ ARG A 8 3.205 5.676 -19.740 1.00 0.00 C ATOM 75 NH1 ARG A 8 4.212 6.536 -19.676 1.00 0.00 N ATOM 76 NH2 ARG A 8 3.235 4.691 -20.628 1.00 0.00 N ATOM 0 H ARG A 8 3.953 11.573 -18.596 1.00 0.00 H new ATOM 0 HA ARG A 8 1.138 10.734 -18.521 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.521 9.226 -17.435 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.981 9.139 -16.604 1.00 0.00 H new ATOM 0 HG2 ARG A 8 0.958 8.441 -18.856 1.00 0.00 H new ATOM 0 HG3 ARG A 8 2.601 8.262 -19.440 1.00 0.00 H new ATOM 0 HD2 ARG A 8 2.911 6.806 -17.240 1.00 0.00 H new ATOM 0 HD3 ARG A 8 1.165 6.683 -17.308 1.00 0.00 H new ATOM 0 HE ARG A 8 1.409 5.122 -18.993 1.00 0.00 H new ATOM 0 HH11 ARG A 8 4.192 7.295 -18.995 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.007 6.439 -20.308 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.462 4.028 -20.680 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.031 4.597 -21.258 1.00 0.00 H new ATOM 90 N PHE A 9 0.854 11.896 -16.321 1.00 0.00 N ATOM 91 CA PHE A 9 0.665 12.774 -15.172 1.00 0.00 C ATOM 92 C PHE A 9 0.313 11.968 -13.925 1.00 0.00 C ATOM 93 O PHE A 9 0.784 12.265 -12.826 1.00 0.00 O ATOM 94 CB PHE A 9 -0.438 13.795 -15.460 1.00 0.00 C ATOM 95 CG PHE A 9 0.058 15.032 -16.153 1.00 0.00 C ATOM 96 CD1 PHE A 9 0.778 15.990 -15.458 1.00 0.00 C ATOM 97 CD2 PHE A 9 -0.197 15.237 -17.500 1.00 0.00 C ATOM 98 CE1 PHE A 9 1.236 17.130 -16.093 1.00 0.00 C ATOM 99 CE2 PHE A 9 0.258 16.374 -18.140 1.00 0.00 C ATOM 100 CZ PHE A 9 0.974 17.322 -17.435 1.00 0.00 C ATOM 0 H PHE A 9 -0.006 11.482 -16.682 1.00 0.00 H new ATOM 0 HA PHE A 9 1.601 13.302 -14.991 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -1.205 13.326 -16.076 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.913 14.080 -14.521 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.984 15.845 -14.408 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.758 14.500 -18.056 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.798 17.869 -15.540 1.00 0.00 H new ATOM 0 HE2 PHE A 9 0.054 16.521 -19.190 1.00 0.00 H new ATOM 0 HZ PHE A 9 1.328 18.212 -17.933 1.00 0.00 H new ATOM 110 N THR A 10 -0.518 10.946 -14.102 1.00 0.00 N ATOM 111 CA THR A 10 -0.934 10.098 -12.992 1.00 0.00 C ATOM 112 C THR A 10 0.228 9.257 -12.477 1.00 0.00 C ATOM 113 O THR A 10 0.639 9.389 -11.324 1.00 0.00 O ATOM 114 CB THR A 10 -2.087 9.162 -13.402 1.00 0.00 C ATOM 115 OG1 THR A 10 -1.650 8.267 -14.431 1.00 0.00 O ATOM 116 CG2 THR A 10 -3.284 9.962 -13.894 1.00 0.00 C ATOM 0 H THR A 10 -0.916 10.685 -15.004 1.00 0.00 H new ATOM 0 HA THR A 10 -1.278 10.762 -12.199 1.00 0.00 H new ATOM 0 HB THR A 10 -2.388 8.588 -12.526 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.388 7.675 -14.684 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.086 9.280 -14.178 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.633 10.621 -13.099 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.992 10.559 -14.758 1.00 0.00 H new ATOM 124 N TRP A 11 0.755 8.393 -13.337 1.00 0.00 N ATOM 125 CA TRP A 11 1.871 7.530 -12.967 1.00 0.00 C ATOM 126 C TRP A 11 3.191 8.292 -13.028 1.00 0.00 C ATOM 127 O TRP A 11 3.708 8.570 -14.110 1.00 0.00 O ATOM 128 CB TRP A 11 1.929 6.312 -13.890 1.00 0.00 C ATOM 129 CG TRP A 11 1.132 5.147 -13.386 1.00 0.00 C ATOM 130 CD1 TRP A 11 -0.020 4.648 -13.922 1.00 0.00 C ATOM 131 CD2 TRP A 11 1.429 4.336 -12.243 1.00 0.00 C ATOM 132 NE1 TRP A 11 -0.458 3.576 -13.182 1.00 0.00 N ATOM 133 CE2 TRP A 11 0.414 3.364 -12.147 1.00 0.00 C ATOM 134 CE3 TRP A 11 2.454 4.336 -11.294 1.00 0.00 C ATOM 135 CZ2 TRP A 11 0.396 2.405 -11.139 1.00 0.00 C ATOM 136 CZ3 TRP A 11 2.434 3.383 -10.293 1.00 0.00 C ATOM 137 CH2 TRP A 11 1.412 2.428 -10.222 1.00 0.00 C ATOM 0 H TRP A 11 0.428 8.271 -14.295 1.00 0.00 H new ATOM 0 HA TRP A 11 1.713 7.193 -11.942 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.562 6.595 -14.877 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.968 6.007 -14.012 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -0.515 5.038 -14.799 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -1.296 3.027 -13.373 1.00 0.00 H new ATOM 0 HE3 TRP A 11 3.247 5.067 -11.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -0.392 1.668 -11.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 3.220 3.375 -9.553 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.426 1.696 -9.428 1.00 0.00 H new ATOM 148 N SER A 12 3.730 8.626 -11.861 1.00 0.00 N ATOM 149 CA SER A 12 4.988 9.360 -11.782 1.00 0.00 C ATOM 150 C SER A 12 5.813 8.898 -10.584 1.00 0.00 C ATOM 151 O SER A 12 5.265 8.495 -9.559 1.00 0.00 O ATOM 152 CB SER A 12 4.722 10.863 -11.683 1.00 0.00 C ATOM 153 OG SER A 12 4.120 11.193 -10.443 1.00 0.00 O ATOM 0 H SER A 12 3.316 8.400 -10.957 1.00 0.00 H new ATOM 0 HA SER A 12 5.555 9.158 -12.691 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.659 11.409 -11.793 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.073 11.175 -12.501 1.00 0.00 H new ATOM 0 HG SER A 12 3.962 12.159 -10.403 1.00 0.00 H new ATOM 159 N MET A 13 7.133 8.959 -10.723 1.00 0.00 N ATOM 160 CA MET A 13 8.033 8.549 -9.652 1.00 0.00 C ATOM 161 C MET A 13 9.157 9.564 -9.467 1.00 0.00 C ATOM 162 O MET A 13 9.833 9.939 -10.425 1.00 0.00 O ATOM 163 CB MET A 13 8.622 7.169 -9.952 1.00 0.00 C ATOM 164 CG MET A 13 8.950 6.364 -8.706 1.00 0.00 C ATOM 165 SD MET A 13 10.050 7.243 -7.580 1.00 0.00 S ATOM 166 CE MET A 13 8.924 7.637 -6.244 1.00 0.00 C ATOM 0 H MET A 13 7.603 9.288 -11.566 1.00 0.00 H new ATOM 0 HA MET A 13 7.457 8.498 -8.728 1.00 0.00 H new ATOM 0 HB2 MET A 13 7.915 6.606 -10.562 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.529 7.291 -10.545 1.00 0.00 H new ATOM 0 HG2 MET A 13 8.025 6.116 -8.185 1.00 0.00 H new ATOM 0 HG3 MET A 13 9.413 5.422 -8.999 1.00 0.00 H new ATOM 0 HE1 MET A 13 8.912 8.715 -6.084 1.00 0.00 H new ATOM 0 HE2 MET A 13 7.921 7.297 -6.502 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.253 7.139 -5.332 1.00 0.00 H new ATOM 176 N LYS A 14 9.350 10.006 -8.229 1.00 0.00 N ATOM 177 CA LYS A 14 10.392 10.978 -7.917 1.00 0.00 C ATOM 178 C LYS A 14 11.186 10.549 -6.687 1.00 0.00 C ATOM 179 O LYS A 14 12.402 10.363 -6.753 1.00 0.00 O ATOM 180 CB LYS A 14 9.777 12.359 -7.684 1.00 0.00 C ATOM 181 CG LYS A 14 9.505 13.128 -8.965 1.00 0.00 C ATOM 182 CD LYS A 14 10.760 13.808 -9.485 1.00 0.00 C ATOM 183 CE LYS A 14 10.936 15.192 -8.881 1.00 0.00 C ATOM 184 NZ LYS A 14 11.726 15.151 -7.620 1.00 0.00 N ATOM 0 H LYS A 14 8.798 9.707 -7.425 1.00 0.00 H new ATOM 0 HA LYS A 14 11.072 11.029 -8.767 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.843 12.243 -7.134 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.447 12.944 -7.054 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.118 12.448 -9.724 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.733 13.876 -8.784 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.630 13.195 -9.252 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.708 13.888 -10.571 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.434 15.841 -9.601 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.957 15.628 -8.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.222 16.056 -7.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.087 14.988 -6.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.422 14.380 -7.671 1.00 0.00 H new ATOM 198 N THR A 15 10.490 10.391 -5.565 1.00 0.00 N ATOM 199 CA THR A 15 11.130 9.984 -4.321 1.00 0.00 C ATOM 200 C THR A 15 12.021 8.765 -4.534 1.00 0.00 C ATOM 201 O THR A 15 11.688 7.866 -5.306 1.00 0.00 O ATOM 202 CB THR A 15 10.088 9.659 -3.234 1.00 0.00 C ATOM 203 OG1 THR A 15 9.287 10.815 -2.962 1.00 0.00 O ATOM 204 CG2 THR A 15 10.767 9.194 -1.955 1.00 0.00 C ATOM 0 H THR A 15 9.483 10.539 -5.493 1.00 0.00 H new ATOM 0 HA THR A 15 11.741 10.824 -3.990 1.00 0.00 H new ATOM 0 HB THR A 15 9.451 8.854 -3.601 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.989 10.794 -2.029 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.011 8.970 -1.202 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.352 8.297 -2.159 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.425 9.981 -1.586 1.00 0.00 H new ATOM 212 N THR A 16 13.158 8.741 -3.844 1.00 0.00 N ATOM 213 CA THR A 16 14.098 7.634 -3.958 1.00 0.00 C ATOM 214 C THR A 16 14.836 7.402 -2.645 1.00 0.00 C ATOM 215 O THR A 16 14.979 8.315 -1.832 1.00 0.00 O ATOM 216 CB THR A 16 15.128 7.884 -5.076 1.00 0.00 C ATOM 217 OG1 THR A 16 15.575 9.244 -5.035 1.00 0.00 O ATOM 218 CG2 THR A 16 14.529 7.583 -6.441 1.00 0.00 C ATOM 0 H THR A 16 13.449 9.477 -3.200 1.00 0.00 H new ATOM 0 HA THR A 16 13.514 6.748 -4.205 1.00 0.00 H new ATOM 0 HB THR A 16 15.976 7.218 -4.914 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.231 9.394 -5.748 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.275 7.767 -7.214 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.216 6.539 -6.479 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.666 8.227 -6.609 1.00 0.00 H new ATOM 226 N SER A 17 15.304 6.174 -2.443 1.00 0.00 N ATOM 227 CA SER A 17 16.025 5.821 -1.226 1.00 0.00 C ATOM 228 C SER A 17 16.874 4.571 -1.440 1.00 0.00 C ATOM 229 O SER A 17 16.507 3.683 -2.210 1.00 0.00 O ATOM 230 CB SER A 17 15.045 5.594 -0.074 1.00 0.00 C ATOM 231 OG SER A 17 15.707 5.649 1.178 1.00 0.00 O ATOM 0 H SER A 17 15.197 5.407 -3.107 1.00 0.00 H new ATOM 0 HA SER A 17 16.686 6.650 -0.973 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.259 6.349 -0.107 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.561 4.625 -0.190 1.00 0.00 H new ATOM 0 HG SER A 17 15.098 5.347 1.884 1.00 0.00 H new ATOM 237 N SER A 18 18.010 4.510 -0.753 1.00 0.00 N ATOM 238 CA SER A 18 18.913 3.371 -0.870 1.00 0.00 C ATOM 239 C SER A 18 18.598 2.317 0.187 1.00 0.00 C ATOM 240 O SER A 18 19.077 1.186 0.112 1.00 0.00 O ATOM 241 CB SER A 18 20.366 3.830 -0.733 1.00 0.00 C ATOM 242 OG SER A 18 21.262 2.829 -1.185 1.00 0.00 O ATOM 0 H SER A 18 18.327 5.235 -0.110 1.00 0.00 H new ATOM 0 HA SER A 18 18.771 2.926 -1.855 1.00 0.00 H new ATOM 0 HB2 SER A 18 20.518 4.744 -1.307 1.00 0.00 H new ATOM 0 HB3 SER A 18 20.578 4.069 0.309 1.00 0.00 H new ATOM 0 HG SER A 18 20.920 1.946 -0.932 1.00 0.00 H new ATOM 248 N MET A 19 17.790 2.698 1.171 1.00 0.00 N ATOM 249 CA MET A 19 17.410 1.785 2.243 1.00 0.00 C ATOM 250 C MET A 19 16.592 0.619 1.700 1.00 0.00 C ATOM 251 O MET A 19 15.701 0.806 0.871 1.00 0.00 O ATOM 252 CB MET A 19 16.610 2.529 3.315 1.00 0.00 C ATOM 253 CG MET A 19 17.464 3.426 4.197 1.00 0.00 C ATOM 254 SD MET A 19 16.537 4.814 4.878 1.00 0.00 S ATOM 255 CE MET A 19 15.118 3.968 5.569 1.00 0.00 C ATOM 0 H MET A 19 17.386 3.631 1.248 1.00 0.00 H new ATOM 0 HA MET A 19 18.322 1.389 2.689 1.00 0.00 H new ATOM 0 HB2 MET A 19 15.843 3.133 2.830 1.00 0.00 H new ATOM 0 HB3 MET A 19 16.094 1.802 3.942 1.00 0.00 H new ATOM 0 HG2 MET A 19 17.880 2.836 5.014 1.00 0.00 H new ATOM 0 HG3 MET A 19 18.305 3.805 3.617 1.00 0.00 H new ATOM 0 HE1 MET A 19 14.781 4.493 6.463 1.00 0.00 H new ATOM 0 HE2 MET A 19 14.313 3.949 4.835 1.00 0.00 H new ATOM 0 HE3 MET A 19 15.395 2.947 5.831 1.00 0.00 H new ATOM 265 N ASP A 20 16.900 -0.585 2.171 1.00 0.00 N ATOM 266 CA ASP A 20 16.192 -1.782 1.733 1.00 0.00 C ATOM 267 C ASP A 20 14.683 -1.560 1.756 1.00 0.00 C ATOM 268 O ASP A 20 14.161 -0.756 2.528 1.00 0.00 O ATOM 269 CB ASP A 20 16.560 -2.971 2.621 1.00 0.00 C ATOM 270 CG ASP A 20 16.583 -2.609 4.093 1.00 0.00 C ATOM 271 OD1 ASP A 20 15.560 -2.096 4.594 1.00 0.00 O ATOM 272 OD2 ASP A 20 17.624 -2.837 4.745 1.00 0.00 O ATOM 0 H ASP A 20 17.636 -0.757 2.856 1.00 0.00 H new ATOM 0 HA ASP A 20 16.493 -1.998 0.708 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.844 -3.777 2.459 1.00 0.00 H new ATOM 0 HB3 ASP A 20 17.539 -3.350 2.328 1.00 0.00 H new ATOM 277 N PRO A 21 13.964 -2.289 0.889 1.00 0.00 N ATOM 278 CA PRO A 21 12.505 -2.189 0.790 1.00 0.00 C ATOM 279 C PRO A 21 11.801 -2.768 2.012 1.00 0.00 C ATOM 280 O PRO A 21 10.660 -2.413 2.310 1.00 0.00 O ATOM 281 CB PRO A 21 12.177 -3.013 -0.457 1.00 0.00 C ATOM 282 CG PRO A 21 13.303 -3.981 -0.579 1.00 0.00 C ATOM 283 CD PRO A 21 14.521 -3.267 -0.061 1.00 0.00 C ATOM 0 HA PRO A 21 12.170 -1.153 0.733 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.222 -3.528 -0.351 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.102 -2.380 -1.341 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.105 -4.884 -0.002 1.00 0.00 H new ATOM 0 HG3 PRO A 21 13.442 -4.289 -1.615 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.212 -3.954 0.428 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.072 -2.778 -0.864 1.00 0.00 H new ATOM 291 N SER A 22 12.487 -3.662 2.717 1.00 0.00 N ATOM 292 CA SER A 22 11.925 -4.293 3.905 1.00 0.00 C ATOM 293 C SER A 22 11.634 -3.256 4.985 1.00 0.00 C ATOM 294 O SER A 22 10.624 -3.338 5.685 1.00 0.00 O ATOM 295 CB SER A 22 12.884 -5.355 4.447 1.00 0.00 C ATOM 296 OG SER A 22 12.992 -6.449 3.553 1.00 0.00 O ATOM 0 H SER A 22 13.433 -3.966 2.486 1.00 0.00 H new ATOM 0 HA SER A 22 10.987 -4.771 3.623 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.868 -4.914 4.607 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.531 -5.707 5.416 1.00 0.00 H new ATOM 0 HG SER A 22 13.612 -7.113 3.922 1.00 0.00 H new ATOM 302 N ASP A 23 12.526 -2.280 5.115 1.00 0.00 N ATOM 303 CA ASP A 23 12.365 -1.224 6.108 1.00 0.00 C ATOM 304 C ASP A 23 11.375 -0.169 5.625 1.00 0.00 C ATOM 305 O ASP A 23 10.674 0.450 6.425 1.00 0.00 O ATOM 306 CB ASP A 23 13.715 -0.573 6.413 1.00 0.00 C ATOM 307 CG ASP A 23 13.646 0.376 7.594 1.00 0.00 C ATOM 308 OD1 ASP A 23 12.990 0.028 8.598 1.00 0.00 O ATOM 309 OD2 ASP A 23 14.248 1.467 7.513 1.00 0.00 O ATOM 0 H ASP A 23 13.368 -2.198 4.545 1.00 0.00 H new ATOM 0 HA ASP A 23 11.972 -1.673 7.020 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.452 -1.350 6.617 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.060 -0.030 5.533 1.00 0.00 H new ATOM 314 N MET A 24 11.324 0.030 4.312 1.00 0.00 N ATOM 315 CA MET A 24 10.419 1.010 3.723 1.00 0.00 C ATOM 316 C MET A 24 8.973 0.717 4.110 1.00 0.00 C ATOM 317 O MET A 24 8.200 1.631 4.396 1.00 0.00 O ATOM 318 CB MET A 24 10.560 1.016 2.200 1.00 0.00 C ATOM 319 CG MET A 24 11.702 1.885 1.699 1.00 0.00 C ATOM 320 SD MET A 24 11.202 3.593 1.415 1.00 0.00 S ATOM 321 CE MET A 24 11.014 3.600 -0.367 1.00 0.00 C ATOM 0 H MET A 24 11.898 -0.474 3.636 1.00 0.00 H new ATOM 0 HA MET A 24 10.688 1.993 4.109 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.713 -0.006 1.853 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.627 1.366 1.758 1.00 0.00 H new ATOM 0 HG2 MET A 24 12.515 1.864 2.425 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.093 1.466 0.772 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.811 4.615 -0.707 1.00 0.00 H new ATOM 0 HE2 MET A 24 11.932 3.238 -0.831 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.185 2.951 -0.648 1.00 0.00 H new ATOM 331 N MET A 25 8.615 -0.563 4.117 1.00 0.00 N ATOM 332 CA MET A 25 7.261 -0.976 4.470 1.00 0.00 C ATOM 333 C MET A 25 6.925 -0.569 5.901 1.00 0.00 C ATOM 334 O MET A 25 5.773 -0.269 6.217 1.00 0.00 O ATOM 335 CB MET A 25 7.108 -2.489 4.309 1.00 0.00 C ATOM 336 CG MET A 25 6.741 -2.915 2.896 1.00 0.00 C ATOM 337 SD MET A 25 5.166 -2.228 2.351 1.00 0.00 S ATOM 338 CE MET A 25 4.040 -3.535 2.835 1.00 0.00 C ATOM 0 H MET A 25 9.243 -1.332 3.882 1.00 0.00 H new ATOM 0 HA MET A 25 6.567 -0.474 3.795 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.042 -2.973 4.595 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.341 -2.844 4.998 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.527 -2.600 2.210 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.694 -4.003 2.849 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.180 -3.541 2.165 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.552 -4.496 2.778 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.702 -3.364 3.857 1.00 0.00 H new ATOM 348 N ARG A 26 7.937 -0.561 6.763 1.00 0.00 N ATOM 349 CA ARG A 26 7.747 -0.192 8.161 1.00 0.00 C ATOM 350 C ARG A 26 7.599 1.320 8.309 1.00 0.00 C ATOM 351 O ARG A 26 6.699 1.800 8.997 1.00 0.00 O ATOM 352 CB ARG A 26 8.924 -0.685 9.004 1.00 0.00 C ATOM 353 CG ARG A 26 8.737 -2.093 9.547 1.00 0.00 C ATOM 354 CD ARG A 26 9.867 -2.483 10.486 1.00 0.00 C ATOM 355 NE ARG A 26 9.893 -3.920 10.744 1.00 0.00 N ATOM 356 CZ ARG A 26 10.545 -4.473 11.761 1.00 0.00 C ATOM 357 NH1 ARG A 26 11.222 -3.712 12.610 1.00 0.00 N ATOM 358 NH2 ARG A 26 10.521 -5.789 11.930 1.00 0.00 N ATOM 0 H ARG A 26 8.896 -0.806 6.518 1.00 0.00 H new ATOM 0 HA ARG A 26 6.831 -0.665 8.515 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.831 -0.655 8.400 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.075 0.000 9.838 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.786 -2.157 10.075 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.690 -2.800 8.719 1.00 0.00 H new ATOM 0 HD2 ARG A 26 10.819 -2.175 10.055 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.756 -1.947 11.429 1.00 0.00 H new ATOM 0 HE ARG A 26 9.382 -4.533 10.108 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.243 -2.700 12.483 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.722 -4.138 13.390 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.002 -6.377 11.279 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.022 -6.212 12.711 1.00 0.00 H new ATOM 372 N GLU A 27 8.490 2.063 7.659 1.00 0.00 N ATOM 373 CA GLU A 27 8.458 3.519 7.721 1.00 0.00 C ATOM 374 C GLU A 27 7.198 4.065 7.056 1.00 0.00 C ATOM 375 O GLU A 27 6.428 4.802 7.672 1.00 0.00 O ATOM 376 CB GLU A 27 9.699 4.107 7.046 1.00 0.00 C ATOM 377 CG GLU A 27 9.722 5.626 7.032 1.00 0.00 C ATOM 378 CD GLU A 27 10.246 6.214 8.328 1.00 0.00 C ATOM 379 OE1 GLU A 27 9.716 5.855 9.400 1.00 0.00 O ATOM 380 OE2 GLU A 27 11.187 7.033 8.270 1.00 0.00 O ATOM 0 H GLU A 27 9.241 1.681 7.085 1.00 0.00 H new ATOM 0 HA GLU A 27 8.450 3.812 8.771 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.589 3.743 7.560 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.752 3.742 6.020 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.343 5.969 6.205 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.714 5.999 6.849 1.00 0.00 H new ATOM 387 N ILE A 28 6.995 3.698 5.795 1.00 0.00 N ATOM 388 CA ILE A 28 5.828 4.149 5.047 1.00 0.00 C ATOM 389 C ILE A 28 4.591 4.202 5.936 1.00 0.00 C ATOM 390 O ILE A 28 3.943 5.242 6.055 1.00 0.00 O ATOM 391 CB ILE A 28 5.542 3.233 3.842 1.00 0.00 C ATOM 392 CG1 ILE A 28 6.576 3.466 2.739 1.00 0.00 C ATOM 393 CG2 ILE A 28 4.135 3.473 3.317 1.00 0.00 C ATOM 394 CD1 ILE A 28 6.502 2.455 1.617 1.00 0.00 C ATOM 0 H ILE A 28 7.623 3.090 5.270 1.00 0.00 H new ATOM 0 HA ILE A 28 6.055 5.152 4.685 1.00 0.00 H new ATOM 0 HB ILE A 28 5.615 2.195 4.168 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.436 4.465 2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 28 7.574 3.439 3.176 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.948 2.819 2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.412 3.260 4.104 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.036 4.512 3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.264 2.682 0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.672 1.455 2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.517 2.498 1.153 1.00 0.00 H new ATOM 406 N ARG A 29 4.269 3.073 6.561 1.00 0.00 N ATOM 407 CA ARG A 29 3.110 2.991 7.440 1.00 0.00 C ATOM 408 C ARG A 29 3.203 4.022 8.561 1.00 0.00 C ATOM 409 O ARG A 29 2.196 4.593 8.980 1.00 0.00 O ATOM 410 CB ARG A 29 2.993 1.586 8.034 1.00 0.00 C ATOM 411 CG ARG A 29 2.506 0.543 7.041 1.00 0.00 C ATOM 412 CD ARG A 29 2.650 -0.865 7.596 1.00 0.00 C ATOM 413 NE ARG A 29 3.778 -0.978 8.516 1.00 0.00 N ATOM 414 CZ ARG A 29 3.712 -0.659 9.804 1.00 0.00 C ATOM 415 NH1 ARG A 29 2.577 -0.210 10.321 1.00 0.00 N ATOM 416 NH2 ARG A 29 4.782 -0.790 10.577 1.00 0.00 N ATOM 0 H ARG A 29 4.795 2.203 6.474 1.00 0.00 H new ATOM 0 HA ARG A 29 2.220 3.204 6.847 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.966 1.282 8.420 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.309 1.615 8.882 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.461 0.733 6.795 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.073 0.629 6.114 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.732 -1.147 8.112 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.782 -1.567 6.773 1.00 0.00 H new ATOM 0 HE ARG A 29 4.666 -1.321 8.150 1.00 0.00 H new ATOM 0 HH11 ARG A 29 1.752 -0.109 9.730 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.529 0.034 11.310 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.657 -1.136 10.183 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.730 -0.545 11.566 1.00 0.00 H new ATOM 430 N LYS A 30 4.419 4.256 9.043 1.00 0.00 N ATOM 431 CA LYS A 30 4.646 5.219 10.114 1.00 0.00 C ATOM 432 C LYS A 30 4.253 6.625 9.674 1.00 0.00 C ATOM 433 O LYS A 30 3.618 7.366 10.425 1.00 0.00 O ATOM 434 CB LYS A 30 6.115 5.199 10.543 1.00 0.00 C ATOM 435 CG LYS A 30 6.379 5.938 11.843 1.00 0.00 C ATOM 436 CD LYS A 30 7.780 6.526 11.876 1.00 0.00 C ATOM 437 CE LYS A 30 7.878 7.781 11.021 1.00 0.00 C ATOM 438 NZ LYS A 30 9.003 8.657 11.450 1.00 0.00 N ATOM 0 H LYS A 30 5.263 3.791 8.708 1.00 0.00 H new ATOM 0 HA LYS A 30 4.022 4.935 10.962 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.439 4.164 10.651 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.722 5.642 9.753 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.646 6.735 11.965 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.250 5.256 12.683 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.052 6.763 12.905 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.495 5.785 11.520 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.015 7.499 9.977 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.942 8.336 11.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.036 9.501 10.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.860 8.946 12.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.899 8.136 11.368 1.00 0.00 H new ATOM 452 N VAL A 31 4.633 6.987 8.453 1.00 0.00 N ATOM 453 CA VAL A 31 4.318 8.303 7.912 1.00 0.00 C ATOM 454 C VAL A 31 2.818 8.463 7.694 1.00 0.00 C ATOM 455 O VAL A 31 2.215 9.440 8.141 1.00 0.00 O ATOM 456 CB VAL A 31 5.049 8.552 6.579 1.00 0.00 C ATOM 457 CG1 VAL A 31 4.733 9.942 6.048 1.00 0.00 C ATOM 458 CG2 VAL A 31 6.549 8.367 6.752 1.00 0.00 C ATOM 0 H VAL A 31 5.160 6.386 7.819 1.00 0.00 H new ATOM 0 HA VAL A 31 4.656 9.035 8.645 1.00 0.00 H new ATOM 0 HB VAL A 31 4.697 7.822 5.850 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.258 10.100 5.106 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.659 10.034 5.885 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.055 10.690 6.772 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.050 8.547 5.801 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.919 9.072 7.496 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.754 7.349 7.084 1.00 0.00 H new ATOM 468 N LEU A 32 2.220 7.498 7.005 1.00 0.00 N ATOM 469 CA LEU A 32 0.788 7.530 6.727 1.00 0.00 C ATOM 470 C LEU A 32 -0.012 7.709 8.013 1.00 0.00 C ATOM 471 O LEU A 32 -0.763 8.672 8.160 1.00 0.00 O ATOM 472 CB LEU A 32 0.357 6.244 6.019 1.00 0.00 C ATOM 473 CG LEU A 32 0.737 6.132 4.542 1.00 0.00 C ATOM 474 CD1 LEU A 32 0.888 4.673 4.140 1.00 0.00 C ATOM 475 CD2 LEU A 32 -0.301 6.822 3.670 1.00 0.00 C ATOM 0 H LEU A 32 2.704 6.683 6.628 1.00 0.00 H new ATOM 0 HA LEU A 32 0.588 8.380 6.075 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.791 5.397 6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.726 6.152 6.103 1.00 0.00 H new ATOM 0 HG LEU A 32 1.695 6.630 4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.159 4.612 3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.669 4.209 4.742 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.055 4.151 4.303 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.014 6.732 2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.273 6.353 3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.361 7.876 3.941 1.00 0.00 H new ATOM 487 N GLY A 33 0.156 6.774 8.944 1.00 0.00 N ATOM 488 CA GLY A 33 -0.555 6.848 10.207 1.00 0.00 C ATOM 489 C GLY A 33 -0.544 8.244 10.798 1.00 0.00 C ATOM 490 O GLY A 33 -1.529 8.682 11.391 1.00 0.00 O ATOM 0 H GLY A 33 0.772 5.967 8.846 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.586 6.528 10.059 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.104 6.153 10.916 1.00 0.00 H new ATOM 494 N ALA A 34 0.575 8.943 10.638 1.00 0.00 N ATOM 495 CA ALA A 34 0.710 10.297 11.160 1.00 0.00 C ATOM 496 C ALA A 34 -0.267 11.249 10.478 1.00 0.00 C ATOM 497 O ALA A 34 -0.777 12.180 11.099 1.00 0.00 O ATOM 498 CB ALA A 34 2.139 10.790 10.985 1.00 0.00 C ATOM 0 H ALA A 34 1.401 8.594 10.151 1.00 0.00 H new ATOM 0 HA ALA A 34 0.472 10.275 12.224 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.225 11.803 11.379 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.820 10.131 11.524 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.397 10.790 9.926 1.00 0.00 H new ATOM 504 N ASN A 35 -0.523 11.008 9.196 1.00 0.00 N ATOM 505 CA ASN A 35 -1.439 11.845 8.429 1.00 0.00 C ATOM 506 C ASN A 35 -2.872 11.334 8.548 1.00 0.00 C ATOM 507 O ASN A 35 -3.622 11.327 7.573 1.00 0.00 O ATOM 508 CB ASN A 35 -1.019 11.882 6.959 1.00 0.00 C ATOM 509 CG ASN A 35 0.207 12.744 6.729 1.00 0.00 C ATOM 510 OD1 ASN A 35 0.198 13.943 7.008 1.00 0.00 O ATOM 511 ND2 ASN A 35 1.271 12.135 6.218 1.00 0.00 N ATOM 0 H ASN A 35 -0.109 10.240 8.667 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.397 12.855 8.837 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.816 10.867 6.617 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.845 12.262 6.358 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.125 12.663 6.042 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.234 11.139 6.002 1.00 0.00 H new ATOM 518 N ASN A 36 -3.245 10.908 9.750 1.00 0.00 N ATOM 519 CA ASN A 36 -4.587 10.396 9.997 1.00 0.00 C ATOM 520 C ASN A 36 -5.114 9.642 8.780 1.00 0.00 C ATOM 521 O ASN A 36 -6.284 9.768 8.417 1.00 0.00 O ATOM 522 CB ASN A 36 -5.537 11.542 10.351 1.00 0.00 C ATOM 523 CG ASN A 36 -4.986 12.431 11.450 1.00 0.00 C ATOM 524 OD1 ASN A 36 -4.544 11.947 12.492 1.00 0.00 O ATOM 525 ND2 ASN A 36 -5.010 13.739 11.220 1.00 0.00 N ATOM 0 H ASN A 36 -2.636 10.907 10.568 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.535 9.704 10.837 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.725 12.143 9.461 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.496 11.131 10.666 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -4.653 14.387 11.922 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.386 14.096 10.341 1.00 0.00 H new ATOM 532 N CYS A 37 -4.243 8.858 8.154 1.00 0.00 N ATOM 533 CA CYS A 37 -4.620 8.083 6.977 1.00 0.00 C ATOM 534 C CYS A 37 -4.813 6.612 7.333 1.00 0.00 C ATOM 535 O CYS A 37 -4.576 6.202 8.469 1.00 0.00 O ATOM 536 CB CYS A 37 -3.556 8.221 5.888 1.00 0.00 C ATOM 537 SG CYS A 37 -3.562 9.823 5.049 1.00 0.00 S ATOM 0 H CYS A 37 -3.271 8.742 8.442 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.566 8.474 6.602 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.574 8.059 6.332 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.705 7.435 5.148 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.610 10.500 5.414 1.00 0.00 H new ATOM 543 N ASP A 38 -5.245 5.824 6.355 1.00 0.00 N ATOM 544 CA ASP A 38 -5.470 4.399 6.565 1.00 0.00 C ATOM 545 C ASP A 38 -4.667 3.569 5.568 1.00 0.00 C ATOM 546 O ASP A 38 -4.660 3.854 4.370 1.00 0.00 O ATOM 547 CB ASP A 38 -6.959 4.072 6.436 1.00 0.00 C ATOM 548 CG ASP A 38 -7.301 2.705 6.995 1.00 0.00 C ATOM 549 OD1 ASP A 38 -7.176 2.517 8.223 1.00 0.00 O ATOM 550 OD2 ASP A 38 -7.694 1.822 6.203 1.00 0.00 O ATOM 0 H ASP A 38 -5.446 6.148 5.409 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.136 4.148 7.572 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.541 4.831 6.958 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.248 4.115 5.386 1.00 0.00 H new ATOM 555 N TYR A 39 -3.989 2.543 6.071 1.00 0.00 N ATOM 556 CA TYR A 39 -3.179 1.674 5.226 1.00 0.00 C ATOM 557 C TYR A 39 -3.553 0.210 5.433 1.00 0.00 C ATOM 558 O TYR A 39 -3.618 -0.270 6.565 1.00 0.00 O ATOM 559 CB TYR A 39 -1.693 1.880 5.523 1.00 0.00 C ATOM 560 CG TYR A 39 -1.315 1.584 6.956 1.00 0.00 C ATOM 561 CD1 TYR A 39 -1.215 0.275 7.413 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.057 2.612 7.854 1.00 0.00 C ATOM 563 CE1 TYR A 39 -0.872 0.000 8.722 1.00 0.00 C ATOM 564 CE2 TYR A 39 -0.711 2.346 9.165 1.00 0.00 C ATOM 565 CZ TYR A 39 -0.620 1.039 9.594 1.00 0.00 C ATOM 566 OH TYR A 39 -0.276 0.769 10.899 1.00 0.00 O ATOM 0 H TYR A 39 -3.984 2.293 7.060 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.374 1.936 4.186 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.107 1.241 4.862 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.424 2.910 5.291 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.409 -0.541 6.733 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.128 3.637 7.522 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -0.801 -1.023 9.061 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.513 3.157 9.850 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.131 1.611 11.380 1.00 0.00 H new ATOM 576 N GLU A 40 -3.796 -0.494 4.332 1.00 0.00 N ATOM 577 CA GLU A 40 -4.163 -1.904 4.393 1.00 0.00 C ATOM 578 C GLU A 40 -3.216 -2.750 3.546 1.00 0.00 C ATOM 579 O GLU A 40 -2.806 -2.341 2.461 1.00 0.00 O ATOM 580 CB GLU A 40 -5.604 -2.100 3.917 1.00 0.00 C ATOM 581 CG GLU A 40 -6.237 -3.391 4.407 1.00 0.00 C ATOM 582 CD GLU A 40 -6.613 -3.336 5.875 1.00 0.00 C ATOM 583 OE1 GLU A 40 -7.182 -2.309 6.303 1.00 0.00 O ATOM 584 OE2 GLU A 40 -6.339 -4.318 6.596 1.00 0.00 O ATOM 0 H GLU A 40 -3.745 -0.111 3.388 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.083 -2.229 5.430 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.207 -1.258 4.256 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.623 -2.087 2.827 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.128 -3.602 3.815 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.543 -4.216 4.244 1.00 0.00 H new ATOM 591 N GLN A 41 -2.875 -3.931 4.052 1.00 0.00 N ATOM 592 CA GLN A 41 -1.975 -4.833 3.343 1.00 0.00 C ATOM 593 C GLN A 41 -2.658 -5.430 2.117 1.00 0.00 C ATOM 594 O GLN A 41 -3.467 -6.351 2.232 1.00 0.00 O ATOM 595 CB GLN A 41 -1.504 -5.952 4.274 1.00 0.00 C ATOM 596 CG GLN A 41 -0.681 -7.020 3.572 1.00 0.00 C ATOM 597 CD GLN A 41 0.323 -7.683 4.495 1.00 0.00 C ATOM 598 OE1 GLN A 41 0.083 -7.823 5.694 1.00 0.00 O ATOM 599 NE2 GLN A 41 1.456 -8.096 3.939 1.00 0.00 N ATOM 0 H GLN A 41 -3.208 -4.285 4.949 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.111 -4.258 3.011 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.911 -5.518 5.079 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -2.374 -6.420 4.735 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.349 -7.778 3.163 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.154 -6.572 2.730 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.613 -7.960 2.941 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.169 -8.550 4.510 1.00 0.00 H new ATOM 608 N ARG A 42 -2.328 -4.898 0.945 1.00 0.00 N ATOM 609 CA ARG A 42 -2.911 -5.377 -0.303 1.00 0.00 C ATOM 610 C ARG A 42 -2.068 -6.498 -0.902 1.00 0.00 C ATOM 611 O ARG A 42 -2.467 -7.662 -0.890 1.00 0.00 O ATOM 612 CB ARG A 42 -3.038 -4.228 -1.305 1.00 0.00 C ATOM 613 CG ARG A 42 -4.307 -3.409 -1.136 1.00 0.00 C ATOM 614 CD ARG A 42 -5.470 -4.017 -1.905 1.00 0.00 C ATOM 615 NE ARG A 42 -6.173 -5.031 -1.124 1.00 0.00 N ATOM 616 CZ ARG A 42 -7.298 -5.615 -1.521 1.00 0.00 C ATOM 617 NH1 ARG A 42 -7.845 -5.287 -2.683 1.00 0.00 N ATOM 618 NH2 ARG A 42 -7.878 -6.530 -0.754 1.00 0.00 N ATOM 0 H ARG A 42 -1.660 -4.135 0.833 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.904 -5.770 -0.084 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.175 -3.570 -1.202 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.010 -4.634 -2.316 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.562 -3.346 -0.078 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.133 -2.391 -1.483 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.168 -3.229 -2.188 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.100 -4.463 -2.828 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.779 -5.306 -0.224 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.402 -4.584 -3.275 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.709 -5.737 -2.985 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.460 -6.785 0.141 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.742 -6.978 -1.059 1.00 0.00 H new ATOM 632 N GLU A 43 -0.900 -6.138 -1.426 1.00 0.00 N ATOM 633 CA GLU A 43 -0.002 -7.114 -2.031 1.00 0.00 C ATOM 634 C GLU A 43 1.234 -7.329 -1.161 1.00 0.00 C ATOM 635 O GLU A 43 1.336 -6.781 -0.064 1.00 0.00 O ATOM 636 CB GLU A 43 0.419 -6.656 -3.429 1.00 0.00 C ATOM 637 CG GLU A 43 -0.735 -6.141 -4.273 1.00 0.00 C ATOM 638 CD GLU A 43 -1.674 -7.246 -4.715 1.00 0.00 C ATOM 639 OE1 GLU A 43 -2.438 -7.752 -3.865 1.00 0.00 O ATOM 640 OE2 GLU A 43 -1.646 -7.606 -5.910 1.00 0.00 O ATOM 0 H GLU A 43 -0.554 -5.179 -1.443 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.537 -8.060 -2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.168 -5.870 -3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.894 -7.489 -3.947 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.295 -5.400 -3.702 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.339 -5.633 -5.152 1.00 0.00 H new ATOM 647 N ARG A 44 2.170 -8.130 -1.660 1.00 0.00 N ATOM 648 CA ARG A 44 3.397 -8.419 -0.929 1.00 0.00 C ATOM 649 C ARG A 44 3.970 -7.149 -0.306 1.00 0.00 C ATOM 650 O ARG A 44 4.250 -7.105 0.892 1.00 0.00 O ATOM 651 CB ARG A 44 4.432 -9.055 -1.859 1.00 0.00 C ATOM 652 CG ARG A 44 4.343 -10.572 -1.921 1.00 0.00 C ATOM 653 CD ARG A 44 5.024 -11.219 -0.725 1.00 0.00 C ATOM 654 NE ARG A 44 5.172 -12.662 -0.895 1.00 0.00 N ATOM 655 CZ ARG A 44 5.304 -13.511 0.118 1.00 0.00 C ATOM 656 NH1 ARG A 44 5.306 -13.065 1.366 1.00 0.00 N ATOM 657 NH2 ARG A 44 5.434 -14.811 -0.117 1.00 0.00 N ATOM 0 H ARG A 44 2.102 -8.590 -2.568 1.00 0.00 H new ATOM 0 HA ARG A 44 3.158 -9.120 -0.129 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.303 -8.650 -2.863 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.430 -8.771 -1.526 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.297 -10.875 -1.953 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.806 -10.928 -2.841 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.006 -10.768 -0.579 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.444 -11.018 0.176 1.00 0.00 H new ATOM 0 HE ARG A 44 5.174 -13.038 -1.843 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.206 -12.067 1.551 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.408 -13.720 2.141 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.433 -15.159 -1.076 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.535 -15.462 0.661 1.00 0.00 H new ATOM 671 N PHE A 45 4.144 -6.119 -1.127 1.00 0.00 N ATOM 672 CA PHE A 45 4.685 -4.849 -0.658 1.00 0.00 C ATOM 673 C PHE A 45 3.765 -3.692 -1.038 1.00 0.00 C ATOM 674 O PHE A 45 4.149 -2.525 -0.952 1.00 0.00 O ATOM 675 CB PHE A 45 6.081 -4.619 -1.240 1.00 0.00 C ATOM 676 CG PHE A 45 7.139 -5.489 -0.624 1.00 0.00 C ATOM 677 CD1 PHE A 45 7.420 -6.739 -1.150 1.00 0.00 C ATOM 678 CD2 PHE A 45 7.851 -5.056 0.483 1.00 0.00 C ATOM 679 CE1 PHE A 45 8.393 -7.542 -0.586 1.00 0.00 C ATOM 680 CE2 PHE A 45 8.826 -5.855 1.052 1.00 0.00 C ATOM 681 CZ PHE A 45 9.096 -7.099 0.518 1.00 0.00 C ATOM 0 H PHE A 45 3.918 -6.139 -2.121 1.00 0.00 H new ATOM 0 HA PHE A 45 4.755 -4.892 0.429 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.052 -4.801 -2.314 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.356 -3.573 -1.101 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.872 -7.091 -2.012 1.00 0.00 H new ATOM 0 HD2 PHE A 45 7.642 -4.084 0.906 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.604 -8.514 -1.007 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.376 -5.506 1.914 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.856 -7.725 0.962 1.00 0.00 H new ATOM 691 N LEU A 46 2.550 -4.024 -1.459 1.00 0.00 N ATOM 692 CA LEU A 46 1.574 -3.014 -1.854 1.00 0.00 C ATOM 693 C LEU A 46 0.525 -2.815 -0.764 1.00 0.00 C ATOM 694 O LEU A 46 0.010 -3.782 -0.200 1.00 0.00 O ATOM 695 CB LEU A 46 0.896 -3.416 -3.164 1.00 0.00 C ATOM 696 CG LEU A 46 0.211 -2.290 -3.939 1.00 0.00 C ATOM 697 CD1 LEU A 46 0.217 -2.587 -5.430 1.00 0.00 C ATOM 698 CD2 LEU A 46 -1.212 -2.088 -3.439 1.00 0.00 C ATOM 0 H LEU A 46 2.217 -4.985 -1.536 1.00 0.00 H new ATOM 0 HA LEU A 46 2.102 -2.072 -2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.644 -3.873 -3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.153 -4.183 -2.945 1.00 0.00 H new ATOM 0 HG LEU A 46 0.768 -1.368 -3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.275 -1.774 -5.965 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.246 -2.680 -5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.316 -3.519 -5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.684 -1.283 -4.002 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.780 -3.008 -3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.192 -1.828 -2.381 1.00 0.00 H new ATOM 710 N LEU A 47 0.212 -1.558 -0.475 1.00 0.00 N ATOM 711 CA LEU A 47 -0.779 -1.231 0.546 1.00 0.00 C ATOM 712 C LEU A 47 -1.823 -0.263 0.001 1.00 0.00 C ATOM 713 O LEU A 47 -1.589 0.425 -0.993 1.00 0.00 O ATOM 714 CB LEU A 47 -0.095 -0.625 1.773 1.00 0.00 C ATOM 715 CG LEU A 47 1.076 -1.421 2.350 1.00 0.00 C ATOM 716 CD1 LEU A 47 2.045 -0.498 3.072 1.00 0.00 C ATOM 717 CD2 LEU A 47 0.571 -2.507 3.289 1.00 0.00 C ATOM 0 H LEU A 47 0.629 -0.747 -0.932 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.283 -2.153 0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.263 0.370 1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.843 -0.498 2.556 1.00 0.00 H new ATOM 0 HG LEU A 47 1.607 -1.898 1.526 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.872 -1.082 3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.432 0.243 2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.527 0.008 3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.418 -3.064 3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.016 -2.050 4.108 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.083 -3.186 2.742 1.00 0.00 H new ATOM 729 N PHE A 48 -2.976 -0.212 0.660 1.00 0.00 N ATOM 730 CA PHE A 48 -4.057 0.674 0.242 1.00 0.00 C ATOM 731 C PHE A 48 -4.115 1.915 1.128 1.00 0.00 C ATOM 732 O PHE A 48 -4.544 1.849 2.281 1.00 0.00 O ATOM 733 CB PHE A 48 -5.397 -0.064 0.290 1.00 0.00 C ATOM 734 CG PHE A 48 -6.487 0.623 -0.483 1.00 0.00 C ATOM 735 CD1 PHE A 48 -6.541 0.528 -1.864 1.00 0.00 C ATOM 736 CD2 PHE A 48 -7.457 1.363 0.173 1.00 0.00 C ATOM 737 CE1 PHE A 48 -7.542 1.160 -2.577 1.00 0.00 C ATOM 738 CE2 PHE A 48 -8.462 1.996 -0.535 1.00 0.00 C ATOM 739 CZ PHE A 48 -8.504 1.894 -1.911 1.00 0.00 C ATOM 0 H PHE A 48 -3.186 -0.773 1.485 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.860 0.989 -0.783 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.262 -1.071 -0.104 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.709 -0.167 1.329 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.792 -0.046 -2.389 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.428 1.446 1.249 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.572 1.080 -3.654 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -9.213 2.569 -0.012 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.288 2.387 -2.466 1.00 0.00 H new ATOM 749 N CYS A 49 -3.681 3.045 0.582 1.00 0.00 N ATOM 750 CA CYS A 49 -3.683 4.302 1.322 1.00 0.00 C ATOM 751 C CYS A 49 -5.028 5.009 1.191 1.00 0.00 C ATOM 752 O CYS A 49 -5.720 4.867 0.183 1.00 0.00 O ATOM 753 CB CYS A 49 -2.563 5.215 0.819 1.00 0.00 C ATOM 754 SG CYS A 49 -1.060 4.338 0.329 1.00 0.00 S ATOM 0 H CYS A 49 -3.323 3.117 -0.370 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.513 4.075 2.375 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.931 5.788 -0.032 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.314 5.932 1.602 1.00 0.00 H new ATOM 0 HG CYS A 49 -0.068 5.176 0.271 1.00 0.00 H new ATOM 760 N VAL A 50 -5.393 5.769 2.218 1.00 0.00 N ATOM 761 CA VAL A 50 -6.656 6.498 2.219 1.00 0.00 C ATOM 762 C VAL A 50 -6.520 7.834 2.940 1.00 0.00 C ATOM 763 O VAL A 50 -5.930 7.912 4.018 1.00 0.00 O ATOM 764 CB VAL A 50 -7.776 5.678 2.887 1.00 0.00 C ATOM 765 CG1 VAL A 50 -9.030 6.524 3.053 1.00 0.00 C ATOM 766 CG2 VAL A 50 -8.072 4.424 2.079 1.00 0.00 C ATOM 0 H VAL A 50 -4.832 5.896 3.060 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.919 6.677 1.176 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.439 5.373 3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.811 5.929 3.526 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.805 7.389 3.677 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.374 6.861 2.075 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.866 3.857 2.565 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.390 4.705 1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.173 3.811 2.017 1.00 0.00 H new ATOM 776 N HIS A 51 -7.069 8.884 2.338 1.00 0.00 N ATOM 777 CA HIS A 51 -7.010 10.219 2.924 1.00 0.00 C ATOM 778 C HIS A 51 -8.205 11.059 2.483 1.00 0.00 C ATOM 779 O HIS A 51 -8.833 10.776 1.465 1.00 0.00 O ATOM 780 CB HIS A 51 -5.708 10.915 2.527 1.00 0.00 C ATOM 781 CG HIS A 51 -5.346 12.063 3.420 1.00 0.00 C ATOM 782 ND1 HIS A 51 -5.333 12.165 4.769 1.00 0.00 N flip ATOM 783 CD2 HIS A 51 -4.940 13.290 2.940 1.00 0.00 C flip ATOM 784 CE1 HIS A 51 -4.923 13.438 5.077 1.00 0.00 C flip ATOM 785 NE2 HIS A 51 -4.692 14.097 3.956 1.00 0.00 N flip ATOM 0 H HIS A 51 -7.560 8.837 1.445 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.042 10.115 4.009 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.898 10.186 2.539 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.796 11.276 1.502 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.840 13.551 1.897 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.808 13.836 6.074 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.376 15.064 3.887 1.00 0.00 H new ATOM 794 N GLY A 52 -8.512 12.094 3.259 1.00 0.00 N ATOM 795 CA GLY A 52 -9.631 12.959 2.933 1.00 0.00 C ATOM 796 C GLY A 52 -9.301 14.427 3.112 1.00 0.00 C ATOM 797 O GLY A 52 -9.489 14.985 4.193 1.00 0.00 O ATOM 0 H GLY A 52 -8.006 12.349 4.107 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.935 12.781 1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.481 12.701 3.565 1.00 0.00 H new ATOM 801 N ASP A 53 -8.806 15.054 2.051 1.00 0.00 N ATOM 802 CA ASP A 53 -8.447 16.467 2.096 1.00 0.00 C ATOM 803 C ASP A 53 -9.516 17.321 1.419 1.00 0.00 C ATOM 804 O ASP A 53 -9.234 18.045 0.466 1.00 0.00 O ATOM 805 CB ASP A 53 -7.094 16.694 1.421 1.00 0.00 C ATOM 806 CG ASP A 53 -7.001 16.017 0.068 1.00 0.00 C ATOM 807 OD1 ASP A 53 -7.868 16.284 -0.791 1.00 0.00 O ATOM 808 OD2 ASP A 53 -6.060 15.220 -0.133 1.00 0.00 O ATOM 0 H ASP A 53 -8.644 14.606 1.149 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.377 16.765 3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.926 17.764 1.301 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.301 16.318 2.067 1.00 0.00 H new ATOM 813 N GLY A 54 -10.744 17.228 1.919 1.00 0.00 N ATOM 814 CA GLY A 54 -11.837 17.996 1.350 1.00 0.00 C ATOM 815 C GLY A 54 -13.195 17.443 1.733 1.00 0.00 C ATOM 816 O GLY A 54 -13.570 17.453 2.906 1.00 0.00 O ATOM 0 H GLY A 54 -11.002 16.635 2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.762 19.031 1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -11.745 18.004 0.264 1.00 0.00 H new ATOM 820 N HIS A 55 -13.936 16.959 0.741 1.00 0.00 N ATOM 821 CA HIS A 55 -15.262 16.399 0.979 1.00 0.00 C ATOM 822 C HIS A 55 -15.225 14.875 0.930 1.00 0.00 C ATOM 823 O HIS A 55 -14.518 14.287 0.112 1.00 0.00 O ATOM 824 CB HIS A 55 -16.255 16.930 -0.055 1.00 0.00 C ATOM 825 CG HIS A 55 -16.634 18.364 0.160 1.00 0.00 C ATOM 826 ND1 HIS A 55 -17.894 18.758 0.557 1.00 0.00 N ATOM 827 CD2 HIS A 55 -15.909 19.499 0.031 1.00 0.00 C ATOM 828 CE1 HIS A 55 -17.928 20.074 0.662 1.00 0.00 C ATOM 829 NE2 HIS A 55 -16.736 20.549 0.348 1.00 0.00 N ATOM 0 H HIS A 55 -13.641 16.943 -0.235 1.00 0.00 H new ATOM 0 HA HIS A 55 -15.586 16.705 1.974 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -15.823 16.822 -1.050 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -17.156 16.317 -0.030 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -14.873 19.567 -0.266 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -18.785 20.662 0.955 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -16.473 21.534 0.342 1.00 0.00 H new ATOM 838 N ALA A 56 -15.990 14.241 1.813 1.00 0.00 N ATOM 839 CA ALA A 56 -16.046 12.786 1.870 1.00 0.00 C ATOM 840 C ALA A 56 -16.219 12.188 0.477 1.00 0.00 C ATOM 841 O ALA A 56 -15.439 11.333 0.058 1.00 0.00 O ATOM 842 CB ALA A 56 -17.176 12.336 2.783 1.00 0.00 C ATOM 0 H ALA A 56 -16.580 14.713 2.499 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.101 12.427 2.277 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -17.206 11.247 2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -17.009 12.725 3.788 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -18.125 12.713 2.401 1.00 0.00 H new ATOM 848 N GLU A 57 -17.245 12.644 -0.234 1.00 0.00 N ATOM 849 CA GLU A 57 -17.520 12.152 -1.579 1.00 0.00 C ATOM 850 C GLU A 57 -16.317 12.366 -2.493 1.00 0.00 C ATOM 851 O GLU A 57 -16.184 11.710 -3.525 1.00 0.00 O ATOM 852 CB GLU A 57 -18.749 12.853 -2.161 1.00 0.00 C ATOM 853 CG GLU A 57 -19.325 12.157 -3.383 1.00 0.00 C ATOM 854 CD GLU A 57 -20.659 12.738 -3.810 1.00 0.00 C ATOM 855 OE1 GLU A 57 -21.699 12.284 -3.288 1.00 0.00 O ATOM 856 OE2 GLU A 57 -20.663 13.647 -4.666 1.00 0.00 O ATOM 0 H GLU A 57 -17.899 13.353 0.098 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.718 11.082 -1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -19.519 12.916 -1.392 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -18.481 13.875 -2.428 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -18.618 12.236 -4.209 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.447 11.095 -3.168 1.00 0.00 H new ATOM 863 N ASN A 58 -15.444 13.291 -2.106 1.00 0.00 N ATOM 864 CA ASN A 58 -14.253 13.594 -2.890 1.00 0.00 C ATOM 865 C ASN A 58 -13.004 13.027 -2.223 1.00 0.00 C ATOM 866 O ASN A 58 -11.938 13.644 -2.249 1.00 0.00 O ATOM 867 CB ASN A 58 -14.107 15.106 -3.072 1.00 0.00 C ATOM 868 CG ASN A 58 -15.173 15.685 -3.982 1.00 0.00 C ATOM 869 OD1 ASN A 58 -14.913 15.985 -5.147 1.00 0.00 O ATOM 870 ND2 ASN A 58 -16.380 15.844 -3.453 1.00 0.00 N ATOM 0 H ASN A 58 -15.540 13.843 -1.254 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.364 13.127 -3.869 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -14.161 15.593 -2.098 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.122 15.326 -3.485 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -17.138 16.229 -4.017 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -16.550 15.581 -2.482 1.00 0.00 H new ATOM 877 N LEU A 59 -13.142 11.849 -1.625 1.00 0.00 N ATOM 878 CA LEU A 59 -12.024 11.198 -0.950 1.00 0.00 C ATOM 879 C LEU A 59 -11.031 10.635 -1.962 1.00 0.00 C ATOM 880 O LEU A 59 -11.415 10.191 -3.044 1.00 0.00 O ATOM 881 CB LEU A 59 -12.534 10.078 -0.041 1.00 0.00 C ATOM 882 CG LEU A 59 -11.589 9.640 1.079 1.00 0.00 C ATOM 883 CD1 LEU A 59 -11.669 10.605 2.252 1.00 0.00 C ATOM 884 CD2 LEU A 59 -11.915 8.224 1.528 1.00 0.00 C ATOM 0 H LEU A 59 -14.017 11.325 -1.594 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.512 11.945 -0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.473 10.401 0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -12.759 9.209 -0.660 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.569 9.652 0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.990 10.278 3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.386 11.604 1.921 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -12.688 10.626 2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.233 7.929 2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -12.941 8.186 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -11.806 7.541 0.686 1.00 0.00 H new ATOM 896 N VAL A 60 -9.752 10.653 -1.601 1.00 0.00 N ATOM 897 CA VAL A 60 -8.703 10.141 -2.475 1.00 0.00 C ATOM 898 C VAL A 60 -8.207 8.780 -1.999 1.00 0.00 C ATOM 899 O VAL A 60 -8.085 8.539 -0.799 1.00 0.00 O ATOM 900 CB VAL A 60 -7.511 11.113 -2.550 1.00 0.00 C ATOM 901 CG1 VAL A 60 -6.281 10.408 -3.102 1.00 0.00 C ATOM 902 CG2 VAL A 60 -7.865 12.326 -3.397 1.00 0.00 C ATOM 0 H VAL A 60 -9.417 11.017 -0.709 1.00 0.00 H new ATOM 0 HA VAL A 60 -9.140 10.038 -3.468 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.281 11.457 -1.542 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.449 11.111 -3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.017 9.574 -2.451 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.495 10.033 -4.103 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.011 13.002 -3.439 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.122 12.003 -4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.716 12.843 -2.954 1.00 0.00 H new ATOM 912 N GLN A 61 -7.922 7.896 -2.949 1.00 0.00 N ATOM 913 CA GLN A 61 -7.439 6.558 -2.627 1.00 0.00 C ATOM 914 C GLN A 61 -6.311 6.145 -3.567 1.00 0.00 C ATOM 915 O GLN A 61 -6.524 5.970 -4.767 1.00 0.00 O ATOM 916 CB GLN A 61 -8.583 5.546 -2.708 1.00 0.00 C ATOM 917 CG GLN A 61 -9.427 5.480 -1.445 1.00 0.00 C ATOM 918 CD GLN A 61 -10.858 5.063 -1.721 1.00 0.00 C ATOM 919 OE1 GLN A 61 -11.253 4.883 -2.874 1.00 0.00 O ATOM 920 NE2 GLN A 61 -11.645 4.908 -0.663 1.00 0.00 N ATOM 0 H GLN A 61 -8.017 8.082 -3.947 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.050 6.575 -1.609 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.225 5.802 -3.551 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.170 4.558 -2.911 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.975 4.775 -0.747 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.424 6.456 -0.959 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -11.276 5.068 0.275 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -12.618 4.629 -0.788 1.00 0.00 H new ATOM 929 N TRP A 62 -5.113 5.992 -3.015 1.00 0.00 N ATOM 930 CA TRP A 62 -3.952 5.600 -3.805 1.00 0.00 C ATOM 931 C TRP A 62 -3.157 4.507 -3.099 1.00 0.00 C ATOM 932 O TRP A 62 -3.071 4.485 -1.871 1.00 0.00 O ATOM 933 CB TRP A 62 -3.055 6.811 -4.068 1.00 0.00 C ATOM 934 CG TRP A 62 -2.238 7.214 -2.878 1.00 0.00 C ATOM 935 CD1 TRP A 62 -0.896 7.026 -2.704 1.00 0.00 C ATOM 936 CD2 TRP A 62 -2.709 7.873 -1.697 1.00 0.00 C ATOM 937 NE1 TRP A 62 -0.506 7.527 -1.485 1.00 0.00 N ATOM 938 CE2 TRP A 62 -1.599 8.053 -0.849 1.00 0.00 C ATOM 939 CE3 TRP A 62 -3.960 8.329 -1.275 1.00 0.00 C ATOM 940 CZ2 TRP A 62 -1.705 8.668 0.395 1.00 0.00 C ATOM 941 CZ3 TRP A 62 -4.064 8.940 -0.039 1.00 0.00 C ATOM 942 CH2 TRP A 62 -2.942 9.106 0.784 1.00 0.00 C ATOM 0 H TRP A 62 -4.920 6.133 -2.023 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.308 5.207 -4.757 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.387 6.586 -4.899 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.675 7.653 -4.376 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.239 6.553 -3.419 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.444 7.510 -1.114 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.830 8.207 -1.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -0.841 8.795 1.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.027 9.295 0.298 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.056 9.589 1.743 1.00 0.00 H new ATOM 953 N GLU A 63 -2.576 3.604 -3.882 1.00 0.00 N ATOM 954 CA GLU A 63 -1.788 2.508 -3.329 1.00 0.00 C ATOM 955 C GLU A 63 -0.297 2.826 -3.389 1.00 0.00 C ATOM 956 O GLU A 63 0.123 3.752 -4.082 1.00 0.00 O ATOM 957 CB GLU A 63 -2.075 1.211 -4.088 1.00 0.00 C ATOM 958 CG GLU A 63 -3.557 0.905 -4.234 1.00 0.00 C ATOM 959 CD GLU A 63 -3.816 -0.510 -4.711 1.00 0.00 C ATOM 960 OE1 GLU A 63 -3.226 -0.909 -5.736 1.00 0.00 O ATOM 961 OE2 GLU A 63 -4.611 -1.219 -4.058 1.00 0.00 O ATOM 0 H GLU A 63 -2.636 3.609 -4.900 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.073 2.380 -2.285 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.626 1.273 -5.079 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.591 0.383 -3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.052 1.057 -3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.002 1.609 -4.938 1.00 0.00 H new ATOM 968 N MET A 64 0.497 2.051 -2.657 1.00 0.00 N ATOM 969 CA MET A 64 1.941 2.250 -2.627 1.00 0.00 C ATOM 970 C MET A 64 2.672 0.913 -2.554 1.00 0.00 C ATOM 971 O MET A 64 2.512 0.161 -1.593 1.00 0.00 O ATOM 972 CB MET A 64 2.333 3.125 -1.435 1.00 0.00 C ATOM 973 CG MET A 64 1.750 4.528 -1.493 1.00 0.00 C ATOM 974 SD MET A 64 2.068 5.475 0.008 1.00 0.00 S ATOM 975 CE MET A 64 3.838 5.719 -0.115 1.00 0.00 C ATOM 0 H MET A 64 0.165 1.280 -2.077 1.00 0.00 H new ATOM 0 HA MET A 64 2.232 2.754 -3.549 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.003 2.641 -0.516 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.420 3.194 -1.387 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.171 5.057 -2.348 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.674 4.464 -1.656 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.176 6.351 0.706 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.343 4.754 -0.062 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.074 6.201 -1.064 1.00 0.00 H new ATOM 985 N GLU A 65 3.474 0.625 -3.574 1.00 0.00 N ATOM 986 CA GLU A 65 4.228 -0.622 -3.624 1.00 0.00 C ATOM 987 C GLU A 65 5.726 -0.349 -3.722 1.00 0.00 C ATOM 988 O GLU A 65 6.181 0.360 -4.619 1.00 0.00 O ATOM 989 CB GLU A 65 3.774 -1.471 -4.814 1.00 0.00 C ATOM 990 CG GLU A 65 4.804 -2.497 -5.257 1.00 0.00 C ATOM 991 CD GLU A 65 4.313 -3.358 -6.405 1.00 0.00 C ATOM 992 OE1 GLU A 65 3.785 -2.793 -7.386 1.00 0.00 O ATOM 993 OE2 GLU A 65 4.456 -4.596 -6.322 1.00 0.00 O ATOM 0 H GLU A 65 3.618 1.238 -4.376 1.00 0.00 H new ATOM 0 HA GLU A 65 4.036 -1.170 -2.701 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.850 -1.986 -4.551 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.545 -0.813 -5.652 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.717 -1.983 -5.558 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.061 -3.136 -4.412 1.00 0.00 H new ATOM 1000 N VAL A 66 6.487 -0.917 -2.792 1.00 0.00 N ATOM 1001 CA VAL A 66 7.933 -0.736 -2.773 1.00 0.00 C ATOM 1002 C VAL A 66 8.616 -1.652 -3.782 1.00 0.00 C ATOM 1003 O VAL A 66 8.349 -2.853 -3.826 1.00 0.00 O ATOM 1004 CB VAL A 66 8.515 -1.010 -1.373 1.00 0.00 C ATOM 1005 CG1 VAL A 66 9.934 -0.474 -1.270 1.00 0.00 C ATOM 1006 CG2 VAL A 66 7.626 -0.401 -0.299 1.00 0.00 C ATOM 0 H VAL A 66 6.126 -1.506 -2.042 1.00 0.00 H new ATOM 0 HA VAL A 66 8.124 0.303 -3.042 1.00 0.00 H new ATOM 0 HB VAL A 66 8.548 -2.088 -1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.328 -0.677 -0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.562 -0.962 -2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.930 0.602 -1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.052 -0.604 0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.559 0.676 -0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.630 -0.839 -0.360 1.00 0.00 H new ATOM 1016 N CYS A 67 9.497 -1.077 -4.593 1.00 0.00 N ATOM 1017 CA CYS A 67 10.219 -1.842 -5.604 1.00 0.00 C ATOM 1018 C CYS A 67 11.497 -1.122 -6.021 1.00 0.00 C ATOM 1019 O CYS A 67 11.704 0.045 -5.685 1.00 0.00 O ATOM 1020 CB CYS A 67 9.330 -2.078 -6.825 1.00 0.00 C ATOM 1021 SG CYS A 67 9.710 -3.594 -7.734 1.00 0.00 S ATOM 0 H CYS A 67 9.729 -0.084 -4.570 1.00 0.00 H new ATOM 0 HA CYS A 67 10.491 -2.804 -5.171 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.289 -2.112 -6.502 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.426 -1.228 -7.501 1.00 0.00 H new ATOM 0 HG CYS A 67 8.903 -3.706 -8.747 1.00 0.00 H new ATOM 1027 N LYS A 68 12.353 -1.824 -6.755 1.00 0.00 N ATOM 1028 CA LYS A 68 13.612 -1.254 -7.219 1.00 0.00 C ATOM 1029 C LYS A 68 13.456 -0.653 -8.612 1.00 0.00 C ATOM 1030 O LYS A 68 12.899 -1.282 -9.512 1.00 0.00 O ATOM 1031 CB LYS A 68 14.706 -2.323 -7.233 1.00 0.00 C ATOM 1032 CG LYS A 68 15.323 -2.580 -5.869 1.00 0.00 C ATOM 1033 CD LYS A 68 14.484 -3.546 -5.050 1.00 0.00 C ATOM 1034 CE LYS A 68 14.652 -4.978 -5.534 1.00 0.00 C ATOM 1035 NZ LYS A 68 13.625 -5.885 -4.951 1.00 0.00 N ATOM 0 H LYS A 68 12.197 -2.790 -7.042 1.00 0.00 H new ATOM 0 HA LYS A 68 13.898 -0.460 -6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.287 -3.254 -7.614 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.491 -2.019 -7.926 1.00 0.00 H new ATOM 0 HG2 LYS A 68 16.327 -2.985 -5.994 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.423 -1.637 -5.331 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.771 -3.479 -4.001 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.434 -3.261 -5.112 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.584 -5.004 -6.622 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.646 -5.337 -5.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.774 -6.851 -5.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.706 -5.880 -3.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.677 -5.558 -5.226 1.00 0.00 H new ATOM 1049 N LEU A 69 13.953 0.567 -8.784 1.00 0.00 N ATOM 1050 CA LEU A 69 13.871 1.253 -10.069 1.00 0.00 C ATOM 1051 C LEU A 69 14.841 0.642 -11.075 1.00 0.00 C ATOM 1052 O LEU A 69 15.970 0.279 -10.744 1.00 0.00 O ATOM 1053 CB LEU A 69 14.169 2.743 -9.895 1.00 0.00 C ATOM 1054 CG LEU A 69 13.430 3.447 -8.756 1.00 0.00 C ATOM 1055 CD1 LEU A 69 14.255 4.606 -8.221 1.00 0.00 C ATOM 1056 CD2 LEU A 69 12.066 3.931 -9.225 1.00 0.00 C ATOM 0 H LEU A 69 14.417 1.102 -8.050 1.00 0.00 H new ATOM 0 HA LEU A 69 12.857 1.135 -10.452 1.00 0.00 H new ATOM 0 HB2 LEU A 69 15.241 2.862 -9.735 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.928 3.253 -10.828 1.00 0.00 H new ATOM 0 HG LEU A 69 13.281 2.731 -7.947 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.713 5.095 -7.411 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.208 4.232 -7.846 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.436 5.323 -9.021 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.554 4.429 -8.402 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.193 4.631 -10.051 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.473 3.080 -9.559 1.00 0.00 H new ATOM 1068 N PRO A 70 14.395 0.529 -12.335 1.00 0.00 N ATOM 1069 CA PRO A 70 15.209 -0.034 -13.416 1.00 0.00 C ATOM 1070 C PRO A 70 16.367 0.878 -13.805 1.00 0.00 C ATOM 1071 O PRO A 70 17.517 0.443 -13.872 1.00 0.00 O ATOM 1072 CB PRO A 70 14.218 -0.165 -14.575 1.00 0.00 C ATOM 1073 CG PRO A 70 13.174 0.860 -14.298 1.00 0.00 C ATOM 1074 CD PRO A 70 13.060 0.941 -12.801 1.00 0.00 C ATOM 0 HA PRO A 70 15.675 -0.976 -13.127 1.00 0.00 H new ATOM 0 HB2 PRO A 70 14.704 0.014 -15.534 1.00 0.00 H new ATOM 0 HB3 PRO A 70 13.789 -1.166 -14.618 1.00 0.00 H new ATOM 0 HG2 PRO A 70 13.453 1.825 -14.721 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.222 0.578 -14.747 1.00 0.00 H new ATOM 0 HD2 PRO A 70 12.813 1.950 -12.471 1.00 0.00 H new ATOM 0 HD3 PRO A 70 12.280 0.281 -12.421 1.00 0.00 H new ATOM 1082 N ARG A 71 16.056 2.145 -14.060 1.00 0.00 N ATOM 1083 CA ARG A 71 17.071 3.118 -14.443 1.00 0.00 C ATOM 1084 C ARG A 71 18.026 3.393 -13.285 1.00 0.00 C ATOM 1085 O ARG A 71 19.217 3.087 -13.362 1.00 0.00 O ATOM 1086 CB ARG A 71 16.412 4.423 -14.895 1.00 0.00 C ATOM 1087 CG ARG A 71 17.363 5.370 -15.610 1.00 0.00 C ATOM 1088 CD ARG A 71 16.609 6.375 -16.466 1.00 0.00 C ATOM 1089 NE ARG A 71 17.509 7.319 -17.122 1.00 0.00 N ATOM 1090 CZ ARG A 71 18.051 8.366 -16.509 1.00 0.00 C ATOM 1091 NH1 ARG A 71 17.786 8.600 -15.232 1.00 0.00 N ATOM 1092 NH2 ARG A 71 18.861 9.180 -17.174 1.00 0.00 N ATOM 0 H ARG A 71 15.109 2.521 -14.008 1.00 0.00 H new ATOM 0 HA ARG A 71 17.643 2.701 -15.272 1.00 0.00 H new ATOM 0 HB2 ARG A 71 15.579 4.189 -15.558 1.00 0.00 H new ATOM 0 HB3 ARG A 71 15.994 4.930 -14.025 1.00 0.00 H new ATOM 0 HG2 ARG A 71 17.971 5.899 -14.876 1.00 0.00 H new ATOM 0 HG3 ARG A 71 18.046 4.797 -16.237 1.00 0.00 H new ATOM 0 HD2 ARG A 71 16.027 5.845 -17.220 1.00 0.00 H new ATOM 0 HD3 ARG A 71 15.901 6.922 -15.844 1.00 0.00 H new ATOM 0 HE ARG A 71 17.734 7.166 -18.105 1.00 0.00 H new ATOM 0 HH11 ARG A 71 17.165 7.976 -14.717 1.00 0.00 H new ATOM 0 HH12 ARG A 71 18.203 9.404 -14.764 1.00 0.00 H new ATOM 0 HH21 ARG A 71 19.068 9.002 -18.157 1.00 0.00 H new ATOM 0 HH22 ARG A 71 19.276 9.983 -16.702 1.00 0.00 H new ATOM 1106 N LEU A 72 17.496 3.972 -12.213 1.00 0.00 N ATOM 1107 CA LEU A 72 18.301 4.289 -11.038 1.00 0.00 C ATOM 1108 C LEU A 72 18.686 3.020 -10.284 1.00 0.00 C ATOM 1109 O LEU A 72 18.027 1.988 -10.408 1.00 0.00 O ATOM 1110 CB LEU A 72 17.535 5.234 -10.111 1.00 0.00 C ATOM 1111 CG LEU A 72 17.424 6.686 -10.576 1.00 0.00 C ATOM 1112 CD1 LEU A 72 16.235 6.859 -11.509 1.00 0.00 C ATOM 1113 CD2 LEU A 72 17.307 7.622 -9.382 1.00 0.00 C ATOM 0 H LEU A 72 16.513 4.231 -12.133 1.00 0.00 H new ATOM 0 HA LEU A 72 19.214 4.781 -11.375 1.00 0.00 H new ATOM 0 HB2 LEU A 72 16.528 4.839 -9.974 1.00 0.00 H new ATOM 0 HB3 LEU A 72 18.018 5.222 -9.134 1.00 0.00 H new ATOM 0 HG LEU A 72 18.331 6.941 -11.125 1.00 0.00 H new ATOM 0 HD11 LEU A 72 16.172 7.899 -11.829 1.00 0.00 H new ATOM 0 HD12 LEU A 72 16.361 6.217 -12.381 1.00 0.00 H new ATOM 0 HD13 LEU A 72 15.319 6.585 -10.986 1.00 0.00 H new ATOM 0 HD21 LEU A 72 17.229 8.651 -9.733 1.00 0.00 H new ATOM 0 HD22 LEU A 72 16.418 7.367 -8.805 1.00 0.00 H new ATOM 0 HD23 LEU A 72 18.190 7.520 -8.751 1.00 0.00 H new ATOM 1125 N SER A 73 19.756 3.105 -9.501 1.00 0.00 N ATOM 1126 CA SER A 73 20.230 1.964 -8.727 1.00 0.00 C ATOM 1127 C SER A 73 19.794 2.076 -7.269 1.00 0.00 C ATOM 1128 O SER A 73 20.599 1.903 -6.353 1.00 0.00 O ATOM 1129 CB SER A 73 21.755 1.863 -8.809 1.00 0.00 C ATOM 1130 OG SER A 73 22.166 1.364 -10.070 1.00 0.00 O ATOM 0 H SER A 73 20.312 3.953 -9.386 1.00 0.00 H new ATOM 0 HA SER A 73 19.790 1.062 -9.151 1.00 0.00 H new ATOM 0 HB2 SER A 73 22.197 2.845 -8.641 1.00 0.00 H new ATOM 0 HB3 SER A 73 22.122 1.209 -8.018 1.00 0.00 H new ATOM 0 HG SER A 73 23.144 1.311 -10.098 1.00 0.00 H new ATOM 1136 N LEU A 74 18.515 2.368 -7.062 1.00 0.00 N ATOM 1137 CA LEU A 74 17.970 2.505 -5.716 1.00 0.00 C ATOM 1138 C LEU A 74 16.520 2.034 -5.666 1.00 0.00 C ATOM 1139 O LEU A 74 15.907 1.767 -6.698 1.00 0.00 O ATOM 1140 CB LEU A 74 18.062 3.960 -5.252 1.00 0.00 C ATOM 1141 CG LEU A 74 19.447 4.602 -5.328 1.00 0.00 C ATOM 1142 CD1 LEU A 74 19.709 5.143 -6.725 1.00 0.00 C ATOM 1143 CD2 LEU A 74 19.579 5.708 -4.291 1.00 0.00 C ATOM 0 H LEU A 74 17.836 2.514 -7.809 1.00 0.00 H new ATOM 0 HA LEU A 74 18.560 1.879 -5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.374 4.556 -5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 74 17.715 4.014 -4.220 1.00 0.00 H new ATOM 0 HG LEU A 74 20.194 3.838 -5.112 1.00 0.00 H new ATOM 0 HD11 LEU A 74 20.700 5.596 -6.760 1.00 0.00 H new ATOM 0 HD12 LEU A 74 19.658 4.328 -7.447 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.958 5.893 -6.971 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.571 6.154 -4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 74 18.824 6.472 -4.476 1.00 0.00 H new ATOM 0 HD23 LEU A 74 19.436 5.291 -3.294 1.00 0.00 H new ATOM 1155 N ASN A 75 15.977 1.936 -4.456 1.00 0.00 N ATOM 1156 CA ASN A 75 14.598 1.498 -4.271 1.00 0.00 C ATOM 1157 C ASN A 75 13.639 2.684 -4.323 1.00 0.00 C ATOM 1158 O ASN A 75 13.803 3.661 -3.593 1.00 0.00 O ATOM 1159 CB ASN A 75 14.448 0.765 -2.937 1.00 0.00 C ATOM 1160 CG ASN A 75 15.616 -0.159 -2.651 1.00 0.00 C ATOM 1161 OD1 ASN A 75 16.736 0.293 -2.411 1.00 0.00 O ATOM 1162 ND2 ASN A 75 15.359 -1.462 -2.675 1.00 0.00 N ATOM 0 H ASN A 75 16.470 2.154 -3.590 1.00 0.00 H new ATOM 0 HA ASN A 75 14.348 0.815 -5.083 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.360 1.495 -2.132 1.00 0.00 H new ATOM 0 HB3 ASN A 75 13.524 0.187 -2.945 1.00 0.00 H new ATOM 0 HD21 ASN A 75 16.105 -2.132 -2.490 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.416 -1.792 -2.878 1.00 0.00 H new ATOM 1169 N GLY A 76 12.637 2.591 -5.192 1.00 0.00 N ATOM 1170 CA GLY A 76 11.667 3.662 -5.322 1.00 0.00 C ATOM 1171 C GLY A 76 10.253 3.203 -5.026 1.00 0.00 C ATOM 1172 O GLY A 76 9.919 2.033 -5.214 1.00 0.00 O ATOM 0 H GLY A 76 12.480 1.793 -5.808 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.932 4.472 -4.643 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.710 4.066 -6.333 1.00 0.00 H new ATOM 1176 N VAL A 77 9.419 4.126 -4.557 1.00 0.00 N ATOM 1177 CA VAL A 77 8.033 3.810 -4.233 1.00 0.00 C ATOM 1178 C VAL A 77 7.141 3.919 -5.465 1.00 0.00 C ATOM 1179 O VAL A 77 7.325 4.804 -6.300 1.00 0.00 O ATOM 1180 CB VAL A 77 7.487 4.741 -3.134 1.00 0.00 C ATOM 1181 CG1 VAL A 77 6.037 4.406 -2.822 1.00 0.00 C ATOM 1182 CG2 VAL A 77 8.346 4.647 -1.882 1.00 0.00 C ATOM 0 H VAL A 77 9.679 5.099 -4.393 1.00 0.00 H new ATOM 0 HA VAL A 77 8.020 2.783 -3.869 1.00 0.00 H new ATOM 0 HB VAL A 77 7.527 5.768 -3.498 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.669 5.074 -2.043 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.433 4.529 -3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.968 3.374 -2.477 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.946 5.311 -1.116 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.340 3.622 -1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.368 4.941 -2.119 1.00 0.00 H new ATOM 1192 N ARG A 78 6.175 3.012 -5.571 1.00 0.00 N ATOM 1193 CA ARG A 78 5.254 3.006 -6.702 1.00 0.00 C ATOM 1194 C ARG A 78 3.901 3.588 -6.304 1.00 0.00 C ATOM 1195 O ARG A 78 3.168 2.998 -5.511 1.00 0.00 O ATOM 1196 CB ARG A 78 5.073 1.582 -7.231 1.00 0.00 C ATOM 1197 CG ARG A 78 4.635 1.524 -8.685 1.00 0.00 C ATOM 1198 CD ARG A 78 5.096 0.239 -9.355 1.00 0.00 C ATOM 1199 NE ARG A 78 4.359 -0.032 -10.586 1.00 0.00 N ATOM 1200 CZ ARG A 78 3.186 -0.656 -10.618 1.00 0.00 C ATOM 1201 NH1 ARG A 78 2.621 -1.070 -9.492 1.00 0.00 N ATOM 1202 NH2 ARG A 78 2.577 -0.865 -11.778 1.00 0.00 N ATOM 0 H ARG A 78 6.010 2.272 -4.888 1.00 0.00 H new ATOM 0 HA ARG A 78 5.680 3.628 -7.489 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.013 1.041 -7.121 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.335 1.066 -6.617 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.549 1.596 -8.742 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.040 2.381 -9.223 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.161 0.308 -9.578 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.968 -0.595 -8.665 1.00 0.00 H new ATOM 0 HE ARG A 78 4.767 0.274 -11.469 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.087 -0.910 -8.599 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.721 -1.549 -9.519 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.009 -0.547 -12.645 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.677 -1.344 -11.802 1.00 0.00 H new ATOM 1216 N PHE A 79 3.577 4.751 -6.861 1.00 0.00 N ATOM 1217 CA PHE A 79 2.313 5.414 -6.564 1.00 0.00 C ATOM 1218 C PHE A 79 1.265 5.087 -7.624 1.00 0.00 C ATOM 1219 O PHE A 79 1.501 5.256 -8.820 1.00 0.00 O ATOM 1220 CB PHE A 79 2.515 6.929 -6.480 1.00 0.00 C ATOM 1221 CG PHE A 79 3.036 7.391 -5.150 1.00 0.00 C ATOM 1222 CD1 PHE A 79 4.316 7.059 -4.738 1.00 0.00 C ATOM 1223 CD2 PHE A 79 2.245 8.160 -4.310 1.00 0.00 C ATOM 1224 CE1 PHE A 79 4.798 7.482 -3.514 1.00 0.00 C ATOM 1225 CE2 PHE A 79 2.721 8.587 -3.085 1.00 0.00 C ATOM 1226 CZ PHE A 79 4.000 8.248 -2.687 1.00 0.00 C ATOM 0 H PHE A 79 4.172 5.253 -7.520 1.00 0.00 H new ATOM 0 HA PHE A 79 1.957 5.048 -5.601 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.210 7.239 -7.261 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.566 7.426 -6.682 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.945 6.462 -5.381 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.245 8.428 -4.617 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.797 7.214 -3.204 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.094 9.185 -2.440 1.00 0.00 H new ATOM 0 HZ PHE A 79 4.375 8.581 -1.731 1.00 0.00 H new ATOM 1236 N LYS A 80 0.106 4.617 -7.175 1.00 0.00 N ATOM 1237 CA LYS A 80 -0.980 4.266 -8.083 1.00 0.00 C ATOM 1238 C LYS A 80 -2.294 4.893 -7.627 1.00 0.00 C ATOM 1239 O LYS A 80 -2.699 4.739 -6.474 1.00 0.00 O ATOM 1240 CB LYS A 80 -1.131 2.746 -8.167 1.00 0.00 C ATOM 1241 CG LYS A 80 -2.128 2.291 -9.219 1.00 0.00 C ATOM 1242 CD LYS A 80 -2.096 0.782 -9.402 1.00 0.00 C ATOM 1243 CE LYS A 80 -3.057 0.085 -8.451 1.00 0.00 C ATOM 1244 NZ LYS A 80 -4.414 -0.066 -9.046 1.00 0.00 N ATOM 0 H LYS A 80 -0.105 4.470 -6.188 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.735 4.656 -9.071 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.159 2.304 -8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.443 2.366 -7.194 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.132 2.602 -8.929 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.905 2.778 -10.168 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.356 0.534 -10.431 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.084 0.415 -9.232 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.663 -0.898 -8.192 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.128 0.655 -7.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.039 -0.545 -8.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.801 0.873 -9.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.350 -0.631 -9.917 1.00 0.00 H new ATOM 1258 N ARG A 81 -2.956 5.598 -8.538 1.00 0.00 N ATOM 1259 CA ARG A 81 -4.224 6.248 -8.229 1.00 0.00 C ATOM 1260 C ARG A 81 -5.380 5.256 -8.324 1.00 0.00 C ATOM 1261 O ARG A 81 -5.310 4.275 -9.064 1.00 0.00 O ATOM 1262 CB ARG A 81 -4.466 7.421 -9.181 1.00 0.00 C ATOM 1263 CG ARG A 81 -5.561 8.366 -8.716 1.00 0.00 C ATOM 1264 CD ARG A 81 -5.716 9.548 -9.661 1.00 0.00 C ATOM 1265 NE ARG A 81 -6.629 9.252 -10.762 1.00 0.00 N ATOM 1266 CZ ARG A 81 -6.255 8.653 -11.886 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -4.992 8.286 -12.058 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -7.145 8.418 -12.842 1.00 0.00 N ATOM 0 H ARG A 81 -2.635 5.734 -9.497 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.172 6.623 -7.207 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.538 7.982 -9.296 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.727 7.032 -10.165 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.505 7.826 -8.650 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.330 8.728 -7.714 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.085 10.410 -9.106 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.740 9.822 -10.063 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.608 9.520 -10.662 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.305 8.464 -11.325 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.708 7.826 -12.923 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.117 8.698 -12.713 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.857 7.958 -13.705 1.00 0.00 H new ATOM 1282 N ILE A 82 -6.441 5.519 -7.569 1.00 0.00 N ATOM 1283 CA ILE A 82 -7.612 4.650 -7.568 1.00 0.00 C ATOM 1284 C ILE A 82 -8.897 5.459 -7.705 1.00 0.00 C ATOM 1285 O ILE A 82 -9.736 5.171 -8.558 1.00 0.00 O ATOM 1286 CB ILE A 82 -7.685 3.805 -6.282 1.00 0.00 C ATOM 1287 CG1 ILE A 82 -6.313 3.208 -5.960 1.00 0.00 C ATOM 1288 CG2 ILE A 82 -8.726 2.706 -6.429 1.00 0.00 C ATOM 1289 CD1 ILE A 82 -5.827 2.218 -6.995 1.00 0.00 C ATOM 0 H ILE A 82 -6.514 6.327 -6.950 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.512 3.984 -8.425 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.982 4.451 -5.456 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.586 4.015 -5.872 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.360 2.714 -4.990 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -8.766 2.118 -5.512 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -9.703 3.153 -6.616 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -8.457 2.059 -7.264 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -4.849 1.836 -6.702 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.533 1.391 -7.067 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.748 2.713 -7.963 1.00 0.00 H new ATOM 1301 N SER A 83 -9.044 6.474 -6.859 1.00 0.00 N ATOM 1302 CA SER A 83 -10.228 7.325 -6.884 1.00 0.00 C ATOM 1303 C SER A 83 -9.844 8.794 -6.738 1.00 0.00 C ATOM 1304 O SER A 83 -8.699 9.121 -6.429 1.00 0.00 O ATOM 1305 CB SER A 83 -11.193 6.924 -5.767 1.00 0.00 C ATOM 1306 OG SER A 83 -12.376 7.703 -5.811 1.00 0.00 O ATOM 0 H SER A 83 -8.358 6.727 -6.148 1.00 0.00 H new ATOM 0 HA SER A 83 -10.722 7.191 -7.846 1.00 0.00 H new ATOM 0 HB2 SER A 83 -11.446 5.868 -5.862 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.707 7.050 -4.800 1.00 0.00 H new ATOM 0 HG SER A 83 -12.977 7.426 -5.088 1.00 0.00 H new ATOM 1312 N GLY A 84 -10.813 9.677 -6.962 1.00 0.00 N ATOM 1313 CA GLY A 84 -10.558 11.102 -6.851 1.00 0.00 C ATOM 1314 C GLY A 84 -9.942 11.680 -8.109 1.00 0.00 C ATOM 1315 O GLY A 84 -9.241 10.983 -8.844 1.00 0.00 O ATOM 0 H GLY A 84 -11.769 9.431 -7.218 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -11.493 11.620 -6.637 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.892 11.284 -6.007 1.00 0.00 H new ATOM 1319 N THR A 85 -10.204 12.959 -8.361 1.00 0.00 N ATOM 1320 CA THR A 85 -9.672 13.631 -9.540 1.00 0.00 C ATOM 1321 C THR A 85 -8.167 13.844 -9.419 1.00 0.00 C ATOM 1322 O THR A 85 -7.637 13.986 -8.317 1.00 0.00 O ATOM 1323 CB THR A 85 -10.356 14.992 -9.767 1.00 0.00 C ATOM 1324 OG1 THR A 85 -10.212 15.390 -11.135 1.00 0.00 O ATOM 1325 CG2 THR A 85 -9.759 16.056 -8.859 1.00 0.00 C ATOM 0 H THR A 85 -10.782 13.550 -7.764 1.00 0.00 H new ATOM 0 HA THR A 85 -9.877 12.984 -10.393 1.00 0.00 H new ATOM 0 HB THR A 85 -11.414 14.886 -9.529 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.651 16.255 -11.272 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.258 17.008 -9.037 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.896 15.764 -7.818 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.695 16.159 -9.070 1.00 0.00 H new ATOM 1333 N SER A 86 -7.484 13.868 -10.559 1.00 0.00 N ATOM 1334 CA SER A 86 -6.039 14.061 -10.581 1.00 0.00 C ATOM 1335 C SER A 86 -5.601 15.008 -9.467 1.00 0.00 C ATOM 1336 O SER A 86 -4.913 14.603 -8.529 1.00 0.00 O ATOM 1337 CB SER A 86 -5.598 14.614 -11.937 1.00 0.00 C ATOM 1338 OG SER A 86 -6.514 15.582 -12.417 1.00 0.00 O ATOM 0 H SER A 86 -7.908 13.756 -11.480 1.00 0.00 H new ATOM 0 HA SER A 86 -5.565 13.093 -10.420 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.608 15.060 -11.846 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.516 13.799 -12.656 1.00 0.00 H new ATOM 0 HG SER A 86 -6.208 15.921 -13.284 1.00 0.00 H new ATOM 1344 N ILE A 87 -6.005 16.268 -9.578 1.00 0.00 N ATOM 1345 CA ILE A 87 -5.656 17.272 -8.580 1.00 0.00 C ATOM 1346 C ILE A 87 -5.704 16.688 -7.172 1.00 0.00 C ATOM 1347 O ILE A 87 -4.709 16.705 -6.448 1.00 0.00 O ATOM 1348 CB ILE A 87 -6.598 18.489 -8.652 1.00 0.00 C ATOM 1349 CG1 ILE A 87 -6.518 19.142 -10.033 1.00 0.00 C ATOM 1350 CG2 ILE A 87 -6.250 19.493 -7.563 1.00 0.00 C ATOM 1351 CD1 ILE A 87 -7.351 20.399 -10.155 1.00 0.00 C ATOM 0 H ILE A 87 -6.574 16.619 -10.348 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.639 17.597 -8.801 1.00 0.00 H new ATOM 0 HB ILE A 87 -7.621 18.149 -8.491 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.478 19.382 -10.253 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.845 18.424 -10.785 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -6.924 20.347 -7.627 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -6.354 19.021 -6.586 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -5.222 19.831 -7.695 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.247 20.808 -11.160 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.398 20.161 -9.967 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.009 21.134 -9.426 1.00 0.00 H new ATOM 1363 N ALA A 88 -6.868 16.171 -6.792 1.00 0.00 N ATOM 1364 CA ALA A 88 -7.045 15.578 -5.472 1.00 0.00 C ATOM 1365 C ALA A 88 -5.988 14.511 -5.203 1.00 0.00 C ATOM 1366 O ALA A 88 -5.530 14.348 -4.072 1.00 0.00 O ATOM 1367 CB ALA A 88 -8.440 14.985 -5.343 1.00 0.00 C ATOM 0 H ALA A 88 -7.702 16.151 -7.379 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.926 16.366 -4.728 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.558 14.546 -4.353 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -9.183 15.770 -5.483 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.579 14.214 -6.101 1.00 0.00 H new ATOM 1373 N PHE A 89 -5.606 13.786 -6.249 1.00 0.00 N ATOM 1374 CA PHE A 89 -4.605 12.734 -6.125 1.00 0.00 C ATOM 1375 C PHE A 89 -3.209 13.328 -5.963 1.00 0.00 C ATOM 1376 O PHE A 89 -2.382 12.807 -5.214 1.00 0.00 O ATOM 1377 CB PHE A 89 -4.642 11.818 -7.351 1.00 0.00 C ATOM 1378 CG PHE A 89 -3.459 10.898 -7.448 1.00 0.00 C ATOM 1379 CD1 PHE A 89 -3.136 10.050 -6.400 1.00 0.00 C ATOM 1380 CD2 PHE A 89 -2.670 10.881 -8.586 1.00 0.00 C ATOM 1381 CE1 PHE A 89 -2.048 9.202 -6.486 1.00 0.00 C ATOM 1382 CE2 PHE A 89 -1.581 10.034 -8.678 1.00 0.00 C ATOM 1383 CZ PHE A 89 -1.269 9.195 -7.627 1.00 0.00 C ATOM 0 H PHE A 89 -5.975 13.908 -7.192 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.838 12.149 -5.235 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.554 11.222 -7.322 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.690 12.431 -8.251 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.742 10.052 -5.506 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.908 11.537 -9.411 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.807 8.546 -5.663 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.975 10.029 -9.572 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.417 8.534 -7.697 1.00 0.00 H new ATOM 1393 N LYS A 90 -2.952 14.422 -6.672 1.00 0.00 N ATOM 1394 CA LYS A 90 -1.657 15.090 -6.608 1.00 0.00 C ATOM 1395 C LYS A 90 -1.534 15.917 -5.332 1.00 0.00 C ATOM 1396 O LYS A 90 -0.431 16.175 -4.853 1.00 0.00 O ATOM 1397 CB LYS A 90 -1.462 15.988 -7.831 1.00 0.00 C ATOM 1398 CG LYS A 90 -0.838 15.273 -9.017 1.00 0.00 C ATOM 1399 CD LYS A 90 -1.218 15.937 -10.331 1.00 0.00 C ATOM 1400 CE LYS A 90 -1.232 17.452 -10.206 1.00 0.00 C ATOM 1401 NZ LYS A 90 -0.985 18.119 -11.514 1.00 0.00 N ATOM 0 H LYS A 90 -3.624 14.865 -7.298 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.881 14.324 -6.600 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.428 16.395 -8.130 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.832 16.833 -7.554 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.247 15.268 -8.911 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.162 14.232 -9.027 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.512 15.641 -11.107 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.201 15.588 -10.645 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.195 17.775 -9.810 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.472 17.764 -9.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.002 19.151 -11.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.055 17.831 -11.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.725 17.841 -12.190 1.00 0.00 H new ATOM 1415 N ASN A 91 -2.674 16.327 -4.786 1.00 0.00 N ATOM 1416 CA ASN A 91 -2.693 17.124 -3.564 1.00 0.00 C ATOM 1417 C ASN A 91 -2.127 16.332 -2.389 1.00 0.00 C ATOM 1418 O ASN A 91 -1.335 16.851 -1.603 1.00 0.00 O ATOM 1419 CB ASN A 91 -4.120 17.577 -3.249 1.00 0.00 C ATOM 1420 CG ASN A 91 -4.155 18.887 -2.485 1.00 0.00 C ATOM 1421 OD1 ASN A 91 -3.469 19.048 -1.476 1.00 0.00 O ATOM 1422 ND2 ASN A 91 -4.957 19.830 -2.965 1.00 0.00 N ATOM 0 H ASN A 91 -3.596 16.121 -5.170 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.067 18.002 -3.722 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.677 17.687 -4.179 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -4.623 16.806 -2.666 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -5.022 20.732 -2.494 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -5.508 19.652 -3.805 1.00 0.00 H new ATOM 1429 N ILE A 92 -2.540 15.074 -2.277 1.00 0.00 N ATOM 1430 CA ILE A 92 -2.073 14.210 -1.200 1.00 0.00 C ATOM 1431 C ILE A 92 -0.730 13.577 -1.546 1.00 0.00 C ATOM 1432 O ILE A 92 0.027 13.179 -0.661 1.00 0.00 O ATOM 1433 CB ILE A 92 -3.090 13.095 -0.892 1.00 0.00 C ATOM 1434 CG1 ILE A 92 -2.695 12.354 0.387 1.00 0.00 C ATOM 1435 CG2 ILE A 92 -3.187 12.129 -2.062 1.00 0.00 C ATOM 1436 CD1 ILE A 92 -2.267 13.273 1.511 1.00 0.00 C ATOM 0 H ILE A 92 -3.197 14.630 -2.919 1.00 0.00 H new ATOM 0 HA ILE A 92 -1.958 14.839 -0.318 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.069 13.549 -0.739 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.539 11.751 0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.881 11.665 0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.910 11.347 -1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.510 12.668 -2.953 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.211 11.679 -2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.001 12.679 2.386 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.404 13.858 1.194 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.087 13.945 1.764 1.00 0.00 H new ATOM 1448 N ALA A 93 -0.440 13.488 -2.840 1.00 0.00 N ATOM 1449 CA ALA A 93 0.814 12.906 -3.303 1.00 0.00 C ATOM 1450 C ALA A 93 1.995 13.809 -2.967 1.00 0.00 C ATOM 1451 O ALA A 93 3.079 13.331 -2.631 1.00 0.00 O ATOM 1452 CB ALA A 93 0.754 12.649 -4.802 1.00 0.00 C ATOM 0 H ALA A 93 -1.056 13.811 -3.586 1.00 0.00 H new ATOM 0 HA ALA A 93 0.958 11.957 -2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.697 12.214 -5.135 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.061 11.959 -5.020 1.00 0.00 H new ATOM 0 HB3 ALA A 93 0.583 13.589 -5.326 1.00 0.00 H new ATOM 1458 N SER A 94 1.780 15.117 -3.059 1.00 0.00 N ATOM 1459 CA SER A 94 2.829 16.088 -2.769 1.00 0.00 C ATOM 1460 C SER A 94 3.234 16.025 -1.299 1.00 0.00 C ATOM 1461 O SER A 94 4.295 16.518 -0.914 1.00 0.00 O ATOM 1462 CB SER A 94 2.358 17.500 -3.120 1.00 0.00 C ATOM 1463 OG SER A 94 3.458 18.352 -3.389 1.00 0.00 O ATOM 0 H SER A 94 0.888 15.529 -3.332 1.00 0.00 H new ATOM 0 HA SER A 94 3.698 15.841 -3.379 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.702 17.462 -3.990 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.772 17.907 -2.296 1.00 0.00 H new ATOM 0 HG SER A 94 3.131 19.248 -3.612 1.00 0.00 H new ATOM 1469 N LYS A 95 2.382 15.416 -0.482 1.00 0.00 N ATOM 1470 CA LYS A 95 2.650 15.286 0.945 1.00 0.00 C ATOM 1471 C LYS A 95 3.530 14.073 1.226 1.00 0.00 C ATOM 1472 O LYS A 95 4.668 14.211 1.676 1.00 0.00 O ATOM 1473 CB LYS A 95 1.337 15.168 1.723 1.00 0.00 C ATOM 1474 CG LYS A 95 0.336 16.262 1.396 1.00 0.00 C ATOM 1475 CD LYS A 95 0.764 17.601 1.974 1.00 0.00 C ATOM 1476 CE LYS A 95 1.626 18.381 0.994 1.00 0.00 C ATOM 1477 NZ LYS A 95 0.807 19.243 0.098 1.00 0.00 N ATOM 0 H LYS A 95 1.499 15.004 -0.784 1.00 0.00 H new ATOM 0 HA LYS A 95 3.180 16.180 1.272 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.885 14.199 1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.554 15.193 2.791 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.231 16.349 0.315 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.643 15.990 1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.119 18.187 2.230 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.318 17.439 2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.334 19.000 1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 95 2.212 17.686 0.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.432 19.758 -0.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.149 18.650 -0.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.267 19.924 0.670 1.00 0.00 H new ATOM 1491 N ILE A 96 2.997 12.886 0.956 1.00 0.00 N ATOM 1492 CA ILE A 96 3.736 11.649 1.178 1.00 0.00 C ATOM 1493 C ILE A 96 5.157 11.753 0.635 1.00 0.00 C ATOM 1494 O ILE A 96 6.122 11.422 1.324 1.00 0.00 O ATOM 1495 CB ILE A 96 3.033 10.448 0.519 1.00 0.00 C ATOM 1496 CG1 ILE A 96 1.550 10.428 0.894 1.00 0.00 C ATOM 1497 CG2 ILE A 96 3.707 9.148 0.932 1.00 0.00 C ATOM 1498 CD1 ILE A 96 1.290 10.760 2.347 1.00 0.00 C ATOM 0 H ILE A 96 2.057 12.755 0.583 1.00 0.00 H new ATOM 0 HA ILE A 96 3.772 11.492 2.256 1.00 0.00 H new ATOM 0 HB ILE A 96 3.113 10.548 -0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 96 1.015 11.140 0.266 1.00 0.00 H new ATOM 0 HG13 ILE A 96 1.142 9.441 0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.199 8.308 0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.751 9.164 0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.655 9.039 2.015 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.218 10.727 2.542 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.797 10.034 2.982 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.668 11.759 2.565 1.00 0.00 H new ATOM 1510 N ALA A 97 5.278 12.216 -0.605 1.00 0.00 N ATOM 1511 CA ALA A 97 6.582 12.367 -1.240 1.00 0.00 C ATOM 1512 C ALA A 97 7.559 13.093 -0.321 1.00 0.00 C ATOM 1513 O ALA A 97 8.633 12.580 -0.013 1.00 0.00 O ATOM 1514 CB ALA A 97 6.443 13.112 -2.560 1.00 0.00 C ATOM 0 H ALA A 97 4.489 12.493 -1.190 1.00 0.00 H new ATOM 0 HA ALA A 97 6.980 11.372 -1.437 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.424 13.218 -3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.786 12.553 -3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.020 14.100 -2.378 1.00 0.00 H new ATOM 1520 N ASN A 98 7.178 14.290 0.113 1.00 0.00 N ATOM 1521 CA ASN A 98 8.022 15.087 0.995 1.00 0.00 C ATOM 1522 C ASN A 98 8.119 14.449 2.378 1.00 0.00 C ATOM 1523 O ASN A 98 9.198 14.048 2.812 1.00 0.00 O ATOM 1524 CB ASN A 98 7.470 16.509 1.116 1.00 0.00 C ATOM 1525 CG ASN A 98 7.992 17.230 2.344 1.00 0.00 C ATOM 1526 OD1 ASN A 98 9.118 16.995 2.784 1.00 0.00 O ATOM 1527 ND2 ASN A 98 7.173 18.112 2.904 1.00 0.00 N ATOM 0 H ASN A 98 6.290 14.729 -0.132 1.00 0.00 H new ATOM 0 HA ASN A 98 9.021 15.127 0.561 1.00 0.00 H new ATOM 0 HB2 ASN A 98 7.737 17.076 0.224 1.00 0.00 H new ATOM 0 HB3 ASN A 98 6.381 16.471 1.156 1.00 0.00 H new ATOM 0 HD21 ASN A 98 7.468 18.627 3.733 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.248 18.274 2.505 1.00 0.00 H new ATOM 1534 N GLU A 99 6.983 14.358 3.063 1.00 0.00 N ATOM 1535 CA GLU A 99 6.941 13.768 4.396 1.00 0.00 C ATOM 1536 C GLU A 99 7.869 12.560 4.486 1.00 0.00 C ATOM 1537 O GLU A 99 8.688 12.460 5.400 1.00 0.00 O ATOM 1538 CB GLU A 99 5.511 13.354 4.749 1.00 0.00 C ATOM 1539 CG GLU A 99 4.554 14.526 4.887 1.00 0.00 C ATOM 1540 CD GLU A 99 5.038 15.560 5.886 1.00 0.00 C ATOM 1541 OE1 GLU A 99 5.245 15.196 7.062 1.00 0.00 O ATOM 1542 OE2 GLU A 99 5.210 16.732 5.491 1.00 0.00 O ATOM 0 H GLU A 99 6.081 14.685 2.717 1.00 0.00 H new ATOM 0 HA GLU A 99 7.281 14.519 5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 99 5.137 12.679 3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 99 5.524 12.795 5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 99 4.423 15.000 3.914 1.00 0.00 H new ATOM 0 HG3 GLU A 99 3.576 14.157 5.196 1.00 0.00 H new ATOM 1549 N LEU A 100 7.735 11.646 3.532 1.00 0.00 N ATOM 1550 CA LEU A 100 8.561 10.444 3.502 1.00 0.00 C ATOM 1551 C LEU A 100 10.001 10.763 3.893 1.00 0.00 C ATOM 1552 O LEU A 100 10.778 11.269 3.083 1.00 0.00 O ATOM 1553 CB LEU A 100 8.526 9.812 2.110 1.00 0.00 C ATOM 1554 CG LEU A 100 7.369 8.850 1.838 1.00 0.00 C ATOM 1555 CD1 LEU A 100 7.297 8.507 0.358 1.00 0.00 C ATOM 1556 CD2 LEU A 100 7.518 7.587 2.674 1.00 0.00 C ATOM 0 H LEU A 100 7.062 11.714 2.769 1.00 0.00 H new ATOM 0 HA LEU A 100 8.156 9.736 4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.488 10.612 1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.462 9.276 1.953 1.00 0.00 H new ATOM 0 HG LEU A 100 6.438 9.341 2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.468 7.821 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.142 9.418 -0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.229 8.035 0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.686 6.914 2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.456 7.092 2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.519 7.849 3.732 1.00 0.00 H new ATOM 1568 N LYS A 101 10.351 10.461 5.139 1.00 0.00 N ATOM 1569 CA LYS A 101 11.698 10.711 5.637 1.00 0.00 C ATOM 1570 C LYS A 101 12.685 9.696 5.070 1.00 0.00 C ATOM 1571 O LYS A 101 13.214 8.855 5.799 1.00 0.00 O ATOM 1572 CB LYS A 101 11.716 10.657 7.167 1.00 0.00 C ATOM 1573 CG LYS A 101 12.827 11.484 7.791 1.00 0.00 C ATOM 1574 CD LYS A 101 14.196 10.905 7.477 1.00 0.00 C ATOM 1575 CE LYS A 101 15.263 11.464 8.406 1.00 0.00 C ATOM 1576 NZ LYS A 101 16.635 11.259 7.862 1.00 0.00 N ATOM 0 H LYS A 101 9.720 10.043 5.822 1.00 0.00 H new ATOM 0 HA LYS A 101 12.000 11.706 5.311 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.756 11.008 7.546 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.824 9.620 7.485 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.771 12.508 7.422 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.688 11.526 8.871 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.163 9.819 7.570 1.00 0.00 H new ATOM 0 HD3 LYS A 101 14.459 11.129 6.443 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.089 12.529 8.560 1.00 0.00 H new ATOM 0 HE3 LYS A 101 15.183 10.984 9.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 17.333 11.654 8.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 16.811 10.241 7.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.719 11.739 6.943 1.00 0.00 H new ATOM 1590 N LEU A 102 12.931 9.780 3.768 1.00 0.00 N ATOM 1591 CA LEU A 102 13.857 8.870 3.103 1.00 0.00 C ATOM 1592 C LEU A 102 14.885 9.642 2.282 1.00 0.00 C ATOM 1593 O LEU A 102 14.545 10.279 1.285 1.00 0.00 O ATOM 1594 CB LEU A 102 13.091 7.900 2.202 1.00 0.00 C ATOM 1595 CG LEU A 102 11.851 7.250 2.816 1.00 0.00 C ATOM 1596 CD1 LEU A 102 10.962 6.663 1.730 1.00 0.00 C ATOM 1597 CD2 LEU A 102 12.252 6.177 3.817 1.00 0.00 C ATOM 0 H LEU A 102 12.502 10.470 3.151 1.00 0.00 H new ATOM 0 HA LEU A 102 14.385 8.303 3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.788 8.434 1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.774 7.110 1.889 1.00 0.00 H new ATOM 0 HG LEU A 102 11.286 8.018 3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.085 6.205 2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.646 7.455 1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.518 5.908 1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.357 5.725 4.244 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.840 5.410 3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.847 6.626 4.613 1.00 0.00 H new TER 1609 LEU A 102