USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=29 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 25 MET CE :methyl 161:sc= -0.532 (180deg=-0.701) USER MOD Set 1.2: A 41 GLN : amide:sc= -0.8 K(o=-1.3,f=-2.9!) USER MOD Set 2.1: A 37 CYS SG : rot 12:sc= -0.259 USER MOD Set 2.2: A 51 HIS :FLIP no HD1:sc= -4! C(o=-8.4!,f=-4.3!) USER MOD Set 3.1: A 17 SER OG : rot -162:sc= -1.48! USER MOD Set 3.2: A 19 MET CE :methyl -170:sc= -0.947 (180deg=-1.42!) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.103 (180deg=0) 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 USER MOD Single : A 12 SER OG : rot 34:sc= 0.28 USER MOD Single : A 13 MET CE :methyl -120:sc= -4.78! (180deg=-8.48!) USER MOD Single : A 14 LYS NZ :NH3+ -165:sc= 0.00213 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -79:sc= -1.63! USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -149:sc= -2.05 (180deg=-5.58!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc=-0.00526 X(o=-0.0053,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 167:sc= -1.11 USER MOD Single : A 55 HIS : no HD1:sc= -0.0897 X(o=-0.09,f=0) USER MOD Single : A 58 ASN :FLIP amide:sc= -0.173 F(o=-1.5,f=-0.17) USER MOD Single : A 61 GLN : amide:sc= -1.51! C(o=-1.5!,f=-6.4!) USER MOD Single : A 64 MET CE :methyl -168:sc= -5.61! (180deg=-5.84!) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 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= -2.88 K(o=-2.9,f=-8.8!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 160:sc= -0.336! USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.00898 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) USER MOD Single : A 94 SER OG : rot -34:sc= 0.00871 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.192 14.293 -6.128 1.00 0.00 N ATOM 2 CA GLY A 1 21.364 14.859 -7.453 1.00 0.00 C ATOM 3 C GLY A 1 20.800 13.968 -8.542 1.00 0.00 C ATOM 4 O GLY A 1 20.208 12.926 -8.256 1.00 0.00 O ATOM 0 H1 GLY A 1 20.680 14.969 -5.526 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.649 13.409 -6.196 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.124 14.095 -5.711 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.875 15.832 -7.495 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.425 15.027 -7.638 1.00 0.00 H new ATOM 8 N SER A 2 20.981 14.377 -9.793 1.00 0.00 N ATOM 9 CA SER A 2 20.481 13.611 -10.928 1.00 0.00 C ATOM 10 C SER A 2 21.455 12.498 -11.304 1.00 0.00 C ATOM 11 O SER A 2 22.669 12.645 -11.161 1.00 0.00 O ATOM 12 CB SER A 2 20.251 14.530 -12.130 1.00 0.00 C ATOM 13 OG SER A 2 19.663 13.822 -13.208 1.00 0.00 O ATOM 0 H SER A 2 21.471 15.235 -10.046 1.00 0.00 H new ATOM 0 HA SER A 2 19.533 13.158 -10.639 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.605 15.359 -11.840 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.200 14.962 -12.449 1.00 0.00 H new ATOM 0 HG SER A 2 19.525 14.431 -13.963 1.00 0.00 H new ATOM 19 N SER A 3 20.914 11.384 -11.785 1.00 0.00 N ATOM 20 CA SER A 3 21.733 10.243 -12.178 1.00 0.00 C ATOM 21 C SER A 3 21.849 10.155 -13.697 1.00 0.00 C ATOM 22 O SER A 3 22.947 10.193 -14.250 1.00 0.00 O ATOM 23 CB SER A 3 21.139 8.946 -11.625 1.00 0.00 C ATOM 24 OG SER A 3 22.072 7.883 -11.703 1.00 0.00 O ATOM 0 H SER A 3 19.911 11.247 -11.912 1.00 0.00 H new ATOM 0 HA SER A 3 22.731 10.383 -11.762 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.838 9.094 -10.588 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.240 8.687 -12.184 1.00 0.00 H new ATOM 0 HG SER A 3 21.668 7.066 -11.342 1.00 0.00 H new ATOM 30 N GLY A 4 20.706 10.038 -14.366 1.00 0.00 N ATOM 31 CA GLY A 4 20.700 9.947 -15.814 1.00 0.00 C ATOM 32 C GLY A 4 19.351 10.293 -16.412 1.00 0.00 C ATOM 33 O GLY A 4 18.736 11.291 -16.037 1.00 0.00 O ATOM 0 H GLY A 4 19.784 10.005 -13.931 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.457 10.618 -16.220 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.978 8.936 -16.112 1.00 0.00 H new ATOM 37 N SER A 5 18.890 9.468 -17.346 1.00 0.00 N ATOM 38 CA SER A 5 17.607 9.695 -18.001 1.00 0.00 C ATOM 39 C SER A 5 16.768 8.420 -18.009 1.00 0.00 C ATOM 40 O SER A 5 17.303 7.312 -17.997 1.00 0.00 O ATOM 41 CB SER A 5 17.822 10.187 -19.433 1.00 0.00 C ATOM 42 OG SER A 5 18.642 11.342 -19.458 1.00 0.00 O ATOM 0 H SER A 5 19.386 8.636 -17.666 1.00 0.00 H new ATOM 0 HA SER A 5 17.070 10.459 -17.439 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.283 9.397 -20.027 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.859 10.411 -19.892 1.00 0.00 H new ATOM 0 HG SER A 5 18.766 11.635 -20.385 1.00 0.00 H new ATOM 48 N SER A 6 15.449 8.587 -18.030 1.00 0.00 N ATOM 49 CA SER A 6 14.535 7.451 -18.037 1.00 0.00 C ATOM 50 C SER A 6 14.018 7.178 -19.446 1.00 0.00 C ATOM 51 O SER A 6 13.196 7.926 -19.973 1.00 0.00 O ATOM 52 CB SER A 6 13.360 7.710 -17.091 1.00 0.00 C ATOM 53 OG SER A 6 13.778 7.678 -15.738 1.00 0.00 O ATOM 0 H SER A 6 14.990 9.498 -18.042 1.00 0.00 H new ATOM 0 HA SER A 6 15.082 6.573 -17.694 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.916 8.680 -17.315 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.586 6.960 -17.254 1.00 0.00 H new ATOM 0 HG SER A 6 13.010 7.848 -15.154 1.00 0.00 H new ATOM 59 N GLY A 7 14.507 6.100 -20.050 1.00 0.00 N ATOM 60 CA GLY A 7 14.084 5.746 -21.393 1.00 0.00 C ATOM 61 C GLY A 7 12.576 5.665 -21.523 1.00 0.00 C ATOM 62 O GLY A 7 11.948 6.552 -22.100 1.00 0.00 O ATOM 0 H GLY A 7 15.188 5.465 -19.634 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.467 6.484 -22.098 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.521 4.786 -21.667 1.00 0.00 H new ATOM 66 N ARG A 8 11.994 4.597 -20.987 1.00 0.00 N ATOM 67 CA ARG A 8 10.551 4.402 -21.049 1.00 0.00 C ATOM 68 C ARG A 8 9.825 5.443 -20.203 1.00 0.00 C ATOM 69 O ARG A 8 10.453 6.300 -19.580 1.00 0.00 O ATOM 70 CB ARG A 8 10.183 2.995 -20.573 1.00 0.00 C ATOM 71 CG ARG A 8 10.586 1.899 -21.545 1.00 0.00 C ATOM 72 CD ARG A 8 10.548 0.529 -20.886 1.00 0.00 C ATOM 73 NE ARG A 8 11.489 -0.402 -21.503 1.00 0.00 N ATOM 74 CZ ARG A 8 11.392 -1.723 -21.398 1.00 0.00 C ATOM 75 NH1 ARG A 8 10.401 -2.265 -20.704 1.00 0.00 N ATOM 76 NH2 ARG A 8 12.288 -2.504 -21.988 1.00 0.00 N ATOM 0 H ARG A 8 12.500 3.854 -20.505 1.00 0.00 H new ATOM 0 HA ARG A 8 10.238 4.520 -22.087 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.661 2.809 -19.611 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.107 2.946 -20.409 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.916 1.909 -22.405 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.590 2.096 -21.921 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.781 0.630 -19.826 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.539 0.122 -20.953 1.00 0.00 H new ATOM 0 HE ARG A 8 12.263 -0.017 -22.044 1.00 0.00 H new ATOM 0 HH11 ARG A 8 9.711 -1.668 -20.249 1.00 0.00 H new ATOM 0 HH12 ARG A 8 10.329 -3.279 -20.625 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.052 -2.090 -22.523 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.213 -3.518 -21.907 1.00 0.00 H new ATOM 90 N PHE A 9 8.498 5.363 -20.185 1.00 0.00 N ATOM 91 CA PHE A 9 7.686 6.299 -19.416 1.00 0.00 C ATOM 92 C PHE A 9 6.617 5.562 -18.615 1.00 0.00 C ATOM 93 O PHE A 9 5.457 5.972 -18.580 1.00 0.00 O ATOM 94 CB PHE A 9 7.029 7.321 -20.346 1.00 0.00 C ATOM 95 CG PHE A 9 6.324 6.698 -21.517 1.00 0.00 C ATOM 96 CD1 PHE A 9 7.001 6.452 -22.700 1.00 0.00 C ATOM 97 CD2 PHE A 9 4.983 6.358 -21.435 1.00 0.00 C ATOM 98 CE1 PHE A 9 6.356 5.879 -23.780 1.00 0.00 C ATOM 99 CE2 PHE A 9 4.332 5.784 -22.511 1.00 0.00 C ATOM 100 CZ PHE A 9 5.019 5.545 -23.685 1.00 0.00 C ATOM 0 H PHE A 9 7.963 4.660 -20.694 1.00 0.00 H new ATOM 0 HA PHE A 9 8.341 6.821 -18.719 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.314 7.914 -19.775 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.791 8.008 -20.714 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.046 6.711 -22.780 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.440 6.544 -20.520 1.00 0.00 H new ATOM 0 HE1 PHE A 9 6.896 5.693 -24.696 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.287 5.523 -22.434 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.512 5.098 -24.527 1.00 0.00 H new ATOM 110 N THR A 10 7.017 4.469 -17.972 1.00 0.00 N ATOM 111 CA THR A 10 6.095 3.672 -17.173 1.00 0.00 C ATOM 112 C THR A 10 6.726 3.267 -15.846 1.00 0.00 C ATOM 113 O THR A 10 7.819 2.702 -15.815 1.00 0.00 O ATOM 114 CB THR A 10 5.650 2.404 -17.926 1.00 0.00 C ATOM 115 OG1 THR A 10 5.194 2.748 -19.239 1.00 0.00 O ATOM 116 CG2 THR A 10 4.542 1.686 -17.170 1.00 0.00 C ATOM 0 H THR A 10 7.974 4.116 -17.989 1.00 0.00 H new ATOM 0 HA THR A 10 5.222 4.296 -16.981 1.00 0.00 H new ATOM 0 HB THR A 10 6.507 1.735 -18.004 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.914 1.936 -19.711 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.244 0.794 -17.721 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.902 1.399 -16.182 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.684 2.350 -17.064 1.00 0.00 H new ATOM 124 N TRP A 11 6.030 3.558 -14.753 1.00 0.00 N ATOM 125 CA TRP A 11 6.524 3.222 -13.422 1.00 0.00 C ATOM 126 C TRP A 11 7.926 3.781 -13.204 1.00 0.00 C ATOM 127 O TRP A 11 8.846 3.049 -12.839 1.00 0.00 O ATOM 128 CB TRP A 11 6.530 1.705 -13.225 1.00 0.00 C ATOM 129 CG TRP A 11 6.403 1.292 -11.790 1.00 0.00 C ATOM 130 CD1 TRP A 11 6.701 2.046 -10.690 1.00 0.00 C ATOM 131 CD2 TRP A 11 5.946 0.027 -11.300 1.00 0.00 C ATOM 132 NE1 TRP A 11 6.457 1.325 -9.546 1.00 0.00 N ATOM 133 CE2 TRP A 11 5.992 0.084 -9.893 1.00 0.00 C ATOM 134 CE3 TRP A 11 5.500 -1.148 -11.912 1.00 0.00 C ATOM 135 CZ2 TRP A 11 5.611 -0.989 -9.092 1.00 0.00 C ATOM 136 CZ3 TRP A 11 5.122 -2.212 -11.115 1.00 0.00 C ATOM 137 CH2 TRP A 11 5.179 -2.127 -9.718 1.00 0.00 C ATOM 0 H TRP A 11 5.123 4.025 -14.762 1.00 0.00 H new ATOM 0 HA TRP A 11 5.855 3.674 -12.689 1.00 0.00 H new ATOM 0 HB2 TRP A 11 5.710 1.269 -13.795 1.00 0.00 H new ATOM 0 HB3 TRP A 11 7.455 1.296 -13.633 1.00 0.00 H new ATOM 0 HD1 TRP A 11 7.073 3.059 -10.716 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.599 1.660 -8.593 1.00 0.00 H new ATOM 0 HE3 TRP A 11 5.452 -1.223 -12.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 5.655 -0.926 -8.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 4.777 -3.125 -11.577 1.00 0.00 H new ATOM 0 HH2 TRP A 11 4.876 -2.976 -9.123 1.00 0.00 H new ATOM 148 N SER A 12 8.082 5.081 -13.430 1.00 0.00 N ATOM 149 CA SER A 12 9.373 5.737 -13.262 1.00 0.00 C ATOM 150 C SER A 12 9.234 7.003 -12.422 1.00 0.00 C ATOM 151 O SER A 12 8.497 7.920 -12.780 1.00 0.00 O ATOM 152 CB SER A 12 9.977 6.080 -14.625 1.00 0.00 C ATOM 153 OG SER A 12 9.077 6.851 -15.402 1.00 0.00 O ATOM 0 H SER A 12 7.330 5.701 -13.730 1.00 0.00 H new ATOM 0 HA SER A 12 10.037 5.047 -12.742 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.907 6.631 -14.486 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.227 5.162 -15.157 1.00 0.00 H new ATOM 0 HG SER A 12 8.557 7.438 -14.814 1.00 0.00 H new ATOM 159 N MET A 13 9.950 7.044 -11.302 1.00 0.00 N ATOM 160 CA MET A 13 9.908 8.197 -10.411 1.00 0.00 C ATOM 161 C MET A 13 11.303 8.539 -9.897 1.00 0.00 C ATOM 162 O MET A 13 12.208 7.704 -9.926 1.00 0.00 O ATOM 163 CB MET A 13 8.970 7.925 -9.233 1.00 0.00 C ATOM 164 CG MET A 13 9.128 8.913 -8.089 1.00 0.00 C ATOM 165 SD MET A 13 8.037 8.549 -6.701 1.00 0.00 S ATOM 166 CE MET A 13 8.829 7.094 -6.020 1.00 0.00 C ATOM 0 H MET A 13 10.565 6.292 -10.991 1.00 0.00 H new ATOM 0 HA MET A 13 9.530 9.048 -10.978 1.00 0.00 H new ATOM 0 HB2 MET A 13 7.939 7.953 -9.586 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.152 6.917 -8.860 1.00 0.00 H new ATOM 0 HG2 MET A 13 10.162 8.903 -7.745 1.00 0.00 H new ATOM 0 HG3 MET A 13 8.923 9.920 -8.453 1.00 0.00 H new ATOM 0 HE1 MET A 13 8.132 6.256 -6.043 1.00 0.00 H new ATOM 0 HE2 MET A 13 9.711 6.849 -6.612 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.127 7.290 -4.990 1.00 0.00 H new ATOM 176 N LYS A 14 11.471 9.770 -9.428 1.00 0.00 N ATOM 177 CA LYS A 14 12.755 10.222 -8.906 1.00 0.00 C ATOM 178 C LYS A 14 12.916 9.830 -7.441 1.00 0.00 C ATOM 179 O LYS A 14 13.930 9.249 -7.050 1.00 0.00 O ATOM 180 CB LYS A 14 12.884 11.740 -9.057 1.00 0.00 C ATOM 181 CG LYS A 14 14.207 12.291 -8.552 1.00 0.00 C ATOM 182 CD LYS A 14 15.315 12.103 -9.574 1.00 0.00 C ATOM 183 CE LYS A 14 16.690 12.244 -8.938 1.00 0.00 C ATOM 184 NZ LYS A 14 16.967 13.646 -8.520 1.00 0.00 N ATOM 0 H LYS A 14 10.733 10.474 -9.399 1.00 0.00 H new ATOM 0 HA LYS A 14 13.544 9.737 -9.481 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.768 12.003 -10.108 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.069 12.221 -8.516 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.097 13.351 -8.324 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.479 11.791 -7.622 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.225 11.119 -10.033 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.205 12.838 -10.371 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.758 11.587 -8.071 1.00 0.00 H new ATOM 0 HE3 LYS A 14 17.453 11.919 -9.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.984 13.757 -8.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.683 14.297 -9.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.428 13.864 -7.657 1.00 0.00 H new ATOM 198 N THR A 15 11.910 10.150 -6.633 1.00 0.00 N ATOM 199 CA THR A 15 11.940 9.831 -5.212 1.00 0.00 C ATOM 200 C THR A 15 12.408 8.399 -4.979 1.00 0.00 C ATOM 201 O THR A 15 11.793 7.447 -5.463 1.00 0.00 O ATOM 202 CB THR A 15 10.555 10.018 -4.565 1.00 0.00 C ATOM 203 OG1 THR A 15 10.076 11.346 -4.806 1.00 0.00 O ATOM 204 CG2 THR A 15 10.618 9.761 -3.067 1.00 0.00 C ATOM 0 H THR A 15 11.064 10.630 -6.939 1.00 0.00 H new ATOM 0 HA THR A 15 12.646 10.521 -4.749 1.00 0.00 H new ATOM 0 HB THR A 15 9.870 9.298 -5.013 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.194 11.456 -4.393 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.628 9.899 -2.632 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.954 8.740 -2.887 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.317 10.460 -2.607 1.00 0.00 H new ATOM 212 N THR A 16 13.499 8.251 -4.235 1.00 0.00 N ATOM 213 CA THR A 16 14.050 6.935 -3.939 1.00 0.00 C ATOM 214 C THR A 16 14.694 6.907 -2.557 1.00 0.00 C ATOM 215 O THR A 16 15.276 7.896 -2.113 1.00 0.00 O ATOM 216 CB THR A 16 15.095 6.514 -4.989 1.00 0.00 C ATOM 217 OG1 THR A 16 16.045 7.568 -5.185 1.00 0.00 O ATOM 218 CG2 THR A 16 14.426 6.174 -6.312 1.00 0.00 C ATOM 0 H THR A 16 14.019 9.027 -3.826 1.00 0.00 H new ATOM 0 HA THR A 16 13.218 6.231 -3.964 1.00 0.00 H new ATOM 0 HB THR A 16 15.609 5.626 -4.622 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.656 8.255 -5.766 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.184 5.880 -7.038 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.726 5.352 -6.165 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.888 7.047 -6.683 1.00 0.00 H new ATOM 226 N SER A 17 14.587 5.766 -1.883 1.00 0.00 N ATOM 227 CA SER A 17 15.157 5.611 -0.549 1.00 0.00 C ATOM 228 C SER A 17 16.522 4.934 -0.618 1.00 0.00 C ATOM 229 O SER A 17 16.701 3.943 -1.326 1.00 0.00 O ATOM 230 CB SER A 17 14.215 4.795 0.339 1.00 0.00 C ATOM 231 OG SER A 17 14.793 4.556 1.610 1.00 0.00 O ATOM 0 H SER A 17 14.112 4.936 -2.238 1.00 0.00 H new ATOM 0 HA SER A 17 15.284 6.604 -0.117 1.00 0.00 H new ATOM 0 HB2 SER A 17 13.271 5.327 0.459 1.00 0.00 H new ATOM 0 HB3 SER A 17 13.986 3.845 -0.144 1.00 0.00 H new ATOM 0 HG SER A 17 14.324 3.816 2.049 1.00 0.00 H new ATOM 237 N SER A 18 17.483 5.476 0.123 1.00 0.00 N ATOM 238 CA SER A 18 18.834 4.928 0.145 1.00 0.00 C ATOM 239 C SER A 18 18.959 3.832 1.199 1.00 0.00 C ATOM 240 O SER A 18 20.018 3.652 1.799 1.00 0.00 O ATOM 241 CB SER A 18 19.852 6.036 0.421 1.00 0.00 C ATOM 242 OG SER A 18 19.815 6.435 1.781 1.00 0.00 O ATOM 0 H SER A 18 17.351 6.295 0.717 1.00 0.00 H new ATOM 0 HA SER A 18 19.039 4.492 -0.833 1.00 0.00 H new ATOM 0 HB2 SER A 18 20.853 5.686 0.168 1.00 0.00 H new ATOM 0 HB3 SER A 18 19.643 6.894 -0.219 1.00 0.00 H new ATOM 0 HG SER A 18 20.476 7.143 1.932 1.00 0.00 H new ATOM 248 N MET A 19 17.869 3.104 1.418 1.00 0.00 N ATOM 249 CA MET A 19 17.857 2.024 2.398 1.00 0.00 C ATOM 250 C MET A 19 17.260 0.754 1.800 1.00 0.00 C ATOM 251 O MET A 19 16.900 0.720 0.623 1.00 0.00 O ATOM 252 CB MET A 19 17.061 2.441 3.637 1.00 0.00 C ATOM 253 CG MET A 19 17.613 3.679 4.324 1.00 0.00 C ATOM 254 SD MET A 19 16.599 4.208 5.719 1.00 0.00 S ATOM 255 CE MET A 19 14.993 4.346 4.938 1.00 0.00 C ATOM 0 H MET A 19 16.984 3.242 0.931 1.00 0.00 H new ATOM 0 HA MET A 19 18.887 1.818 2.688 1.00 0.00 H new ATOM 0 HB2 MET A 19 16.026 2.626 3.349 1.00 0.00 H new ATOM 0 HB3 MET A 19 17.051 1.615 4.348 1.00 0.00 H new ATOM 0 HG2 MET A 19 18.626 3.476 4.672 1.00 0.00 H new ATOM 0 HG3 MET A 19 17.682 4.491 3.601 1.00 0.00 H new ATOM 0 HE1 MET A 19 14.297 4.832 5.621 1.00 0.00 H new ATOM 0 HE2 MET A 19 15.081 4.939 4.027 1.00 0.00 H new ATOM 0 HE3 MET A 19 14.623 3.351 4.689 1.00 0.00 H new ATOM 265 N ASP A 20 17.159 -0.288 2.618 1.00 0.00 N ATOM 266 CA ASP A 20 16.606 -1.561 2.170 1.00 0.00 C ATOM 267 C ASP A 20 15.091 -1.470 2.013 1.00 0.00 C ATOM 268 O ASP A 20 14.425 -0.650 2.646 1.00 0.00 O ATOM 269 CB ASP A 20 16.963 -2.673 3.157 1.00 0.00 C ATOM 270 CG ASP A 20 18.289 -3.332 2.832 1.00 0.00 C ATOM 271 OD1 ASP A 20 19.317 -2.624 2.827 1.00 0.00 O ATOM 272 OD2 ASP A 20 18.298 -4.556 2.582 1.00 0.00 O ATOM 0 H ASP A 20 17.453 -0.276 3.595 1.00 0.00 H new ATOM 0 HA ASP A 20 17.041 -1.796 1.198 1.00 0.00 H new ATOM 0 HB2 ASP A 20 17.003 -2.261 4.165 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.175 -3.426 3.152 1.00 0.00 H new ATOM 277 N PRO A 21 14.532 -2.331 1.150 1.00 0.00 N ATOM 278 CA PRO A 21 13.090 -2.366 0.889 1.00 0.00 C ATOM 279 C PRO A 21 12.299 -2.896 2.081 1.00 0.00 C ATOM 280 O PRO A 21 11.094 -2.665 2.190 1.00 0.00 O ATOM 281 CB PRO A 21 12.968 -3.321 -0.301 1.00 0.00 C ATOM 282 CG PRO A 21 14.171 -4.195 -0.210 1.00 0.00 C ATOM 283 CD PRO A 21 15.265 -3.335 0.361 1.00 0.00 C ATOM 0 HA PRO A 21 12.686 -1.372 0.698 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.049 -3.905 -0.247 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.945 -2.776 -1.245 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.979 -5.058 0.428 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.449 -4.580 -1.191 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.948 -3.914 0.982 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.863 -2.871 -0.424 1.00 0.00 H new ATOM 291 N SER A 22 12.984 -3.606 2.972 1.00 0.00 N ATOM 292 CA SER A 22 12.343 -4.171 4.154 1.00 0.00 C ATOM 293 C SER A 22 11.904 -3.069 5.113 1.00 0.00 C ATOM 294 O SER A 22 10.803 -3.112 5.663 1.00 0.00 O ATOM 295 CB SER A 22 13.297 -5.132 4.866 1.00 0.00 C ATOM 296 OG SER A 22 13.418 -6.351 4.155 1.00 0.00 O ATOM 0 H SER A 22 13.982 -3.804 2.898 1.00 0.00 H new ATOM 0 HA SER A 22 11.459 -4.720 3.831 1.00 0.00 H new ATOM 0 HB2 SER A 22 14.278 -4.667 4.967 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.933 -5.330 5.874 1.00 0.00 H new ATOM 0 HG SER A 22 14.034 -6.947 4.630 1.00 0.00 H new ATOM 302 N ASP A 23 12.772 -2.082 5.308 1.00 0.00 N ATOM 303 CA ASP A 23 12.475 -0.967 6.200 1.00 0.00 C ATOM 304 C ASP A 23 11.366 -0.092 5.624 1.00 0.00 C ATOM 305 O ASP A 23 10.494 0.380 6.352 1.00 0.00 O ATOM 306 CB ASP A 23 13.732 -0.129 6.439 1.00 0.00 C ATOM 307 CG ASP A 23 13.694 0.605 7.765 1.00 0.00 C ATOM 308 OD1 ASP A 23 13.237 0.007 8.762 1.00 0.00 O ATOM 309 OD2 ASP A 23 14.123 1.777 7.806 1.00 0.00 O ATOM 0 H ASP A 23 13.687 -2.031 4.860 1.00 0.00 H new ATOM 0 HA ASP A 23 12.134 -1.375 7.152 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.608 -0.777 6.410 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.843 0.593 5.630 1.00 0.00 H new ATOM 314 N MET A 24 11.408 0.121 4.313 1.00 0.00 N ATOM 315 CA MET A 24 10.406 0.940 3.639 1.00 0.00 C ATOM 316 C MET A 24 8.998 0.523 4.051 1.00 0.00 C ATOM 317 O MET A 24 8.126 1.368 4.255 1.00 0.00 O ATOM 318 CB MET A 24 10.561 0.827 2.122 1.00 0.00 C ATOM 319 CG MET A 24 11.581 1.794 1.541 1.00 0.00 C ATOM 320 SD MET A 24 10.851 3.376 1.076 1.00 0.00 S ATOM 321 CE MET A 24 10.626 3.140 -0.685 1.00 0.00 C ATOM 0 H MET A 24 12.124 -0.262 3.696 1.00 0.00 H new ATOM 0 HA MET A 24 10.560 1.977 3.936 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.854 -0.192 1.870 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.594 1.006 1.652 1.00 0.00 H new ATOM 0 HG2 MET A 24 12.372 1.964 2.271 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.047 1.342 0.666 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.722 4.098 -1.196 1.00 0.00 H new ATOM 0 HE2 MET A 24 11.384 2.452 -1.060 1.00 0.00 H new ATOM 0 HE3 MET A 24 9.635 2.726 -0.873 1.00 0.00 H new ATOM 331 N MET A 25 8.783 -0.783 4.171 1.00 0.00 N ATOM 332 CA MET A 25 7.480 -1.310 4.559 1.00 0.00 C ATOM 333 C MET A 25 7.028 -0.716 5.889 1.00 0.00 C ATOM 334 O MET A 25 5.831 -0.581 6.145 1.00 0.00 O ATOM 335 CB MET A 25 7.532 -2.835 4.660 1.00 0.00 C ATOM 336 CG MET A 25 7.185 -3.543 3.360 1.00 0.00 C ATOM 337 SD MET A 25 5.429 -3.931 3.228 1.00 0.00 S ATOM 338 CE MET A 25 4.841 -2.525 2.289 1.00 0.00 C ATOM 0 H MET A 25 9.494 -1.495 4.005 1.00 0.00 H new ATOM 0 HA MET A 25 6.759 -1.029 3.791 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.532 -3.136 4.972 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.843 -3.163 5.438 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.479 -2.915 2.519 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.763 -4.464 3.287 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.878 -2.765 1.839 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.729 -1.667 2.951 1.00 0.00 H new ATOM 0 HE3 MET A 25 5.558 -2.286 1.504 1.00 0.00 H new ATOM 348 N ARG A 26 7.992 -0.363 6.733 1.00 0.00 N ATOM 349 CA ARG A 26 7.692 0.215 8.038 1.00 0.00 C ATOM 350 C ARG A 26 7.502 1.725 7.932 1.00 0.00 C ATOM 351 O ARG A 26 6.477 2.262 8.353 1.00 0.00 O ATOM 352 CB ARG A 26 8.813 -0.101 9.029 1.00 0.00 C ATOM 353 CG ARG A 26 8.357 -0.120 10.479 1.00 0.00 C ATOM 354 CD ARG A 26 9.203 -1.067 11.316 1.00 0.00 C ATOM 355 NE ARG A 26 8.671 -2.427 11.310 1.00 0.00 N ATOM 356 CZ ARG A 26 9.329 -3.476 11.789 1.00 0.00 C ATOM 357 NH1 ARG A 26 10.538 -3.322 12.311 1.00 0.00 N ATOM 358 NH2 ARG A 26 8.778 -4.683 11.748 1.00 0.00 N ATOM 0 H ARG A 26 8.988 -0.467 6.537 1.00 0.00 H new ATOM 0 HA ARG A 26 6.763 -0.226 8.399 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.244 -1.071 8.780 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.606 0.639 8.916 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.417 0.886 10.894 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.311 -0.424 10.529 1.00 0.00 H new ATOM 0 HD2 ARG A 26 10.224 -1.075 10.933 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.250 -0.701 12.342 1.00 0.00 H new ATOM 0 HE ARG A 26 7.743 -2.579 10.916 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.965 -2.396 12.345 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.042 -4.129 12.678 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.848 -4.806 11.348 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.285 -5.488 12.116 1.00 0.00 H new ATOM 372 N GLU A 27 8.496 2.404 7.369 1.00 0.00 N ATOM 373 CA GLU A 27 8.438 3.853 7.211 1.00 0.00 C ATOM 374 C GLU A 27 7.184 4.266 6.446 1.00 0.00 C ATOM 375 O GLU A 27 6.487 5.203 6.836 1.00 0.00 O ATOM 376 CB GLU A 27 9.684 4.359 6.481 1.00 0.00 C ATOM 377 CG GLU A 27 9.656 5.850 6.192 1.00 0.00 C ATOM 378 CD GLU A 27 11.040 6.425 5.959 1.00 0.00 C ATOM 379 OE1 GLU A 27 12.015 5.644 5.967 1.00 0.00 O ATOM 380 OE2 GLU A 27 11.148 7.654 5.768 1.00 0.00 O ATOM 0 H GLU A 27 9.351 1.975 7.015 1.00 0.00 H new ATOM 0 HA GLU A 27 8.401 4.300 8.204 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.565 4.130 7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.789 3.817 5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.037 6.035 5.314 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.187 6.370 7.027 1.00 0.00 H new ATOM 387 N ILE A 28 6.904 3.561 5.355 1.00 0.00 N ATOM 388 CA ILE A 28 5.735 3.854 4.536 1.00 0.00 C ATOM 389 C ILE A 28 4.493 4.049 5.399 1.00 0.00 C ATOM 390 O ILE A 28 3.759 5.024 5.237 1.00 0.00 O ATOM 391 CB ILE A 28 5.466 2.731 3.516 1.00 0.00 C ATOM 392 CG1 ILE A 28 6.512 2.765 2.400 1.00 0.00 C ATOM 393 CG2 ILE A 28 4.064 2.863 2.940 1.00 0.00 C ATOM 394 CD1 ILE A 28 6.566 1.492 1.584 1.00 0.00 C ATOM 0 H ILE A 28 7.471 2.783 5.018 1.00 0.00 H new ATOM 0 HA ILE A 28 5.950 4.778 3.999 1.00 0.00 H new ATOM 0 HB ILE A 28 5.538 1.771 4.027 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.297 3.603 1.737 1.00 0.00 H new ATOM 0 HG13 ILE A 28 7.493 2.948 2.838 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.889 2.063 2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.332 2.794 3.745 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.965 3.827 2.441 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.329 1.587 0.812 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.811 0.653 2.235 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.597 1.318 1.117 1.00 0.00 H new ATOM 406 N ARG A 29 4.266 3.117 6.318 1.00 0.00 N ATOM 407 CA ARG A 29 3.114 3.186 7.209 1.00 0.00 C ATOM 408 C ARG A 29 3.314 4.260 8.275 1.00 0.00 C ATOM 409 O ARG A 29 2.460 5.125 8.468 1.00 0.00 O ATOM 410 CB ARG A 29 2.874 1.830 7.875 1.00 0.00 C ATOM 411 CG ARG A 29 2.239 0.802 6.952 1.00 0.00 C ATOM 412 CD ARG A 29 2.285 -0.592 7.556 1.00 0.00 C ATOM 413 NE ARG A 29 3.635 -1.149 7.545 1.00 0.00 N ATOM 414 CZ ARG A 29 3.937 -2.355 8.013 1.00 0.00 C ATOM 415 NH1 ARG A 29 2.988 -3.127 8.526 1.00 0.00 N ATOM 416 NH2 ARG A 29 5.189 -2.792 7.968 1.00 0.00 N ATOM 0 H ARG A 29 4.865 2.305 6.465 1.00 0.00 H new ATOM 0 HA ARG A 29 2.241 3.449 6.612 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.824 1.440 8.240 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.232 1.970 8.745 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.204 1.080 6.754 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.758 0.802 5.994 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.916 -0.555 8.581 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.617 -1.250 7.000 1.00 0.00 H new ATOM 0 HE ARG A 29 4.388 -0.581 7.156 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.024 -2.795 8.562 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.222 -4.053 8.885 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.921 -2.202 7.574 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.419 -3.718 8.328 1.00 0.00 H new ATOM 430 N LYS A 30 4.448 4.197 8.964 1.00 0.00 N ATOM 431 CA LYS A 30 4.763 5.163 10.010 1.00 0.00 C ATOM 432 C LYS A 30 4.302 6.562 9.614 1.00 0.00 C ATOM 433 O LYS A 30 3.717 7.285 10.421 1.00 0.00 O ATOM 434 CB LYS A 30 6.267 5.170 10.291 1.00 0.00 C ATOM 435 CG LYS A 30 6.699 6.254 11.263 1.00 0.00 C ATOM 436 CD LYS A 30 8.113 6.019 11.767 1.00 0.00 C ATOM 437 CE LYS A 30 8.763 7.315 12.229 1.00 0.00 C ATOM 438 NZ LYS A 30 10.016 7.065 12.994 1.00 0.00 N ATOM 0 H LYS A 30 5.165 3.487 8.817 1.00 0.00 H new ATOM 0 HA LYS A 30 4.233 4.867 10.915 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.558 4.198 10.691 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.803 5.302 9.351 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.643 7.226 10.774 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.011 6.282 12.108 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.093 5.307 12.592 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.713 5.572 10.975 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.984 7.939 11.363 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.062 7.871 12.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.428 7.972 13.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.801 6.491 13.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.695 6.557 12.392 1.00 0.00 H new ATOM 452 N VAL A 31 4.569 6.938 8.368 1.00 0.00 N ATOM 453 CA VAL A 31 4.179 8.250 7.864 1.00 0.00 C ATOM 454 C VAL A 31 2.663 8.369 7.755 1.00 0.00 C ATOM 455 O VAL A 31 2.046 9.204 8.417 1.00 0.00 O ATOM 456 CB VAL A 31 4.806 8.531 6.486 1.00 0.00 C ATOM 457 CG1 VAL A 31 4.359 9.888 5.963 1.00 0.00 C ATOM 458 CG2 VAL A 31 6.323 8.453 6.564 1.00 0.00 C ATOM 0 H VAL A 31 5.054 6.353 7.688 1.00 0.00 H new ATOM 0 HA VAL A 31 4.547 8.986 8.579 1.00 0.00 H new ATOM 0 HB VAL A 31 4.462 7.768 5.788 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.812 10.069 4.988 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.273 9.901 5.867 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.671 10.667 6.659 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.749 8.654 5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.689 9.192 7.276 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.620 7.456 6.891 1.00 0.00 H new ATOM 468 N LEU A 32 2.068 7.528 6.917 1.00 0.00 N ATOM 469 CA LEU A 32 0.623 7.537 6.721 1.00 0.00 C ATOM 470 C LEU A 32 -0.104 7.791 8.038 1.00 0.00 C ATOM 471 O LEU A 32 -0.740 8.829 8.217 1.00 0.00 O ATOM 472 CB LEU A 32 0.161 6.209 6.119 1.00 0.00 C ATOM 473 CG LEU A 32 0.798 5.819 4.784 1.00 0.00 C ATOM 474 CD1 LEU A 32 0.643 4.327 4.534 1.00 0.00 C ATOM 475 CD2 LEU A 32 0.182 6.620 3.646 1.00 0.00 C ATOM 0 H LEU A 32 2.564 6.831 6.362 1.00 0.00 H new ATOM 0 HA LEU A 32 0.381 8.345 6.031 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.362 5.417 6.840 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.920 6.251 5.985 1.00 0.00 H new ATOM 0 HG LEU A 32 1.862 6.049 4.829 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.102 4.068 3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.132 3.771 5.334 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.416 4.070 4.508 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.647 6.330 2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.889 6.421 3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.346 7.684 3.819 1.00 0.00 H new ATOM 487 N GLY A 33 -0.002 6.837 8.958 1.00 0.00 N ATOM 488 CA GLY A 33 -0.652 6.978 10.248 1.00 0.00 C ATOM 489 C GLY A 33 -0.603 8.400 10.770 1.00 0.00 C ATOM 490 O GLY A 33 -1.589 8.907 11.302 1.00 0.00 O ATOM 0 H GLY A 33 0.519 5.969 8.833 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.691 6.661 10.164 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.173 6.314 10.967 1.00 0.00 H new ATOM 494 N ALA A 34 0.550 9.044 10.620 1.00 0.00 N ATOM 495 CA ALA A 34 0.725 10.416 11.080 1.00 0.00 C ATOM 496 C ALA A 34 -0.301 11.344 10.440 1.00 0.00 C ATOM 497 O ALA A 34 -0.921 12.162 11.118 1.00 0.00 O ATOM 498 CB ALA A 34 2.136 10.898 10.779 1.00 0.00 C ATOM 0 H ALA A 34 1.377 8.637 10.183 1.00 0.00 H new ATOM 0 HA ALA A 34 0.570 10.434 12.159 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.252 11.924 11.128 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.856 10.258 11.289 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.313 10.858 9.704 1.00 0.00 H new ATOM 504 N ASN A 35 -0.476 11.212 9.129 1.00 0.00 N ATOM 505 CA ASN A 35 -1.426 12.041 8.397 1.00 0.00 C ATOM 506 C ASN A 35 -2.832 11.453 8.472 1.00 0.00 C ATOM 507 O ASN A 35 -3.622 11.585 7.539 1.00 0.00 O ATOM 508 CB ASN A 35 -0.996 12.176 6.934 1.00 0.00 C ATOM 509 CG ASN A 35 0.155 13.147 6.758 1.00 0.00 C ATOM 510 OD1 ASN A 35 -0.008 14.357 6.920 1.00 0.00 O ATOM 511 ND2 ASN A 35 1.327 12.621 6.424 1.00 0.00 N ATOM 0 H ASN A 35 0.028 10.539 8.552 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.439 13.028 8.858 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.704 11.198 6.552 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.845 12.511 6.338 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.138 13.225 6.291 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.417 11.613 6.300 1.00 0.00 H new ATOM 518 N ASN A 36 -3.136 10.803 9.591 1.00 0.00 N ATOM 519 CA ASN A 36 -4.447 10.194 9.790 1.00 0.00 C ATOM 520 C ASN A 36 -4.899 9.455 8.534 1.00 0.00 C ATOM 521 O ASN A 36 -6.082 9.456 8.193 1.00 0.00 O ATOM 522 CB ASN A 36 -5.476 11.262 10.165 1.00 0.00 C ATOM 523 CG ASN A 36 -4.983 12.179 11.268 1.00 0.00 C ATOM 524 OD1 ASN A 36 -4.227 13.118 11.017 1.00 0.00 O ATOM 525 ND2 ASN A 36 -5.410 11.910 12.496 1.00 0.00 N ATOM 0 H ASN A 36 -2.493 10.684 10.374 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.367 9.474 10.605 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.717 11.856 9.283 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.399 10.777 10.485 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.112 12.492 13.279 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.036 11.121 12.657 1.00 0.00 H new ATOM 532 N CYS A 37 -3.949 8.825 7.851 1.00 0.00 N ATOM 533 CA CYS A 37 -4.249 8.082 6.633 1.00 0.00 C ATOM 534 C CYS A 37 -4.498 6.609 6.942 1.00 0.00 C ATOM 535 O CYS A 37 -3.953 6.065 7.903 1.00 0.00 O ATOM 536 CB CYS A 37 -3.101 8.218 5.632 1.00 0.00 C ATOM 537 SG CYS A 37 -3.094 9.782 4.725 1.00 0.00 S ATOM 0 H CYS A 37 -2.965 8.814 8.120 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.155 8.501 6.195 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.155 8.115 6.164 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.157 7.396 4.918 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.927 10.610 5.281 1.00 0.00 H new ATOM 543 N ASP A 38 -5.326 5.970 6.123 1.00 0.00 N ATOM 544 CA ASP A 38 -5.648 4.560 6.309 1.00 0.00 C ATOM 545 C ASP A 38 -4.828 3.686 5.366 1.00 0.00 C ATOM 546 O ASP A 38 -4.840 3.885 4.151 1.00 0.00 O ATOM 547 CB ASP A 38 -7.141 4.321 6.077 1.00 0.00 C ATOM 548 CG ASP A 38 -7.678 3.168 6.902 1.00 0.00 C ATOM 549 OD1 ASP A 38 -7.655 3.268 8.146 1.00 0.00 O ATOM 550 OD2 ASP A 38 -8.121 2.165 6.304 1.00 0.00 O ATOM 0 H ASP A 38 -5.786 6.406 5.324 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.399 4.288 7.335 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.694 5.228 6.323 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.314 4.119 5.020 1.00 0.00 H new ATOM 555 N TYR A 39 -4.115 2.719 5.933 1.00 0.00 N ATOM 556 CA TYR A 39 -3.286 1.816 5.144 1.00 0.00 C ATOM 557 C TYR A 39 -3.676 0.362 5.389 1.00 0.00 C ATOM 558 O TYR A 39 -4.056 -0.010 6.499 1.00 0.00 O ATOM 559 CB TYR A 39 -1.808 2.023 5.480 1.00 0.00 C ATOM 560 CG TYR A 39 -1.496 1.881 6.952 1.00 0.00 C ATOM 561 CD1 TYR A 39 -1.583 2.972 7.809 1.00 0.00 C ATOM 562 CD2 TYR A 39 -1.114 0.657 7.487 1.00 0.00 C ATOM 563 CE1 TYR A 39 -1.298 2.848 9.155 1.00 0.00 C ATOM 564 CE2 TYR A 39 -0.829 0.523 8.832 1.00 0.00 C ATOM 565 CZ TYR A 39 -0.922 1.621 9.662 1.00 0.00 C ATOM 566 OH TYR A 39 -0.638 1.492 11.002 1.00 0.00 O ATOM 0 H TYR A 39 -4.095 2.540 6.937 1.00 0.00 H new ATOM 0 HA TYR A 39 -3.448 2.043 4.090 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.212 1.302 4.920 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.504 3.015 5.147 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.879 3.933 7.416 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.039 -0.205 6.840 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.369 3.706 9.807 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.535 -0.436 9.232 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.391 0.564 11.196 1.00 0.00 H new ATOM 576 N GLU A 40 -3.578 -0.455 4.345 1.00 0.00 N ATOM 577 CA GLU A 40 -3.921 -1.868 4.447 1.00 0.00 C ATOM 578 C GLU A 40 -2.931 -2.726 3.665 1.00 0.00 C ATOM 579 O GLU A 40 -2.741 -2.533 2.464 1.00 0.00 O ATOM 580 CB GLU A 40 -5.341 -2.110 3.931 1.00 0.00 C ATOM 581 CG GLU A 40 -5.899 -3.474 4.300 1.00 0.00 C ATOM 582 CD GLU A 40 -7.280 -3.716 3.722 1.00 0.00 C ATOM 583 OE1 GLU A 40 -8.174 -2.873 3.947 1.00 0.00 O ATOM 584 OE2 GLU A 40 -7.466 -4.748 3.044 1.00 0.00 O ATOM 0 H GLU A 40 -3.264 -0.163 3.420 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.871 -2.152 5.498 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.999 -1.338 4.329 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.347 -2.006 2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.220 -4.249 3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.943 -3.563 5.385 1.00 0.00 H new ATOM 591 N GLN A 41 -2.304 -3.673 4.354 1.00 0.00 N ATOM 592 CA GLN A 41 -1.333 -4.560 3.724 1.00 0.00 C ATOM 593 C GLN A 41 -2.018 -5.520 2.758 1.00 0.00 C ATOM 594 O GLN A 41 -2.542 -6.557 3.165 1.00 0.00 O ATOM 595 CB GLN A 41 -0.566 -5.349 4.787 1.00 0.00 C ATOM 596 CG GLN A 41 0.747 -5.929 4.286 1.00 0.00 C ATOM 597 CD GLN A 41 1.715 -4.861 3.817 1.00 0.00 C ATOM 598 OE1 GLN A 41 1.877 -3.826 4.465 1.00 0.00 O ATOM 599 NE2 GLN A 41 2.366 -5.106 2.686 1.00 0.00 N ATOM 0 H GLN A 41 -2.451 -3.846 5.348 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.631 -3.946 3.160 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.365 -4.697 5.637 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.197 -6.160 5.151 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.211 -6.510 5.083 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.546 -6.618 3.465 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.201 -5.977 2.181 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.031 -4.423 2.322 1.00 0.00 H new ATOM 608 N ARG A 42 -2.011 -5.167 1.476 1.00 0.00 N ATOM 609 CA ARG A 42 -2.634 -5.997 0.452 1.00 0.00 C ATOM 610 C ARG A 42 -1.673 -7.081 -0.027 1.00 0.00 C ATOM 611 O ARG A 42 -1.820 -8.252 0.322 1.00 0.00 O ATOM 612 CB ARG A 42 -3.078 -5.135 -0.731 1.00 0.00 C ATOM 613 CG ARG A 42 -4.497 -4.605 -0.599 1.00 0.00 C ATOM 614 CD ARG A 42 -5.515 -5.597 -1.138 1.00 0.00 C ATOM 615 NE ARG A 42 -6.845 -5.006 -1.256 1.00 0.00 N ATOM 616 CZ ARG A 42 -7.886 -5.639 -1.788 1.00 0.00 C ATOM 617 NH1 ARG A 42 -7.750 -6.875 -2.247 1.00 0.00 N ATOM 618 NH2 ARG A 42 -9.065 -5.034 -1.860 1.00 0.00 N ATOM 0 H ARG A 42 -1.581 -4.312 1.122 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.508 -6.478 0.891 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.393 -4.294 -0.834 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.002 -5.722 -1.646 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.712 -4.395 0.449 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.586 -3.662 -1.138 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.190 -5.956 -2.115 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.561 -6.464 -0.479 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.983 -4.056 -0.912 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.845 -7.343 -2.192 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.550 -7.359 -2.655 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.173 -4.083 -1.507 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.863 -5.520 -2.268 1.00 0.00 H new ATOM 632 N GLU A 43 -0.691 -6.683 -0.830 1.00 0.00 N ATOM 633 CA GLU A 43 0.292 -7.622 -1.357 1.00 0.00 C ATOM 634 C GLU A 43 1.499 -7.724 -0.429 1.00 0.00 C ATOM 635 O GLU A 43 1.608 -6.985 0.549 1.00 0.00 O ATOM 636 CB GLU A 43 0.744 -7.190 -2.754 1.00 0.00 C ATOM 637 CG GLU A 43 -0.400 -6.765 -3.660 1.00 0.00 C ATOM 638 CD GLU A 43 -1.203 -7.943 -4.176 1.00 0.00 C ATOM 639 OE1 GLU A 43 -1.357 -8.931 -3.428 1.00 0.00 O ATOM 640 OE2 GLU A 43 -1.679 -7.876 -5.329 1.00 0.00 O ATOM 0 H GLU A 43 -0.555 -5.717 -1.129 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.178 -8.603 -1.422 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.448 -6.363 -2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.281 -8.014 -3.224 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.060 -6.091 -3.114 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.000 -6.204 -4.505 1.00 0.00 H new ATOM 647 N ARG A 44 2.403 -8.646 -0.744 1.00 0.00 N ATOM 648 CA ARG A 44 3.601 -8.848 0.062 1.00 0.00 C ATOM 649 C ARG A 44 4.320 -7.525 0.308 1.00 0.00 C ATOM 650 O ARG A 44 4.821 -7.273 1.403 1.00 0.00 O ATOM 651 CB ARG A 44 4.546 -9.834 -0.628 1.00 0.00 C ATOM 652 CG ARG A 44 4.802 -9.509 -2.091 1.00 0.00 C ATOM 653 CD ARG A 44 5.964 -10.318 -2.646 1.00 0.00 C ATOM 654 NE ARG A 44 5.851 -10.521 -4.088 1.00 0.00 N ATOM 655 CZ ARG A 44 6.757 -11.167 -4.812 1.00 0.00 C ATOM 656 NH1 ARG A 44 7.837 -11.672 -4.233 1.00 0.00 N ATOM 657 NH2 ARG A 44 6.582 -11.311 -6.120 1.00 0.00 N ATOM 0 H ARG A 44 2.329 -9.265 -1.551 1.00 0.00 H new ATOM 0 HA ARG A 44 3.296 -9.260 1.024 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.497 -9.846 -0.095 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.127 -10.838 -0.555 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.904 -9.714 -2.673 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.014 -8.445 -2.197 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.900 -9.806 -2.424 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.004 -11.286 -2.146 1.00 0.00 H new ATOM 0 HE ARG A 44 5.031 -10.146 -4.565 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.974 -11.565 -3.228 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.531 -12.168 -4.792 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.751 -10.925 -6.569 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.278 -11.807 -6.676 1.00 0.00 H new ATOM 671 N PHE A 45 4.366 -6.683 -0.720 1.00 0.00 N ATOM 672 CA PHE A 45 5.025 -5.386 -0.616 1.00 0.00 C ATOM 673 C PHE A 45 4.154 -4.285 -1.213 1.00 0.00 C ATOM 674 O PHE A 45 4.650 -3.387 -1.896 1.00 0.00 O ATOM 675 CB PHE A 45 6.381 -5.421 -1.325 1.00 0.00 C ATOM 676 CG PHE A 45 7.464 -6.073 -0.515 1.00 0.00 C ATOM 677 CD1 PHE A 45 7.659 -7.444 -0.569 1.00 0.00 C ATOM 678 CD2 PHE A 45 8.288 -5.315 0.302 1.00 0.00 C ATOM 679 CE1 PHE A 45 8.655 -8.047 0.175 1.00 0.00 C ATOM 680 CE2 PHE A 45 9.287 -5.913 1.048 1.00 0.00 C ATOM 681 CZ PHE A 45 9.470 -7.280 0.985 1.00 0.00 C ATOM 0 H PHE A 45 3.955 -6.876 -1.634 1.00 0.00 H new ATOM 0 HA PHE A 45 5.181 -5.169 0.441 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.274 -5.954 -2.270 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.682 -4.402 -1.566 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.025 -8.049 -1.200 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.148 -4.245 0.357 1.00 0.00 H new ATOM 0 HE1 PHE A 45 8.796 -9.116 0.123 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.924 -5.311 1.680 1.00 0.00 H new ATOM 0 HZ PHE A 45 10.249 -7.749 1.568 1.00 0.00 H new ATOM 691 N LEU A 46 2.854 -4.360 -0.952 1.00 0.00 N ATOM 692 CA LEU A 46 1.913 -3.370 -1.463 1.00 0.00 C ATOM 693 C LEU A 46 0.893 -2.985 -0.395 1.00 0.00 C ATOM 694 O LEU A 46 0.402 -3.838 0.345 1.00 0.00 O ATOM 695 CB LEU A 46 1.193 -3.912 -2.699 1.00 0.00 C ATOM 696 CG LEU A 46 0.477 -2.877 -3.567 1.00 0.00 C ATOM 697 CD1 LEU A 46 0.457 -3.321 -5.021 1.00 0.00 C ATOM 698 CD2 LEU A 46 -0.939 -2.643 -3.060 1.00 0.00 C ATOM 0 H LEU A 46 2.427 -5.096 -0.389 1.00 0.00 H new ATOM 0 HA LEU A 46 2.476 -2.479 -1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.921 -4.435 -3.319 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.462 -4.652 -2.373 1.00 0.00 H new ATOM 0 HG LEU A 46 1.025 -1.937 -3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.057 -2.572 -5.623 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.480 -3.437 -5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.066 -4.274 -5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.433 -1.903 -3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.497 -3.579 -3.093 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.902 -2.279 -2.033 1.00 0.00 H new ATOM 710 N LEU A 47 0.578 -1.697 -0.322 1.00 0.00 N ATOM 711 CA LEU A 47 -0.385 -1.199 0.654 1.00 0.00 C ATOM 712 C LEU A 47 -1.451 -0.343 -0.022 1.00 0.00 C ATOM 713 O LEU A 47 -1.311 0.040 -1.184 1.00 0.00 O ATOM 714 CB LEU A 47 0.329 -0.385 1.734 1.00 0.00 C ATOM 715 CG LEU A 47 0.989 -1.190 2.854 1.00 0.00 C ATOM 716 CD1 LEU A 47 2.204 -0.453 3.397 1.00 0.00 C ATOM 717 CD2 LEU A 47 -0.008 -1.471 3.969 1.00 0.00 C ATOM 0 H LEU A 47 0.975 -0.978 -0.927 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.873 -2.057 1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.093 0.227 1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.392 0.299 2.182 1.00 0.00 H new ATOM 0 HG LEU A 47 1.321 -2.143 2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.660 -1.041 4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.927 -0.304 2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.896 0.515 3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.480 -2.045 4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.371 -0.528 4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.847 -2.041 3.571 1.00 0.00 H new ATOM 729 N PHE A 48 -2.517 -0.045 0.714 1.00 0.00 N ATOM 730 CA PHE A 48 -3.608 0.768 0.186 1.00 0.00 C ATOM 731 C PHE A 48 -3.814 2.018 1.036 1.00 0.00 C ATOM 732 O PHE A 48 -4.400 1.957 2.118 1.00 0.00 O ATOM 733 CB PHE A 48 -4.901 -0.048 0.136 1.00 0.00 C ATOM 734 CG PHE A 48 -5.972 0.578 -0.710 1.00 0.00 C ATOM 735 CD1 PHE A 48 -5.986 0.393 -2.083 1.00 0.00 C ATOM 736 CD2 PHE A 48 -6.966 1.352 -0.132 1.00 0.00 C ATOM 737 CE1 PHE A 48 -6.970 0.970 -2.864 1.00 0.00 C ATOM 738 CE2 PHE A 48 -7.953 1.930 -0.907 1.00 0.00 C ATOM 739 CZ PHE A 48 -7.956 1.738 -2.275 1.00 0.00 C ATOM 0 H PHE A 48 -2.649 -0.354 1.677 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.343 1.077 -0.825 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.679 -1.043 -0.250 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.279 -0.177 1.150 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.219 -0.209 -2.548 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.969 1.505 0.937 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -6.968 0.821 -3.934 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.721 2.531 -0.444 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.727 2.187 -2.883 1.00 0.00 H new ATOM 749 N CYS A 49 -3.329 3.150 0.538 1.00 0.00 N ATOM 750 CA CYS A 49 -3.459 4.416 1.251 1.00 0.00 C ATOM 751 C CYS A 49 -4.837 5.030 1.023 1.00 0.00 C ATOM 752 O CYS A 49 -5.461 4.813 -0.015 1.00 0.00 O ATOM 753 CB CYS A 49 -2.372 5.393 0.801 1.00 0.00 C ATOM 754 SG CYS A 49 -0.687 4.785 1.046 1.00 0.00 S ATOM 0 H CYS A 49 -2.843 3.217 -0.356 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.341 4.218 2.316 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.516 5.618 -0.256 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.492 6.329 1.346 1.00 0.00 H new ATOM 0 HG CYS A 49 0.145 5.537 0.389 1.00 0.00 H new ATOM 760 N VAL A 50 -5.307 5.797 2.002 1.00 0.00 N ATOM 761 CA VAL A 50 -6.611 6.441 1.909 1.00 0.00 C ATOM 762 C VAL A 50 -6.665 7.699 2.769 1.00 0.00 C ATOM 763 O VAL A 50 -6.362 7.663 3.962 1.00 0.00 O ATOM 764 CB VAL A 50 -7.741 5.488 2.342 1.00 0.00 C ATOM 765 CG1 VAL A 50 -9.075 6.218 2.368 1.00 0.00 C ATOM 766 CG2 VAL A 50 -7.802 4.281 1.419 1.00 0.00 C ATOM 0 H VAL A 50 -4.804 5.987 2.868 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.756 6.712 0.863 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.528 5.135 3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.861 5.529 2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.022 7.047 3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.299 6.602 1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.606 3.618 1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.991 4.613 0.398 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.853 3.746 1.457 1.00 0.00 H new ATOM 776 N HIS A 51 -7.053 8.813 2.155 1.00 0.00 N ATOM 777 CA HIS A 51 -7.148 10.084 2.865 1.00 0.00 C ATOM 778 C HIS A 51 -8.213 10.978 2.237 1.00 0.00 C ATOM 779 O HIS A 51 -8.459 10.917 1.033 1.00 0.00 O ATOM 780 CB HIS A 51 -5.796 10.798 2.857 1.00 0.00 C ATOM 781 CG HIS A 51 -5.634 11.784 3.973 1.00 0.00 C ATOM 782 ND1 HIS A 51 -5.533 11.599 5.310 1.00 0.00 N flip ATOM 783 CD2 HIS A 51 -5.559 13.146 3.769 1.00 0.00 C flip ATOM 784 CE1 HIS A 51 -5.400 12.839 5.884 1.00 0.00 C flip ATOM 785 NE2 HIS A 51 -5.418 13.756 4.933 1.00 0.00 N flip ATOM 0 H HIS A 51 -7.306 8.861 1.168 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.435 9.877 3.896 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.001 10.055 2.921 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.673 11.315 1.905 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.608 13.637 2.808 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.297 13.033 6.941 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -5.337 14.763 5.073 1.00 0.00 H new ATOM 794 N GLY A 52 -8.844 11.808 3.063 1.00 0.00 N ATOM 795 CA GLY A 52 -9.875 12.702 2.571 1.00 0.00 C ATOM 796 C GLY A 52 -9.469 14.160 2.657 1.00 0.00 C ATOM 797 O GLY A 52 -9.660 14.922 1.709 1.00 0.00 O ATOM 0 H GLY A 52 -8.659 11.877 4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.104 12.452 1.535 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.789 12.548 3.145 1.00 0.00 H new ATOM 801 N ASP A 53 -8.909 14.550 3.797 1.00 0.00 N ATOM 802 CA ASP A 53 -8.475 15.926 4.004 1.00 0.00 C ATOM 803 C ASP A 53 -9.544 16.909 3.537 1.00 0.00 C ATOM 804 O ASP A 53 -9.249 17.876 2.835 1.00 0.00 O ATOM 805 CB ASP A 53 -7.164 16.188 3.260 1.00 0.00 C ATOM 806 CG ASP A 53 -6.469 17.448 3.737 1.00 0.00 C ATOM 807 OD1 ASP A 53 -6.841 18.544 3.269 1.00 0.00 O ATOM 808 OD2 ASP A 53 -5.552 17.338 4.578 1.00 0.00 O ATOM 0 H ASP A 53 -8.745 13.932 4.592 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.313 16.073 5.072 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.497 15.336 3.394 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.366 16.270 2.192 1.00 0.00 H new ATOM 813 N GLY A 54 -10.788 16.655 3.933 1.00 0.00 N ATOM 814 CA GLY A 54 -11.882 17.525 3.544 1.00 0.00 C ATOM 815 C GLY A 54 -13.222 16.816 3.564 1.00 0.00 C ATOM 816 O GLY A 54 -13.638 16.288 4.596 1.00 0.00 O ATOM 0 H GLY A 54 -11.057 15.862 4.516 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.918 18.382 4.217 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -11.695 17.913 2.543 1.00 0.00 H new ATOM 820 N HIS A 55 -13.901 16.805 2.422 1.00 0.00 N ATOM 821 CA HIS A 55 -15.203 16.156 2.313 1.00 0.00 C ATOM 822 C HIS A 55 -15.049 14.695 1.903 1.00 0.00 C ATOM 823 O HIS A 55 -13.957 14.251 1.549 1.00 0.00 O ATOM 824 CB HIS A 55 -16.080 16.893 1.299 1.00 0.00 C ATOM 825 CG HIS A 55 -16.560 18.227 1.781 1.00 0.00 C ATOM 826 ND1 HIS A 55 -17.767 18.774 1.399 1.00 0.00 N ATOM 827 CD2 HIS A 55 -15.990 19.124 2.619 1.00 0.00 C ATOM 828 CE1 HIS A 55 -17.918 19.951 1.981 1.00 0.00 C ATOM 829 NE2 HIS A 55 -16.853 20.186 2.727 1.00 0.00 N ATOM 0 H HIS A 55 -13.572 17.238 1.559 1.00 0.00 H new ATOM 0 HA HIS A 55 -15.683 16.192 3.291 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -15.517 17.030 0.376 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -16.942 16.271 1.057 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -15.034 19.023 3.111 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -18.767 20.609 1.866 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -16.697 21.021 3.292 1.00 0.00 H new ATOM 838 N ALA A 56 -16.150 13.952 1.954 1.00 0.00 N ATOM 839 CA ALA A 56 -16.137 12.541 1.587 1.00 0.00 C ATOM 840 C ALA A 56 -16.183 12.368 0.072 1.00 0.00 C ATOM 841 O ALA A 56 -15.449 11.556 -0.491 1.00 0.00 O ATOM 842 CB ALA A 56 -17.304 11.815 2.239 1.00 0.00 C ATOM 0 H ALA A 56 -17.062 14.304 2.246 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.206 12.105 1.948 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -17.282 10.763 1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -17.226 11.901 3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -18.241 12.260 1.906 1.00 0.00 H new ATOM 848 N GLU A 57 -17.051 13.134 -0.580 1.00 0.00 N ATOM 849 CA GLU A 57 -17.194 13.063 -2.030 1.00 0.00 C ATOM 850 C GLU A 57 -15.862 13.339 -2.722 1.00 0.00 C ATOM 851 O GLU A 57 -15.702 13.074 -3.912 1.00 0.00 O ATOM 852 CB GLU A 57 -18.248 14.062 -2.511 1.00 0.00 C ATOM 853 CG GLU A 57 -19.647 13.766 -1.997 1.00 0.00 C ATOM 854 CD GLU A 57 -20.639 14.859 -2.343 1.00 0.00 C ATOM 855 OE1 GLU A 57 -20.703 15.860 -1.599 1.00 0.00 O ATOM 856 OE2 GLU A 57 -21.351 14.714 -3.359 1.00 0.00 O ATOM 0 H GLU A 57 -17.666 13.811 -0.128 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.516 12.054 -2.288 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -17.958 15.064 -2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -18.263 14.064 -3.601 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -19.992 12.821 -2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -19.613 13.640 -0.915 1.00 0.00 H new ATOM 863 N ASN A 58 -14.909 13.873 -1.965 1.00 0.00 N ATOM 864 CA ASN A 58 -13.591 14.187 -2.505 1.00 0.00 C ATOM 865 C ASN A 58 -12.516 13.319 -1.856 1.00 0.00 C ATOM 866 O ASN A 58 -11.386 13.763 -1.648 1.00 0.00 O ATOM 867 CB ASN A 58 -13.266 15.667 -2.288 1.00 0.00 C ATOM 868 CG ASN A 58 -14.176 16.581 -3.087 1.00 0.00 C ATOM 869 OD1 ASN A 58 -15.476 16.490 -2.833 1.00 0.00 O flip ATOM 870 ND2 ASN A 58 -13.714 17.358 -3.922 1.00 0.00 N flip ATOM 0 H ASN A 58 -15.025 14.097 -0.977 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.606 13.978 -3.575 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.356 15.905 -1.228 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -12.230 15.854 -2.569 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.708 17.394 -4.084 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -14.338 17.967 -4.452 1.00 0.00 H new ATOM 877 N LEU A 59 -12.876 12.081 -1.539 1.00 0.00 N ATOM 878 CA LEU A 59 -11.944 11.149 -0.914 1.00 0.00 C ATOM 879 C LEU A 59 -10.899 10.670 -1.916 1.00 0.00 C ATOM 880 O LEU A 59 -11.237 10.126 -2.968 1.00 0.00 O ATOM 881 CB LEU A 59 -12.699 9.952 -0.335 1.00 0.00 C ATOM 882 CG LEU A 59 -11.903 9.047 0.606 1.00 0.00 C ATOM 883 CD1 LEU A 59 -10.620 8.579 -0.062 1.00 0.00 C ATOM 884 CD2 LEU A 59 -11.595 9.772 1.909 1.00 0.00 C ATOM 0 H LEU A 59 -13.807 11.699 -1.704 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.433 11.672 -0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -13.571 10.324 0.203 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -13.069 9.346 -1.162 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.509 8.171 0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.067 7.936 0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.863 8.022 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.009 9.443 -0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.028 9.113 2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -11.009 10.666 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -12.528 10.056 2.396 1.00 0.00 H new ATOM 896 N VAL A 60 -9.629 10.872 -1.582 1.00 0.00 N ATOM 897 CA VAL A 60 -8.534 10.458 -2.452 1.00 0.00 C ATOM 898 C VAL A 60 -8.052 9.055 -2.098 1.00 0.00 C ATOM 899 O VAL A 60 -7.996 8.686 -0.925 1.00 0.00 O ATOM 900 CB VAL A 60 -7.346 11.434 -2.364 1.00 0.00 C ATOM 901 CG1 VAL A 60 -6.117 10.842 -3.036 1.00 0.00 C ATOM 902 CG2 VAL A 60 -7.711 12.774 -2.986 1.00 0.00 C ATOM 0 H VAL A 60 -9.332 11.320 -0.715 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.921 10.461 -3.471 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.111 11.599 -1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.288 11.546 -2.964 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.845 9.910 -2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.335 10.645 -4.086 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.860 13.452 -2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.973 12.629 -4.034 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.561 13.202 -2.455 1.00 0.00 H new ATOM 912 N GLN A 61 -7.704 8.279 -3.119 1.00 0.00 N ATOM 913 CA GLN A 61 -7.227 6.917 -2.915 1.00 0.00 C ATOM 914 C GLN A 61 -5.987 6.642 -3.759 1.00 0.00 C ATOM 915 O GLN A 61 -5.863 7.141 -4.878 1.00 0.00 O ATOM 916 CB GLN A 61 -8.327 5.911 -3.261 1.00 0.00 C ATOM 917 CG GLN A 61 -9.459 5.875 -2.247 1.00 0.00 C ATOM 918 CD GLN A 61 -10.275 4.601 -2.329 1.00 0.00 C ATOM 919 OE1 GLN A 61 -10.405 4.000 -3.396 1.00 0.00 O ATOM 920 NE2 GLN A 61 -10.831 4.180 -1.199 1.00 0.00 N ATOM 0 H GLN A 61 -7.743 8.570 -4.096 1.00 0.00 H new ATOM 0 HA GLN A 61 -6.961 6.806 -1.864 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.736 6.155 -4.241 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -7.887 4.917 -3.338 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -9.046 5.973 -1.243 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.113 6.732 -2.408 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -10.698 4.709 -0.337 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -11.391 3.328 -1.193 1.00 0.00 H new ATOM 929 N TRP A 62 -5.072 5.847 -3.217 1.00 0.00 N ATOM 930 CA TRP A 62 -3.841 5.507 -3.920 1.00 0.00 C ATOM 931 C TRP A 62 -3.098 4.384 -3.206 1.00 0.00 C ATOM 932 O TRP A 62 -3.119 4.297 -1.979 1.00 0.00 O ATOM 933 CB TRP A 62 -2.940 6.738 -4.038 1.00 0.00 C ATOM 934 CG TRP A 62 -2.254 7.096 -2.754 1.00 0.00 C ATOM 935 CD1 TRP A 62 -0.958 6.827 -2.414 1.00 0.00 C ATOM 936 CD2 TRP A 62 -2.828 7.787 -1.640 1.00 0.00 C ATOM 937 NE1 TRP A 62 -0.693 7.310 -1.156 1.00 0.00 N ATOM 938 CE2 TRP A 62 -1.823 7.904 -0.659 1.00 0.00 C ATOM 939 CE3 TRP A 62 -4.092 8.321 -1.376 1.00 0.00 C ATOM 940 CZ2 TRP A 62 -2.046 8.531 0.564 1.00 0.00 C ATOM 941 CZ3 TRP A 62 -4.312 8.943 -0.161 1.00 0.00 C ATOM 942 CH2 TRP A 62 -3.293 9.044 0.796 1.00 0.00 C ATOM 0 H TRP A 62 -5.159 5.426 -2.292 1.00 0.00 H new ATOM 0 HA TRP A 62 -4.106 5.163 -4.920 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -2.188 6.557 -4.806 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -3.538 7.586 -4.371 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.247 6.311 -3.042 1.00 0.00 H new ATOM 0 HE1 TRP A 62 0.201 7.238 -0.670 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.883 8.249 -2.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.263 8.610 1.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.286 9.358 0.054 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.496 9.537 1.735 1.00 0.00 H new ATOM 953 N GLU A 63 -2.442 3.527 -3.982 1.00 0.00 N ATOM 954 CA GLU A 63 -1.693 2.408 -3.420 1.00 0.00 C ATOM 955 C GLU A 63 -0.228 2.782 -3.217 1.00 0.00 C ATOM 956 O GLU A 63 0.197 3.883 -3.566 1.00 0.00 O ATOM 957 CB GLU A 63 -1.796 1.186 -4.335 1.00 0.00 C ATOM 958 CG GLU A 63 -3.220 0.856 -4.751 1.00 0.00 C ATOM 959 CD GLU A 63 -3.339 -0.517 -5.384 1.00 0.00 C ATOM 960 OE1 GLU A 63 -2.549 -0.819 -6.302 1.00 0.00 O ATOM 961 OE2 GLU A 63 -4.223 -1.290 -4.959 1.00 0.00 O ATOM 0 H GLU A 63 -2.414 3.586 -5.000 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.126 2.164 -2.450 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.196 1.360 -5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.366 0.324 -3.825 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.871 0.907 -3.878 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.572 1.609 -5.456 1.00 0.00 H new ATOM 968 N MET A 64 0.540 1.858 -2.649 1.00 0.00 N ATOM 969 CA MET A 64 1.957 2.090 -2.399 1.00 0.00 C ATOM 970 C MET A 64 2.711 0.769 -2.272 1.00 0.00 C ATOM 971 O MET A 64 2.410 -0.045 -1.400 1.00 0.00 O ATOM 972 CB MET A 64 2.144 2.921 -1.128 1.00 0.00 C ATOM 973 CG MET A 64 1.856 4.401 -1.322 1.00 0.00 C ATOM 974 SD MET A 64 2.369 5.398 0.090 1.00 0.00 S ATOM 975 CE MET A 64 4.040 5.829 -0.389 1.00 0.00 C ATOM 0 H MET A 64 0.204 0.941 -2.353 1.00 0.00 H new ATOM 0 HA MET A 64 2.364 2.640 -3.247 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.489 2.531 -0.349 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.168 2.802 -0.773 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.370 4.753 -2.217 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.788 4.540 -1.492 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.563 6.260 0.464 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.565 4.934 -0.722 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.010 6.555 -1.201 1.00 0.00 H new ATOM 985 N GLU A 65 3.689 0.565 -3.149 1.00 0.00 N ATOM 986 CA GLU A 65 4.483 -0.658 -3.134 1.00 0.00 C ATOM 987 C GLU A 65 5.961 -0.350 -3.354 1.00 0.00 C ATOM 988 O GLU A 65 6.311 0.620 -4.027 1.00 0.00 O ATOM 989 CB GLU A 65 3.987 -1.628 -4.210 1.00 0.00 C ATOM 990 CG GLU A 65 5.034 -2.639 -4.647 1.00 0.00 C ATOM 991 CD GLU A 65 5.870 -2.146 -5.812 1.00 0.00 C ATOM 992 OE1 GLU A 65 6.177 -0.936 -5.852 1.00 0.00 O ATOM 993 OE2 GLU A 65 6.217 -2.970 -6.684 1.00 0.00 O ATOM 0 H GLU A 65 3.950 1.229 -3.877 1.00 0.00 H new ATOM 0 HA GLU A 65 4.368 -1.123 -2.155 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.115 -2.161 -3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.660 -1.057 -5.079 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.688 -2.866 -3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.541 -3.570 -4.927 1.00 0.00 H new ATOM 1000 N VAL A 66 6.825 -1.182 -2.781 1.00 0.00 N ATOM 1001 CA VAL A 66 8.266 -0.999 -2.915 1.00 0.00 C ATOM 1002 C VAL A 66 8.832 -1.886 -4.018 1.00 0.00 C ATOM 1003 O VAL A 66 8.651 -3.104 -4.003 1.00 0.00 O ATOM 1004 CB VAL A 66 8.995 -1.311 -1.595 1.00 0.00 C ATOM 1005 CG1 VAL A 66 10.498 -1.144 -1.762 1.00 0.00 C ATOM 1006 CG2 VAL A 66 8.474 -0.422 -0.475 1.00 0.00 C ATOM 0 H VAL A 66 6.553 -1.989 -2.220 1.00 0.00 H new ATOM 0 HA VAL A 66 8.431 0.047 -3.174 1.00 0.00 H new ATOM 0 HB VAL A 66 8.796 -2.349 -1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.996 -1.369 -0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.856 -1.826 -2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.720 -0.117 -2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.000 -0.656 0.450 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.641 0.624 -0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.407 -0.596 -0.339 1.00 0.00 H new ATOM 1016 N CYS A 67 9.519 -1.268 -4.972 1.00 0.00 N ATOM 1017 CA CYS A 67 10.113 -2.002 -6.084 1.00 0.00 C ATOM 1018 C CYS A 67 11.610 -1.725 -6.180 1.00 0.00 C ATOM 1019 O CYS A 67 12.081 -0.656 -5.791 1.00 0.00 O ATOM 1020 CB CYS A 67 9.426 -1.623 -7.397 1.00 0.00 C ATOM 1021 SG CYS A 67 9.417 -2.942 -8.633 1.00 0.00 S ATOM 0 H CYS A 67 9.679 -0.261 -4.998 1.00 0.00 H new ATOM 0 HA CYS A 67 9.970 -3.067 -5.902 1.00 0.00 H new ATOM 0 HB2 CYS A 67 8.397 -1.331 -7.185 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.925 -0.750 -7.817 1.00 0.00 H new ATOM 0 HG CYS A 67 8.813 -2.527 -9.706 1.00 0.00 H new ATOM 1027 N LYS A 68 12.353 -2.695 -6.701 1.00 0.00 N ATOM 1028 CA LYS A 68 13.797 -2.558 -6.849 1.00 0.00 C ATOM 1029 C LYS A 68 14.159 -2.102 -8.259 1.00 0.00 C ATOM 1030 O LYS A 68 14.383 -2.924 -9.149 1.00 0.00 O ATOM 1031 CB LYS A 68 14.492 -3.885 -6.536 1.00 0.00 C ATOM 1032 CG LYS A 68 14.862 -4.048 -5.072 1.00 0.00 C ATOM 1033 CD LYS A 68 15.790 -5.232 -4.860 1.00 0.00 C ATOM 1034 CE LYS A 68 17.248 -4.836 -5.035 1.00 0.00 C ATOM 1035 NZ LYS A 68 18.173 -5.920 -4.604 1.00 0.00 N ATOM 0 H LYS A 68 11.979 -3.586 -7.028 1.00 0.00 H new ATOM 0 HA LYS A 68 14.139 -1.801 -6.143 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.838 -4.706 -6.830 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.395 -3.964 -7.141 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.344 -3.138 -4.714 1.00 0.00 H new ATOM 0 HG3 LYS A 68 13.957 -4.183 -4.480 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.640 -5.639 -3.860 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.539 -6.023 -5.567 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.435 -4.593 -6.081 1.00 0.00 H new ATOM 0 HE3 LYS A 68 17.451 -3.934 -4.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.157 -5.611 -4.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.012 -6.134 -3.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.997 -6.773 -5.172 1.00 0.00 H new ATOM 1049 N LEU A 69 14.215 -0.790 -8.456 1.00 0.00 N ATOM 1050 CA LEU A 69 14.551 -0.225 -9.758 1.00 0.00 C ATOM 1051 C LEU A 69 15.669 -1.021 -10.425 1.00 0.00 C ATOM 1052 O LEU A 69 16.669 -1.375 -9.800 1.00 0.00 O ATOM 1053 CB LEU A 69 14.970 1.238 -9.609 1.00 0.00 C ATOM 1054 CG LEU A 69 13.907 2.188 -9.057 1.00 0.00 C ATOM 1055 CD1 LEU A 69 14.554 3.304 -8.252 1.00 0.00 C ATOM 1056 CD2 LEU A 69 13.066 2.763 -10.188 1.00 0.00 C ATOM 0 H LEU A 69 14.032 -0.097 -7.730 1.00 0.00 H new ATOM 0 HA LEU A 69 13.664 -0.280 -10.390 1.00 0.00 H new ATOM 0 HB2 LEU A 69 15.841 1.281 -8.955 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.286 1.606 -10.585 1.00 0.00 H new ATOM 0 HG LEU A 69 13.252 1.623 -8.394 1.00 0.00 H new ATOM 0 HD11 LEU A 69 13.782 3.970 -7.867 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.112 2.876 -7.419 1.00 0.00 H new ATOM 0 HD13 LEU A 69 15.233 3.867 -8.892 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.315 3.437 -9.776 1.00 0.00 H new ATOM 0 HD22 LEU A 69 13.708 3.313 -10.876 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.572 1.952 -10.723 1.00 0.00 H new ATOM 1068 N PRO A 70 15.499 -1.308 -11.724 1.00 0.00 N ATOM 1069 CA PRO A 70 16.484 -2.062 -12.504 1.00 0.00 C ATOM 1070 C PRO A 70 17.763 -1.267 -12.746 1.00 0.00 C ATOM 1071 O PRO A 70 18.864 -1.751 -12.484 1.00 0.00 O ATOM 1072 CB PRO A 70 15.761 -2.328 -13.827 1.00 0.00 C ATOM 1073 CG PRO A 70 14.760 -1.230 -13.938 1.00 0.00 C ATOM 1074 CD PRO A 70 14.331 -0.917 -12.531 1.00 0.00 C ATOM 0 HA PRO A 70 16.805 -2.967 -11.989 1.00 0.00 H new ATOM 0 HB2 PRO A 70 16.456 -2.317 -14.667 1.00 0.00 H new ATOM 0 HB3 PRO A 70 15.278 -3.305 -13.825 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.194 -0.353 -14.418 1.00 0.00 H new ATOM 0 HG3 PRO A 70 13.909 -1.537 -14.546 1.00 0.00 H new ATOM 0 HD2 PRO A 70 14.094 0.140 -12.409 1.00 0.00 H new ATOM 0 HD3 PRO A 70 13.441 -1.478 -12.248 1.00 0.00 H new ATOM 1082 N ARG A 71 17.609 -0.046 -13.247 1.00 0.00 N ATOM 1083 CA ARG A 71 18.752 0.815 -13.525 1.00 0.00 C ATOM 1084 C ARG A 71 19.295 1.431 -12.238 1.00 0.00 C ATOM 1085 O ARG A 71 20.465 1.254 -11.898 1.00 0.00 O ATOM 1086 CB ARG A 71 18.358 1.922 -14.505 1.00 0.00 C ATOM 1087 CG ARG A 71 18.043 1.413 -15.902 1.00 0.00 C ATOM 1088 CD ARG A 71 18.323 2.473 -16.957 1.00 0.00 C ATOM 1089 NE ARG A 71 18.405 1.902 -18.298 1.00 0.00 N ATOM 1090 CZ ARG A 71 18.982 2.517 -19.325 1.00 0.00 C ATOM 1091 NH1 ARG A 71 19.524 3.716 -19.164 1.00 0.00 N ATOM 1092 NH2 ARG A 71 19.017 1.932 -20.516 1.00 0.00 N ATOM 0 H ARG A 71 16.704 0.369 -13.469 1.00 0.00 H new ATOM 0 HA ARG A 71 19.535 0.203 -13.974 1.00 0.00 H new ATOM 0 HB2 ARG A 71 17.487 2.449 -14.114 1.00 0.00 H new ATOM 0 HB3 ARG A 71 19.169 2.648 -14.566 1.00 0.00 H new ATOM 0 HG2 ARG A 71 18.639 0.525 -16.110 1.00 0.00 H new ATOM 0 HG3 ARG A 71 16.996 1.114 -15.954 1.00 0.00 H new ATOM 0 HD2 ARG A 71 17.536 3.227 -16.931 1.00 0.00 H new ATOM 0 HD3 ARG A 71 19.258 2.981 -16.721 1.00 0.00 H new ATOM 0 HE ARG A 71 17.997 0.980 -18.455 1.00 0.00 H new ATOM 0 HH11 ARG A 71 19.499 4.169 -18.250 1.00 0.00 H new ATOM 0 HH12 ARG A 71 19.966 4.186 -19.954 1.00 0.00 H new ATOM 0 HH21 ARG A 71 18.601 1.010 -20.644 1.00 0.00 H new ATOM 0 HH22 ARG A 71 19.460 2.405 -21.304 1.00 0.00 H new ATOM 1106 N LEU A 72 18.437 2.155 -11.527 1.00 0.00 N ATOM 1107 CA LEU A 72 18.830 2.797 -10.278 1.00 0.00 C ATOM 1108 C LEU A 72 19.083 1.760 -9.188 1.00 0.00 C ATOM 1109 O LEU A 72 18.433 0.716 -9.148 1.00 0.00 O ATOM 1110 CB LEU A 72 17.748 3.778 -9.823 1.00 0.00 C ATOM 1111 CG LEU A 72 17.894 5.217 -10.320 1.00 0.00 C ATOM 1112 CD1 LEU A 72 16.536 5.897 -10.392 1.00 0.00 C ATOM 1113 CD2 LEU A 72 18.837 5.998 -9.417 1.00 0.00 C ATOM 0 H LEU A 72 17.465 2.312 -11.794 1.00 0.00 H new ATOM 0 HA LEU A 72 19.756 3.344 -10.455 1.00 0.00 H new ATOM 0 HB2 LEU A 72 16.780 3.398 -10.151 1.00 0.00 H new ATOM 0 HB3 LEU A 72 17.733 3.791 -8.733 1.00 0.00 H new ATOM 0 HG LEU A 72 18.319 5.194 -11.324 1.00 0.00 H new ATOM 0 HD11 LEU A 72 16.660 6.920 -10.748 1.00 0.00 H new ATOM 0 HD12 LEU A 72 15.891 5.349 -11.079 1.00 0.00 H new ATOM 0 HD13 LEU A 72 16.082 5.910 -9.401 1.00 0.00 H new ATOM 0 HD21 LEU A 72 18.930 7.020 -9.785 1.00 0.00 H new ATOM 0 HD22 LEU A 72 18.440 6.012 -8.402 1.00 0.00 H new ATOM 0 HD23 LEU A 72 19.818 5.522 -9.417 1.00 0.00 H new ATOM 1125 N SER A 73 20.031 2.057 -8.305 1.00 0.00 N ATOM 1126 CA SER A 73 20.371 1.150 -7.215 1.00 0.00 C ATOM 1127 C SER A 73 19.643 1.544 -5.933 1.00 0.00 C ATOM 1128 O SER A 73 20.256 1.673 -4.872 1.00 0.00 O ATOM 1129 CB SER A 73 21.882 1.148 -6.977 1.00 0.00 C ATOM 1130 OG SER A 73 22.566 0.518 -8.046 1.00 0.00 O ATOM 0 H SER A 73 20.577 2.918 -8.323 1.00 0.00 H new ATOM 0 HA SER A 73 20.054 0.146 -7.498 1.00 0.00 H new ATOM 0 HB2 SER A 73 22.237 2.173 -6.867 1.00 0.00 H new ATOM 0 HB3 SER A 73 22.106 0.632 -6.044 1.00 0.00 H new ATOM 0 HG SER A 73 23.530 0.531 -7.871 1.00 0.00 H new ATOM 1136 N LEU A 74 18.333 1.733 -6.039 1.00 0.00 N ATOM 1137 CA LEU A 74 17.519 2.113 -4.889 1.00 0.00 C ATOM 1138 C LEU A 74 16.134 1.480 -4.969 1.00 0.00 C ATOM 1139 O LEU A 74 15.824 0.758 -5.916 1.00 0.00 O ATOM 1140 CB LEU A 74 17.394 3.635 -4.808 1.00 0.00 C ATOM 1141 CG LEU A 74 18.705 4.420 -4.851 1.00 0.00 C ATOM 1142 CD1 LEU A 74 18.487 5.790 -5.474 1.00 0.00 C ATOM 1143 CD2 LEU A 74 19.292 4.555 -3.454 1.00 0.00 C ATOM 0 H LEU A 74 17.811 1.630 -6.909 1.00 0.00 H new ATOM 0 HA LEU A 74 18.013 1.748 -3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 74 16.765 3.972 -5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 74 16.873 3.888 -3.885 1.00 0.00 H new ATOM 0 HG LEU A 74 19.414 3.871 -5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 74 19.431 6.334 -5.496 1.00 0.00 H new ATOM 0 HD12 LEU A 74 18.112 5.672 -6.491 1.00 0.00 H new ATOM 0 HD13 LEU A 74 17.761 6.347 -4.882 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.225 5.117 -3.504 1.00 0.00 H new ATOM 0 HD22 LEU A 74 18.586 5.081 -2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 74 19.487 3.564 -3.044 1.00 0.00 H new ATOM 1155 N ASN A 75 15.303 1.758 -3.970 1.00 0.00 N ATOM 1156 CA ASN A 75 13.949 1.218 -3.928 1.00 0.00 C ATOM 1157 C ASN A 75 12.914 2.332 -4.049 1.00 0.00 C ATOM 1158 O ASN A 75 12.620 3.029 -3.079 1.00 0.00 O ATOM 1159 CB ASN A 75 13.727 0.440 -2.630 1.00 0.00 C ATOM 1160 CG ASN A 75 14.393 1.102 -1.438 1.00 0.00 C ATOM 1161 OD1 ASN A 75 14.757 2.277 -1.490 1.00 0.00 O ATOM 1162 ND2 ASN A 75 14.555 0.349 -0.357 1.00 0.00 N ATOM 0 H ASN A 75 15.544 2.354 -3.178 1.00 0.00 H new ATOM 0 HA ASN A 75 13.829 0.542 -4.774 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.657 0.350 -2.442 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.116 -0.572 -2.745 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.997 0.740 0.475 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.238 -0.620 -0.359 1.00 0.00 H new ATOM 1169 N GLY A 76 12.365 2.495 -5.249 1.00 0.00 N ATOM 1170 CA GLY A 76 11.368 3.526 -5.476 1.00 0.00 C ATOM 1171 C GLY A 76 10.020 3.169 -4.883 1.00 0.00 C ATOM 1172 O GLY A 76 9.865 2.117 -4.262 1.00 0.00 O ATOM 0 H GLY A 76 12.593 1.932 -6.068 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.715 4.464 -5.043 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.258 3.691 -6.548 1.00 0.00 H new ATOM 1176 N VAL A 77 9.040 4.047 -5.073 1.00 0.00 N ATOM 1177 CA VAL A 77 7.698 3.819 -4.552 1.00 0.00 C ATOM 1178 C VAL A 77 6.656 3.904 -5.662 1.00 0.00 C ATOM 1179 O VAL A 77 6.648 4.851 -6.449 1.00 0.00 O ATOM 1180 CB VAL A 77 7.342 4.837 -3.451 1.00 0.00 C ATOM 1181 CG1 VAL A 77 5.863 4.758 -3.108 1.00 0.00 C ATOM 1182 CG2 VAL A 77 8.198 4.604 -2.216 1.00 0.00 C ATOM 0 H VAL A 77 9.151 4.923 -5.584 1.00 0.00 H new ATOM 0 HA VAL A 77 7.691 2.816 -4.126 1.00 0.00 H new ATOM 0 HB VAL A 77 7.549 5.839 -3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.631 5.484 -2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.271 4.978 -3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.625 3.756 -2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.934 5.331 -1.448 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.024 3.597 -1.837 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.250 4.717 -2.476 1.00 0.00 H new ATOM 1192 N ARG A 78 5.778 2.908 -5.719 1.00 0.00 N ATOM 1193 CA ARG A 78 4.731 2.869 -6.733 1.00 0.00 C ATOM 1194 C ARG A 78 3.497 3.639 -6.271 1.00 0.00 C ATOM 1195 O ARG A 78 3.070 3.516 -5.123 1.00 0.00 O ATOM 1196 CB ARG A 78 4.353 1.422 -7.051 1.00 0.00 C ATOM 1197 CG ARG A 78 3.105 1.292 -7.909 1.00 0.00 C ATOM 1198 CD ARG A 78 3.378 1.683 -9.353 1.00 0.00 C ATOM 1199 NE ARG A 78 2.194 2.239 -10.002 1.00 0.00 N ATOM 1200 CZ ARG A 78 2.198 2.742 -11.232 1.00 0.00 C ATOM 1201 NH1 ARG A 78 3.318 2.758 -11.941 1.00 0.00 N ATOM 1202 NH2 ARG A 78 1.080 3.229 -11.755 1.00 0.00 N ATOM 0 H ARG A 78 5.771 2.117 -5.075 1.00 0.00 H new ATOM 0 HA ARG A 78 5.117 3.343 -7.636 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.187 0.942 -7.563 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.199 0.882 -6.117 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.742 0.265 -7.872 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.315 1.924 -7.503 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.186 2.414 -9.384 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.718 0.808 -9.907 1.00 0.00 H new ATOM 0 HE ARG A 78 1.316 2.241 -9.483 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.179 2.384 -11.543 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.319 3.145 -12.885 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.216 3.218 -11.213 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.084 3.615 -12.699 1.00 0.00 H new ATOM 1216 N PHE A 79 2.929 4.433 -7.173 1.00 0.00 N ATOM 1217 CA PHE A 79 1.746 5.224 -6.858 1.00 0.00 C ATOM 1218 C PHE A 79 0.657 5.015 -7.906 1.00 0.00 C ATOM 1219 O PHE A 79 0.773 5.480 -9.040 1.00 0.00 O ATOM 1220 CB PHE A 79 2.107 6.708 -6.770 1.00 0.00 C ATOM 1221 CG PHE A 79 2.850 7.071 -5.516 1.00 0.00 C ATOM 1222 CD1 PHE A 79 4.215 6.854 -5.418 1.00 0.00 C ATOM 1223 CD2 PHE A 79 2.185 7.629 -4.437 1.00 0.00 C ATOM 1224 CE1 PHE A 79 4.902 7.186 -4.265 1.00 0.00 C ATOM 1225 CE2 PHE A 79 2.866 7.964 -3.282 1.00 0.00 C ATOM 1226 CZ PHE A 79 4.227 7.743 -3.196 1.00 0.00 C ATOM 0 H PHE A 79 3.269 4.545 -8.128 1.00 0.00 H new ATOM 0 HA PHE A 79 1.365 4.892 -5.892 1.00 0.00 H new ATOM 0 HB2 PHE A 79 2.715 6.978 -7.634 1.00 0.00 H new ATOM 0 HB3 PHE A 79 1.193 7.300 -6.826 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.748 6.421 -6.251 1.00 0.00 H new ATOM 0 HD2 PHE A 79 1.121 7.805 -4.499 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.966 7.010 -4.200 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.335 8.398 -2.448 1.00 0.00 H new ATOM 0 HZ PHE A 79 4.762 8.005 -2.295 1.00 0.00 H new ATOM 1236 N LYS A 80 -0.401 4.311 -7.519 1.00 0.00 N ATOM 1237 CA LYS A 80 -1.513 4.039 -8.424 1.00 0.00 C ATOM 1238 C LYS A 80 -2.678 4.985 -8.153 1.00 0.00 C ATOM 1239 O LYS A 80 -3.398 4.831 -7.166 1.00 0.00 O ATOM 1240 CB LYS A 80 -1.975 2.588 -8.275 1.00 0.00 C ATOM 1241 CG LYS A 80 -2.789 2.085 -9.455 1.00 0.00 C ATOM 1242 CD LYS A 80 -3.114 0.607 -9.318 1.00 0.00 C ATOM 1243 CE LYS A 80 -4.208 0.186 -10.287 1.00 0.00 C ATOM 1244 NZ LYS A 80 -3.754 0.258 -11.703 1.00 0.00 N ATOM 0 H LYS A 80 -0.513 3.918 -6.584 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.167 4.200 -9.445 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.101 1.949 -8.148 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.572 2.497 -7.367 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.714 2.657 -9.530 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.235 2.253 -10.379 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.216 0.017 -9.502 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.430 0.396 -8.296 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.523 -0.832 -10.058 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.079 0.827 -10.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.529 -0.037 -12.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.477 1.235 -11.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.939 -0.373 -11.839 1.00 0.00 H new ATOM 1258 N ARG A 81 -2.859 5.962 -9.035 1.00 0.00 N ATOM 1259 CA ARG A 81 -3.937 6.933 -8.891 1.00 0.00 C ATOM 1260 C ARG A 81 -5.298 6.248 -8.971 1.00 0.00 C ATOM 1261 O ARG A 81 -5.805 5.979 -10.061 1.00 0.00 O ATOM 1262 CB ARG A 81 -3.831 8.009 -9.972 1.00 0.00 C ATOM 1263 CG ARG A 81 -4.535 9.307 -9.611 1.00 0.00 C ATOM 1264 CD ARG A 81 -4.463 10.315 -10.747 1.00 0.00 C ATOM 1265 NE ARG A 81 -3.092 10.530 -11.203 1.00 0.00 N ATOM 1266 CZ ARG A 81 -2.779 11.221 -12.293 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -3.735 11.762 -13.036 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -1.508 11.372 -12.643 1.00 0.00 N ATOM 0 H ARG A 81 -2.273 6.102 -9.858 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.842 7.402 -7.912 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.778 8.218 -10.163 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.253 7.623 -10.900 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.578 9.102 -9.371 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.080 9.732 -8.716 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.072 9.965 -11.581 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.888 11.263 -10.418 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.333 10.127 -10.654 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.713 11.648 -12.771 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.492 12.292 -13.873 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -0.770 10.957 -12.075 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.269 11.903 -13.481 1.00 0.00 H new ATOM 1282 N ILE A 82 -5.884 5.970 -7.812 1.00 0.00 N ATOM 1283 CA ILE A 82 -7.186 5.318 -7.751 1.00 0.00 C ATOM 1284 C ILE A 82 -8.300 6.273 -8.168 1.00 0.00 C ATOM 1285 O ILE A 82 -9.094 5.968 -9.057 1.00 0.00 O ATOM 1286 CB ILE A 82 -7.484 4.786 -6.337 1.00 0.00 C ATOM 1287 CG1 ILE A 82 -6.742 3.469 -6.097 1.00 0.00 C ATOM 1288 CG2 ILE A 82 -8.982 4.598 -6.147 1.00 0.00 C ATOM 1289 CD1 ILE A 82 -7.070 2.397 -7.112 1.00 0.00 C ATOM 0 H ILE A 82 -5.478 6.186 -6.902 1.00 0.00 H new ATOM 0 HA ILE A 82 -7.151 4.479 -8.446 1.00 0.00 H new ATOM 0 HB ILE A 82 -7.134 5.517 -5.608 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.669 3.658 -6.114 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.985 3.101 -5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -9.177 4.221 -5.143 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -9.489 5.554 -6.281 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -9.355 3.884 -6.881 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -6.508 1.492 -6.880 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -8.138 2.180 -7.080 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -6.801 2.745 -8.109 1.00 0.00 H new ATOM 1301 N SER A 83 -8.350 7.433 -7.520 1.00 0.00 N ATOM 1302 CA SER A 83 -9.367 8.433 -7.821 1.00 0.00 C ATOM 1303 C SER A 83 -9.446 8.692 -9.323 1.00 0.00 C ATOM 1304 O SER A 83 -8.716 8.088 -10.107 1.00 0.00 O ATOM 1305 CB SER A 83 -9.064 9.738 -7.082 1.00 0.00 C ATOM 1306 OG SER A 83 -9.846 10.805 -7.589 1.00 0.00 O ATOM 0 H SER A 83 -7.698 7.703 -6.783 1.00 0.00 H new ATOM 0 HA SER A 83 -10.330 8.049 -7.485 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.263 9.611 -6.018 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.006 9.979 -7.182 1.00 0.00 H new ATOM 0 HG SER A 83 -9.885 11.526 -6.926 1.00 0.00 H new ATOM 1312 N GLY A 84 -10.339 9.596 -9.715 1.00 0.00 N ATOM 1313 CA GLY A 84 -10.498 9.920 -11.120 1.00 0.00 C ATOM 1314 C GLY A 84 -10.031 11.324 -11.448 1.00 0.00 C ATOM 1315 O GLY A 84 -9.915 11.691 -12.618 1.00 0.00 O ATOM 0 H GLY A 84 -10.955 10.109 -9.084 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.937 9.204 -11.720 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.547 9.815 -11.397 1.00 0.00 H new ATOM 1319 N THR A 85 -9.764 12.115 -10.413 1.00 0.00 N ATOM 1320 CA THR A 85 -9.310 13.487 -10.596 1.00 0.00 C ATOM 1321 C THR A 85 -7.828 13.625 -10.266 1.00 0.00 C ATOM 1322 O THR A 85 -7.222 12.716 -9.699 1.00 0.00 O ATOM 1323 CB THR A 85 -10.113 14.466 -9.720 1.00 0.00 C ATOM 1324 OG1 THR A 85 -10.061 15.783 -10.281 1.00 0.00 O ATOM 1325 CG2 THR A 85 -9.567 14.493 -8.300 1.00 0.00 C ATOM 0 H THR A 85 -9.855 11.828 -9.439 1.00 0.00 H new ATOM 0 HA THR A 85 -9.470 13.735 -11.645 1.00 0.00 H new ATOM 0 HB THR A 85 -11.148 14.126 -9.689 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.576 16.399 -9.719 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.150 15.191 -7.699 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.635 13.496 -7.865 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.525 14.811 -8.317 1.00 0.00 H new ATOM 1333 N SER A 86 -7.250 14.767 -10.625 1.00 0.00 N ATOM 1334 CA SER A 86 -5.838 15.022 -10.369 1.00 0.00 C ATOM 1335 C SER A 86 -5.660 15.917 -9.145 1.00 0.00 C ATOM 1336 O SER A 86 -5.006 15.536 -8.174 1.00 0.00 O ATOM 1337 CB SER A 86 -5.186 15.674 -11.590 1.00 0.00 C ATOM 1338 OG SER A 86 -6.030 16.665 -12.150 1.00 0.00 O ATOM 0 H SER A 86 -7.738 15.530 -11.094 1.00 0.00 H new ATOM 0 HA SER A 86 -5.352 14.066 -10.173 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.235 16.122 -11.303 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.967 14.913 -12.339 1.00 0.00 H new ATOM 0 HG SER A 86 -5.590 17.068 -12.928 1.00 0.00 H new ATOM 1344 N ILE A 87 -6.247 17.107 -9.201 1.00 0.00 N ATOM 1345 CA ILE A 87 -6.155 18.056 -8.098 1.00 0.00 C ATOM 1346 C ILE A 87 -6.235 17.343 -6.752 1.00 0.00 C ATOM 1347 O ILE A 87 -5.444 17.612 -5.848 1.00 0.00 O ATOM 1348 CB ILE A 87 -7.271 19.115 -8.172 1.00 0.00 C ATOM 1349 CG1 ILE A 87 -7.023 20.067 -9.344 1.00 0.00 C ATOM 1350 CG2 ILE A 87 -7.354 19.888 -6.864 1.00 0.00 C ATOM 1351 CD1 ILE A 87 -7.591 19.570 -10.655 1.00 0.00 C ATOM 0 H ILE A 87 -6.791 17.437 -9.998 1.00 0.00 H new ATOM 0 HA ILE A 87 -5.188 18.552 -8.188 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.223 18.609 -8.334 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.461 21.038 -9.112 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.950 20.220 -9.457 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.147 20.633 -6.931 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.571 19.199 -6.048 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -6.403 20.386 -6.675 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.378 20.294 -11.441 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -7.135 18.613 -10.910 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -8.669 19.444 -10.560 1.00 0.00 H new ATOM 1363 N ALA A 88 -7.194 16.432 -6.627 1.00 0.00 N ATOM 1364 CA ALA A 88 -7.375 15.677 -5.393 1.00 0.00 C ATOM 1365 C ALA A 88 -6.176 14.774 -5.122 1.00 0.00 C ATOM 1366 O ALA A 88 -5.698 14.684 -3.991 1.00 0.00 O ATOM 1367 CB ALA A 88 -8.653 14.855 -5.460 1.00 0.00 C ATOM 0 H ALA A 88 -7.858 16.199 -7.365 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.456 16.387 -4.570 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.775 14.296 -4.532 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -9.506 15.519 -5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.595 14.159 -6.297 1.00 0.00 H new ATOM 1373 N PHE A 89 -5.696 14.106 -6.165 1.00 0.00 N ATOM 1374 CA PHE A 89 -4.555 13.208 -6.039 1.00 0.00 C ATOM 1375 C PHE A 89 -3.310 13.969 -5.591 1.00 0.00 C ATOM 1376 O PHE A 89 -2.867 13.842 -4.449 1.00 0.00 O ATOM 1377 CB PHE A 89 -4.283 12.502 -7.369 1.00 0.00 C ATOM 1378 CG PHE A 89 -3.214 11.451 -7.283 1.00 0.00 C ATOM 1379 CD1 PHE A 89 -3.271 10.463 -6.313 1.00 0.00 C ATOM 1380 CD2 PHE A 89 -2.151 11.451 -8.172 1.00 0.00 C ATOM 1381 CE1 PHE A 89 -2.289 9.494 -6.232 1.00 0.00 C ATOM 1382 CE2 PHE A 89 -1.167 10.484 -8.096 1.00 0.00 C ATOM 1383 CZ PHE A 89 -1.235 9.506 -7.124 1.00 0.00 C ATOM 0 H PHE A 89 -6.080 14.170 -7.108 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.796 12.461 -5.282 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.206 12.042 -7.722 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.992 13.244 -8.112 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.093 10.450 -5.612 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.091 12.215 -8.933 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.346 8.729 -5.472 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.345 10.493 -8.797 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.465 8.751 -7.061 1.00 0.00 H new ATOM 1393 N LYS A 90 -2.751 14.762 -6.499 1.00 0.00 N ATOM 1394 CA LYS A 90 -1.558 15.546 -6.200 1.00 0.00 C ATOM 1395 C LYS A 90 -1.663 16.192 -4.822 1.00 0.00 C ATOM 1396 O LYS A 90 -0.653 16.486 -4.186 1.00 0.00 O ATOM 1397 CB LYS A 90 -1.351 16.624 -7.266 1.00 0.00 C ATOM 1398 CG LYS A 90 0.107 16.989 -7.486 1.00 0.00 C ATOM 1399 CD LYS A 90 0.537 18.135 -6.585 1.00 0.00 C ATOM 1400 CE LYS A 90 0.031 19.472 -7.105 1.00 0.00 C ATOM 1401 NZ LYS A 90 0.877 19.991 -8.216 1.00 0.00 N ATOM 0 H LYS A 90 -3.105 14.879 -7.448 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.701 14.873 -6.202 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.777 16.278 -8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.902 17.519 -6.977 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.734 16.118 -7.293 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.260 17.268 -8.529 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.158 17.968 -5.577 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.625 18.158 -6.517 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.996 19.361 -7.452 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.016 20.196 -6.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.500 20.903 -8.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.852 20.121 -7.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.871 19.312 -9.004 1.00 0.00 H new ATOM 1415 N ASN A 91 -2.893 16.409 -4.367 1.00 0.00 N ATOM 1416 CA ASN A 91 -3.130 17.020 -3.064 1.00 0.00 C ATOM 1417 C ASN A 91 -2.428 16.235 -1.960 1.00 0.00 C ATOM 1418 O ASN A 91 -1.479 16.723 -1.345 1.00 0.00 O ATOM 1419 CB ASN A 91 -4.631 17.094 -2.778 1.00 0.00 C ATOM 1420 CG ASN A 91 -4.994 18.275 -1.898 1.00 0.00 C ATOM 1421 OD1 ASN A 91 -4.671 18.301 -0.710 1.00 0.00 O ATOM 1422 ND2 ASN A 91 -5.669 19.260 -2.479 1.00 0.00 N ATOM 0 H ASN A 91 -3.741 16.171 -4.881 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.721 18.030 -3.084 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.175 17.166 -3.720 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -4.952 16.172 -2.294 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -5.941 20.081 -1.938 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -5.916 19.196 -3.467 1.00 0.00 H new ATOM 1429 N ILE A 92 -2.900 15.018 -1.715 1.00 0.00 N ATOM 1430 CA ILE A 92 -2.317 14.165 -0.687 1.00 0.00 C ATOM 1431 C ILE A 92 -1.069 13.457 -1.203 1.00 0.00 C ATOM 1432 O ILE A 92 -0.132 13.201 -0.448 1.00 0.00 O ATOM 1433 CB ILE A 92 -3.324 13.110 -0.192 1.00 0.00 C ATOM 1434 CG1 ILE A 92 -2.696 12.247 0.903 1.00 0.00 C ATOM 1435 CG2 ILE A 92 -3.797 12.245 -1.351 1.00 0.00 C ATOM 1436 CD1 ILE A 92 -2.388 13.011 2.172 1.00 0.00 C ATOM 0 H ILE A 92 -3.685 14.600 -2.215 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.046 14.815 0.145 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.188 13.624 0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.372 11.425 1.138 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.775 11.804 0.522 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -4.508 11.504 -0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.280 12.873 -2.100 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.942 11.738 -1.799 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.945 12.336 2.904 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.688 13.817 1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.309 13.431 2.576 1.00 0.00 H new ATOM 1448 N ALA A 93 -1.064 13.145 -2.495 1.00 0.00 N ATOM 1449 CA ALA A 93 0.071 12.470 -3.113 1.00 0.00 C ATOM 1450 C ALA A 93 1.362 13.250 -2.888 1.00 0.00 C ATOM 1451 O ALA A 93 2.444 12.668 -2.806 1.00 0.00 O ATOM 1452 CB ALA A 93 -0.178 12.275 -4.601 1.00 0.00 C ATOM 0 H ALA A 93 -1.833 13.349 -3.134 1.00 0.00 H new ATOM 0 HA ALA A 93 0.181 11.493 -2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.677 11.770 -5.050 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.073 11.669 -4.744 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.317 13.246 -5.077 1.00 0.00 H new ATOM 1458 N SER A 94 1.241 14.570 -2.791 1.00 0.00 N ATOM 1459 CA SER A 94 2.400 15.430 -2.580 1.00 0.00 C ATOM 1460 C SER A 94 2.789 15.467 -1.105 1.00 0.00 C ATOM 1461 O SER A 94 3.911 15.835 -0.756 1.00 0.00 O ATOM 1462 CB SER A 94 2.107 16.847 -3.077 1.00 0.00 C ATOM 1463 OG SER A 94 3.291 17.624 -3.130 1.00 0.00 O ATOM 0 H SER A 94 0.353 15.067 -2.855 1.00 0.00 H new ATOM 0 HA SER A 94 3.235 15.018 -3.147 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.653 16.802 -4.067 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.384 17.325 -2.416 1.00 0.00 H new ATOM 0 HG SER A 94 3.891 17.355 -2.403 1.00 0.00 H new ATOM 1469 N LYS A 95 1.854 15.081 -0.244 1.00 0.00 N ATOM 1470 CA LYS A 95 2.096 15.068 1.194 1.00 0.00 C ATOM 1471 C LYS A 95 2.941 13.862 1.592 1.00 0.00 C ATOM 1472 O LYS A 95 3.704 13.918 2.556 1.00 0.00 O ATOM 1473 CB LYS A 95 0.769 15.047 1.956 1.00 0.00 C ATOM 1474 CG LYS A 95 -0.089 16.277 1.714 1.00 0.00 C ATOM 1475 CD LYS A 95 0.337 17.437 2.598 1.00 0.00 C ATOM 1476 CE LYS A 95 -0.447 18.700 2.276 1.00 0.00 C ATOM 1477 NZ LYS A 95 -1.849 18.624 2.770 1.00 0.00 N ATOM 0 H LYS A 95 0.921 14.773 -0.517 1.00 0.00 H new ATOM 0 HA LYS A 95 2.642 15.975 1.453 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.207 14.159 1.666 1.00 0.00 H new ATOM 0 HB3 LYS A 95 0.973 14.961 3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.018 16.571 0.667 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.134 16.036 1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.188 17.172 3.645 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.402 17.625 2.465 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.050 19.560 2.725 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.450 18.860 1.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -2.350 19.504 2.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.331 17.819 2.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.847 18.497 3.802 1.00 0.00 H new ATOM 1491 N ILE A 96 2.801 12.774 0.842 1.00 0.00 N ATOM 1492 CA ILE A 96 3.554 11.556 1.116 1.00 0.00 C ATOM 1493 C ILE A 96 5.000 11.687 0.650 1.00 0.00 C ATOM 1494 O ILE A 96 5.926 11.682 1.460 1.00 0.00 O ATOM 1495 CB ILE A 96 2.915 10.333 0.432 1.00 0.00 C ATOM 1496 CG1 ILE A 96 1.467 10.160 0.895 1.00 0.00 C ATOM 1497 CG2 ILE A 96 3.724 9.079 0.725 1.00 0.00 C ATOM 1498 CD1 ILE A 96 1.243 10.555 2.338 1.00 0.00 C ATOM 0 H ILE A 96 2.173 12.711 0.040 1.00 0.00 H new ATOM 0 HA ILE A 96 3.535 11.409 2.196 1.00 0.00 H new ATOM 0 HB ILE A 96 2.914 10.498 -0.645 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.816 10.759 0.258 1.00 0.00 H new ATOM 0 HG13 ILE A 96 1.173 9.119 0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 96 3.259 8.223 0.235 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.739 9.205 0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 96 3.754 8.908 1.801 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.195 10.406 2.597 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.868 9.939 2.985 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.505 11.604 2.473 1.00 0.00 H new ATOM 1510 N ALA A 97 5.185 11.807 -0.660 1.00 0.00 N ATOM 1511 CA ALA A 97 6.518 11.944 -1.234 1.00 0.00 C ATOM 1512 C ALA A 97 7.397 12.844 -0.373 1.00 0.00 C ATOM 1513 O ALA A 97 8.483 12.449 0.048 1.00 0.00 O ATOM 1514 CB ALA A 97 6.429 12.489 -2.651 1.00 0.00 C ATOM 0 H ALA A 97 4.429 11.812 -1.344 1.00 0.00 H new ATOM 0 HA ALA A 97 6.976 10.956 -1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.432 12.586 -3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.845 11.806 -3.268 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.946 13.466 -2.635 1.00 0.00 H new ATOM 1520 N ASN A 98 6.919 14.057 -0.114 1.00 0.00 N ATOM 1521 CA ASN A 98 7.662 15.015 0.697 1.00 0.00 C ATOM 1522 C ASN A 98 7.984 14.431 2.069 1.00 0.00 C ATOM 1523 O ASN A 98 9.128 14.075 2.350 1.00 0.00 O ATOM 1524 CB ASN A 98 6.863 16.310 0.855 1.00 0.00 C ATOM 1525 CG ASN A 98 7.570 17.322 1.736 1.00 0.00 C ATOM 1526 OD1 ASN A 98 8.651 17.805 1.401 1.00 0.00 O ATOM 1527 ND2 ASN A 98 6.960 17.647 2.870 1.00 0.00 N ATOM 0 H ASN A 98 6.020 14.400 -0.454 1.00 0.00 H new ATOM 0 HA ASN A 98 8.600 15.236 0.187 1.00 0.00 H new ATOM 0 HB2 ASN A 98 6.688 16.748 -0.128 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.886 16.081 1.281 1.00 0.00 H new ATOM 0 HD21 ASN A 98 7.387 18.322 3.504 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.064 17.221 3.107 1.00 0.00 H new ATOM 1534 N GLU A 99 6.967 14.337 2.920 1.00 0.00 N ATOM 1535 CA GLU A 99 7.142 13.797 4.263 1.00 0.00 C ATOM 1536 C GLU A 99 8.157 12.657 4.263 1.00 0.00 C ATOM 1537 O GLU A 99 9.140 12.686 5.004 1.00 0.00 O ATOM 1538 CB GLU A 99 5.804 13.303 4.817 1.00 0.00 C ATOM 1539 CG GLU A 99 4.878 14.424 5.260 1.00 0.00 C ATOM 1540 CD GLU A 99 5.263 14.998 6.610 1.00 0.00 C ATOM 1541 OE1 GLU A 99 4.789 14.466 7.637 1.00 0.00 O ATOM 1542 OE2 GLU A 99 6.036 15.978 6.641 1.00 0.00 O ATOM 0 H GLU A 99 6.014 14.628 2.703 1.00 0.00 H new ATOM 0 HA GLU A 99 7.518 14.596 4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 99 5.302 12.708 4.054 1.00 0.00 H new ATOM 0 HB3 GLU A 99 5.992 12.643 5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 99 4.892 15.218 4.514 1.00 0.00 H new ATOM 0 HG3 GLU A 99 3.856 14.049 5.307 1.00 0.00 H new ATOM 1549 N LEU A 100 7.911 11.654 3.427 1.00 0.00 N ATOM 1550 CA LEU A 100 8.802 10.503 3.329 1.00 0.00 C ATOM 1551 C LEU A 100 10.257 10.924 3.509 1.00 0.00 C ATOM 1552 O LEU A 100 10.868 11.487 2.600 1.00 0.00 O ATOM 1553 CB LEU A 100 8.623 9.808 1.979 1.00 0.00 C ATOM 1554 CG LEU A 100 7.531 8.739 1.914 1.00 0.00 C ATOM 1555 CD1 LEU A 100 7.369 8.228 0.490 1.00 0.00 C ATOM 1556 CD2 LEU A 100 7.851 7.592 2.861 1.00 0.00 C ATOM 0 H LEU A 100 7.102 11.615 2.807 1.00 0.00 H new ATOM 0 HA LEU A 100 8.544 9.806 4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.405 10.567 1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.571 9.348 1.701 1.00 0.00 H new ATOM 0 HG LEU A 100 6.589 9.189 2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.588 7.468 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.094 9.055 -0.164 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.309 7.794 0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.064 6.841 2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.803 7.143 2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.916 7.970 3.881 1.00 0.00 H new ATOM 1568 N LYS A 101 10.807 10.647 4.686 1.00 0.00 N ATOM 1569 CA LYS A 101 12.191 10.993 4.985 1.00 0.00 C ATOM 1570 C LYS A 101 13.143 9.915 4.477 1.00 0.00 C ATOM 1571 O LYS A 101 13.813 9.243 5.263 1.00 0.00 O ATOM 1572 CB LYS A 101 12.377 11.184 6.492 1.00 0.00 C ATOM 1573 CG LYS A 101 11.412 12.186 7.101 1.00 0.00 C ATOM 1574 CD LYS A 101 11.830 13.616 6.802 1.00 0.00 C ATOM 1575 CE LYS A 101 12.924 14.087 7.748 1.00 0.00 C ATOM 1576 NZ LYS A 101 13.736 15.185 7.154 1.00 0.00 N ATOM 0 H LYS A 101 10.315 10.183 5.449 1.00 0.00 H new ATOM 0 HA LYS A 101 12.424 11.928 4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 101 12.252 10.223 6.990 1.00 0.00 H new ATOM 0 HB3 LYS A 101 13.398 11.512 6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.409 12.010 6.711 1.00 0.00 H new ATOM 0 HG3 LYS A 101 11.365 12.038 8.180 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.183 13.685 5.773 1.00 0.00 H new ATOM 0 HD3 LYS A 101 10.965 14.274 6.888 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.475 14.431 8.680 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.574 13.249 7.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.471 15.478 7.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.185 14.850 6.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.120 15.995 6.939 1.00 0.00 H new ATOM 1590 N LEU A 102 13.200 9.755 3.159 1.00 0.00 N ATOM 1591 CA LEU A 102 14.073 8.760 2.546 1.00 0.00 C ATOM 1592 C LEU A 102 15.194 9.429 1.759 1.00 0.00 C ATOM 1593 O LEU A 102 14.972 9.957 0.669 1.00 0.00 O ATOM 1594 CB LEU A 102 13.265 7.843 1.626 1.00 0.00 C ATOM 1595 CG LEU A 102 12.040 7.174 2.252 1.00 0.00 C ATOM 1596 CD1 LEU A 102 11.059 6.741 1.173 1.00 0.00 C ATOM 1597 CD2 LEU A 102 12.459 5.984 3.102 1.00 0.00 C ATOM 0 H LEU A 102 12.652 10.302 2.495 1.00 0.00 H new ATOM 0 HA LEU A 102 14.520 8.165 3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 102 12.936 8.424 0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.928 7.063 1.250 1.00 0.00 H new ATOM 0 HG LEU A 102 11.543 7.899 2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.194 6.267 1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.734 7.613 0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.545 6.032 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.575 5.520 3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.979 5.257 2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.123 6.321 3.898 1.00 0.00 H new TER 1609 LEU A 102