USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 53 LYS NZ :NH3+ 151:sc= 1.13 (180deg=0) USER MOD Set 1.2: A 68 CYS SG : rot -57:sc= 1.7 USER MOD Set 2.1: A 17 GLN : amide:sc= 0.538 K(o=1.1,f=-2.3) USER MOD Set 2.2: A 76 LYS NZ :NH3+ -123:sc= 0.605 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.0588 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HE2:sc= 0.748 K(o=0.75,f=-2.3!) USER MOD Single : A 7 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.21) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.00106 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -153:sc= -0.136 (180deg=-1.07) USER MOD Single : A 25 CYS SG : rot -24:sc= 0.526 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0387 X(o=-0.039,f=-0.039) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 54 ASN : amide:sc=-0.00071 K(o=-0.00071,f=-0.54) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 59:sc= 0.285 USER MOD Single : A 75 ASN : amide:sc= -0.0352 X(o=-0.035,f=-0.5) USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.740 4.175 -22.174 1.00 0.00 N ATOM 2 CA MET A 1 -12.425 4.923 -20.927 1.00 0.00 C ATOM 3 C MET A 1 -11.692 6.226 -21.247 1.00 0.00 C ATOM 4 O MET A 1 -11.079 6.358 -22.308 1.00 0.00 O ATOM 5 CB MET A 1 -11.590 4.088 -19.929 1.00 0.00 C ATOM 6 CG MET A 1 -12.314 2.837 -19.415 1.00 0.00 C ATOM 7 SD MET A 1 -13.933 3.152 -18.658 1.00 0.00 S ATOM 8 CE MET A 1 -14.455 1.445 -18.345 1.00 0.00 C ATOM 0 H1 MET A 1 -13.772 4.111 -22.289 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.330 4.673 -22.990 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.338 3.217 -22.115 1.00 0.00 H new ATOM 0 HA MET A 1 -13.380 5.148 -20.452 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.660 3.787 -20.410 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.321 4.716 -19.080 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.446 2.144 -20.246 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.677 2.340 -18.683 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.440 1.446 -17.877 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.501 0.900 -19.288 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.738 0.961 -17.681 1.00 0.00 H new ATOM 20 N HIS A 2 -11.730 7.186 -20.317 1.00 0.00 N ATOM 21 CA HIS A 2 -10.971 8.446 -20.359 1.00 0.00 C ATOM 22 C HIS A 2 -10.026 8.566 -19.148 1.00 0.00 C ATOM 23 O HIS A 2 -10.191 7.876 -18.137 1.00 0.00 O ATOM 24 CB HIS A 2 -11.951 9.632 -20.415 1.00 0.00 C ATOM 25 CG HIS A 2 -12.770 9.686 -21.681 1.00 0.00 C ATOM 26 ND1 HIS A 2 -12.343 10.169 -22.901 1.00 0.00 N ATOM 27 CD2 HIS A 2 -14.072 9.287 -21.824 1.00 0.00 C ATOM 28 CE1 HIS A 2 -13.366 10.058 -23.768 1.00 0.00 C ATOM 29 NE2 HIS A 2 -14.439 9.523 -23.157 1.00 0.00 N ATOM 0 H HIS A 2 -12.311 7.106 -19.482 1.00 0.00 H new ATOM 0 HA HIS A 2 -10.350 8.455 -21.255 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -12.624 9.575 -19.560 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -11.389 10.561 -20.317 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -14.701 8.868 -21.052 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -13.331 10.356 -24.806 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -15.345 9.327 -23.582 1.00 0.00 H new ATOM 37 N HIS A 3 -9.068 9.488 -19.238 1.00 0.00 N ATOM 38 CA HIS A 3 -8.167 9.891 -18.157 1.00 0.00 C ATOM 39 C HIS A 3 -8.217 11.414 -17.956 1.00 0.00 C ATOM 40 O HIS A 3 -8.584 12.164 -18.866 1.00 0.00 O ATOM 41 CB HIS A 3 -6.737 9.419 -18.478 1.00 0.00 C ATOM 42 CG HIS A 3 -6.572 7.918 -18.457 1.00 0.00 C ATOM 43 ND1 HIS A 3 -6.486 7.090 -19.556 1.00 0.00 N ATOM 44 CD2 HIS A 3 -6.458 7.137 -17.339 1.00 0.00 C ATOM 45 CE1 HIS A 3 -6.325 5.831 -19.111 1.00 0.00 C ATOM 46 NE2 HIS A 3 -6.301 5.811 -17.765 1.00 0.00 N ATOM 0 H HIS A 3 -8.890 9.997 -20.104 1.00 0.00 H new ATOM 0 HA HIS A 3 -8.487 9.424 -17.226 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -6.453 9.793 -19.462 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.048 9.861 -17.758 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -6.484 7.480 -16.315 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.229 4.961 -19.743 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -6.190 4.990 -17.170 1.00 0.00 H new ATOM 54 N HIS A 4 -7.814 11.877 -16.769 1.00 0.00 N ATOM 55 CA HIS A 4 -7.714 13.294 -16.411 1.00 0.00 C ATOM 56 C HIS A 4 -6.299 13.620 -15.914 1.00 0.00 C ATOM 57 O HIS A 4 -5.763 12.955 -15.021 1.00 0.00 O ATOM 58 CB HIS A 4 -8.814 13.670 -15.402 1.00 0.00 C ATOM 59 CG HIS A 4 -8.720 12.990 -14.056 1.00 0.00 C ATOM 60 ND1 HIS A 4 -8.089 13.494 -12.937 1.00 0.00 N ATOM 61 CD2 HIS A 4 -9.255 11.775 -13.720 1.00 0.00 C ATOM 62 CE1 HIS A 4 -8.227 12.595 -11.946 1.00 0.00 C ATOM 63 NE2 HIS A 4 -8.934 11.533 -12.376 1.00 0.00 N ATOM 0 H HIS A 4 -7.540 11.256 -16.007 1.00 0.00 H new ATOM 0 HA HIS A 4 -7.881 13.909 -17.296 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -8.788 14.749 -15.248 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -9.783 13.434 -15.842 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -9.820 11.123 -14.370 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -7.828 12.709 -10.949 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -9.188 10.710 -11.829 1.00 0.00 H new ATOM 71 N HIS A 5 -5.671 14.631 -16.516 1.00 0.00 N ATOM 72 CA HIS A 5 -4.391 15.170 -16.053 1.00 0.00 C ATOM 73 C HIS A 5 -4.557 15.967 -14.743 1.00 0.00 C ATOM 74 O HIS A 5 -5.668 16.337 -14.348 1.00 0.00 O ATOM 75 CB HIS A 5 -3.778 16.040 -17.163 1.00 0.00 C ATOM 76 CG HIS A 5 -3.538 15.298 -18.460 1.00 0.00 C ATOM 77 ND1 HIS A 5 -2.893 14.085 -18.601 1.00 0.00 N ATOM 78 CD2 HIS A 5 -3.919 15.711 -19.709 1.00 0.00 C ATOM 79 CE1 HIS A 5 -2.889 13.769 -19.907 1.00 0.00 C ATOM 80 NE2 HIS A 5 -3.504 14.731 -20.621 1.00 0.00 N ATOM 0 H HIS A 5 -6.038 15.102 -17.343 1.00 0.00 H new ATOM 0 HA HIS A 5 -3.716 14.343 -15.834 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -4.439 16.885 -17.356 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -2.832 16.450 -16.809 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -4.443 16.625 -19.948 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -2.455 12.872 -20.324 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -3.641 14.744 -21.632 1.00 0.00 H new ATOM 88 N HIS A 6 -3.438 16.268 -14.083 1.00 0.00 N ATOM 89 CA HIS A 6 -3.360 17.157 -12.920 1.00 0.00 C ATOM 90 C HIS A 6 -2.075 18.004 -12.956 1.00 0.00 C ATOM 91 O HIS A 6 -1.119 17.681 -13.670 1.00 0.00 O ATOM 92 CB HIS A 6 -3.462 16.326 -11.627 1.00 0.00 C ATOM 93 CG HIS A 6 -2.317 15.363 -11.405 1.00 0.00 C ATOM 94 ND1 HIS A 6 -1.140 15.642 -10.745 1.00 0.00 N ATOM 95 CD2 HIS A 6 -2.263 14.057 -11.811 1.00 0.00 C ATOM 96 CE1 HIS A 6 -0.390 14.527 -10.744 1.00 0.00 C ATOM 97 NE2 HIS A 6 -1.033 13.534 -11.385 1.00 0.00 N ATOM 0 H HIS A 6 -2.530 15.888 -14.351 1.00 0.00 H new ATOM 0 HA HIS A 6 -4.197 17.854 -12.947 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.517 17.006 -10.777 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.395 15.763 -11.646 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -0.883 16.538 -10.330 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -3.027 13.526 -12.359 1.00 0.00 H new ATOM 0 HE1 HIS A 6 0.588 14.440 -10.294 1.00 0.00 H new ATOM 105 N HIS A 7 -2.040 19.085 -12.174 1.00 0.00 N ATOM 106 CA HIS A 7 -0.846 19.917 -11.991 1.00 0.00 C ATOM 107 C HIS A 7 0.226 19.215 -11.134 1.00 0.00 C ATOM 108 O HIS A 7 -0.064 18.280 -10.380 1.00 0.00 O ATOM 109 CB HIS A 7 -1.265 21.270 -11.393 1.00 0.00 C ATOM 110 CG HIS A 7 -2.080 21.180 -10.122 1.00 0.00 C ATOM 111 ND1 HIS A 7 -3.440 21.377 -10.021 1.00 0.00 N ATOM 112 CD2 HIS A 7 -1.605 20.909 -8.865 1.00 0.00 C ATOM 113 CE1 HIS A 7 -3.784 21.226 -8.731 1.00 0.00 C ATOM 114 NE2 HIS A 7 -2.699 20.937 -7.989 1.00 0.00 N ATOM 0 H HIS A 7 -2.848 19.412 -11.644 1.00 0.00 H new ATOM 0 HA HIS A 7 -0.382 20.086 -12.963 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -0.368 21.855 -11.191 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -1.841 21.817 -12.139 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -0.577 20.711 -8.599 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -4.788 21.323 -8.345 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -2.677 20.770 -6.983 1.00 0.00 H new ATOM 122 N SER A 8 1.474 19.689 -11.219 1.00 0.00 N ATOM 123 CA SER A 8 2.623 19.174 -10.455 1.00 0.00 C ATOM 124 C SER A 8 2.596 19.652 -8.993 1.00 0.00 C ATOM 125 O SER A 8 3.314 20.574 -8.598 1.00 0.00 O ATOM 126 CB SER A 8 3.941 19.558 -11.143 1.00 0.00 C ATOM 127 OG SER A 8 4.049 18.935 -12.418 1.00 0.00 O ATOM 0 H SER A 8 1.723 20.462 -11.837 1.00 0.00 H new ATOM 0 HA SER A 8 2.551 18.087 -10.435 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.994 20.641 -11.257 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.783 19.262 -10.517 1.00 0.00 H new ATOM 0 HG SER A 8 4.895 19.195 -12.839 1.00 0.00 H new ATOM 133 N SER A 9 1.734 19.034 -8.184 1.00 0.00 N ATOM 134 CA SER A 9 1.616 19.244 -6.731 1.00 0.00 C ATOM 135 C SER A 9 2.846 18.748 -5.947 1.00 0.00 C ATOM 136 O SER A 9 3.645 17.944 -6.441 1.00 0.00 O ATOM 137 CB SER A 9 0.343 18.548 -6.222 1.00 0.00 C ATOM 138 OG SER A 9 0.335 17.174 -6.586 1.00 0.00 O ATOM 0 H SER A 9 1.069 18.344 -8.533 1.00 0.00 H new ATOM 0 HA SER A 9 1.557 20.319 -6.559 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.282 18.641 -5.138 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.536 19.043 -6.635 1.00 0.00 H new ATOM 0 HG SER A 9 -0.483 16.751 -6.250 1.00 0.00 H new ATOM 144 N GLY A 10 2.992 19.205 -4.696 1.00 0.00 N ATOM 145 CA GLY A 10 3.981 18.689 -3.736 1.00 0.00 C ATOM 146 C GLY A 10 3.428 17.523 -2.905 1.00 0.00 C ATOM 147 O GLY A 10 2.213 17.413 -2.707 1.00 0.00 O ATOM 0 H GLY A 10 2.417 19.956 -4.315 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.870 18.360 -4.274 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.292 19.493 -3.069 1.00 0.00 H new ATOM 151 N LEU A 11 4.312 16.646 -2.415 1.00 0.00 N ATOM 152 CA LEU A 11 3.939 15.401 -1.718 1.00 0.00 C ATOM 153 C LEU A 11 4.974 14.987 -0.642 1.00 0.00 C ATOM 154 O LEU A 11 5.351 13.819 -0.520 1.00 0.00 O ATOM 155 CB LEU A 11 3.632 14.313 -2.782 1.00 0.00 C ATOM 156 CG LEU A 11 2.287 13.600 -2.541 1.00 0.00 C ATOM 157 CD1 LEU A 11 1.973 12.662 -3.708 1.00 0.00 C ATOM 158 CD2 LEU A 11 2.265 12.781 -1.249 1.00 0.00 C ATOM 0 H LEU A 11 5.320 16.779 -2.490 1.00 0.00 H new ATOM 0 HA LEU A 11 3.031 15.557 -1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.622 14.772 -3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.434 13.575 -2.781 1.00 0.00 H new ATOM 0 HG LEU A 11 1.538 14.387 -2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.021 12.163 -3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.912 13.238 -4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.762 11.916 -3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.291 12.304 -1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.041 12.017 -1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.447 13.438 -0.399 1.00 0.00 H new ATOM 170 N VAL A 12 5.461 15.964 0.132 1.00 0.00 N ATOM 171 CA VAL A 12 6.515 15.813 1.158 1.00 0.00 C ATOM 172 C VAL A 12 6.118 16.499 2.484 1.00 0.00 C ATOM 173 O VAL A 12 6.411 17.682 2.682 1.00 0.00 O ATOM 174 CB VAL A 12 7.896 16.228 0.595 1.00 0.00 C ATOM 175 CG1 VAL A 12 7.959 17.620 -0.057 1.00 0.00 C ATOM 176 CG2 VAL A 12 9.013 16.119 1.638 1.00 0.00 C ATOM 0 H VAL A 12 5.121 16.923 0.062 1.00 0.00 H new ATOM 0 HA VAL A 12 6.616 14.759 1.416 1.00 0.00 H new ATOM 0 HB VAL A 12 8.053 15.501 -0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.971 17.808 -0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.263 17.661 -0.895 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.688 18.378 0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.960 16.422 1.190 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.787 16.769 2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.089 15.088 1.984 1.00 0.00 H new ATOM 186 N PRO A 13 5.412 15.800 3.399 1.00 0.00 N ATOM 187 CA PRO A 13 5.088 16.330 4.727 1.00 0.00 C ATOM 188 C PRO A 13 6.320 16.358 5.654 1.00 0.00 C ATOM 189 O PRO A 13 7.275 15.598 5.471 1.00 0.00 O ATOM 190 CB PRO A 13 3.995 15.401 5.270 1.00 0.00 C ATOM 191 CG PRO A 13 4.309 14.060 4.609 1.00 0.00 C ATOM 192 CD PRO A 13 4.862 14.458 3.240 1.00 0.00 C ATOM 0 HA PRO A 13 4.753 17.366 4.673 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.031 15.331 6.357 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.999 15.756 5.006 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.037 13.489 5.185 1.00 0.00 H new ATOM 0 HG3 PRO A 13 3.418 13.439 4.517 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.631 13.758 2.912 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.077 14.446 2.484 1.00 0.00 H new ATOM 200 N ARG A 14 6.284 17.218 6.682 1.00 0.00 N ATOM 201 CA ARG A 14 7.281 17.270 7.774 1.00 0.00 C ATOM 202 C ARG A 14 7.082 16.145 8.804 1.00 0.00 C ATOM 203 O ARG A 14 6.039 15.485 8.842 1.00 0.00 O ATOM 204 CB ARG A 14 7.223 18.654 8.458 1.00 0.00 C ATOM 205 CG ARG A 14 7.846 19.796 7.634 1.00 0.00 C ATOM 206 CD ARG A 14 9.360 19.612 7.437 1.00 0.00 C ATOM 207 NE ARG A 14 10.015 20.854 6.976 1.00 0.00 N ATOM 208 CZ ARG A 14 10.142 21.305 5.739 1.00 0.00 C ATOM 209 NH1 ARG A 14 9.628 20.682 4.715 1.00 0.00 N ATOM 210 NH2 ARG A 14 10.799 22.405 5.508 1.00 0.00 N ATOM 0 H ARG A 14 5.546 17.915 6.785 1.00 0.00 H new ATOM 0 HA ARG A 14 8.267 17.118 7.335 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.182 18.899 8.667 1.00 0.00 H new ATOM 0 HB3 ARG A 14 7.735 18.593 9.418 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.358 19.847 6.661 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.659 20.746 8.134 1.00 0.00 H new ATOM 0 HD2 ARG A 14 9.811 19.292 8.376 1.00 0.00 H new ATOM 0 HD3 ARG A 14 9.537 18.818 6.711 1.00 0.00 H new ATOM 0 HE ARG A 14 10.422 21.439 7.706 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.107 19.816 4.854 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.747 21.061 3.775 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.217 22.921 6.282 1.00 0.00 H new ATOM 0 HH22 ARG A 14 10.895 22.751 4.553 1.00 0.00 H new ATOM 224 N GLY A 15 8.078 15.964 9.674 1.00 0.00 N ATOM 225 CA GLY A 15 8.087 14.951 10.736 1.00 0.00 C ATOM 226 C GLY A 15 8.282 13.517 10.224 1.00 0.00 C ATOM 227 O GLY A 15 8.555 13.282 9.045 1.00 0.00 O ATOM 0 H GLY A 15 8.925 16.533 9.660 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.883 15.186 11.442 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.147 15.006 11.285 1.00 0.00 H new ATOM 231 N SER A 16 8.125 12.541 11.122 1.00 0.00 N ATOM 232 CA SER A 16 8.280 11.094 10.868 1.00 0.00 C ATOM 233 C SER A 16 7.242 10.483 9.911 1.00 0.00 C ATOM 234 O SER A 16 7.320 9.292 9.618 1.00 0.00 O ATOM 235 CB SER A 16 8.253 10.327 12.204 1.00 0.00 C ATOM 236 OG SER A 16 9.228 10.838 13.102 1.00 0.00 O ATOM 0 H SER A 16 7.875 12.740 12.091 1.00 0.00 H new ATOM 0 HA SER A 16 9.242 10.992 10.365 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.263 10.405 12.653 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.438 9.268 12.024 1.00 0.00 H new ATOM 0 HG SER A 16 9.192 10.337 13.944 1.00 0.00 H new ATOM 242 N GLN A 17 6.284 11.262 9.394 1.00 0.00 N ATOM 243 CA GLN A 17 5.168 10.791 8.561 1.00 0.00 C ATOM 244 C GLN A 17 5.610 9.984 7.322 1.00 0.00 C ATOM 245 O GLN A 17 4.939 9.027 6.932 1.00 0.00 O ATOM 246 CB GLN A 17 4.308 11.992 8.127 1.00 0.00 C ATOM 247 CG GLN A 17 3.703 12.760 9.318 1.00 0.00 C ATOM 248 CD GLN A 17 2.651 13.784 8.888 1.00 0.00 C ATOM 249 OE1 GLN A 17 1.761 13.506 8.095 1.00 0.00 O ATOM 250 NE2 GLN A 17 2.672 14.986 9.420 1.00 0.00 N ATOM 0 H GLN A 17 6.263 12.270 9.548 1.00 0.00 H new ATOM 0 HA GLN A 17 4.589 10.104 9.177 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.918 12.674 7.534 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.503 11.641 7.481 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.251 12.050 10.011 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.500 13.270 9.859 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.405 15.238 10.083 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.955 15.667 9.170 1.00 0.00 H new ATOM 259 N GLU A 18 6.753 10.328 6.719 1.00 0.00 N ATOM 260 CA GLU A 18 7.329 9.590 5.585 1.00 0.00 C ATOM 261 C GLU A 18 7.948 8.233 5.968 1.00 0.00 C ATOM 262 O GLU A 18 8.123 7.379 5.098 1.00 0.00 O ATOM 263 CB GLU A 18 8.413 10.439 4.902 1.00 0.00 C ATOM 264 CG GLU A 18 7.884 11.739 4.282 1.00 0.00 C ATOM 265 CD GLU A 18 8.977 12.390 3.414 1.00 0.00 C ATOM 266 OE1 GLU A 18 9.943 12.969 3.971 1.00 0.00 O ATOM 267 OE2 GLU A 18 8.896 12.297 2.165 1.00 0.00 O ATOM 0 H GLU A 18 7.310 11.133 7.005 1.00 0.00 H new ATOM 0 HA GLU A 18 6.494 9.388 4.914 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.184 10.684 5.633 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.890 9.844 4.123 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.003 11.530 3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.574 12.427 5.068 1.00 0.00 H new ATOM 274 N ILE A 19 8.298 8.011 7.240 1.00 0.00 N ATOM 275 CA ILE A 19 8.952 6.782 7.728 1.00 0.00 C ATOM 276 C ILE A 19 7.956 5.614 7.769 1.00 0.00 C ATOM 277 O ILE A 19 8.306 4.498 7.393 1.00 0.00 O ATOM 278 CB ILE A 19 9.636 7.006 9.102 1.00 0.00 C ATOM 279 CG1 ILE A 19 10.625 8.197 9.021 1.00 0.00 C ATOM 280 CG2 ILE A 19 10.368 5.729 9.559 1.00 0.00 C ATOM 281 CD1 ILE A 19 11.354 8.528 10.331 1.00 0.00 C ATOM 0 H ILE A 19 8.132 8.694 7.979 1.00 0.00 H new ATOM 0 HA ILE A 19 9.741 6.519 7.023 1.00 0.00 H new ATOM 0 HB ILE A 19 8.866 7.241 9.837 1.00 0.00 H new ATOM 0 HG12 ILE A 19 11.369 7.980 8.254 1.00 0.00 H new ATOM 0 HG13 ILE A 19 10.078 9.082 8.694 1.00 0.00 H new ATOM 0 HG21 ILE A 19 10.841 5.907 10.525 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.652 4.912 9.651 1.00 0.00 H new ATOM 0 HG23 ILE A 19 11.129 5.464 8.825 1.00 0.00 H new ATOM 0 HD11 ILE A 19 12.022 9.374 10.172 1.00 0.00 H new ATOM 0 HD12 ILE A 19 10.624 8.782 11.100 1.00 0.00 H new ATOM 0 HD13 ILE A 19 11.934 7.663 10.653 1.00 0.00 H new ATOM 293 N GLU A 20 6.696 5.868 8.136 1.00 0.00 N ATOM 294 CA GLU A 20 5.611 4.879 8.047 1.00 0.00 C ATOM 295 C GLU A 20 5.462 4.345 6.607 1.00 0.00 C ATOM 296 O GLU A 20 5.516 3.135 6.376 1.00 0.00 O ATOM 297 CB GLU A 20 4.288 5.491 8.548 1.00 0.00 C ATOM 298 CG GLU A 20 4.082 5.394 10.066 1.00 0.00 C ATOM 299 CD GLU A 20 4.995 6.337 10.874 1.00 0.00 C ATOM 300 OE1 GLU A 20 4.658 7.539 11.002 1.00 0.00 O ATOM 301 OE2 GLU A 20 6.024 5.871 11.422 1.00 0.00 O ATOM 0 H GLU A 20 6.396 6.770 8.506 1.00 0.00 H new ATOM 0 HA GLU A 20 5.865 4.034 8.687 1.00 0.00 H new ATOM 0 HB2 GLU A 20 4.253 6.540 8.255 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.458 4.992 8.048 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.042 5.622 10.298 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.262 4.367 10.384 1.00 0.00 H new ATOM 308 N ALA A 21 5.339 5.249 5.627 1.00 0.00 N ATOM 309 CA ALA A 21 5.311 4.917 4.200 1.00 0.00 C ATOM 310 C ALA A 21 6.584 4.175 3.736 1.00 0.00 C ATOM 311 O ALA A 21 6.487 3.197 2.987 1.00 0.00 O ATOM 312 CB ALA A 21 5.090 6.214 3.412 1.00 0.00 C ATOM 0 H ALA A 21 5.255 6.249 5.809 1.00 0.00 H new ATOM 0 HA ALA A 21 4.492 4.223 4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.065 5.992 2.345 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.143 6.664 3.711 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.904 6.909 3.619 1.00 0.00 H new ATOM 318 N LYS A 22 7.769 4.598 4.208 1.00 0.00 N ATOM 319 CA LYS A 22 9.065 3.950 3.938 1.00 0.00 C ATOM 320 C LYS A 22 9.064 2.480 4.360 1.00 0.00 C ATOM 321 O LYS A 22 9.324 1.602 3.540 1.00 0.00 O ATOM 322 CB LYS A 22 10.210 4.722 4.629 1.00 0.00 C ATOM 323 CG LYS A 22 11.559 4.555 3.912 1.00 0.00 C ATOM 324 CD LYS A 22 11.706 5.383 2.619 1.00 0.00 C ATOM 325 CE LYS A 22 12.138 6.844 2.848 1.00 0.00 C ATOM 326 NZ LYS A 22 11.036 7.724 3.323 1.00 0.00 N ATOM 0 H LYS A 22 7.855 5.422 4.804 1.00 0.00 H new ATOM 0 HA LYS A 22 9.230 3.976 2.861 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.955 5.781 4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.306 4.376 5.658 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.358 4.834 4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 22 11.699 3.501 3.671 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.436 4.898 1.972 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.755 5.377 2.087 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.948 6.864 3.577 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.537 7.246 1.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.225 8.704 3.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.136 7.407 2.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.976 7.676 4.360 1.00 0.00 H new ATOM 340 N GLU A 23 8.735 2.208 5.624 1.00 0.00 N ATOM 341 CA GLU A 23 8.653 0.853 6.181 1.00 0.00 C ATOM 342 C GLU A 23 7.675 -0.031 5.398 1.00 0.00 C ATOM 343 O GLU A 23 8.005 -1.172 5.087 1.00 0.00 O ATOM 344 CB GLU A 23 8.251 0.904 7.665 1.00 0.00 C ATOM 345 CG GLU A 23 9.359 1.432 8.589 1.00 0.00 C ATOM 346 CD GLU A 23 10.543 0.452 8.684 1.00 0.00 C ATOM 347 OE1 GLU A 23 10.433 -0.569 9.404 1.00 0.00 O ATOM 348 OE2 GLU A 23 11.594 0.700 8.042 1.00 0.00 O ATOM 0 H GLU A 23 8.514 2.936 6.304 1.00 0.00 H new ATOM 0 HA GLU A 23 9.644 0.407 6.094 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.370 1.536 7.772 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.966 -0.097 7.989 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.713 2.394 8.218 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.950 1.605 9.584 1.00 0.00 H new ATOM 355 N ALA A 24 6.500 0.485 5.031 1.00 0.00 N ATOM 356 CA ALA A 24 5.521 -0.235 4.219 1.00 0.00 C ATOM 357 C ALA A 24 6.036 -0.605 2.811 1.00 0.00 C ATOM 358 O ALA A 24 5.999 -1.782 2.438 1.00 0.00 O ATOM 359 CB ALA A 24 4.237 0.598 4.182 1.00 0.00 C ATOM 0 H ALA A 24 6.200 1.424 5.293 1.00 0.00 H new ATOM 0 HA ALA A 24 5.321 -1.202 4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.487 0.084 3.581 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.861 0.732 5.196 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.448 1.573 3.742 1.00 0.00 H new ATOM 365 N CYS A 25 6.524 0.362 2.023 1.00 0.00 N ATOM 366 CA CYS A 25 7.008 0.105 0.657 1.00 0.00 C ATOM 367 C CYS A 25 8.309 -0.728 0.595 1.00 0.00 C ATOM 368 O CYS A 25 8.559 -1.407 -0.406 1.00 0.00 O ATOM 369 CB CYS A 25 7.121 1.434 -0.111 1.00 0.00 C ATOM 370 SG CYS A 25 8.538 2.428 0.441 1.00 0.00 S ATOM 0 H CYS A 25 6.595 1.338 2.310 1.00 0.00 H new ATOM 0 HA CYS A 25 6.267 -0.526 0.165 1.00 0.00 H new ATOM 0 HB2 CYS A 25 7.217 1.228 -1.177 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.204 2.007 0.022 1.00 0.00 H new ATOM 0 HG CYS A 25 8.860 2.089 1.654 1.00 0.00 H new ATOM 376 N ASP A 26 9.121 -0.722 1.658 1.00 0.00 N ATOM 377 CA ASP A 26 10.278 -1.608 1.843 1.00 0.00 C ATOM 378 C ASP A 26 9.867 -3.023 2.297 1.00 0.00 C ATOM 379 O ASP A 26 10.426 -4.017 1.827 1.00 0.00 O ATOM 380 CB ASP A 26 11.236 -0.976 2.860 1.00 0.00 C ATOM 381 CG ASP A 26 12.529 -1.793 3.009 1.00 0.00 C ATOM 382 OD1 ASP A 26 13.375 -1.759 2.083 1.00 0.00 O ATOM 383 OD2 ASP A 26 12.715 -2.453 4.059 1.00 0.00 O ATOM 0 H ASP A 26 8.987 -0.080 2.439 1.00 0.00 H new ATOM 0 HA ASP A 26 10.775 -1.721 0.880 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.481 0.039 2.547 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.740 -0.900 3.828 1.00 0.00 H new ATOM 388 N TRP A 27 8.869 -3.141 3.179 1.00 0.00 N ATOM 389 CA TRP A 27 8.351 -4.431 3.641 1.00 0.00 C ATOM 390 C TRP A 27 7.671 -5.225 2.518 1.00 0.00 C ATOM 391 O TRP A 27 7.961 -6.406 2.356 1.00 0.00 O ATOM 392 CB TRP A 27 7.407 -4.239 4.835 1.00 0.00 C ATOM 393 CG TRP A 27 6.916 -5.528 5.414 1.00 0.00 C ATOM 394 CD1 TRP A 27 7.535 -6.230 6.392 1.00 0.00 C ATOM 395 CD2 TRP A 27 5.781 -6.344 4.987 1.00 0.00 C ATOM 396 NE1 TRP A 27 6.864 -7.421 6.598 1.00 0.00 N ATOM 397 CE2 TRP A 27 5.804 -7.560 5.730 1.00 0.00 C ATOM 398 CE3 TRP A 27 4.764 -6.200 4.018 1.00 0.00 C ATOM 399 CZ2 TRP A 27 4.888 -8.594 5.499 1.00 0.00 C ATOM 400 CZ3 TRP A 27 3.829 -7.226 3.790 1.00 0.00 C ATOM 401 CH2 TRP A 27 3.899 -8.424 4.516 1.00 0.00 C ATOM 0 H TRP A 27 8.396 -2.339 3.594 1.00 0.00 H new ATOM 0 HA TRP A 27 9.206 -5.023 3.967 1.00 0.00 H new ATOM 0 HB2 TRP A 27 7.924 -3.674 5.611 1.00 0.00 H new ATOM 0 HB3 TRP A 27 6.552 -3.641 4.521 1.00 0.00 H new ATOM 0 HD1 TRP A 27 8.416 -5.909 6.928 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.122 -8.110 7.304 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.703 -5.288 3.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 4.941 -9.510 6.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.053 -7.090 3.052 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.192 -9.216 4.319 1.00 0.00 H new ATOM 412 N LEU A 28 6.797 -4.600 1.717 1.00 0.00 N ATOM 413 CA LEU A 28 6.042 -5.267 0.642 1.00 0.00 C ATOM 414 C LEU A 28 6.952 -5.983 -0.377 1.00 0.00 C ATOM 415 O LEU A 28 6.710 -7.145 -0.723 1.00 0.00 O ATOM 416 CB LEU A 28 5.121 -4.233 -0.038 1.00 0.00 C ATOM 417 CG LEU A 28 3.857 -3.889 0.774 1.00 0.00 C ATOM 418 CD1 LEU A 28 3.206 -2.617 0.232 1.00 0.00 C ATOM 419 CD2 LEU A 28 2.814 -5.007 0.711 1.00 0.00 C ATOM 0 H LEU A 28 6.590 -3.604 1.797 1.00 0.00 H new ATOM 0 HA LEU A 28 5.436 -6.056 1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.687 -3.318 -0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.821 -4.615 -1.014 1.00 0.00 H new ATOM 0 HG LEU A 28 4.179 -3.753 1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.315 -2.387 0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.911 -1.788 0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.928 -2.767 -0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.940 -4.723 1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.519 -5.171 -0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.240 -5.925 1.117 1.00 0.00 H new ATOM 431 N ARG A 29 8.027 -5.320 -0.825 1.00 0.00 N ATOM 432 CA ARG A 29 9.050 -5.919 -1.706 1.00 0.00 C ATOM 433 C ARG A 29 9.863 -7.031 -1.025 1.00 0.00 C ATOM 434 O ARG A 29 10.127 -8.053 -1.657 1.00 0.00 O ATOM 435 CB ARG A 29 9.943 -4.827 -2.334 1.00 0.00 C ATOM 436 CG ARG A 29 10.823 -4.068 -1.326 1.00 0.00 C ATOM 437 CD ARG A 29 11.691 -2.987 -1.973 1.00 0.00 C ATOM 438 NE ARG A 29 10.928 -1.753 -2.242 1.00 0.00 N ATOM 439 CZ ARG A 29 11.365 -0.687 -2.887 1.00 0.00 C ATOM 440 NH1 ARG A 29 12.562 -0.631 -3.403 1.00 0.00 N ATOM 441 NH2 ARG A 29 10.603 0.359 -3.023 1.00 0.00 N ATOM 0 H ARG A 29 8.216 -4.346 -0.587 1.00 0.00 H new ATOM 0 HA ARG A 29 8.519 -6.417 -2.517 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.586 -5.288 -3.084 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.308 -4.111 -2.855 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.185 -3.608 -0.571 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.467 -4.779 -0.809 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.532 -2.758 -1.319 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.107 -3.367 -2.906 1.00 0.00 H new ATOM 0 HE ARG A 29 9.969 -1.720 -1.896 1.00 0.00 H new ATOM 0 HH11 ARG A 29 13.193 -1.427 -3.315 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.867 0.209 -3.895 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.662 0.359 -2.630 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.947 1.179 -3.522 1.00 0.00 H new ATOM 455 N ALA A 30 10.225 -6.867 0.251 1.00 0.00 N ATOM 456 CA ALA A 30 10.977 -7.858 1.032 1.00 0.00 C ATOM 457 C ALA A 30 10.154 -9.127 1.346 1.00 0.00 C ATOM 458 O ALA A 30 10.688 -10.238 1.322 1.00 0.00 O ATOM 459 CB ALA A 30 11.467 -7.190 2.322 1.00 0.00 C ATOM 0 H ALA A 30 10.000 -6.026 0.782 1.00 0.00 H new ATOM 0 HA ALA A 30 11.823 -8.195 0.433 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.028 -7.912 2.915 1.00 0.00 H new ATOM 0 HB2 ALA A 30 12.111 -6.346 2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.611 -6.836 2.896 1.00 0.00 H new ATOM 465 N ALA A 31 8.854 -8.964 1.608 1.00 0.00 N ATOM 466 CA ALA A 31 7.881 -10.029 1.830 1.00 0.00 C ATOM 467 C ALA A 31 7.750 -10.954 0.605 1.00 0.00 C ATOM 468 O ALA A 31 7.795 -12.179 0.738 1.00 0.00 O ATOM 469 CB ALA A 31 6.543 -9.367 2.189 1.00 0.00 C ATOM 0 H ALA A 31 8.434 -8.037 1.674 1.00 0.00 H new ATOM 0 HA ALA A 31 8.213 -10.670 2.647 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.791 -10.137 2.362 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.664 -8.768 3.092 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.223 -8.725 1.368 1.00 0.00 H new ATOM 475 N GLY A 32 7.616 -10.366 -0.591 1.00 0.00 N ATOM 476 CA GLY A 32 7.488 -11.083 -1.867 1.00 0.00 C ATOM 477 C GLY A 32 6.400 -10.546 -2.807 1.00 0.00 C ATOM 478 O GLY A 32 6.128 -11.179 -3.829 1.00 0.00 O ATOM 0 H GLY A 32 7.593 -9.352 -0.701 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.446 -11.045 -2.385 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.280 -12.132 -1.658 1.00 0.00 H new ATOM 482 N PHE A 33 5.788 -9.398 -2.494 1.00 0.00 N ATOM 483 CA PHE A 33 4.755 -8.745 -3.310 1.00 0.00 C ATOM 484 C PHE A 33 5.134 -7.282 -3.649 1.00 0.00 C ATOM 485 O PHE A 33 4.427 -6.348 -3.251 1.00 0.00 O ATOM 486 CB PHE A 33 3.390 -8.867 -2.609 1.00 0.00 C ATOM 487 CG PHE A 33 2.951 -10.270 -2.224 1.00 0.00 C ATOM 488 CD1 PHE A 33 2.628 -11.212 -3.220 1.00 0.00 C ATOM 489 CD2 PHE A 33 2.820 -10.624 -0.865 1.00 0.00 C ATOM 490 CE1 PHE A 33 2.182 -12.498 -2.862 1.00 0.00 C ATOM 491 CE2 PHE A 33 2.365 -11.905 -0.508 1.00 0.00 C ATOM 492 CZ PHE A 33 2.050 -12.845 -1.506 1.00 0.00 C ATOM 0 H PHE A 33 6.003 -8.882 -1.641 1.00 0.00 H new ATOM 0 HA PHE A 33 4.681 -9.255 -4.270 1.00 0.00 H new ATOM 0 HB2 PHE A 33 3.414 -8.257 -1.706 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.631 -8.439 -3.263 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.723 -10.946 -4.263 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.070 -9.908 -0.096 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.941 -13.219 -3.629 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.257 -12.168 0.534 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.707 -13.832 -1.231 1.00 0.00 H new ATOM 502 N PRO A 34 6.222 -7.046 -4.416 1.00 0.00 N ATOM 503 CA PRO A 34 6.662 -5.698 -4.798 1.00 0.00 C ATOM 504 C PRO A 34 5.657 -4.967 -5.701 1.00 0.00 C ATOM 505 O PRO A 34 5.652 -3.735 -5.746 1.00 0.00 O ATOM 506 CB PRO A 34 8.010 -5.891 -5.507 1.00 0.00 C ATOM 507 CG PRO A 34 7.927 -7.310 -6.062 1.00 0.00 C ATOM 508 CD PRO A 34 7.107 -8.046 -5.006 1.00 0.00 C ATOM 0 HA PRO A 34 6.747 -5.064 -3.916 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.153 -5.158 -6.301 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.846 -5.780 -4.816 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.442 -7.334 -7.038 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.915 -7.753 -6.186 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.535 -8.859 -5.453 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.754 -8.490 -4.249 1.00 0.00 H new ATOM 516 N GLN A 35 4.769 -5.704 -6.382 1.00 0.00 N ATOM 517 CA GLN A 35 3.687 -5.161 -7.209 1.00 0.00 C ATOM 518 C GLN A 35 2.825 -4.130 -6.460 1.00 0.00 C ATOM 519 O GLN A 35 2.553 -3.060 -7.003 1.00 0.00 O ATOM 520 CB GLN A 35 2.851 -6.308 -7.811 1.00 0.00 C ATOM 521 CG GLN A 35 2.116 -7.203 -6.791 1.00 0.00 C ATOM 522 CD GLN A 35 1.401 -8.369 -7.475 1.00 0.00 C ATOM 523 OE1 GLN A 35 2.014 -9.299 -7.985 1.00 0.00 O ATOM 524 NE2 GLN A 35 0.085 -8.374 -7.516 1.00 0.00 N ATOM 0 H GLN A 35 4.786 -6.724 -6.371 1.00 0.00 H new ATOM 0 HA GLN A 35 4.141 -4.608 -8.031 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.113 -5.879 -8.489 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.508 -6.937 -8.412 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.831 -7.590 -6.065 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.391 -6.605 -6.238 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.441 -7.608 -7.096 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.408 -9.144 -7.967 1.00 0.00 H new ATOM 533 N TYR A 36 2.445 -4.401 -5.204 1.00 0.00 N ATOM 534 CA TYR A 36 1.658 -3.461 -4.401 1.00 0.00 C ATOM 535 C TYR A 36 2.426 -2.159 -4.154 1.00 0.00 C ATOM 536 O TYR A 36 1.900 -1.091 -4.448 1.00 0.00 O ATOM 537 CB TYR A 36 1.204 -4.109 -3.086 1.00 0.00 C ATOM 538 CG TYR A 36 0.250 -5.277 -3.267 1.00 0.00 C ATOM 539 CD1 TYR A 36 -1.000 -5.084 -3.888 1.00 0.00 C ATOM 540 CD2 TYR A 36 0.614 -6.557 -2.811 1.00 0.00 C ATOM 541 CE1 TYR A 36 -1.874 -6.174 -4.070 1.00 0.00 C ATOM 542 CE2 TYR A 36 -0.255 -7.651 -2.994 1.00 0.00 C ATOM 543 CZ TYR A 36 -1.503 -7.462 -3.627 1.00 0.00 C ATOM 544 OH TYR A 36 -2.352 -8.510 -3.814 1.00 0.00 O ATOM 0 H TYR A 36 2.673 -5.270 -4.721 1.00 0.00 H new ATOM 0 HA TYR A 36 0.763 -3.204 -4.968 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.083 -4.453 -2.541 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.721 -3.352 -2.468 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.289 -4.099 -4.225 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.564 -6.702 -2.318 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.830 -6.024 -4.550 1.00 0.00 H new ATOM 0 HE2 TYR A 36 0.033 -8.633 -2.650 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.948 -9.327 -3.454 1.00 0.00 H new ATOM 554 N ALA A 37 3.686 -2.229 -3.702 1.00 0.00 N ATOM 555 CA ALA A 37 4.546 -1.056 -3.502 1.00 0.00 C ATOM 556 C ALA A 37 4.683 -0.189 -4.771 1.00 0.00 C ATOM 557 O ALA A 37 4.551 1.035 -4.701 1.00 0.00 O ATOM 558 CB ALA A 37 5.914 -1.519 -2.985 1.00 0.00 C ATOM 0 H ALA A 37 4.140 -3.110 -3.463 1.00 0.00 H new ATOM 0 HA ALA A 37 4.074 -0.412 -2.759 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.558 -0.653 -2.834 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.786 -2.045 -2.039 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.371 -2.188 -3.714 1.00 0.00 H new ATOM 564 N GLN A 38 4.895 -0.809 -5.939 1.00 0.00 N ATOM 565 CA GLN A 38 4.975 -0.113 -7.234 1.00 0.00 C ATOM 566 C GLN A 38 3.674 0.620 -7.625 1.00 0.00 C ATOM 567 O GLN A 38 3.730 1.652 -8.299 1.00 0.00 O ATOM 568 CB GLN A 38 5.385 -1.111 -8.332 1.00 0.00 C ATOM 569 CG GLN A 38 6.842 -1.591 -8.215 1.00 0.00 C ATOM 570 CD GLN A 38 7.853 -0.469 -8.458 1.00 0.00 C ATOM 571 OE1 GLN A 38 8.417 0.111 -7.540 1.00 0.00 O ATOM 572 NE2 GLN A 38 8.116 -0.110 -9.697 1.00 0.00 N ATOM 0 H GLN A 38 5.017 -1.819 -6.014 1.00 0.00 H new ATOM 0 HA GLN A 38 5.733 0.663 -7.129 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.722 -1.975 -8.292 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.242 -0.645 -9.307 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.003 -2.012 -7.222 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.015 -2.393 -8.933 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.655 -0.583 -10.474 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.781 0.641 -9.880 1.00 0.00 H new ATOM 581 N LEU A 39 2.509 0.143 -7.172 1.00 0.00 N ATOM 582 CA LEU A 39 1.192 0.764 -7.388 1.00 0.00 C ATOM 583 C LEU A 39 0.947 2.054 -6.566 1.00 0.00 C ATOM 584 O LEU A 39 -0.088 2.698 -6.755 1.00 0.00 O ATOM 585 CB LEU A 39 0.088 -0.302 -7.167 1.00 0.00 C ATOM 586 CG LEU A 39 -0.467 -0.910 -8.471 1.00 0.00 C ATOM 587 CD1 LEU A 39 0.555 -1.691 -9.296 1.00 0.00 C ATOM 588 CD2 LEU A 39 -1.622 -1.861 -8.148 1.00 0.00 C ATOM 0 H LEU A 39 2.453 -0.716 -6.625 1.00 0.00 H new ATOM 0 HA LEU A 39 1.161 1.112 -8.420 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.490 -1.103 -6.547 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.733 0.150 -6.611 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.784 -0.056 -9.069 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.076 -2.082 -10.194 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.374 -1.031 -9.580 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.945 -2.519 -8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.011 -2.288 -9.072 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.264 -2.662 -7.501 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.415 -1.311 -7.641 1.00 0.00 H new ATOM 600 N TYR A 40 1.869 2.479 -5.687 1.00 0.00 N ATOM 601 CA TYR A 40 1.756 3.748 -4.941 1.00 0.00 C ATOM 602 C TYR A 40 1.786 4.983 -5.853 1.00 0.00 C ATOM 603 O TYR A 40 0.921 5.853 -5.747 1.00 0.00 O ATOM 604 CB TYR A 40 2.856 3.865 -3.872 1.00 0.00 C ATOM 605 CG TYR A 40 2.805 5.136 -3.034 1.00 0.00 C ATOM 606 CD1 TYR A 40 1.585 5.596 -2.492 1.00 0.00 C ATOM 607 CD2 TYR A 40 3.989 5.861 -2.798 1.00 0.00 C ATOM 608 CE1 TYR A 40 1.545 6.794 -1.751 1.00 0.00 C ATOM 609 CE2 TYR A 40 3.956 7.050 -2.044 1.00 0.00 C ATOM 610 CZ TYR A 40 2.731 7.524 -1.525 1.00 0.00 C ATOM 611 OH TYR A 40 2.690 8.677 -0.802 1.00 0.00 O ATOM 0 H TYR A 40 2.716 1.953 -5.472 1.00 0.00 H new ATOM 0 HA TYR A 40 0.781 3.723 -4.455 1.00 0.00 H new ATOM 0 HB2 TYR A 40 2.787 3.005 -3.206 1.00 0.00 H new ATOM 0 HB3 TYR A 40 3.827 3.810 -4.364 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.680 5.028 -2.646 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.927 5.504 -3.197 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.606 7.153 -1.356 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.868 7.600 -1.863 1.00 0.00 H new ATOM 0 HH TYR A 40 3.592 9.055 -0.738 1.00 0.00 H new ATOM 621 N GLU A 41 2.759 5.070 -6.766 1.00 0.00 N ATOM 622 CA GLU A 41 2.929 6.228 -7.662 1.00 0.00 C ATOM 623 C GLU A 41 1.770 6.378 -8.671 1.00 0.00 C ATOM 624 O GLU A 41 1.428 7.494 -9.068 1.00 0.00 O ATOM 625 CB GLU A 41 4.270 6.117 -8.407 1.00 0.00 C ATOM 626 CG GLU A 41 5.500 6.240 -7.492 1.00 0.00 C ATOM 627 CD GLU A 41 5.675 7.670 -6.943 1.00 0.00 C ATOM 628 OE1 GLU A 41 6.239 8.535 -7.660 1.00 0.00 O ATOM 629 OE2 GLU A 41 5.264 7.943 -5.790 1.00 0.00 O ATOM 0 H GLU A 41 3.456 4.339 -6.908 1.00 0.00 H new ATOM 0 HA GLU A 41 2.922 7.122 -7.039 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.309 5.159 -8.926 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.317 6.894 -9.170 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.403 5.542 -6.660 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.394 5.953 -8.046 1.00 0.00 H new ATOM 636 N ASP A 42 1.125 5.270 -9.046 1.00 0.00 N ATOM 637 CA ASP A 42 -0.119 5.229 -9.832 1.00 0.00 C ATOM 638 C ASP A 42 -1.388 5.521 -8.997 1.00 0.00 C ATOM 639 O ASP A 42 -2.482 5.658 -9.549 1.00 0.00 O ATOM 640 CB ASP A 42 -0.227 3.859 -10.521 1.00 0.00 C ATOM 641 CG ASP A 42 0.703 3.763 -11.746 1.00 0.00 C ATOM 642 OD1 ASP A 42 0.269 4.141 -12.866 1.00 0.00 O ATOM 643 OD2 ASP A 42 1.862 3.310 -11.610 1.00 0.00 O ATOM 0 H ASP A 42 1.465 4.340 -8.803 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.065 6.027 -10.572 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.026 3.073 -9.810 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.258 3.688 -10.832 1.00 0.00 H new ATOM 648 N SER A 43 -1.256 5.639 -7.669 1.00 0.00 N ATOM 649 CA SER A 43 -2.334 5.759 -6.676 1.00 0.00 C ATOM 650 C SER A 43 -3.402 4.656 -6.798 1.00 0.00 C ATOM 651 O SER A 43 -4.600 4.911 -6.950 1.00 0.00 O ATOM 652 CB SER A 43 -2.907 7.180 -6.686 1.00 0.00 C ATOM 653 OG SER A 43 -3.572 7.394 -5.455 1.00 0.00 O ATOM 0 H SER A 43 -0.335 5.654 -7.231 1.00 0.00 H new ATOM 0 HA SER A 43 -1.901 5.591 -5.690 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.110 7.911 -6.820 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.598 7.306 -7.519 1.00 0.00 H new ATOM 0 HG SER A 43 -3.946 8.300 -5.438 1.00 0.00 H new ATOM 659 N GLN A 44 -2.953 3.397 -6.731 1.00 0.00 N ATOM 660 CA GLN A 44 -3.776 2.182 -6.862 1.00 0.00 C ATOM 661 C GLN A 44 -3.694 1.256 -5.628 1.00 0.00 C ATOM 662 O GLN A 44 -4.102 0.098 -5.691 1.00 0.00 O ATOM 663 CB GLN A 44 -3.416 1.460 -8.173 1.00 0.00 C ATOM 664 CG GLN A 44 -3.828 2.246 -9.426 1.00 0.00 C ATOM 665 CD GLN A 44 -3.545 1.482 -10.722 1.00 0.00 C ATOM 666 OE1 GLN A 44 -2.461 0.965 -10.958 1.00 0.00 O ATOM 667 NE2 GLN A 44 -4.501 1.376 -11.623 1.00 0.00 N ATOM 0 H GLN A 44 -1.967 3.185 -6.578 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.822 2.484 -6.907 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.341 1.283 -8.200 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.901 0.484 -8.188 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.892 2.478 -9.371 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.295 3.196 -9.445 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.413 1.798 -11.450 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.328 0.872 -12.493 1.00 0.00 H new ATOM 676 N PHE A 45 -3.188 1.752 -4.492 1.00 0.00 N ATOM 677 CA PHE A 45 -3.221 1.071 -3.187 1.00 0.00 C ATOM 678 C PHE A 45 -4.638 0.750 -2.656 1.00 0.00 C ATOM 679 O PHE A 45 -4.877 -0.410 -2.299 1.00 0.00 O ATOM 680 CB PHE A 45 -2.418 1.876 -2.149 1.00 0.00 C ATOM 681 CG PHE A 45 -1.059 1.288 -1.836 1.00 0.00 C ATOM 682 CD1 PHE A 45 -0.004 1.425 -2.749 1.00 0.00 C ATOM 683 CD2 PHE A 45 -0.848 0.602 -0.626 1.00 0.00 C ATOM 684 CE1 PHE A 45 1.268 0.921 -2.431 1.00 0.00 C ATOM 685 CE2 PHE A 45 0.429 0.100 -0.310 1.00 0.00 C ATOM 686 CZ PHE A 45 1.489 0.262 -1.212 1.00 0.00 C ATOM 0 H PHE A 45 -2.731 2.663 -4.452 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.756 0.099 -3.351 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.287 2.894 -2.515 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.996 1.941 -1.227 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.169 1.918 -3.696 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.668 0.460 0.063 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.082 1.042 -3.130 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.592 -0.410 0.628 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.471 -0.118 -0.970 1.00 0.00 H new ATOM 696 N PRO A 46 -5.584 1.715 -2.563 1.00 0.00 N ATOM 697 CA PRO A 46 -6.920 1.477 -2.005 1.00 0.00 C ATOM 698 C PRO A 46 -7.838 0.727 -2.993 1.00 0.00 C ATOM 699 O PRO A 46 -8.711 1.315 -3.634 1.00 0.00 O ATOM 700 CB PRO A 46 -7.445 2.866 -1.605 1.00 0.00 C ATOM 701 CG PRO A 46 -6.767 3.800 -2.602 1.00 0.00 C ATOM 702 CD PRO A 46 -5.406 3.144 -2.819 1.00 0.00 C ATOM 0 HA PRO A 46 -6.891 0.817 -1.138 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.531 2.921 -1.677 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.181 3.115 -0.577 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.331 3.876 -3.532 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.669 4.811 -2.206 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.052 3.314 -3.836 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.660 3.568 -2.147 1.00 0.00 H new ATOM 710 N ILE A 47 -7.645 -0.593 -3.106 1.00 0.00 N ATOM 711 CA ILE A 47 -8.419 -1.513 -3.961 1.00 0.00 C ATOM 712 C ILE A 47 -8.986 -2.694 -3.154 1.00 0.00 C ATOM 713 O ILE A 47 -8.526 -3.831 -3.257 1.00 0.00 O ATOM 714 CB ILE A 47 -7.622 -1.956 -5.213 1.00 0.00 C ATOM 715 CG1 ILE A 47 -6.228 -2.552 -4.893 1.00 0.00 C ATOM 716 CG2 ILE A 47 -7.496 -0.769 -6.187 1.00 0.00 C ATOM 717 CD1 ILE A 47 -5.679 -3.424 -6.028 1.00 0.00 C ATOM 0 H ILE A 47 -6.914 -1.074 -2.582 1.00 0.00 H new ATOM 0 HA ILE A 47 -9.279 -0.962 -4.340 1.00 0.00 H new ATOM 0 HB ILE A 47 -8.185 -2.767 -5.675 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.528 -1.740 -4.694 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.293 -3.148 -3.982 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.935 -1.080 -7.069 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.490 -0.438 -6.487 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.973 0.051 -5.695 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.701 -3.814 -5.747 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.361 -4.254 -6.212 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.584 -2.825 -6.934 1.00 0.00 H new ATOM 729 N ASN A 48 -10.019 -2.414 -2.351 1.00 0.00 N ATOM 730 CA ASN A 48 -10.770 -3.387 -1.544 1.00 0.00 C ATOM 731 C ASN A 48 -9.848 -4.277 -0.677 1.00 0.00 C ATOM 732 O ASN A 48 -9.773 -5.490 -0.876 1.00 0.00 O ATOM 733 CB ASN A 48 -11.716 -4.206 -2.460 1.00 0.00 C ATOM 734 CG ASN A 48 -12.655 -3.369 -3.316 1.00 0.00 C ATOM 735 OD1 ASN A 48 -12.273 -2.766 -4.310 1.00 0.00 O ATOM 736 ND2 ASN A 48 -13.926 -3.320 -2.982 1.00 0.00 N ATOM 0 H ASN A 48 -10.371 -1.463 -2.240 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.384 -2.841 -0.828 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.112 -4.833 -3.115 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.312 -4.875 -1.839 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.582 -2.783 -3.549 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.256 -3.819 -2.156 1.00 0.00 H new ATOM 743 N ILE A 49 -9.149 -3.680 0.302 1.00 0.00 N ATOM 744 CA ILE A 49 -8.173 -4.368 1.179 1.00 0.00 C ATOM 745 C ILE A 49 -8.766 -5.644 1.801 1.00 0.00 C ATOM 746 O ILE A 49 -8.147 -6.707 1.743 1.00 0.00 O ATOM 747 CB ILE A 49 -7.587 -3.401 2.242 1.00 0.00 C ATOM 748 CG1 ILE A 49 -6.763 -2.300 1.530 1.00 0.00 C ATOM 749 CG2 ILE A 49 -6.708 -4.156 3.260 1.00 0.00 C ATOM 750 CD1 ILE A 49 -6.171 -1.230 2.456 1.00 0.00 C ATOM 0 H ILE A 49 -9.244 -2.687 0.514 1.00 0.00 H new ATOM 0 HA ILE A 49 -7.339 -4.691 0.556 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.410 -2.945 2.793 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.949 -2.774 0.981 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.400 -1.810 0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.312 -3.452 3.992 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.308 -4.910 3.770 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.882 -4.641 2.739 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.612 -0.505 1.864 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.976 -0.722 2.986 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.503 -1.702 3.177 1.00 0.00 H new ATOM 762 N VAL A 50 -9.989 -5.559 2.339 1.00 0.00 N ATOM 763 CA VAL A 50 -10.727 -6.697 2.920 1.00 0.00 C ATOM 764 C VAL A 50 -10.986 -7.837 1.920 1.00 0.00 C ATOM 765 O VAL A 50 -10.966 -9.005 2.306 1.00 0.00 O ATOM 766 CB VAL A 50 -12.024 -6.214 3.599 1.00 0.00 C ATOM 767 CG1 VAL A 50 -13.066 -5.658 2.619 1.00 0.00 C ATOM 768 CG2 VAL A 50 -12.673 -7.313 4.449 1.00 0.00 C ATOM 0 H VAL A 50 -10.507 -4.682 2.386 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.082 -7.132 3.684 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.704 -5.395 4.243 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -13.950 -5.339 3.171 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -12.645 -4.807 2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -13.344 -6.433 1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -13.583 -6.928 4.908 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -12.919 -8.165 3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -11.979 -7.628 5.228 1.00 0.00 H new ATOM 778 N ALA A 51 -11.175 -7.536 0.630 1.00 0.00 N ATOM 779 CA ALA A 51 -11.323 -8.542 -0.421 1.00 0.00 C ATOM 780 C ALA A 51 -9.978 -9.213 -0.752 1.00 0.00 C ATOM 781 O ALA A 51 -9.879 -10.441 -0.707 1.00 0.00 O ATOM 782 CB ALA A 51 -11.967 -7.907 -1.660 1.00 0.00 C ATOM 0 H ALA A 51 -11.230 -6.577 0.286 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.982 -9.332 -0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.075 -8.660 -2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.949 -7.512 -1.398 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -11.335 -7.096 -2.023 1.00 0.00 H new ATOM 788 N VAL A 52 -8.929 -8.435 -1.055 1.00 0.00 N ATOM 789 CA VAL A 52 -7.614 -8.995 -1.438 1.00 0.00 C ATOM 790 C VAL A 52 -6.937 -9.778 -0.307 1.00 0.00 C ATOM 791 O VAL A 52 -6.282 -10.787 -0.579 1.00 0.00 O ATOM 792 CB VAL A 52 -6.649 -7.955 -2.047 1.00 0.00 C ATOM 793 CG1 VAL A 52 -7.225 -7.372 -3.344 1.00 0.00 C ATOM 794 CG2 VAL A 52 -6.308 -6.796 -1.110 1.00 0.00 C ATOM 0 H VAL A 52 -8.960 -7.416 -1.044 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.848 -9.707 -2.230 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.728 -8.505 -2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.528 -6.642 -3.755 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.379 -8.174 -4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.178 -6.886 -3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.626 -6.110 -1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.221 -6.266 -0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.833 -7.184 -0.209 1.00 0.00 H new ATOM 804 N LYS A 53 -7.135 -9.402 0.970 1.00 0.00 N ATOM 805 CA LYS A 53 -6.636 -10.193 2.115 1.00 0.00 C ATOM 806 C LYS A 53 -7.393 -11.513 2.347 1.00 0.00 C ATOM 807 O LYS A 53 -6.880 -12.400 3.028 1.00 0.00 O ATOM 808 CB LYS A 53 -6.553 -9.338 3.396 1.00 0.00 C ATOM 809 CG LYS A 53 -7.905 -9.130 4.097 1.00 0.00 C ATOM 810 CD LYS A 53 -7.812 -8.272 5.368 1.00 0.00 C ATOM 811 CE LYS A 53 -7.036 -9.000 6.478 1.00 0.00 C ATOM 812 NZ LYS A 53 -7.118 -8.278 7.775 1.00 0.00 N ATOM 0 H LYS A 53 -7.637 -8.555 1.237 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.624 -10.495 1.845 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.863 -9.813 4.093 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.132 -8.365 3.144 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.598 -8.658 3.400 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.325 -10.102 4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.320 -7.328 5.137 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.815 -8.031 5.721 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.433 -10.008 6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.991 -9.102 6.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.043 -8.959 8.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.340 -7.590 7.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.028 -7.778 7.837 1.00 0.00 H new ATOM 826 N ASN A 54 -8.591 -11.660 1.772 1.00 0.00 N ATOM 827 CA ASN A 54 -9.446 -12.852 1.870 1.00 0.00 C ATOM 828 C ASN A 54 -9.227 -13.865 0.721 1.00 0.00 C ATOM 829 O ASN A 54 -9.949 -14.861 0.650 1.00 0.00 O ATOM 830 CB ASN A 54 -10.923 -12.410 1.994 1.00 0.00 C ATOM 831 CG ASN A 54 -11.317 -11.891 3.373 1.00 0.00 C ATOM 832 OD1 ASN A 54 -10.538 -11.834 4.316 1.00 0.00 O ATOM 833 ND2 ASN A 54 -12.572 -11.541 3.550 1.00 0.00 N ATOM 0 H ASN A 54 -9.010 -10.924 1.203 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.160 -13.397 2.769 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -11.118 -11.631 1.258 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.564 -13.255 1.742 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -12.889 -11.225 4.467 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.229 -11.585 2.771 1.00 0.00 H new ATOM 840 N ASP A 55 -8.240 -13.666 -0.165 1.00 0.00 N ATOM 841 CA ASP A 55 -7.858 -14.613 -1.232 1.00 0.00 C ATOM 842 C ASP A 55 -7.123 -15.870 -0.693 1.00 0.00 C ATOM 843 O ASP A 55 -6.010 -16.206 -1.105 1.00 0.00 O ATOM 844 CB ASP A 55 -7.055 -13.888 -2.332 1.00 0.00 C ATOM 845 CG ASP A 55 -7.900 -12.935 -3.200 1.00 0.00 C ATOM 846 OD1 ASP A 55 -9.083 -13.241 -3.484 1.00 0.00 O ATOM 847 OD2 ASP A 55 -7.355 -11.906 -3.671 1.00 0.00 O ATOM 0 H ASP A 55 -7.668 -12.821 -0.162 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.778 -14.990 -1.678 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.250 -13.320 -1.865 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.588 -14.632 -2.977 1.00 0.00 H new ATOM 852 N HIS A 56 -7.772 -16.605 0.215 1.00 0.00 N ATOM 853 CA HIS A 56 -7.342 -17.890 0.790 1.00 0.00 C ATOM 854 C HIS A 56 -7.257 -19.033 -0.253 1.00 0.00 C ATOM 855 O HIS A 56 -6.724 -20.108 0.025 1.00 0.00 O ATOM 856 CB HIS A 56 -8.310 -18.219 1.943 1.00 0.00 C ATOM 857 CG HIS A 56 -7.983 -19.448 2.765 1.00 0.00 C ATOM 858 ND1 HIS A 56 -6.733 -19.967 3.026 1.00 0.00 N ATOM 859 CD2 HIS A 56 -8.900 -20.249 3.393 1.00 0.00 C ATOM 860 CE1 HIS A 56 -6.890 -21.069 3.782 1.00 0.00 C ATOM 861 NE2 HIS A 56 -8.195 -21.273 4.040 1.00 0.00 N ATOM 0 H HIS A 56 -8.669 -16.302 0.594 1.00 0.00 H new ATOM 0 HA HIS A 56 -6.322 -17.798 1.162 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -8.348 -17.360 2.613 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -9.309 -18.343 1.526 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -9.972 -20.116 3.390 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.085 -21.699 4.131 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -8.594 -22.027 4.599 1.00 0.00 H new ATOM 869 N ASP A 57 -7.725 -18.803 -1.485 1.00 0.00 N ATOM 870 CA ASP A 57 -7.470 -19.664 -2.649 1.00 0.00 C ATOM 871 C ASP A 57 -5.964 -19.789 -2.990 1.00 0.00 C ATOM 872 O ASP A 57 -5.545 -20.789 -3.577 1.00 0.00 O ATOM 873 CB ASP A 57 -8.264 -19.115 -3.843 1.00 0.00 C ATOM 874 CG ASP A 57 -8.234 -20.065 -5.052 1.00 0.00 C ATOM 875 OD1 ASP A 57 -8.807 -21.179 -4.960 1.00 0.00 O ATOM 876 OD2 ASP A 57 -7.676 -19.689 -6.110 1.00 0.00 O ATOM 0 H ASP A 57 -8.305 -17.994 -1.707 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.800 -20.674 -2.408 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.298 -18.947 -3.542 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.855 -18.147 -4.134 1.00 0.00 H new ATOM 881 N PHE A 58 -5.140 -18.818 -2.570 1.00 0.00 N ATOM 882 CA PHE A 58 -3.674 -18.879 -2.585 1.00 0.00 C ATOM 883 C PHE A 58 -3.092 -19.180 -1.189 1.00 0.00 C ATOM 884 O PHE A 58 -3.715 -18.916 -0.155 1.00 0.00 O ATOM 885 CB PHE A 58 -3.113 -17.558 -3.135 1.00 0.00 C ATOM 886 CG PHE A 58 -3.311 -17.376 -4.629 1.00 0.00 C ATOM 887 CD1 PHE A 58 -2.391 -17.945 -5.530 1.00 0.00 C ATOM 888 CD2 PHE A 58 -4.407 -16.640 -5.121 1.00 0.00 C ATOM 889 CE1 PHE A 58 -2.563 -17.781 -6.916 1.00 0.00 C ATOM 890 CE2 PHE A 58 -4.579 -16.477 -6.509 1.00 0.00 C ATOM 891 CZ PHE A 58 -3.658 -17.048 -7.406 1.00 0.00 C ATOM 0 H PHE A 58 -5.491 -17.936 -2.197 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.375 -19.701 -3.235 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.588 -16.728 -2.612 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -2.047 -17.507 -2.911 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.550 -18.510 -5.155 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.115 -16.201 -4.434 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.854 -18.218 -7.604 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.419 -15.913 -6.886 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.792 -16.923 -8.470 1.00 0.00 H new ATOM 901 N LEU A 59 -1.869 -19.721 -1.168 1.00 0.00 N ATOM 902 CA LEU A 59 -1.077 -20.005 0.039 1.00 0.00 C ATOM 903 C LEU A 59 -0.391 -18.729 0.602 1.00 0.00 C ATOM 904 O LEU A 59 -0.723 -17.607 0.215 1.00 0.00 O ATOM 905 CB LEU A 59 -0.087 -21.150 -0.283 1.00 0.00 C ATOM 906 CG LEU A 59 0.082 -22.148 0.879 1.00 0.00 C ATOM 907 CD1 LEU A 59 -1.089 -23.130 0.937 1.00 0.00 C ATOM 908 CD2 LEU A 59 1.366 -22.959 0.727 1.00 0.00 C ATOM 0 H LEU A 59 -1.382 -19.984 -2.025 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.733 -20.336 0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.435 -21.686 -1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.885 -20.723 -0.531 1.00 0.00 H new ATOM 0 HG LEU A 59 0.120 -21.558 1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.943 -23.822 1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.018 -22.580 1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.142 -23.689 0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.458 -23.654 1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.335 -23.517 -0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.223 -22.286 0.720 1.00 0.00 H new ATOM 920 N GLU A 60 0.547 -18.889 1.548 1.00 0.00 N ATOM 921 CA GLU A 60 1.263 -17.811 2.264 1.00 0.00 C ATOM 922 C GLU A 60 0.348 -16.841 3.056 1.00 0.00 C ATOM 923 O GLU A 60 0.732 -15.703 3.332 1.00 0.00 O ATOM 924 CB GLU A 60 2.264 -17.067 1.344 1.00 0.00 C ATOM 925 CG GLU A 60 3.437 -17.914 0.824 1.00 0.00 C ATOM 926 CD GLU A 60 3.106 -18.808 -0.387 1.00 0.00 C ATOM 927 OE1 GLU A 60 2.557 -18.311 -1.401 1.00 0.00 O ATOM 928 OE2 GLU A 60 3.461 -20.012 -0.358 1.00 0.00 O ATOM 0 H GLU A 60 0.844 -19.816 1.852 1.00 0.00 H new ATOM 0 HA GLU A 60 1.843 -18.321 3.033 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.718 -16.669 0.489 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.668 -16.214 1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.255 -17.247 0.552 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.798 -18.546 1.636 1.00 0.00 H new ATOM 935 N LYS A 61 -0.857 -17.273 3.466 1.00 0.00 N ATOM 936 CA LYS A 61 -1.837 -16.438 4.201 1.00 0.00 C ATOM 937 C LYS A 61 -1.311 -15.816 5.508 1.00 0.00 C ATOM 938 O LYS A 61 -1.788 -14.762 5.923 1.00 0.00 O ATOM 939 CB LYS A 61 -3.144 -17.218 4.431 1.00 0.00 C ATOM 940 CG LYS A 61 -3.039 -18.291 5.532 1.00 0.00 C ATOM 941 CD LYS A 61 -4.310 -19.143 5.674 1.00 0.00 C ATOM 942 CE LYS A 61 -5.600 -18.352 5.954 1.00 0.00 C ATOM 943 NZ LYS A 61 -5.576 -17.664 7.274 1.00 0.00 N ATOM 0 H LYS A 61 -1.187 -18.223 3.297 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.034 -15.582 3.556 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.934 -16.515 4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.441 -17.696 3.497 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.194 -18.945 5.313 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.828 -17.805 6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.447 -19.718 4.758 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.160 -19.860 6.481 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.747 -17.613 5.166 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.453 -19.030 5.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.468 -17.147 7.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.464 -18.369 8.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.780 -16.995 7.303 1.00 0.00 H new ATOM 957 N ASP A 62 -0.298 -16.421 6.129 1.00 0.00 N ATOM 958 CA ASP A 62 0.428 -15.877 7.288 1.00 0.00 C ATOM 959 C ASP A 62 1.073 -14.508 6.994 1.00 0.00 C ATOM 960 O ASP A 62 1.095 -13.621 7.848 1.00 0.00 O ATOM 961 CB ASP A 62 1.496 -16.899 7.704 1.00 0.00 C ATOM 962 CG ASP A 62 2.297 -16.440 8.935 1.00 0.00 C ATOM 963 OD1 ASP A 62 1.757 -16.503 10.065 1.00 0.00 O ATOM 964 OD2 ASP A 62 3.477 -16.045 8.779 1.00 0.00 O ATOM 0 H ASP A 62 0.054 -17.332 5.834 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.282 -15.709 8.097 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.017 -17.854 7.921 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.179 -17.067 6.871 1.00 0.00 H new ATOM 969 N LEU A 63 1.556 -14.318 5.762 1.00 0.00 N ATOM 970 CA LEU A 63 2.161 -13.082 5.257 1.00 0.00 C ATOM 971 C LEU A 63 1.111 -12.030 4.848 1.00 0.00 C ATOM 972 O LEU A 63 1.421 -10.845 4.745 1.00 0.00 O ATOM 973 CB LEU A 63 3.054 -13.486 4.065 1.00 0.00 C ATOM 974 CG LEU A 63 4.142 -12.482 3.656 1.00 0.00 C ATOM 975 CD1 LEU A 63 5.177 -12.258 4.760 1.00 0.00 C ATOM 976 CD2 LEU A 63 4.872 -13.054 2.440 1.00 0.00 C ATOM 0 H LEU A 63 1.535 -15.056 5.058 1.00 0.00 H new ATOM 0 HA LEU A 63 2.745 -12.603 6.043 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.536 -14.434 4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.412 -13.665 3.202 1.00 0.00 H new ATOM 0 HG LEU A 63 3.659 -11.527 3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.923 -11.540 4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.681 -11.871 5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.665 -13.203 4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.653 -12.361 2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.321 -14.012 2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.163 -13.197 1.624 1.00 0.00 H new ATOM 988 N VAL A 64 -0.143 -12.439 4.639 1.00 0.00 N ATOM 989 CA VAL A 64 -1.260 -11.569 4.231 1.00 0.00 C ATOM 990 C VAL A 64 -1.861 -10.783 5.417 1.00 0.00 C ATOM 991 O VAL A 64 -2.467 -9.728 5.217 1.00 0.00 O ATOM 992 CB VAL A 64 -2.307 -12.402 3.455 1.00 0.00 C ATOM 993 CG1 VAL A 64 -3.517 -11.589 2.998 1.00 0.00 C ATOM 994 CG2 VAL A 64 -1.685 -13.007 2.186 1.00 0.00 C ATOM 0 H VAL A 64 -0.422 -13.414 4.751 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.879 -10.801 3.558 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.634 -13.167 4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -4.209 -12.237 2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -4.019 -11.163 3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.188 -10.785 2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.437 -13.589 1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.323 -12.206 1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.853 -13.655 2.462 1.00 0.00 H new ATOM 1004 N GLU A 65 -1.630 -11.213 6.663 1.00 0.00 N ATOM 1005 CA GLU A 65 -1.950 -10.438 7.877 1.00 0.00 C ATOM 1006 C GLU A 65 -1.187 -9.094 7.972 1.00 0.00 C ATOM 1007 O GLU A 65 -1.844 -8.052 7.995 1.00 0.00 O ATOM 1008 CB GLU A 65 -1.760 -11.284 9.150 1.00 0.00 C ATOM 1009 CG GLU A 65 -3.005 -12.115 9.477 1.00 0.00 C ATOM 1010 CD GLU A 65 -2.834 -12.874 10.808 1.00 0.00 C ATOM 1011 OE1 GLU A 65 -2.932 -12.242 11.890 1.00 0.00 O ATOM 1012 OE2 GLU A 65 -2.621 -14.109 10.788 1.00 0.00 O ATOM 0 H GLU A 65 -1.210 -12.121 6.864 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.005 -10.176 7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.905 -11.947 9.020 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.530 -10.629 9.990 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.876 -11.462 9.537 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.193 -12.825 8.672 1.00 0.00 H new ATOM 1019 N PRO A 66 0.163 -9.048 8.008 1.00 0.00 N ATOM 1020 CA PRO A 66 0.901 -7.779 8.042 1.00 0.00 C ATOM 1021 C PRO A 66 0.719 -6.934 6.767 1.00 0.00 C ATOM 1022 O PRO A 66 0.779 -5.704 6.831 1.00 0.00 O ATOM 1023 CB PRO A 66 2.369 -8.153 8.284 1.00 0.00 C ATOM 1024 CG PRO A 66 2.465 -9.599 7.803 1.00 0.00 C ATOM 1025 CD PRO A 66 1.084 -10.170 8.106 1.00 0.00 C ATOM 0 HA PRO A 66 0.516 -7.139 8.836 1.00 0.00 H new ATOM 0 HB2 PRO A 66 3.044 -7.502 7.728 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.635 -8.064 9.337 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.697 -9.653 6.739 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.249 -10.145 8.328 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.821 -10.955 7.397 1.00 0.00 H new ATOM 0 HD3 PRO A 66 1.054 -10.615 9.100 1.00 0.00 H new ATOM 1033 N LEU A 67 0.428 -7.564 5.622 1.00 0.00 N ATOM 1034 CA LEU A 67 0.145 -6.892 4.350 1.00 0.00 C ATOM 1035 C LEU A 67 -1.021 -5.892 4.449 1.00 0.00 C ATOM 1036 O LEU A 67 -0.880 -4.768 3.969 1.00 0.00 O ATOM 1037 CB LEU A 67 -0.073 -7.964 3.268 1.00 0.00 C ATOM 1038 CG LEU A 67 -0.281 -7.404 1.845 1.00 0.00 C ATOM 1039 CD1 LEU A 67 0.657 -8.082 0.848 1.00 0.00 C ATOM 1040 CD2 LEU A 67 -1.714 -7.643 1.371 1.00 0.00 C ATOM 0 H LEU A 67 0.382 -8.581 5.554 1.00 0.00 H new ATOM 0 HA LEU A 67 1.002 -6.279 4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.787 -8.633 3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.941 -8.564 3.539 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.071 -6.335 1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.490 -7.669 -0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.691 -7.907 1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.460 -9.154 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.837 -7.240 0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.920 -8.713 1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.409 -7.147 2.048 1.00 0.00 H new ATOM 1052 N CYS A 68 -2.146 -6.241 5.088 1.00 0.00 N ATOM 1053 CA CYS A 68 -3.288 -5.319 5.188 1.00 0.00 C ATOM 1054 C CYS A 68 -2.969 -4.038 5.986 1.00 0.00 C ATOM 1055 O CYS A 68 -3.464 -2.964 5.631 1.00 0.00 O ATOM 1056 CB CYS A 68 -4.541 -6.047 5.706 1.00 0.00 C ATOM 1057 SG CYS A 68 -4.507 -6.331 7.502 1.00 0.00 S ATOM 0 H CYS A 68 -2.290 -7.144 5.539 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.505 -4.973 4.178 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.425 -5.462 5.453 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.636 -7.005 5.194 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.444 -7.012 7.814 1.00 0.00 H new ATOM 1063 N ARG A 69 -2.098 -4.118 7.008 1.00 0.00 N ATOM 1064 CA ARG A 69 -1.557 -2.941 7.714 1.00 0.00 C ATOM 1065 C ARG A 69 -0.763 -2.057 6.754 1.00 0.00 C ATOM 1066 O ARG A 69 -1.103 -0.885 6.609 1.00 0.00 O ATOM 1067 CB ARG A 69 -0.704 -3.326 8.937 1.00 0.00 C ATOM 1068 CG ARG A 69 -1.527 -3.951 10.073 1.00 0.00 C ATOM 1069 CD ARG A 69 -0.665 -4.073 11.338 1.00 0.00 C ATOM 1070 NE ARG A 69 -1.428 -4.629 12.473 1.00 0.00 N ATOM 1071 CZ ARG A 69 -1.084 -4.616 13.751 1.00 0.00 C ATOM 1072 NH1 ARG A 69 0.032 -4.081 14.164 1.00 0.00 N ATOM 1073 NH2 ARG A 69 -1.863 -5.146 14.652 1.00 0.00 N ATOM 0 H ARG A 69 -1.748 -5.005 7.370 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.409 -2.376 8.091 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.069 -4.029 8.627 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.195 -2.438 9.311 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.404 -3.337 10.278 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.889 -4.934 9.773 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.195 -4.711 11.131 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.276 -3.091 11.608 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.319 -5.072 12.247 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.672 -3.655 13.494 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.265 -4.089 15.157 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.746 -5.575 14.374 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.590 -5.131 15.635 1.00 0.00 H new ATOM 1087 N ARG A 70 0.242 -2.613 6.062 1.00 0.00 N ATOM 1088 CA ARG A 70 1.080 -1.878 5.091 1.00 0.00 C ATOM 1089 C ARG A 70 0.272 -1.245 3.951 1.00 0.00 C ATOM 1090 O ARG A 70 0.567 -0.118 3.557 1.00 0.00 O ATOM 1091 CB ARG A 70 2.198 -2.773 4.526 1.00 0.00 C ATOM 1092 CG ARG A 70 3.183 -3.366 5.550 1.00 0.00 C ATOM 1093 CD ARG A 70 3.622 -2.413 6.671 1.00 0.00 C ATOM 1094 NE ARG A 70 4.851 -2.902 7.328 1.00 0.00 N ATOM 1095 CZ ARG A 70 5.550 -2.294 8.268 1.00 0.00 C ATOM 1096 NH1 ARG A 70 5.184 -1.152 8.773 1.00 0.00 N ATOM 1097 NH2 ARG A 70 6.642 -2.834 8.728 1.00 0.00 N ATOM 0 H ARG A 70 0.502 -3.595 6.158 1.00 0.00 H new ATOM 0 HA ARG A 70 1.532 -1.058 5.649 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.735 -3.596 3.981 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.768 -2.192 3.801 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.724 -4.245 6.003 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.071 -3.708 5.018 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.795 -1.418 6.261 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.824 -2.319 7.407 1.00 0.00 H new ATOM 0 HE ARG A 70 5.198 -3.811 7.021 1.00 0.00 H new ATOM 0 HH11 ARG A 70 4.332 -0.698 8.443 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.749 -0.711 9.499 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.961 -3.731 8.362 1.00 0.00 H new ATOM 0 HH22 ARG A 70 7.179 -2.360 9.454 1.00 0.00 H new ATOM 1111 N LEU A 71 -0.770 -1.919 3.456 1.00 0.00 N ATOM 1112 CA LEU A 71 -1.732 -1.339 2.510 1.00 0.00 C ATOM 1113 C LEU A 71 -2.439 -0.105 3.103 1.00 0.00 C ATOM 1114 O LEU A 71 -2.430 0.966 2.494 1.00 0.00 O ATOM 1115 CB LEU A 71 -2.742 -2.396 2.021 1.00 0.00 C ATOM 1116 CG LEU A 71 -2.182 -3.490 1.088 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -3.311 -4.448 0.705 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -1.589 -2.938 -0.209 1.00 0.00 C ATOM 0 H LEU A 71 -0.972 -2.888 3.701 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.171 -0.997 1.640 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.181 -2.881 2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.551 -1.883 1.501 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.384 -3.986 1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.922 -5.224 0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.719 -4.908 1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.098 -3.896 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.214 -3.761 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.360 -2.400 -0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.770 -2.258 0.026 1.00 0.00 H new ATOM 1130 N ASN A 72 -3.007 -0.220 4.308 1.00 0.00 N ATOM 1131 CA ASN A 72 -3.649 0.903 4.998 1.00 0.00 C ATOM 1132 C ASN A 72 -2.680 2.062 5.341 1.00 0.00 C ATOM 1133 O ASN A 72 -3.113 3.212 5.431 1.00 0.00 O ATOM 1134 CB ASN A 72 -4.379 0.382 6.244 1.00 0.00 C ATOM 1135 CG ASN A 72 -5.300 1.442 6.832 1.00 0.00 C ATOM 1136 OD1 ASN A 72 -6.271 1.860 6.216 1.00 0.00 O ATOM 1137 ND2 ASN A 72 -5.032 1.918 8.027 1.00 0.00 N ATOM 0 H ASN A 72 -3.034 -1.095 4.832 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.370 1.341 4.308 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -4.960 -0.503 5.984 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -3.649 0.075 6.993 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.632 2.633 8.438 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.224 1.572 8.544 1.00 0.00 H new ATOM 1144 N THR A 73 -1.375 1.800 5.488 1.00 0.00 N ATOM 1145 CA THR A 73 -0.346 2.832 5.710 1.00 0.00 C ATOM 1146 C THR A 73 -0.290 3.847 4.561 1.00 0.00 C ATOM 1147 O THR A 73 -0.434 5.048 4.796 1.00 0.00 O ATOM 1148 CB THR A 73 1.050 2.218 5.931 1.00 0.00 C ATOM 1149 OG1 THR A 73 1.026 1.203 6.912 1.00 0.00 O ATOM 1150 CG2 THR A 73 2.050 3.257 6.423 1.00 0.00 C ATOM 0 H THR A 73 -0.996 0.854 5.456 1.00 0.00 H new ATOM 0 HA THR A 73 -0.640 3.357 6.619 1.00 0.00 H new ATOM 0 HB THR A 73 1.346 1.817 4.961 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.406 0.496 6.636 1.00 0.00 H new ATOM 0 HG21 THR A 73 3.022 2.786 6.567 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.139 4.054 5.685 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.705 3.675 7.369 1.00 0.00 H new ATOM 1158 N LEU A 74 -0.104 3.391 3.314 1.00 0.00 N ATOM 1159 CA LEU A 74 -0.034 4.282 2.144 1.00 0.00 C ATOM 1160 C LEU A 74 -1.380 4.938 1.801 1.00 0.00 C ATOM 1161 O LEU A 74 -1.380 6.025 1.222 1.00 0.00 O ATOM 1162 CB LEU A 74 0.508 3.537 0.907 1.00 0.00 C ATOM 1163 CG LEU A 74 2.024 3.272 0.817 1.00 0.00 C ATOM 1164 CD1 LEU A 74 2.872 4.532 0.995 1.00 0.00 C ATOM 1165 CD2 LEU A 74 2.520 2.244 1.828 1.00 0.00 C ATOM 0 H LEU A 74 0.002 2.402 3.088 1.00 0.00 H new ATOM 0 HA LEU A 74 0.656 5.079 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.001 2.575 0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.217 4.105 0.023 1.00 0.00 H new ATOM 0 HG LEU A 74 2.149 2.884 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.928 4.273 0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.619 5.253 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.674 4.969 1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.595 2.106 1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.309 2.596 2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.012 1.294 1.661 1.00 0.00 H new ATOM 1177 N ASN A 75 -2.519 4.346 2.195 1.00 0.00 N ATOM 1178 CA ASN A 75 -3.847 4.946 1.996 1.00 0.00 C ATOM 1179 C ASN A 75 -3.960 6.366 2.582 1.00 0.00 C ATOM 1180 O ASN A 75 -4.665 7.194 2.005 1.00 0.00 O ATOM 1181 CB ASN A 75 -4.961 4.052 2.575 1.00 0.00 C ATOM 1182 CG ASN A 75 -5.313 2.837 1.736 1.00 0.00 C ATOM 1183 OD1 ASN A 75 -4.728 2.537 0.707 1.00 0.00 O ATOM 1184 ND2 ASN A 75 -6.334 2.117 2.140 1.00 0.00 N ATOM 0 H ASN A 75 -2.545 3.439 2.660 1.00 0.00 H new ATOM 0 HA ASN A 75 -3.976 5.026 0.917 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -4.656 3.714 3.566 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -5.859 4.656 2.706 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.636 1.310 1.595 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.825 2.365 2.999 1.00 0.00 H new ATOM 1191 N LYS A 76 -3.236 6.678 3.667 1.00 0.00 N ATOM 1192 CA LYS A 76 -3.155 8.025 4.264 1.00 0.00 C ATOM 1193 C LYS A 76 -2.816 9.095 3.215 1.00 0.00 C ATOM 1194 O LYS A 76 -3.528 10.091 3.084 1.00 0.00 O ATOM 1195 CB LYS A 76 -2.126 8.010 5.409 1.00 0.00 C ATOM 1196 CG LYS A 76 -2.164 9.309 6.231 1.00 0.00 C ATOM 1197 CD LYS A 76 -0.942 9.433 7.148 1.00 0.00 C ATOM 1198 CE LYS A 76 -1.061 10.722 7.970 1.00 0.00 C ATOM 1199 NZ LYS A 76 0.203 11.036 8.679 1.00 0.00 N ATOM 0 H LYS A 76 -2.677 5.987 4.167 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.133 8.290 4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.323 7.161 6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.127 7.870 4.997 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.203 10.165 5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.074 9.334 6.831 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.879 8.569 7.810 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.027 9.448 6.556 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.326 11.550 7.313 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.869 10.619 8.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.019 11.111 9.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.895 10.279 8.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.582 11.939 8.329 1.00 0.00 H new ATOM 1213 N CYS A 77 -1.736 8.874 2.462 1.00 0.00 N ATOM 1214 CA CYS A 77 -1.257 9.781 1.416 1.00 0.00 C ATOM 1215 C CYS A 77 -1.966 9.567 0.065 1.00 0.00 C ATOM 1216 O CYS A 77 -2.236 10.540 -0.634 1.00 0.00 O ATOM 1217 CB CYS A 77 0.263 9.616 1.279 1.00 0.00 C ATOM 1218 SG CYS A 77 1.089 10.161 2.805 1.00 0.00 S ATOM 0 H CYS A 77 -1.157 8.041 2.565 1.00 0.00 H new ATOM 0 HA CYS A 77 -1.497 10.802 1.713 1.00 0.00 H new ATOM 0 HB2 CYS A 77 0.507 8.573 1.076 1.00 0.00 H new ATOM 0 HB3 CYS A 77 0.625 10.198 0.432 1.00 0.00 H new ATOM 0 HG CYS A 77 2.375 10.015 2.679 1.00 0.00 H new ATOM 1224 N ALA A 78 -2.304 8.322 -0.298 1.00 0.00 N ATOM 1225 CA ALA A 78 -2.982 7.989 -1.559 1.00 0.00 C ATOM 1226 C ALA A 78 -4.450 8.472 -1.628 1.00 0.00 C ATOM 1227 O ALA A 78 -4.968 8.726 -2.717 1.00 0.00 O ATOM 1228 CB ALA A 78 -2.889 6.473 -1.778 1.00 0.00 C ATOM 0 H ALA A 78 -2.112 7.507 0.284 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.472 8.525 -2.359 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.388 6.209 -2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.841 6.177 -1.830 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.372 5.955 -0.949 1.00 0.00 H new ATOM 1234 N SER A 79 -5.128 8.623 -0.482 1.00 0.00 N ATOM 1235 CA SER A 79 -6.477 9.205 -0.394 1.00 0.00 C ATOM 1236 C SER A 79 -6.500 10.695 -0.780 1.00 0.00 C ATOM 1237 O SER A 79 -7.424 11.156 -1.455 1.00 0.00 O ATOM 1238 CB SER A 79 -7.030 9.020 1.027 1.00 0.00 C ATOM 1239 OG SER A 79 -8.370 9.472 1.127 1.00 0.00 O ATOM 0 H SER A 79 -4.751 8.341 0.423 1.00 0.00 H new ATOM 0 HA SER A 79 -7.108 8.678 -1.110 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.979 7.967 1.304 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.407 9.567 1.735 1.00 0.00 H new ATOM 0 HG SER A 79 -8.693 9.339 2.043 1.00 0.00 H new ATOM 1245 N MET A 80 -5.464 11.449 -0.390 1.00 0.00 N ATOM 1246 CA MET A 80 -5.242 12.842 -0.798 1.00 0.00 C ATOM 1247 C MET A 80 -4.802 12.934 -2.276 1.00 0.00 C ATOM 1248 O MET A 80 -4.116 12.043 -2.788 1.00 0.00 O ATOM 1249 CB MET A 80 -4.199 13.460 0.151 1.00 0.00 C ATOM 1250 CG MET A 80 -4.098 14.982 0.028 1.00 0.00 C ATOM 1251 SD MET A 80 -3.005 15.737 1.263 1.00 0.00 S ATOM 1252 CE MET A 80 -3.202 17.483 0.813 1.00 0.00 C ATOM 0 H MET A 80 -4.738 11.098 0.234 1.00 0.00 H new ATOM 0 HA MET A 80 -6.174 13.402 -0.726 1.00 0.00 H new ATOM 0 HB2 MET A 80 -4.454 13.201 1.179 1.00 0.00 H new ATOM 0 HB3 MET A 80 -3.223 13.020 -0.056 1.00 0.00 H new ATOM 0 HG2 MET A 80 -3.736 15.235 -0.969 1.00 0.00 H new ATOM 0 HG3 MET A 80 -5.094 15.413 0.124 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.595 18.100 1.475 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.880 17.632 -0.218 1.00 0.00 H new ATOM 0 HE3 MET A 80 -4.250 17.768 0.911 1.00 0.00 H new ATOM 1262 N LYS A 81 -5.193 14.013 -2.970 1.00 0.00 N ATOM 1263 CA LYS A 81 -4.807 14.295 -4.368 1.00 0.00 C ATOM 1264 C LYS A 81 -3.297 14.532 -4.560 1.00 0.00 C ATOM 1265 O LYS A 81 -2.644 15.109 -3.659 1.00 0.00 O ATOM 1266 CB LYS A 81 -5.661 15.438 -4.948 1.00 0.00 C ATOM 1267 CG LYS A 81 -5.432 16.813 -4.296 1.00 0.00 C ATOM 1268 CD LYS A 81 -6.355 17.865 -4.925 1.00 0.00 C ATOM 1269 CE LYS A 81 -6.108 19.238 -4.289 1.00 0.00 C ATOM 1270 NZ LYS A 81 -7.005 20.274 -4.866 1.00 0.00 N ATOM 1271 OXT LYS A 81 -2.777 14.142 -5.631 1.00 0.00 O ATOM 0 H LYS A 81 -5.798 14.730 -2.571 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.018 13.391 -4.939 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.456 15.520 -6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.714 15.174 -4.845 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.620 16.750 -3.224 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.391 17.112 -4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.179 17.917 -5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.396 17.574 -4.786 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.267 19.176 -3.213 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.069 19.529 -4.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.812 21.191 -4.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.835 20.350 -5.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.996 20.007 -4.699 1.00 0.00 H new TER 1285 LYS A 81