USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 981 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 112 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 116 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.42) USER MOD Set 2.1: A 55 CYS SG : rot -5:sc= 0.509 USER MOD Set 2.2: A 69 HIS : no HD1:sc= -1.54 K(o=-1,f=-1.6!) USER MOD Set 3.1: A 26 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 27 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 16 HIS : no HD1:sc= -1.4 X(o=-2.8,f=-2.4!) USER MOD Set 4.2: A 18 HIS : no HD1:sc= -1.36 X(o=-2.8,f=-2.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= -0.41 (180deg=-0.627) USER MOD Single : A 2 LYS NZ :NH3+ -126:sc= -0.113 (180deg=-1.34!) USER MOD Single : A 4 HIS :FLIP no HD1:sc= -0.0757 F(o=-0.61,f=-0.076) USER MOD Single : A 7 HIS : no HD1:sc= -0.0215 X(o=-0.022,f=-0.14) USER MOD Single : A 8 ASN :FLIP amide:sc= -0.254 F(o=-0.97,f=-0.25) USER MOD Single : A 10 HIS : no HD1:sc= -0.267 X(o=-0.27,f=-0.045) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.192 X(o=-0.19,f=-0.015) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.94 K(o=-1.9,f=-2.8) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.8!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -55:sc= 0.295 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.0215 USER MOD Single : A 42 MET CE :methyl -126:sc= -4.01 (180deg=-6.23!) USER MOD Single : A 43 MET CE :methyl -171:sc= -4.26 (180deg=-4.36) USER MOD Single : A 48 LYS NZ :NH3+ -141:sc= 0.177 (180deg=-0.00487) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc=-0.00646 K(o=-0.0065,f=-1.5) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.583 K(o=0.58,f=-0.33) USER MOD Single : A 67 CYS SG : rot 50:sc= -0.701 USER MOD Single : A 73 HIS :FLIP no HE2:sc= -1.85! C(o=-3.6!,f=-1.9!) USER MOD Single : A 76 ASN : amide:sc= -1.02 K(o=-1,f=-3.5!) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN :FLIP amide:sc= -3.7! C(o=-7.9!,f=-3.7!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 12:sc= 0.749 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= -0.141 USER MOD Single : A 108 LYS NZ :NH3+ 160:sc= -0.0334 (180deg=-0.223) USER MOD Single : A 109 ASN :FLIP amide:sc= -1.69 F(o=-4.7!,f=-1.7) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= -0.903 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot -140:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.607 -2.333 -69.618 1.00 0.00 N ATOM 2 CA MET A 1 12.453 -3.077 -70.111 1.00 0.00 C ATOM 3 C MET A 1 12.567 -4.556 -69.754 1.00 0.00 C ATOM 4 O MET A 1 11.575 -5.202 -69.417 1.00 0.00 O ATOM 5 CB MET A 1 12.325 -2.915 -71.627 1.00 0.00 C ATOM 6 CG MET A 1 13.483 -3.521 -72.404 1.00 0.00 C ATOM 7 SD MET A 1 13.197 -5.246 -72.844 1.00 0.00 S ATOM 8 CE MET A 1 13.331 -5.167 -74.628 1.00 0.00 C ATOM 0 H1 MET A 1 13.285 -1.565 -68.995 1.00 0.00 H new ATOM 0 H2 MET A 1 14.231 -2.973 -69.085 1.00 0.00 H new ATOM 0 H3 MET A 1 14.130 -1.930 -70.422 1.00 0.00 H new ATOM 0 HA MET A 1 11.560 -2.674 -69.633 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.395 -3.379 -71.956 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.254 -1.854 -71.866 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.649 -2.941 -73.312 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.393 -3.448 -71.808 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.177 -6.161 -75.049 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.575 -4.486 -75.020 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.322 -4.806 -74.903 1.00 0.00 H new ATOM 18 N LYS A 2 13.783 -5.086 -69.830 1.00 0.00 N ATOM 19 CA LYS A 2 14.028 -6.488 -69.515 1.00 0.00 C ATOM 20 C LYS A 2 13.622 -6.801 -68.078 1.00 0.00 C ATOM 21 O LYS A 2 13.685 -5.937 -67.203 1.00 0.00 O ATOM 22 CB LYS A 2 15.505 -6.829 -69.724 1.00 0.00 C ATOM 23 CG LYS A 2 15.847 -7.195 -71.158 1.00 0.00 C ATOM 24 CD LYS A 2 17.294 -7.643 -71.289 1.00 0.00 C ATOM 25 CE LYS A 2 17.453 -9.118 -70.954 1.00 0.00 C ATOM 26 NZ LYS A 2 17.731 -9.331 -69.506 1.00 0.00 N ATOM 0 H LYS A 2 14.615 -4.565 -70.107 1.00 0.00 H new ATOM 0 HA LYS A 2 13.423 -7.097 -70.187 1.00 0.00 H new ATOM 0 HB2 LYS A 2 16.113 -5.976 -69.421 1.00 0.00 H new ATOM 0 HB3 LYS A 2 15.773 -7.660 -69.072 1.00 0.00 H new ATOM 0 HG2 LYS A 2 15.186 -7.992 -71.499 1.00 0.00 H new ATOM 0 HG3 LYS A 2 15.671 -6.336 -71.806 1.00 0.00 H new ATOM 0 HD2 LYS A 2 17.642 -7.460 -72.306 1.00 0.00 H new ATOM 0 HD3 LYS A 2 17.922 -7.048 -70.625 1.00 0.00 H new ATOM 0 HE2 LYS A 2 16.545 -9.654 -71.232 1.00 0.00 H new ATOM 0 HE3 LYS A 2 18.266 -9.539 -71.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 18.596 -9.898 -69.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 17.859 -8.411 -69.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 16.932 -9.833 -69.069 1.00 0.00 H new ATOM 40 N ASP A 3 13.207 -8.041 -67.842 1.00 0.00 N ATOM 41 CA ASP A 3 12.793 -8.468 -66.511 1.00 0.00 C ATOM 42 C ASP A 3 13.347 -9.853 -66.188 1.00 0.00 C ATOM 43 O ASP A 3 13.845 -10.554 -67.069 1.00 0.00 O ATOM 44 CB ASP A 3 11.267 -8.479 -66.406 1.00 0.00 C ATOM 45 CG ASP A 3 10.625 -9.423 -67.404 1.00 0.00 C ATOM 46 OD1 ASP A 3 10.600 -9.088 -68.606 1.00 0.00 O ATOM 47 OD2 ASP A 3 10.147 -10.497 -66.982 1.00 0.00 O ATOM 0 H ASP A 3 13.148 -8.768 -68.555 1.00 0.00 H new ATOM 0 HA ASP A 3 13.194 -7.758 -65.788 1.00 0.00 H new ATOM 0 HB2 ASP A 3 10.977 -8.770 -65.396 1.00 0.00 H new ATOM 0 HB3 ASP A 3 10.887 -7.470 -66.568 1.00 0.00 H new ATOM 52 N HIS A 4 13.257 -10.239 -64.919 1.00 0.00 N ATOM 53 CA HIS A 4 13.750 -11.540 -64.480 1.00 0.00 C ATOM 54 C HIS A 4 13.291 -11.842 -63.056 1.00 0.00 C ATOM 55 O HIS A 4 12.739 -10.977 -62.374 1.00 0.00 O ATOM 56 CB HIS A 4 15.277 -11.583 -64.556 1.00 0.00 C ATOM 57 CG HIS A 4 15.947 -10.523 -63.737 1.00 0.00 C ATOM 58 ND1 HIS A 4 15.952 -10.308 -62.400 1.00 0.00 N flip ATOM 59 CD2 HIS A 4 16.725 -9.526 -64.287 1.00 0.00 C flip ATOM 60 CE1 HIS A 4 16.725 -9.197 -62.169 1.00 0.00 C flip ATOM 61 NE2 HIS A 4 17.180 -8.745 -63.324 1.00 0.00 N flip ATOM 0 H HIS A 4 12.848 -9.670 -64.178 1.00 0.00 H new ATOM 0 HA HIS A 4 13.339 -12.300 -65.145 1.00 0.00 H new ATOM 0 HB2 HIS A 4 15.622 -12.561 -64.221 1.00 0.00 H new ATOM 0 HB3 HIS A 4 15.584 -11.475 -65.596 1.00 0.00 H new ATOM 0 HD2 HIS A 4 16.930 -9.403 -65.340 1.00 0.00 H new ATOM 0 HE1 HIS A 4 16.928 -8.763 -61.201 1.00 0.00 H new ATOM 0 HE2 HIS A 4 17.781 -7.931 -63.451 1.00 0.00 H new ATOM 70 N LEU A 5 13.523 -13.073 -62.614 1.00 0.00 N ATOM 71 CA LEU A 5 13.133 -13.490 -61.272 1.00 0.00 C ATOM 72 C LEU A 5 14.328 -14.046 -60.505 1.00 0.00 C ATOM 73 O LEU A 5 15.282 -14.547 -61.102 1.00 0.00 O ATOM 74 CB LEU A 5 12.025 -14.542 -61.345 1.00 0.00 C ATOM 75 CG LEU A 5 12.204 -15.633 -62.401 1.00 0.00 C ATOM 76 CD1 LEU A 5 11.915 -15.084 -63.790 1.00 0.00 C ATOM 77 CD2 LEU A 5 13.609 -16.213 -62.336 1.00 0.00 C ATOM 0 H LEU A 5 13.979 -13.800 -63.165 1.00 0.00 H new ATOM 0 HA LEU A 5 12.760 -12.614 -60.741 1.00 0.00 H new ATOM 0 HB2 LEU A 5 11.940 -15.020 -60.369 1.00 0.00 H new ATOM 0 HB3 LEU A 5 11.080 -14.033 -61.534 1.00 0.00 H new ATOM 0 HG LEU A 5 11.493 -16.433 -62.194 1.00 0.00 H new ATOM 0 HD11 LEU A 5 12.048 -15.875 -64.529 1.00 0.00 H new ATOM 0 HD12 LEU A 5 10.889 -14.718 -63.830 1.00 0.00 H new ATOM 0 HD13 LEU A 5 12.601 -14.265 -64.008 1.00 0.00 H new ATOM 0 HD21 LEU A 5 13.718 -16.988 -63.095 1.00 0.00 H new ATOM 0 HD22 LEU A 5 14.338 -15.423 -62.517 1.00 0.00 H new ATOM 0 HD23 LEU A 5 13.779 -16.644 -61.350 1.00 0.00 H new ATOM 89 N ILE A 6 14.269 -13.956 -59.181 1.00 0.00 N ATOM 90 CA ILE A 6 15.346 -14.454 -58.333 1.00 0.00 C ATOM 91 C ILE A 6 14.821 -15.455 -57.310 1.00 0.00 C ATOM 92 O ILE A 6 13.784 -15.235 -56.684 1.00 0.00 O ATOM 93 CB ILE A 6 16.056 -13.305 -57.593 1.00 0.00 C ATOM 94 CG1 ILE A 6 16.707 -12.349 -58.595 1.00 0.00 C ATOM 95 CG2 ILE A 6 17.096 -13.859 -56.630 1.00 0.00 C ATOM 96 CD1 ILE A 6 17.802 -12.990 -59.419 1.00 0.00 C ATOM 0 H ILE A 6 13.487 -13.543 -58.672 1.00 0.00 H new ATOM 0 HA ILE A 6 16.062 -14.950 -58.989 1.00 0.00 H new ATOM 0 HB ILE A 6 15.315 -12.750 -57.018 1.00 0.00 H new ATOM 0 HG12 ILE A 6 15.940 -11.960 -59.265 1.00 0.00 H new ATOM 0 HG13 ILE A 6 17.121 -11.497 -58.056 1.00 0.00 H new ATOM 0 HG21 ILE A 6 17.590 -13.035 -56.114 1.00 0.00 H new ATOM 0 HG22 ILE A 6 16.608 -14.504 -55.899 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.836 -14.435 -57.186 1.00 0.00 H new ATOM 0 HD11 ILE A 6 18.218 -12.254 -60.107 1.00 0.00 H new ATOM 0 HD12 ILE A 6 18.589 -13.354 -58.758 1.00 0.00 H new ATOM 0 HD13 ILE A 6 17.389 -13.824 -59.986 1.00 0.00 H new ATOM 108 N HIS A 7 15.546 -16.557 -57.142 1.00 0.00 N ATOM 109 CA HIS A 7 15.156 -17.592 -56.192 1.00 0.00 C ATOM 110 C HIS A 7 15.559 -17.206 -54.772 1.00 0.00 C ATOM 111 O HIS A 7 16.591 -16.572 -54.560 1.00 0.00 O ATOM 112 CB HIS A 7 15.795 -18.929 -56.571 1.00 0.00 C ATOM 113 CG HIS A 7 15.233 -19.528 -57.823 1.00 0.00 C ATOM 114 ND1 HIS A 7 13.886 -19.524 -58.121 1.00 0.00 N ATOM 115 CD2 HIS A 7 15.844 -20.151 -58.858 1.00 0.00 C ATOM 116 CE1 HIS A 7 13.693 -20.120 -59.284 1.00 0.00 C ATOM 117 NE2 HIS A 7 14.865 -20.509 -59.752 1.00 0.00 N ATOM 0 H HIS A 7 16.407 -16.756 -57.652 1.00 0.00 H new ATOM 0 HA HIS A 7 14.071 -17.693 -56.228 1.00 0.00 H new ATOM 0 HB2 HIS A 7 16.868 -18.787 -56.696 1.00 0.00 H new ATOM 0 HB3 HIS A 7 15.660 -19.632 -55.749 1.00 0.00 H new ATOM 0 HD2 HIS A 7 16.904 -20.333 -58.961 1.00 0.00 H new ATOM 0 HE1 HIS A 7 12.739 -20.265 -59.769 1.00 0.00 H new ATOM 0 HE2 HIS A 7 15.018 -20.997 -60.635 1.00 0.00 H new ATOM 126 N ASN A 8 14.736 -17.593 -53.803 1.00 0.00 N ATOM 127 CA ASN A 8 15.006 -17.286 -52.403 1.00 0.00 C ATOM 128 C ASN A 8 14.937 -18.547 -51.547 1.00 0.00 C ATOM 129 O ASN A 8 14.357 -19.555 -51.951 1.00 0.00 O ATOM 130 CB ASN A 8 14.007 -16.250 -51.885 1.00 0.00 C ATOM 131 CG ASN A 8 12.616 -16.827 -51.703 1.00 0.00 C ATOM 132 OD1 ASN A 8 12.408 -17.530 -50.597 1.00 0.00 O flip ATOM 133 ND2 ASN A 8 11.740 -16.642 -52.548 1.00 0.00 N flip ATOM 0 H ASN A 8 13.877 -18.120 -53.961 1.00 0.00 H new ATOM 0 HA ASN A 8 16.014 -16.876 -52.334 1.00 0.00 H new ATOM 0 HB2 ASN A 8 14.360 -15.853 -50.933 1.00 0.00 H new ATOM 0 HB3 ASN A 8 13.962 -15.413 -52.582 1.00 0.00 H new ATOM 0 HD21 ASN A 8 11.945 -16.094 -53.384 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.809 -17.036 -52.412 1.00 0.00 H new ATOM 140 N VAL A 9 15.534 -18.484 -50.360 1.00 0.00 N ATOM 141 CA VAL A 9 15.539 -19.619 -49.446 1.00 0.00 C ATOM 142 C VAL A 9 15.361 -19.163 -48.002 1.00 0.00 C ATOM 143 O VAL A 9 16.265 -18.573 -47.410 1.00 0.00 O ATOM 144 CB VAL A 9 16.847 -20.425 -49.560 1.00 0.00 C ATOM 145 CG1 VAL A 9 16.961 -21.066 -50.934 1.00 0.00 C ATOM 146 CG2 VAL A 9 18.048 -19.535 -49.276 1.00 0.00 C ATOM 0 H VAL A 9 16.020 -17.658 -50.010 1.00 0.00 H new ATOM 0 HA VAL A 9 14.701 -20.257 -49.729 1.00 0.00 H new ATOM 0 HB VAL A 9 16.829 -21.220 -48.815 1.00 0.00 H new ATOM 0 HG11 VAL A 9 17.891 -21.631 -50.996 1.00 0.00 H new ATOM 0 HG12 VAL A 9 16.117 -21.737 -51.093 1.00 0.00 H new ATOM 0 HG13 VAL A 9 16.957 -20.290 -51.699 1.00 0.00 H new ATOM 0 HG21 VAL A 9 18.963 -20.121 -49.361 1.00 0.00 H new ATOM 0 HG22 VAL A 9 18.073 -18.717 -49.996 1.00 0.00 H new ATOM 0 HG23 VAL A 9 17.970 -19.129 -48.268 1.00 0.00 H new ATOM 156 N HIS A 10 14.188 -19.440 -47.440 1.00 0.00 N ATOM 157 CA HIS A 10 13.891 -19.058 -46.064 1.00 0.00 C ATOM 158 C HIS A 10 14.074 -20.243 -45.120 1.00 0.00 C ATOM 159 O HIS A 10 13.677 -21.366 -45.432 1.00 0.00 O ATOM 160 CB HIS A 10 12.462 -18.523 -45.958 1.00 0.00 C ATOM 161 CG HIS A 10 12.356 -17.048 -46.191 1.00 0.00 C ATOM 162 ND1 HIS A 10 11.286 -16.462 -46.834 1.00 0.00 N ATOM 163 CD2 HIS A 10 13.194 -16.037 -45.862 1.00 0.00 C ATOM 164 CE1 HIS A 10 11.471 -15.155 -46.892 1.00 0.00 C ATOM 165 NE2 HIS A 10 12.622 -14.871 -46.308 1.00 0.00 N ATOM 0 H HIS A 10 13.429 -19.927 -47.916 1.00 0.00 H new ATOM 0 HA HIS A 10 14.588 -18.272 -45.772 1.00 0.00 H new ATOM 0 HB2 HIS A 10 11.834 -19.043 -46.681 1.00 0.00 H new ATOM 0 HB3 HIS A 10 12.068 -18.755 -44.969 1.00 0.00 H new ATOM 0 HD2 HIS A 10 14.137 -16.130 -45.345 1.00 0.00 H new ATOM 0 HE1 HIS A 10 10.797 -14.441 -47.340 1.00 0.00 H new ATOM 0 HE2 HIS A 10 13.021 -13.938 -46.205 1.00 0.00 H new ATOM 174 N LYS A 11 14.679 -19.985 -43.966 1.00 0.00 N ATOM 175 CA LYS A 11 14.915 -21.029 -42.975 1.00 0.00 C ATOM 176 C LYS A 11 14.555 -20.542 -41.575 1.00 0.00 C ATOM 177 O LYS A 11 14.369 -19.346 -41.354 1.00 0.00 O ATOM 178 CB LYS A 11 16.379 -21.473 -43.012 1.00 0.00 C ATOM 179 CG LYS A 11 16.757 -22.218 -44.280 1.00 0.00 C ATOM 180 CD LYS A 11 16.177 -23.622 -44.296 1.00 0.00 C ATOM 181 CE LYS A 11 16.992 -24.573 -43.433 1.00 0.00 C ATOM 182 NZ LYS A 11 16.402 -25.939 -43.402 1.00 0.00 N ATOM 0 H LYS A 11 15.015 -19.061 -43.693 1.00 0.00 H new ATOM 0 HA LYS A 11 14.277 -21.879 -43.219 1.00 0.00 H new ATOM 0 HB2 LYS A 11 17.018 -20.596 -42.912 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.578 -22.113 -42.152 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.398 -21.665 -45.148 1.00 0.00 H new ATOM 0 HG3 LYS A 11 17.843 -22.271 -44.362 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.148 -23.596 -43.938 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.148 -23.993 -45.320 1.00 0.00 H new ATOM 0 HE2 LYS A 11 18.011 -24.627 -43.815 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.052 -24.181 -42.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.987 -26.556 -42.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.438 -25.892 -43.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.368 -26.324 -44.367 1.00 0.00 H new ATOM 196 N GLU A 12 14.460 -21.477 -40.635 1.00 0.00 N ATOM 197 CA GLU A 12 14.123 -21.141 -39.256 1.00 0.00 C ATOM 198 C GLU A 12 14.966 -21.953 -38.277 1.00 0.00 C ATOM 199 O GLU A 12 15.284 -23.114 -38.532 1.00 0.00 O ATOM 200 CB GLU A 12 12.636 -21.391 -38.996 1.00 0.00 C ATOM 201 CG GLU A 12 12.240 -21.241 -37.537 1.00 0.00 C ATOM 202 CD GLU A 12 10.747 -21.051 -37.354 1.00 0.00 C ATOM 203 OE1 GLU A 12 9.980 -21.950 -37.757 1.00 0.00 O ATOM 204 OE2 GLU A 12 10.345 -20.002 -36.808 1.00 0.00 O ATOM 0 H GLU A 12 14.611 -22.472 -40.802 1.00 0.00 H new ATOM 0 HA GLU A 12 14.338 -20.083 -39.103 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.049 -20.696 -39.596 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.381 -22.396 -39.332 1.00 0.00 H new ATOM 0 HG2 GLU A 12 12.560 -22.125 -36.985 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.766 -20.389 -37.107 1.00 0.00 H new ATOM 211 N GLU A 13 15.323 -21.333 -37.157 1.00 0.00 N ATOM 212 CA GLU A 13 16.130 -21.997 -36.140 1.00 0.00 C ATOM 213 C GLU A 13 15.251 -22.545 -35.020 1.00 0.00 C ATOM 214 O GLU A 13 14.319 -21.881 -34.566 1.00 0.00 O ATOM 215 CB GLU A 13 17.164 -21.028 -35.564 1.00 0.00 C ATOM 216 CG GLU A 13 18.369 -20.815 -36.466 1.00 0.00 C ATOM 217 CD GLU A 13 19.266 -22.036 -36.538 1.00 0.00 C ATOM 218 OE1 GLU A 13 19.894 -22.372 -35.512 1.00 0.00 O ATOM 219 OE2 GLU A 13 19.340 -22.654 -37.620 1.00 0.00 O ATOM 0 H GLU A 13 15.066 -20.372 -36.931 1.00 0.00 H new ATOM 0 HA GLU A 13 16.649 -22.831 -36.613 1.00 0.00 H new ATOM 0 HB2 GLU A 13 16.685 -20.067 -35.379 1.00 0.00 H new ATOM 0 HB3 GLU A 13 17.505 -21.405 -34.600 1.00 0.00 H new ATOM 0 HG2 GLU A 13 18.027 -20.560 -37.469 1.00 0.00 H new ATOM 0 HG3 GLU A 13 18.946 -19.966 -36.101 1.00 0.00 H new ATOM 226 N HIS A 14 15.553 -23.763 -34.580 1.00 0.00 N ATOM 227 CA HIS A 14 14.790 -24.401 -33.513 1.00 0.00 C ATOM 228 C HIS A 14 15.558 -24.358 -32.196 1.00 0.00 C ATOM 229 O HIS A 14 15.567 -25.329 -31.440 1.00 0.00 O ATOM 230 CB HIS A 14 14.469 -25.850 -33.883 1.00 0.00 C ATOM 231 CG HIS A 14 13.286 -25.988 -34.791 1.00 0.00 C ATOM 232 ND1 HIS A 14 12.427 -27.066 -34.748 1.00 0.00 N ATOM 233 CD2 HIS A 14 12.819 -25.175 -35.767 1.00 0.00 C ATOM 234 CE1 HIS A 14 11.484 -26.911 -35.660 1.00 0.00 C ATOM 235 NE2 HIS A 14 11.699 -25.772 -36.293 1.00 0.00 N ATOM 0 H HIS A 14 16.320 -24.327 -34.946 1.00 0.00 H new ATOM 0 HA HIS A 14 13.857 -23.851 -33.388 1.00 0.00 H new ATOM 0 HB2 HIS A 14 15.340 -26.295 -34.364 1.00 0.00 H new ATOM 0 HB3 HIS A 14 14.285 -26.417 -32.971 1.00 0.00 H new ATOM 0 HD2 HIS A 14 13.247 -24.232 -36.075 1.00 0.00 H new ATOM 0 HE1 HIS A 14 10.675 -27.599 -35.855 1.00 0.00 H new ATOM 0 HE2 HIS A 14 11.127 -25.397 -37.049 1.00 0.00 H new ATOM 244 N ALA A 15 16.203 -23.227 -31.929 1.00 0.00 N ATOM 245 CA ALA A 15 16.973 -23.058 -30.703 1.00 0.00 C ATOM 246 C ALA A 15 16.140 -22.377 -29.621 1.00 0.00 C ATOM 247 O ALA A 15 15.437 -21.401 -29.887 1.00 0.00 O ATOM 248 CB ALA A 15 18.237 -22.259 -30.980 1.00 0.00 C ATOM 0 H ALA A 15 16.207 -22.414 -32.545 1.00 0.00 H new ATOM 0 HA ALA A 15 17.254 -24.047 -30.340 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.802 -22.140 -30.056 1.00 0.00 H new ATOM 0 HB2 ALA A 15 18.847 -22.786 -31.713 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.969 -21.277 -31.370 1.00 0.00 H new ATOM 254 N HIS A 16 16.224 -22.897 -28.401 1.00 0.00 N ATOM 255 CA HIS A 16 15.478 -22.338 -27.279 1.00 0.00 C ATOM 256 C HIS A 16 16.420 -21.926 -26.152 1.00 0.00 C ATOM 257 O HIS A 16 17.564 -22.374 -26.091 1.00 0.00 O ATOM 258 CB HIS A 16 14.458 -23.353 -26.762 1.00 0.00 C ATOM 259 CG HIS A 16 13.903 -23.010 -25.413 1.00 0.00 C ATOM 260 ND1 HIS A 16 13.067 -21.936 -25.195 1.00 0.00 N ATOM 261 CD2 HIS A 16 14.067 -23.609 -24.210 1.00 0.00 C ATOM 262 CE1 HIS A 16 12.743 -21.886 -23.915 1.00 0.00 C ATOM 263 NE2 HIS A 16 13.336 -22.891 -23.296 1.00 0.00 N ATOM 0 H HIS A 16 16.801 -23.704 -28.164 1.00 0.00 H new ATOM 0 HA HIS A 16 14.951 -21.451 -27.630 1.00 0.00 H new ATOM 0 HB2 HIS A 16 13.637 -23.427 -27.475 1.00 0.00 H new ATOM 0 HB3 HIS A 16 14.928 -24.335 -26.714 1.00 0.00 H new ATOM 0 HD2 HIS A 16 14.662 -24.487 -24.007 1.00 0.00 H new ATOM 0 HE1 HIS A 16 12.102 -21.149 -23.454 1.00 0.00 H new ATOM 0 HE2 HIS A 16 13.263 -23.100 -22.300 1.00 0.00 H new ATOM 272 N ALA A 17 15.930 -21.068 -25.262 1.00 0.00 N ATOM 273 CA ALA A 17 16.728 -20.596 -24.137 1.00 0.00 C ATOM 274 C ALA A 17 15.954 -20.714 -22.829 1.00 0.00 C ATOM 275 O ALA A 17 14.805 -20.281 -22.733 1.00 0.00 O ATOM 276 CB ALA A 17 17.165 -19.157 -24.367 1.00 0.00 C ATOM 0 H ALA A 17 14.985 -20.686 -25.299 1.00 0.00 H new ATOM 0 HA ALA A 17 17.615 -21.225 -24.062 1.00 0.00 H new ATOM 0 HB1 ALA A 17 17.760 -18.818 -23.519 1.00 0.00 H new ATOM 0 HB2 ALA A 17 17.763 -19.099 -25.276 1.00 0.00 H new ATOM 0 HB3 ALA A 17 16.285 -18.522 -24.470 1.00 0.00 H new ATOM 282 N HIS A 18 16.590 -21.304 -21.821 1.00 0.00 N ATOM 283 CA HIS A 18 15.961 -21.478 -20.517 1.00 0.00 C ATOM 284 C HIS A 18 16.367 -20.359 -19.563 1.00 0.00 C ATOM 285 O HIS A 18 17.370 -20.463 -18.859 1.00 0.00 O ATOM 286 CB HIS A 18 16.341 -22.834 -19.921 1.00 0.00 C ATOM 287 CG HIS A 18 16.199 -23.973 -20.884 1.00 0.00 C ATOM 288 ND1 HIS A 18 15.381 -25.058 -20.652 1.00 0.00 N ATOM 289 CD2 HIS A 18 16.777 -24.190 -22.089 1.00 0.00 C ATOM 290 CE1 HIS A 18 15.462 -25.894 -21.671 1.00 0.00 C ATOM 291 NE2 HIS A 18 16.302 -25.391 -22.557 1.00 0.00 N ATOM 0 H HIS A 18 17.540 -21.669 -21.883 1.00 0.00 H new ATOM 0 HA HIS A 18 14.880 -21.439 -20.655 1.00 0.00 H new ATOM 0 HB2 HIS A 18 17.372 -22.792 -19.571 1.00 0.00 H new ATOM 0 HB3 HIS A 18 15.716 -23.026 -19.049 1.00 0.00 H new ATOM 0 HD2 HIS A 18 17.480 -23.540 -22.589 1.00 0.00 H new ATOM 0 HE1 HIS A 18 14.931 -26.830 -21.764 1.00 0.00 H new ATOM 0 HE2 HIS A 18 16.557 -25.824 -23.445 1.00 0.00 H new ATOM 300 N ASN A 19 15.580 -19.287 -19.547 1.00 0.00 N ATOM 301 CA ASN A 19 15.858 -18.148 -18.681 1.00 0.00 C ATOM 302 C ASN A 19 15.478 -18.457 -17.237 1.00 0.00 C ATOM 303 O ASN A 19 14.393 -18.099 -16.778 1.00 0.00 O ATOM 304 CB ASN A 19 15.097 -16.913 -19.168 1.00 0.00 C ATOM 305 CG ASN A 19 15.198 -16.727 -20.670 1.00 0.00 C ATOM 306 OD1 ASN A 19 16.156 -16.138 -21.171 1.00 0.00 O ATOM 307 ND2 ASN A 19 14.205 -17.228 -21.396 1.00 0.00 N ATOM 0 H ASN A 19 14.745 -19.184 -20.124 1.00 0.00 H new ATOM 0 HA ASN A 19 16.928 -17.946 -18.721 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.048 -17.001 -18.885 1.00 0.00 H new ATOM 0 HB3 ASN A 19 15.489 -16.027 -18.668 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.217 -17.132 -22.411 1.00 0.00 H new ATOM 0 HD22 ASN A 19 13.431 -17.709 -20.938 1.00 0.00 H new ATOM 314 N LYS A 20 16.379 -19.123 -16.523 1.00 0.00 N ATOM 315 CA LYS A 20 16.140 -19.479 -15.129 1.00 0.00 C ATOM 316 C LYS A 20 16.655 -18.390 -14.193 1.00 0.00 C ATOM 317 O LYS A 20 17.655 -18.577 -13.500 1.00 0.00 O ATOM 318 CB LYS A 20 16.816 -20.812 -14.799 1.00 0.00 C ATOM 319 CG LYS A 20 16.330 -21.969 -15.655 1.00 0.00 C ATOM 320 CD LYS A 20 15.026 -22.543 -15.126 1.00 0.00 C ATOM 321 CE LYS A 20 14.718 -23.895 -15.752 1.00 0.00 C ATOM 322 NZ LYS A 20 15.448 -25.000 -15.072 1.00 0.00 N ATOM 0 H LYS A 20 17.282 -19.427 -16.887 1.00 0.00 H new ATOM 0 HA LYS A 20 15.064 -19.578 -14.985 1.00 0.00 H new ATOM 0 HB2 LYS A 20 17.893 -20.705 -14.926 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.641 -21.049 -13.750 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.190 -21.630 -16.681 1.00 0.00 H new ATOM 0 HG3 LYS A 20 17.090 -22.750 -15.678 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.086 -22.648 -14.043 1.00 0.00 H new ATOM 0 HD3 LYS A 20 14.211 -21.850 -15.335 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.646 -24.083 -15.701 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.989 -23.877 -16.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 15.211 -25.904 -15.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.472 -24.834 -15.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 15.171 -25.034 -14.070 1.00 0.00 H new ATOM 336 N ASP A 21 15.966 -17.255 -14.178 1.00 0.00 N ATOM 337 CA ASP A 21 16.352 -16.137 -13.325 1.00 0.00 C ATOM 338 C ASP A 21 15.139 -15.561 -12.602 1.00 0.00 C ATOM 339 O ASP A 21 14.539 -14.586 -13.054 1.00 0.00 O ATOM 340 CB ASP A 21 17.032 -15.046 -14.155 1.00 0.00 C ATOM 341 CG ASP A 21 17.531 -13.896 -13.302 1.00 0.00 C ATOM 342 OD1 ASP A 21 18.245 -14.158 -12.311 1.00 0.00 O ATOM 343 OD2 ASP A 21 17.207 -12.735 -13.625 1.00 0.00 O ATOM 0 H ASP A 21 15.137 -17.084 -14.747 1.00 0.00 H new ATOM 0 HA ASP A 21 17.055 -16.507 -12.579 1.00 0.00 H new ATOM 0 HB2 ASP A 21 17.870 -15.479 -14.702 1.00 0.00 H new ATOM 0 HB3 ASP A 21 16.329 -14.666 -14.896 1.00 0.00 H new ATOM 348 N TYR A 22 14.784 -16.171 -11.476 1.00 0.00 N ATOM 349 CA TYR A 22 13.640 -15.721 -10.692 1.00 0.00 C ATOM 350 C TYR A 22 14.055 -15.400 -9.259 1.00 0.00 C ATOM 351 O TYR A 22 15.141 -15.775 -8.816 1.00 0.00 O ATOM 352 CB TYR A 22 12.545 -16.789 -10.690 1.00 0.00 C ATOM 353 CG TYR A 22 13.075 -18.201 -10.797 1.00 0.00 C ATOM 354 CD1 TYR A 22 13.713 -18.639 -11.951 1.00 0.00 C ATOM 355 CD2 TYR A 22 12.940 -19.096 -9.743 1.00 0.00 C ATOM 356 CE1 TYR A 22 14.198 -19.929 -12.053 1.00 0.00 C ATOM 357 CE2 TYR A 22 13.423 -20.387 -9.835 1.00 0.00 C ATOM 358 CZ TYR A 22 14.051 -20.799 -10.992 1.00 0.00 C ATOM 359 OH TYR A 22 14.534 -22.083 -11.090 1.00 0.00 O ATOM 0 H TYR A 22 15.272 -16.978 -11.086 1.00 0.00 H new ATOM 0 HA TYR A 22 13.251 -14.812 -11.151 1.00 0.00 H new ATOM 0 HB2 TYR A 22 11.962 -16.697 -9.774 1.00 0.00 H new ATOM 0 HB3 TYR A 22 11.865 -16.601 -11.521 1.00 0.00 H new ATOM 0 HD1 TYR A 22 13.832 -17.960 -12.782 1.00 0.00 H new ATOM 0 HD2 TYR A 22 12.449 -18.777 -8.836 1.00 0.00 H new ATOM 0 HE1 TYR A 22 14.689 -20.254 -12.958 1.00 0.00 H new ATOM 0 HE2 TYR A 22 13.310 -21.070 -9.006 1.00 0.00 H new ATOM 0 HH TYR A 22 14.351 -22.566 -10.257 1.00 0.00 H new ATOM 369 N ASP A 23 13.182 -14.703 -8.540 1.00 0.00 N ATOM 370 CA ASP A 23 13.456 -14.331 -7.156 1.00 0.00 C ATOM 371 C ASP A 23 12.301 -14.738 -6.246 1.00 0.00 C ATOM 372 O ASP A 23 11.211 -14.170 -6.319 1.00 0.00 O ATOM 373 CB ASP A 23 13.700 -12.825 -7.049 1.00 0.00 C ATOM 374 CG ASP A 23 13.635 -12.329 -5.618 1.00 0.00 C ATOM 375 OD1 ASP A 23 14.256 -12.964 -4.740 1.00 0.00 O ATOM 376 OD2 ASP A 23 12.964 -11.304 -5.376 1.00 0.00 O ATOM 0 H ASP A 23 12.279 -14.384 -8.892 1.00 0.00 H new ATOM 0 HA ASP A 23 14.353 -14.860 -6.834 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.677 -12.587 -7.469 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.959 -12.296 -7.648 1.00 0.00 H new ATOM 381 N ILE A 24 12.547 -15.726 -5.392 1.00 0.00 N ATOM 382 CA ILE A 24 11.528 -16.208 -4.468 1.00 0.00 C ATOM 383 C ILE A 24 11.877 -15.849 -3.028 1.00 0.00 C ATOM 384 O ILE A 24 13.022 -15.971 -2.592 1.00 0.00 O ATOM 385 CB ILE A 24 11.347 -17.733 -4.576 1.00 0.00 C ATOM 386 CG1 ILE A 24 11.723 -18.216 -5.978 1.00 0.00 C ATOM 387 CG2 ILE A 24 9.914 -18.122 -4.243 1.00 0.00 C ATOM 388 CD1 ILE A 24 10.817 -17.681 -7.065 1.00 0.00 C ATOM 0 H ILE A 24 13.443 -16.208 -5.321 1.00 0.00 H new ATOM 0 HA ILE A 24 10.594 -15.719 -4.745 1.00 0.00 H new ATOM 0 HB ILE A 24 12.010 -18.214 -3.857 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.749 -17.919 -6.193 1.00 0.00 H new ATOM 0 HG13 ILE A 24 11.696 -19.305 -5.997 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.802 -19.203 -4.324 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.679 -17.808 -3.226 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.233 -17.634 -4.940 1.00 0.00 H new ATOM 0 HD11 ILE A 24 11.143 -18.065 -8.032 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.792 -18.000 -6.875 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.862 -16.592 -7.073 1.00 0.00 H new ATOM 400 N PRO A 25 10.867 -15.397 -2.269 1.00 0.00 N ATOM 401 CA PRO A 25 11.042 -15.013 -0.865 1.00 0.00 C ATOM 402 C PRO A 25 11.310 -16.214 0.035 1.00 0.00 C ATOM 403 O PRO A 25 10.479 -17.116 0.149 1.00 0.00 O ATOM 404 CB PRO A 25 9.704 -14.364 -0.506 1.00 0.00 C ATOM 405 CG PRO A 25 8.723 -14.971 -1.448 1.00 0.00 C ATOM 406 CD PRO A 25 9.477 -15.226 -2.724 1.00 0.00 C ATOM 0 HA PRO A 25 11.901 -14.356 -0.726 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.433 -14.564 0.531 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.746 -13.281 -0.622 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.316 -15.898 -1.044 1.00 0.00 H new ATOM 0 HG3 PRO A 25 7.881 -14.301 -1.620 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.110 -16.115 -3.237 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.382 -14.393 -3.421 1.00 0.00 H new ATOM 414 N THR A 26 12.476 -16.221 0.673 1.00 0.00 N ATOM 415 CA THR A 26 12.854 -17.312 1.563 1.00 0.00 C ATOM 416 C THR A 26 11.857 -17.459 2.707 1.00 0.00 C ATOM 417 O THR A 26 11.771 -18.513 3.338 1.00 0.00 O ATOM 418 CB THR A 26 14.262 -17.097 2.149 1.00 0.00 C ATOM 419 OG1 THR A 26 14.329 -15.829 2.812 1.00 0.00 O ATOM 420 CG2 THR A 26 15.319 -17.159 1.057 1.00 0.00 C ATOM 0 H THR A 26 13.175 -15.483 0.590 1.00 0.00 H new ATOM 0 HA THR A 26 12.853 -18.223 0.964 1.00 0.00 H new ATOM 0 HB THR A 26 14.457 -17.893 2.867 1.00 0.00 H new ATOM 0 HG1 THR A 26 15.227 -15.701 3.183 1.00 0.00 H new ATOM 0 HG21 THR A 26 16.305 -17.004 1.496 1.00 0.00 H new ATOM 0 HG22 THR A 26 15.286 -18.135 0.574 1.00 0.00 H new ATOM 0 HG23 THR A 26 15.125 -16.382 0.318 1.00 0.00 H new ATOM 428 N THR A 27 11.103 -16.396 2.969 1.00 0.00 N ATOM 429 CA THR A 27 10.112 -16.407 4.037 1.00 0.00 C ATOM 430 C THR A 27 8.698 -16.484 3.474 1.00 0.00 C ATOM 431 O THR A 27 8.426 -15.982 2.384 1.00 0.00 O ATOM 432 CB THR A 27 10.231 -15.155 4.927 1.00 0.00 C ATOM 433 OG1 THR A 27 11.609 -14.819 5.118 1.00 0.00 O ATOM 434 CG2 THR A 27 9.567 -15.385 6.277 1.00 0.00 C ATOM 0 H THR A 27 11.160 -15.516 2.456 1.00 0.00 H new ATOM 0 HA THR A 27 10.308 -17.293 4.641 1.00 0.00 H new ATOM 0 HB THR A 27 9.723 -14.331 4.426 1.00 0.00 H new ATOM 0 HG1 THR A 27 11.676 -14.021 5.683 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.664 -14.487 6.888 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.511 -15.611 6.129 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.050 -16.221 6.782 1.00 0.00 H new ATOM 442 N GLU A 28 7.800 -17.116 4.225 1.00 0.00 N ATOM 443 CA GLU A 28 6.413 -17.258 3.798 1.00 0.00 C ATOM 444 C GLU A 28 5.665 -15.934 3.928 1.00 0.00 C ATOM 445 O GLU A 28 4.712 -15.821 4.697 1.00 0.00 O ATOM 446 CB GLU A 28 5.710 -18.336 4.625 1.00 0.00 C ATOM 447 CG GLU A 28 5.969 -18.224 6.118 1.00 0.00 C ATOM 448 CD GLU A 28 5.072 -19.133 6.936 1.00 0.00 C ATOM 449 OE1 GLU A 28 3.838 -19.061 6.763 1.00 0.00 O ATOM 450 OE2 GLU A 28 5.606 -19.917 7.749 1.00 0.00 O ATOM 0 H GLU A 28 8.008 -17.537 5.130 1.00 0.00 H new ATOM 0 HA GLU A 28 6.411 -17.555 2.749 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.636 -18.277 4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.037 -19.317 4.281 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.011 -18.470 6.321 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.818 -17.191 6.433 1.00 0.00 H new ATOM 457 N ASN A 29 6.107 -14.935 3.171 1.00 0.00 N ATOM 458 CA ASN A 29 5.482 -13.618 3.202 1.00 0.00 C ATOM 459 C ASN A 29 5.234 -13.100 1.789 1.00 0.00 C ATOM 460 O ASN A 29 6.169 -12.933 1.004 1.00 0.00 O ATOM 461 CB ASN A 29 6.360 -12.630 3.973 1.00 0.00 C ATOM 462 CG ASN A 29 6.809 -13.180 5.313 1.00 0.00 C ATOM 463 OD1 ASN A 29 7.956 -12.995 5.720 1.00 0.00 O ATOM 464 ND2 ASN A 29 5.903 -13.860 6.006 1.00 0.00 N ATOM 0 H ASN A 29 6.896 -15.013 2.529 1.00 0.00 H new ATOM 0 HA ASN A 29 4.522 -13.712 3.709 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.236 -12.382 3.373 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.808 -11.703 4.130 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.146 -14.254 6.915 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.964 -13.989 5.629 1.00 0.00 H new ATOM 471 N LEU A 30 3.970 -12.846 1.470 1.00 0.00 N ATOM 472 CA LEU A 30 3.599 -12.346 0.151 1.00 0.00 C ATOM 473 C LEU A 30 3.341 -10.843 0.191 1.00 0.00 C ATOM 474 O LEU A 30 2.668 -10.342 1.092 1.00 0.00 O ATOM 475 CB LEU A 30 2.355 -13.075 -0.361 1.00 0.00 C ATOM 476 CG LEU A 30 2.272 -13.280 -1.874 1.00 0.00 C ATOM 477 CD1 LEU A 30 2.524 -11.970 -2.604 1.00 0.00 C ATOM 478 CD2 LEU A 30 3.263 -14.342 -2.323 1.00 0.00 C ATOM 0 H LEU A 30 3.184 -12.978 2.107 1.00 0.00 H new ATOM 0 HA LEU A 30 4.430 -12.535 -0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.307 -14.051 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.475 -12.518 -0.041 1.00 0.00 H new ATOM 0 HG LEU A 30 1.267 -13.622 -2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.461 -12.135 -3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.775 -11.237 -2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.517 -11.598 -2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.190 -14.475 -3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.274 -14.029 -2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.036 -15.285 -1.825 1.00 0.00 H new ATOM 490 N TYR A 31 3.879 -10.130 -0.792 1.00 0.00 N ATOM 491 CA TYR A 31 3.708 -8.684 -0.869 1.00 0.00 C ATOM 492 C TYR A 31 2.879 -8.298 -2.090 1.00 0.00 C ATOM 493 O TYR A 31 2.980 -8.922 -3.147 1.00 0.00 O ATOM 494 CB TYR A 31 5.070 -7.990 -0.923 1.00 0.00 C ATOM 495 CG TYR A 31 5.780 -7.945 0.411 1.00 0.00 C ATOM 496 CD1 TYR A 31 5.116 -7.532 1.560 1.00 0.00 C ATOM 497 CD2 TYR A 31 7.114 -8.315 0.524 1.00 0.00 C ATOM 498 CE1 TYR A 31 5.760 -7.489 2.781 1.00 0.00 C ATOM 499 CE2 TYR A 31 7.766 -8.276 1.741 1.00 0.00 C ATOM 500 CZ TYR A 31 7.085 -7.862 2.867 1.00 0.00 C ATOM 501 OH TYR A 31 7.732 -7.821 4.081 1.00 0.00 O ATOM 0 H TYR A 31 4.437 -10.530 -1.546 1.00 0.00 H new ATOM 0 HA TYR A 31 3.177 -8.358 0.026 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.703 -8.506 -1.645 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.935 -6.972 -1.288 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.078 -7.240 1.497 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.651 -8.639 -0.355 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.229 -7.165 3.664 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.803 -8.568 1.811 1.00 0.00 H new ATOM 0 HH TYR A 31 8.660 -8.116 3.968 1.00 0.00 H new ATOM 511 N PHE A 32 2.059 -7.263 -1.938 1.00 0.00 N ATOM 512 CA PHE A 32 1.212 -6.792 -3.027 1.00 0.00 C ATOM 513 C PHE A 32 1.031 -5.279 -2.960 1.00 0.00 C ATOM 514 O PHE A 32 1.031 -4.691 -1.879 1.00 0.00 O ATOM 515 CB PHE A 32 -0.153 -7.483 -2.975 1.00 0.00 C ATOM 516 CG PHE A 32 -0.129 -8.896 -3.484 1.00 0.00 C ATOM 517 CD1 PHE A 32 -0.136 -9.157 -4.844 1.00 0.00 C ATOM 518 CD2 PHE A 32 -0.098 -9.963 -2.601 1.00 0.00 C ATOM 519 CE1 PHE A 32 -0.116 -10.456 -5.315 1.00 0.00 C ATOM 520 CE2 PHE A 32 -0.077 -11.265 -3.065 1.00 0.00 C ATOM 521 CZ PHE A 32 -0.084 -11.512 -4.424 1.00 0.00 C ATOM 0 H PHE A 32 1.963 -6.735 -1.071 1.00 0.00 H new ATOM 0 HA PHE A 32 1.702 -7.040 -3.968 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.513 -7.482 -1.946 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.866 -6.905 -3.563 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.157 -8.336 -5.545 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.090 -9.775 -1.537 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.125 -10.646 -6.378 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.055 -12.088 -2.366 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.065 -12.528 -4.789 1.00 0.00 H new ATOM 531 N GLN A 33 0.878 -4.655 -4.124 1.00 0.00 N ATOM 532 CA GLN A 33 0.698 -3.210 -4.198 1.00 0.00 C ATOM 533 C GLN A 33 -0.269 -2.838 -5.317 1.00 0.00 C ATOM 534 O GLN A 33 -0.280 -3.465 -6.375 1.00 0.00 O ATOM 535 CB GLN A 33 2.044 -2.518 -4.420 1.00 0.00 C ATOM 536 CG GLN A 33 2.374 -2.286 -5.886 1.00 0.00 C ATOM 537 CD GLN A 33 3.862 -2.139 -6.133 1.00 0.00 C ATOM 538 OE1 GLN A 33 4.683 -2.639 -5.363 1.00 0.00 O ATOM 539 NE2 GLN A 33 4.219 -1.452 -7.212 1.00 0.00 N ATOM 0 H GLN A 33 0.875 -5.127 -5.028 1.00 0.00 H new ATOM 0 HA GLN A 33 0.276 -2.873 -3.251 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.040 -1.560 -3.901 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.832 -3.122 -3.970 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.992 -3.119 -6.477 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.862 -1.388 -6.232 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.505 -1.055 -7.823 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.207 -1.322 -7.430 1.00 0.00 H new ATOM 548 N GLY A 34 -1.082 -1.814 -5.074 1.00 0.00 N ATOM 549 CA GLY A 34 -2.042 -1.377 -6.070 1.00 0.00 C ATOM 550 C GLY A 34 -3.277 -0.754 -5.451 1.00 0.00 C ATOM 551 O GLY A 34 -4.396 -1.213 -5.683 1.00 0.00 O ATOM 0 H GLY A 34 -1.093 -1.280 -4.205 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.568 -0.654 -6.734 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.337 -2.228 -6.684 1.00 0.00 H new ATOM 555 N SER A 35 -3.075 0.295 -4.660 1.00 0.00 N ATOM 556 CA SER A 35 -4.181 0.979 -4.000 1.00 0.00 C ATOM 557 C SER A 35 -5.011 1.768 -5.009 1.00 0.00 C ATOM 558 O SER A 35 -4.478 2.322 -5.970 1.00 0.00 O ATOM 559 CB SER A 35 -3.653 1.917 -2.913 1.00 0.00 C ATOM 560 OG SER A 35 -2.769 2.882 -3.457 1.00 0.00 O ATOM 0 H SER A 35 -2.156 0.690 -4.461 1.00 0.00 H new ATOM 0 HA SER A 35 -4.820 0.225 -3.540 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.488 2.419 -2.424 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.137 1.338 -2.147 1.00 0.00 H new ATOM 0 HG SER A 35 -2.447 3.470 -2.742 1.00 0.00 H new ATOM 566 N SER A 36 -6.320 1.813 -4.782 1.00 0.00 N ATOM 567 CA SER A 36 -7.226 2.530 -5.672 1.00 0.00 C ATOM 568 C SER A 36 -7.553 3.912 -5.116 1.00 0.00 C ATOM 569 O SER A 36 -8.706 4.340 -5.124 1.00 0.00 O ATOM 570 CB SER A 36 -8.515 1.731 -5.875 1.00 0.00 C ATOM 571 OG SER A 36 -9.307 2.294 -6.906 1.00 0.00 O ATOM 0 H SER A 36 -6.777 1.362 -3.990 1.00 0.00 H new ATOM 0 HA SER A 36 -6.728 2.653 -6.634 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.271 0.698 -6.123 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.084 1.710 -4.945 1.00 0.00 H new ATOM 0 HG SER A 36 -9.482 3.237 -6.706 1.00 0.00 H new ATOM 577 N GLY A 37 -6.527 4.607 -4.633 1.00 0.00 N ATOM 578 CA GLY A 37 -6.725 5.934 -4.079 1.00 0.00 C ATOM 579 C GLY A 37 -5.972 6.137 -2.779 1.00 0.00 C ATOM 580 O GLY A 37 -4.783 6.455 -2.786 1.00 0.00 O ATOM 0 H GLY A 37 -5.563 4.275 -4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.399 6.680 -4.804 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.789 6.098 -3.909 1.00 0.00 H new ATOM 584 N SER A 38 -6.666 5.957 -1.660 1.00 0.00 N ATOM 585 CA SER A 38 -6.057 6.128 -0.347 1.00 0.00 C ATOM 586 C SER A 38 -5.967 4.794 0.389 1.00 0.00 C ATOM 587 O SER A 38 -6.429 3.767 -0.107 1.00 0.00 O ATOM 588 CB SER A 38 -6.861 7.129 0.485 1.00 0.00 C ATOM 589 OG SER A 38 -6.962 8.378 -0.176 1.00 0.00 O ATOM 0 H SER A 38 -7.651 5.693 -1.637 1.00 0.00 H new ATOM 0 HA SER A 38 -5.047 6.513 -0.490 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.859 6.732 0.673 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.384 7.265 1.456 1.00 0.00 H new ATOM 0 HG SER A 38 -7.482 8.999 0.376 1.00 0.00 H new ATOM 595 N SER A 39 -5.368 4.819 1.575 1.00 0.00 N ATOM 596 CA SER A 39 -5.214 3.612 2.379 1.00 0.00 C ATOM 597 C SER A 39 -6.573 3.042 2.770 1.00 0.00 C ATOM 598 O SER A 39 -6.782 1.830 2.743 1.00 0.00 O ATOM 599 CB SER A 39 -4.393 3.912 3.635 1.00 0.00 C ATOM 600 OG SER A 39 -4.783 5.144 4.217 1.00 0.00 O ATOM 0 H SER A 39 -4.981 5.662 2.001 1.00 0.00 H new ATOM 0 HA SER A 39 -4.688 2.870 1.778 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.522 3.107 4.359 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.333 3.945 3.381 1.00 0.00 H new ATOM 0 HG SER A 39 -4.245 5.312 5.019 1.00 0.00 H new ATOM 606 N GLY A 40 -7.497 3.927 3.134 1.00 0.00 N ATOM 607 CA GLY A 40 -8.825 3.494 3.526 1.00 0.00 C ATOM 608 C GLY A 40 -9.618 2.931 2.363 1.00 0.00 C ATOM 609 O GLY A 40 -10.164 1.831 2.450 1.00 0.00 O ATOM 0 H GLY A 40 -7.349 4.936 3.164 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.742 2.737 4.305 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.366 4.336 3.957 1.00 0.00 H new ATOM 613 N ASP A 41 -9.684 3.687 1.273 1.00 0.00 N ATOM 614 CA ASP A 41 -10.417 3.258 0.088 1.00 0.00 C ATOM 615 C ASP A 41 -10.092 1.808 -0.257 1.00 0.00 C ATOM 616 O ASP A 41 -10.960 1.054 -0.696 1.00 0.00 O ATOM 617 CB ASP A 41 -10.086 4.164 -1.099 1.00 0.00 C ATOM 618 CG ASP A 41 -9.820 5.595 -0.678 1.00 0.00 C ATOM 619 OD1 ASP A 41 -10.174 5.953 0.465 1.00 0.00 O ATOM 620 OD2 ASP A 41 -9.259 6.359 -1.491 1.00 0.00 O ATOM 0 H ASP A 41 -9.239 4.600 1.185 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.483 3.331 0.305 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.211 3.773 -1.618 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.913 4.145 -1.809 1.00 0.00 H new ATOM 625 N MET A 42 -8.835 1.425 -0.056 1.00 0.00 N ATOM 626 CA MET A 42 -8.395 0.065 -0.346 1.00 0.00 C ATOM 627 C MET A 42 -9.291 -0.956 0.349 1.00 0.00 C ATOM 628 O MET A 42 -9.561 -2.028 -0.191 1.00 0.00 O ATOM 629 CB MET A 42 -6.943 -0.129 0.095 1.00 0.00 C ATOM 630 CG MET A 42 -5.931 0.168 -0.999 1.00 0.00 C ATOM 631 SD MET A 42 -4.576 -1.022 -1.033 1.00 0.00 S ATOM 632 CE MET A 42 -5.114 -2.111 -2.349 1.00 0.00 C ATOM 0 H MET A 42 -8.104 2.037 0.306 1.00 0.00 H new ATOM 0 HA MET A 42 -8.464 -0.091 -1.423 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.742 0.517 0.950 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.809 -1.156 0.434 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.435 0.166 -1.965 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.526 1.169 -0.852 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.127 -3.139 -1.988 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.116 -1.826 -2.670 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.427 -2.031 -3.191 1.00 0.00 H new ATOM 642 N MET A 43 -9.747 -0.615 1.550 1.00 0.00 N ATOM 643 CA MET A 43 -10.613 -1.503 2.318 1.00 0.00 C ATOM 644 C MET A 43 -11.974 -1.649 1.646 1.00 0.00 C ATOM 645 O MET A 43 -12.717 -2.591 1.926 1.00 0.00 O ATOM 646 CB MET A 43 -10.788 -0.972 3.742 1.00 0.00 C ATOM 647 CG MET A 43 -9.485 -0.547 4.398 1.00 0.00 C ATOM 648 SD MET A 43 -8.685 -1.893 5.291 1.00 0.00 S ATOM 649 CE MET A 43 -9.857 -2.162 6.618 1.00 0.00 C ATOM 0 H MET A 43 -9.532 0.268 2.012 1.00 0.00 H new ATOM 0 HA MET A 43 -10.141 -2.485 2.359 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.469 -0.121 3.722 1.00 0.00 H new ATOM 0 HB3 MET A 43 -11.258 -1.743 4.353 1.00 0.00 H new ATOM 0 HG2 MET A 43 -8.805 -0.168 3.635 1.00 0.00 H new ATOM 0 HG3 MET A 43 -9.681 0.275 5.087 1.00 0.00 H new ATOM 0 HE1 MET A 43 -9.430 -2.852 7.346 1.00 0.00 H new ATOM 0 HE2 MET A 43 -10.079 -1.213 7.105 1.00 0.00 H new ATOM 0 HE3 MET A 43 -10.776 -2.585 6.212 1.00 0.00 H new ATOM 659 N ARG A 44 -12.295 -0.713 0.759 1.00 0.00 N ATOM 660 CA ARG A 44 -13.568 -0.738 0.049 1.00 0.00 C ATOM 661 C ARG A 44 -13.613 -1.895 -0.945 1.00 0.00 C ATOM 662 O ARG A 44 -14.521 -2.724 -0.905 1.00 0.00 O ATOM 663 CB ARG A 44 -13.794 0.586 -0.683 1.00 0.00 C ATOM 664 CG ARG A 44 -13.478 1.810 0.161 1.00 0.00 C ATOM 665 CD ARG A 44 -14.593 2.107 1.152 1.00 0.00 C ATOM 666 NE ARG A 44 -15.884 2.271 0.489 1.00 0.00 N ATOM 667 CZ ARG A 44 -16.995 2.630 1.123 1.00 0.00 C ATOM 668 NH1 ARG A 44 -16.972 2.862 2.428 1.00 0.00 N ATOM 669 NH2 ARG A 44 -18.132 2.758 0.451 1.00 0.00 N ATOM 0 H ARG A 44 -11.691 0.072 0.515 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.362 -0.880 0.782 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -13.176 0.605 -1.581 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -14.833 0.638 -1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -12.544 1.650 0.700 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -13.328 2.672 -0.489 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.658 1.297 1.878 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.353 3.014 1.707 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.935 2.101 -0.515 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.100 2.765 2.948 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.826 3.137 2.912 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -18.154 2.581 -0.553 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.984 3.034 0.939 1.00 0.00 H new ATOM 683 N GLU A 45 -12.628 -1.941 -1.836 1.00 0.00 N ATOM 684 CA GLU A 45 -12.557 -2.996 -2.841 1.00 0.00 C ATOM 685 C GLU A 45 -12.248 -4.343 -2.195 1.00 0.00 C ATOM 686 O GLU A 45 -12.929 -5.337 -2.451 1.00 0.00 O ATOM 687 CB GLU A 45 -11.491 -2.663 -3.887 1.00 0.00 C ATOM 688 CG GLU A 45 -11.131 -3.836 -4.783 1.00 0.00 C ATOM 689 CD GLU A 45 -12.128 -4.038 -5.908 1.00 0.00 C ATOM 690 OE1 GLU A 45 -13.160 -4.700 -5.673 1.00 0.00 O ATOM 691 OE2 GLU A 45 -11.875 -3.536 -7.023 1.00 0.00 O ATOM 0 H GLU A 45 -11.869 -1.261 -1.883 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.529 -3.062 -3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.846 -1.839 -4.506 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.592 -2.315 -3.379 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.139 -3.675 -5.206 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.077 -4.744 -4.183 1.00 0.00 H new ATOM 698 N ILE A 46 -11.217 -4.369 -1.358 1.00 0.00 N ATOM 699 CA ILE A 46 -10.818 -5.593 -0.675 1.00 0.00 C ATOM 700 C ILE A 46 -12.035 -6.399 -0.235 1.00 0.00 C ATOM 701 O ILE A 46 -12.254 -7.517 -0.701 1.00 0.00 O ATOM 702 CB ILE A 46 -9.943 -5.291 0.556 1.00 0.00 C ATOM 703 CG1 ILE A 46 -8.589 -4.728 0.121 1.00 0.00 C ATOM 704 CG2 ILE A 46 -9.756 -6.548 1.393 1.00 0.00 C ATOM 705 CD1 ILE A 46 -7.855 -3.999 1.225 1.00 0.00 C ATOM 0 H ILE A 46 -10.642 -3.556 -1.136 1.00 0.00 H new ATOM 0 HA ILE A 46 -10.237 -6.178 -1.389 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.447 -4.542 1.167 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.965 -5.545 -0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.740 -4.046 -0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.136 -6.319 2.259 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.728 -6.910 1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.270 -7.317 0.792 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.903 -3.627 0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.460 -3.161 1.572 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.672 -4.683 2.054 1.00 0.00 H new ATOM 717 N ARG A 47 -12.825 -5.822 0.665 1.00 0.00 N ATOM 718 CA ARG A 47 -14.022 -6.486 1.168 1.00 0.00 C ATOM 719 C ARG A 47 -14.910 -6.951 0.017 1.00 0.00 C ATOM 720 O ARG A 47 -15.521 -8.018 0.082 1.00 0.00 O ATOM 721 CB ARG A 47 -14.806 -5.545 2.084 1.00 0.00 C ATOM 722 CG ARG A 47 -14.265 -5.485 3.503 1.00 0.00 C ATOM 723 CD ARG A 47 -14.960 -4.406 4.319 1.00 0.00 C ATOM 724 NE ARG A 47 -16.367 -4.718 4.552 1.00 0.00 N ATOM 725 CZ ARG A 47 -17.116 -4.101 5.460 1.00 0.00 C ATOM 726 NH1 ARG A 47 -16.594 -3.145 6.216 1.00 0.00 N ATOM 727 NH2 ARG A 47 -18.389 -4.441 5.613 1.00 0.00 N ATOM 0 H ARG A 47 -12.658 -4.897 1.061 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.710 -7.360 1.739 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -14.794 -4.542 1.657 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.847 -5.866 2.115 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.401 -6.452 3.986 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.193 -5.289 3.477 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.451 -4.291 5.276 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.882 -3.451 3.799 1.00 0.00 H new ATOM 0 HE ARG A 47 -16.799 -5.449 3.987 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -15.615 -2.881 6.101 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.171 -2.673 6.912 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -18.794 -5.176 5.034 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -18.963 -3.967 6.310 1.00 0.00 H new ATOM 741 N LYS A 48 -14.978 -6.142 -1.035 1.00 0.00 N ATOM 742 CA LYS A 48 -15.790 -6.469 -2.201 1.00 0.00 C ATOM 743 C LYS A 48 -15.386 -7.819 -2.784 1.00 0.00 C ATOM 744 O LYS A 48 -16.236 -8.606 -3.201 1.00 0.00 O ATOM 745 CB LYS A 48 -15.652 -5.379 -3.266 1.00 0.00 C ATOM 746 CG LYS A 48 -16.818 -5.327 -4.238 1.00 0.00 C ATOM 747 CD LYS A 48 -16.531 -4.397 -5.404 1.00 0.00 C ATOM 748 CE LYS A 48 -15.841 -5.130 -6.545 1.00 0.00 C ATOM 749 NZ LYS A 48 -15.270 -4.187 -7.545 1.00 0.00 N ATOM 0 H LYS A 48 -14.480 -5.254 -1.104 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.831 -6.528 -1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.557 -4.411 -2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.731 -5.544 -3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.025 -6.329 -4.613 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.714 -4.991 -3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -17.464 -3.961 -5.761 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -15.903 -3.572 -5.067 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.046 -5.759 -6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -16.555 -5.792 -7.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.413 -4.568 -8.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -15.745 -3.266 -7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.252 -4.068 -7.368 1.00 0.00 H new ATOM 763 N VAL A 49 -14.083 -8.082 -2.809 1.00 0.00 N ATOM 764 CA VAL A 49 -13.567 -9.339 -3.338 1.00 0.00 C ATOM 765 C VAL A 49 -13.803 -10.485 -2.361 1.00 0.00 C ATOM 766 O VAL A 49 -14.254 -11.563 -2.750 1.00 0.00 O ATOM 767 CB VAL A 49 -12.061 -9.242 -3.645 1.00 0.00 C ATOM 768 CG1 VAL A 49 -11.692 -10.156 -4.803 1.00 0.00 C ATOM 769 CG2 VAL A 49 -11.671 -7.802 -3.946 1.00 0.00 C ATOM 0 H VAL A 49 -13.366 -7.441 -2.469 1.00 0.00 H new ATOM 0 HA VAL A 49 -14.107 -9.538 -4.264 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.506 -9.569 -2.765 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -10.624 -10.074 -5.005 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -11.934 -11.187 -4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.253 -9.863 -5.691 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.604 -7.751 -4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -12.232 -7.446 -4.810 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.898 -7.176 -3.083 1.00 0.00 H new ATOM 779 N LEU A 50 -13.494 -10.246 -1.092 1.00 0.00 N ATOM 780 CA LEU A 50 -13.673 -11.258 -0.057 1.00 0.00 C ATOM 781 C LEU A 50 -15.081 -11.842 -0.104 1.00 0.00 C ATOM 782 O LEU A 50 -15.258 -13.051 -0.248 1.00 0.00 O ATOM 783 CB LEU A 50 -13.402 -10.658 1.324 1.00 0.00 C ATOM 784 CG LEU A 50 -12.067 -9.933 1.491 1.00 0.00 C ATOM 785 CD1 LEU A 50 -12.012 -9.217 2.832 1.00 0.00 C ATOM 786 CD2 LEU A 50 -10.908 -10.911 1.358 1.00 0.00 C ATOM 0 H LEU A 50 -13.118 -9.360 -0.755 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.960 -12.062 -0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.204 -9.958 1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.453 -11.459 2.062 1.00 0.00 H new ATOM 0 HG LEU A 50 -11.979 -9.187 0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.054 -8.707 2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.820 -8.487 2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.123 -9.943 3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -9.966 -10.377 1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.991 -11.680 2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.936 -11.377 0.373 1.00 0.00 H new ATOM 798 N GLY A 51 -16.081 -10.974 0.018 1.00 0.00 N ATOM 799 CA GLY A 51 -17.461 -11.422 -0.015 1.00 0.00 C ATOM 800 C GLY A 51 -17.877 -11.915 -1.386 1.00 0.00 C ATOM 801 O GLY A 51 -18.874 -12.624 -1.522 1.00 0.00 O ATOM 0 H GLY A 51 -15.960 -9.968 0.139 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.598 -12.222 0.712 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.113 -10.602 0.286 1.00 0.00 H new ATOM 805 N ALA A 52 -17.114 -11.538 -2.407 1.00 0.00 N ATOM 806 CA ALA A 52 -17.409 -11.947 -3.774 1.00 0.00 C ATOM 807 C ALA A 52 -16.932 -13.371 -4.036 1.00 0.00 C ATOM 808 O ALA A 52 -17.560 -14.119 -4.784 1.00 0.00 O ATOM 809 CB ALA A 52 -16.770 -10.983 -4.763 1.00 0.00 C ATOM 0 H ALA A 52 -16.286 -10.949 -2.313 1.00 0.00 H new ATOM 0 HA ALA A 52 -18.490 -11.924 -3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.999 -11.301 -5.780 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.163 -9.980 -4.599 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.690 -10.977 -4.619 1.00 0.00 H new ATOM 815 N ASN A 53 -15.816 -13.740 -3.416 1.00 0.00 N ATOM 816 CA ASN A 53 -15.253 -15.075 -3.584 1.00 0.00 C ATOM 817 C ASN A 53 -15.624 -15.973 -2.407 1.00 0.00 C ATOM 818 O ASN A 53 -14.840 -16.827 -1.995 1.00 0.00 O ATOM 819 CB ASN A 53 -13.732 -14.997 -3.721 1.00 0.00 C ATOM 820 CG ASN A 53 -13.289 -14.835 -5.162 1.00 0.00 C ATOM 821 OD1 ASN A 53 -12.769 -15.770 -5.772 1.00 0.00 O ATOM 822 ND2 ASN A 53 -13.493 -13.644 -5.714 1.00 0.00 N ATOM 0 H ASN A 53 -15.283 -13.133 -2.793 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.670 -15.507 -4.494 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.359 -14.158 -3.133 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.286 -15.901 -3.306 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -13.215 -13.476 -6.681 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.927 -12.898 -5.171 1.00 0.00 H new ATOM 829 N ASN A 54 -16.823 -15.773 -1.872 1.00 0.00 N ATOM 830 CA ASN A 54 -17.298 -16.565 -0.743 1.00 0.00 C ATOM 831 C ASN A 54 -16.243 -16.630 0.358 1.00 0.00 C ATOM 832 O ASN A 54 -15.884 -17.712 0.824 1.00 0.00 O ATOM 833 CB ASN A 54 -17.661 -17.979 -1.201 1.00 0.00 C ATOM 834 CG ASN A 54 -18.884 -18.000 -2.098 1.00 0.00 C ATOM 835 OD1 ASN A 54 -19.426 -16.953 -2.452 1.00 0.00 O ATOM 836 ND2 ASN A 54 -19.325 -19.196 -2.469 1.00 0.00 N ATOM 0 H ASN A 54 -17.484 -15.069 -2.202 1.00 0.00 H new ATOM 0 HA ASN A 54 -18.188 -16.081 -0.341 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -16.815 -18.414 -1.734 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -17.843 -18.605 -0.328 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -20.144 -19.273 -3.071 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -18.844 -20.038 -2.152 1.00 0.00 H new ATOM 843 N CYS A 55 -15.751 -15.467 0.767 1.00 0.00 N ATOM 844 CA CYS A 55 -14.736 -15.391 1.813 1.00 0.00 C ATOM 845 C CYS A 55 -15.241 -14.580 3.002 1.00 0.00 C ATOM 846 O CYS A 55 -15.977 -13.607 2.835 1.00 0.00 O ATOM 847 CB CYS A 55 -13.453 -14.768 1.262 1.00 0.00 C ATOM 848 SG CYS A 55 -12.979 -15.375 -0.373 1.00 0.00 S ATOM 0 H CYS A 55 -16.038 -14.563 0.391 1.00 0.00 H new ATOM 0 HA CYS A 55 -14.522 -16.404 2.153 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -13.579 -13.686 1.213 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -12.639 -14.963 1.960 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.784 -16.330 -0.732 1.00 0.00 H new ATOM 854 N ASP A 56 -14.841 -14.988 4.201 1.00 0.00 N ATOM 855 CA ASP A 56 -15.253 -14.299 5.419 1.00 0.00 C ATOM 856 C ASP A 56 -14.165 -13.344 5.898 1.00 0.00 C ATOM 857 O ASP A 56 -12.978 -13.672 5.866 1.00 0.00 O ATOM 858 CB ASP A 56 -15.579 -15.313 6.518 1.00 0.00 C ATOM 859 CG ASP A 56 -16.456 -16.445 6.019 1.00 0.00 C ATOM 860 OD1 ASP A 56 -17.612 -16.174 5.632 1.00 0.00 O ATOM 861 OD2 ASP A 56 -15.985 -17.601 6.015 1.00 0.00 O ATOM 0 H ASP A 56 -14.232 -15.792 4.356 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.147 -13.718 5.194 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.651 -15.724 6.916 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -16.081 -14.804 7.341 1.00 0.00 H new ATOM 866 N TYR A 57 -14.576 -12.161 6.340 1.00 0.00 N ATOM 867 CA TYR A 57 -13.636 -11.156 6.822 1.00 0.00 C ATOM 868 C TYR A 57 -14.161 -10.479 8.085 1.00 0.00 C ATOM 869 O TYR A 57 -15.342 -10.145 8.177 1.00 0.00 O ATOM 870 CB TYR A 57 -13.377 -10.108 5.739 1.00 0.00 C ATOM 871 CG TYR A 57 -14.620 -9.700 4.981 1.00 0.00 C ATOM 872 CD1 TYR A 57 -15.167 -10.527 4.007 1.00 0.00 C ATOM 873 CD2 TYR A 57 -15.249 -8.489 5.240 1.00 0.00 C ATOM 874 CE1 TYR A 57 -16.302 -10.158 3.312 1.00 0.00 C ATOM 875 CE2 TYR A 57 -16.385 -8.112 4.551 1.00 0.00 C ATOM 876 CZ TYR A 57 -16.908 -8.950 3.587 1.00 0.00 C ATOM 877 OH TYR A 57 -18.040 -8.579 2.898 1.00 0.00 O ATOM 0 H TYR A 57 -15.554 -11.874 6.375 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.699 -11.659 7.063 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.936 -9.224 6.199 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.644 -10.500 5.034 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -14.696 -11.475 3.790 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -14.843 -7.831 5.993 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -16.713 -10.812 2.557 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -16.861 -7.167 4.765 1.00 0.00 H new ATOM 0 HH TYR A 57 -18.342 -7.701 3.213 1.00 0.00 H new ATOM 887 N GLU A 58 -13.274 -10.280 9.055 1.00 0.00 N ATOM 888 CA GLU A 58 -13.648 -9.644 10.312 1.00 0.00 C ATOM 889 C GLU A 58 -12.767 -8.429 10.590 1.00 0.00 C ATOM 890 O GLU A 58 -11.611 -8.567 10.990 1.00 0.00 O ATOM 891 CB GLU A 58 -13.540 -10.642 11.467 1.00 0.00 C ATOM 892 CG GLU A 58 -14.173 -10.151 12.758 1.00 0.00 C ATOM 893 CD GLU A 58 -15.661 -10.437 12.823 1.00 0.00 C ATOM 894 OE1 GLU A 58 -16.030 -11.571 13.192 1.00 0.00 O ATOM 895 OE2 GLU A 58 -16.455 -9.528 12.505 1.00 0.00 O ATOM 0 H GLU A 58 -12.292 -10.550 8.994 1.00 0.00 H new ATOM 0 HA GLU A 58 -14.682 -9.310 10.227 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -14.015 -11.578 11.173 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.488 -10.862 11.649 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -13.678 -10.626 13.605 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -14.008 -9.078 12.854 1.00 0.00 H new ATOM 902 N GLN A 59 -13.323 -7.241 10.375 1.00 0.00 N ATOM 903 CA GLN A 59 -12.587 -6.003 10.601 1.00 0.00 C ATOM 904 C GLN A 59 -12.195 -5.862 12.068 1.00 0.00 C ATOM 905 O GLN A 59 -13.036 -5.575 12.921 1.00 0.00 O ATOM 906 CB GLN A 59 -13.427 -4.800 10.168 1.00 0.00 C ATOM 907 CG GLN A 59 -12.598 -3.627 9.669 1.00 0.00 C ATOM 908 CD GLN A 59 -13.261 -2.289 9.934 1.00 0.00 C ATOM 909 OE1 GLN A 59 -14.487 -2.189 9.976 1.00 0.00 O ATOM 910 NE2 GLN A 59 -12.451 -1.253 10.115 1.00 0.00 N ATOM 0 H GLN A 59 -14.279 -7.110 10.045 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.677 -6.037 10.002 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -14.113 -5.111 9.380 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -14.037 -4.471 11.010 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.621 -3.646 10.152 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -12.427 -3.738 8.598 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.440 -1.382 10.072 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.839 -0.328 10.298 1.00 0.00 H new ATOM 919 N ARG A 60 -10.914 -6.067 12.356 1.00 0.00 N ATOM 920 CA ARG A 60 -10.411 -5.965 13.720 1.00 0.00 C ATOM 921 C ARG A 60 -10.032 -4.525 14.054 1.00 0.00 C ATOM 922 O ARG A 60 -10.211 -4.073 15.184 1.00 0.00 O ATOM 923 CB ARG A 60 -9.199 -6.879 13.909 1.00 0.00 C ATOM 924 CG ARG A 60 -9.460 -8.325 13.521 1.00 0.00 C ATOM 925 CD ARG A 60 -10.461 -8.982 14.458 1.00 0.00 C ATOM 926 NE ARG A 60 -9.810 -9.585 15.619 1.00 0.00 N ATOM 927 CZ ARG A 60 -9.562 -8.928 16.746 1.00 0.00 C ATOM 928 NH1 ARG A 60 -9.909 -7.654 16.865 1.00 0.00 N ATOM 929 NH2 ARG A 60 -8.966 -9.545 17.758 1.00 0.00 N ATOM 0 H ARG A 60 -10.205 -6.305 11.662 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.205 -6.280 14.397 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.370 -6.496 13.314 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.886 -6.843 14.953 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.836 -8.366 12.499 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.523 -8.882 13.539 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.185 -8.239 14.793 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.017 -9.747 13.916 1.00 0.00 H new ATOM 0 HE ARG A 60 -9.531 -10.564 15.561 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.368 -7.176 16.090 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.717 -7.152 17.732 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.698 -10.525 17.671 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.776 -9.039 18.623 1.00 0.00 H new ATOM 943 N GLU A 61 -9.508 -3.812 13.063 1.00 0.00 N ATOM 944 CA GLU A 61 -9.104 -2.424 13.252 1.00 0.00 C ATOM 945 C GLU A 61 -9.449 -1.584 12.026 1.00 0.00 C ATOM 946 O GLU A 61 -9.842 -2.115 10.987 1.00 0.00 O ATOM 947 CB GLU A 61 -7.602 -2.341 13.534 1.00 0.00 C ATOM 948 CG GLU A 61 -7.160 -3.174 14.726 1.00 0.00 C ATOM 949 CD GLU A 61 -7.408 -2.477 16.049 1.00 0.00 C ATOM 950 OE1 GLU A 61 -8.536 -2.587 16.574 1.00 0.00 O ATOM 951 OE2 GLU A 61 -6.476 -1.821 16.560 1.00 0.00 O ATOM 0 H GLU A 61 -9.353 -4.172 12.121 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.650 -2.027 14.108 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.056 -2.669 12.650 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.330 -1.300 13.708 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.691 -4.126 14.716 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.098 -3.400 14.632 1.00 0.00 H new ATOM 958 N ARG A 62 -9.300 -0.269 12.156 1.00 0.00 N ATOM 959 CA ARG A 62 -9.598 0.645 11.060 1.00 0.00 C ATOM 960 C ARG A 62 -8.927 0.184 9.769 1.00 0.00 C ATOM 961 O ARG A 62 -9.516 0.256 8.690 1.00 0.00 O ATOM 962 CB ARG A 62 -9.137 2.061 11.409 1.00 0.00 C ATOM 963 CG ARG A 62 -7.694 2.132 11.881 1.00 0.00 C ATOM 964 CD ARG A 62 -7.314 3.543 12.303 1.00 0.00 C ATOM 965 NE ARG A 62 -5.934 3.622 12.773 1.00 0.00 N ATOM 966 CZ ARG A 62 -5.455 4.639 13.481 1.00 0.00 C ATOM 967 NH1 ARG A 62 -6.242 5.657 13.799 1.00 0.00 N ATOM 968 NH2 ARG A 62 -4.188 4.638 13.872 1.00 0.00 N ATOM 0 H ARG A 62 -8.975 0.186 13.009 1.00 0.00 H new ATOM 0 HA ARG A 62 -10.677 0.649 10.907 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -9.256 2.699 10.533 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.785 2.464 12.187 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.550 1.449 12.719 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.032 1.800 11.082 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.449 4.222 11.461 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.986 3.878 13.093 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.303 2.854 12.545 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.217 5.660 13.500 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.872 6.437 14.343 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.580 3.856 13.629 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.821 5.419 14.416 1.00 0.00 H new ATOM 982 N PHE A 63 -7.691 -0.291 9.888 1.00 0.00 N ATOM 983 CA PHE A 63 -6.939 -0.763 8.731 1.00 0.00 C ATOM 984 C PHE A 63 -6.518 -2.218 8.913 1.00 0.00 C ATOM 985 O PHE A 63 -5.450 -2.629 8.458 1.00 0.00 O ATOM 986 CB PHE A 63 -5.705 0.113 8.507 1.00 0.00 C ATOM 987 CG PHE A 63 -6.034 1.534 8.151 1.00 0.00 C ATOM 988 CD1 PHE A 63 -6.666 1.834 6.955 1.00 0.00 C ATOM 989 CD2 PHE A 63 -5.713 2.570 9.013 1.00 0.00 C ATOM 990 CE1 PHE A 63 -6.969 3.142 6.625 1.00 0.00 C ATOM 991 CE2 PHE A 63 -6.014 3.880 8.689 1.00 0.00 C ATOM 992 CZ PHE A 63 -6.644 4.165 7.494 1.00 0.00 C ATOM 0 H PHE A 63 -7.189 -0.359 10.774 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.586 -0.697 7.856 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.095 0.105 9.410 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.101 -0.322 7.711 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.925 1.037 6.273 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.222 2.352 9.950 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.459 3.364 5.689 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.757 4.679 9.369 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.882 5.187 7.239 1.00 0.00 H new ATOM 1002 N LEU A 64 -7.365 -2.993 9.581 1.00 0.00 N ATOM 1003 CA LEU A 64 -7.082 -4.404 9.824 1.00 0.00 C ATOM 1004 C LEU A 64 -8.325 -5.257 9.589 1.00 0.00 C ATOM 1005 O LEU A 64 -9.405 -4.954 10.099 1.00 0.00 O ATOM 1006 CB LEU A 64 -6.576 -4.603 11.254 1.00 0.00 C ATOM 1007 CG LEU A 64 -5.846 -5.918 11.530 1.00 0.00 C ATOM 1008 CD1 LEU A 64 -4.372 -5.796 11.173 1.00 0.00 C ATOM 1009 CD2 LEU A 64 -6.012 -6.325 12.987 1.00 0.00 C ATOM 0 H LEU A 64 -8.253 -2.669 9.964 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.309 -4.721 9.124 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.905 -3.780 11.499 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.426 -4.533 11.932 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.287 -6.694 10.904 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.869 -6.741 11.376 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.273 -5.552 10.115 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.917 -5.007 11.772 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.486 -7.263 13.165 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.598 -5.549 13.631 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.071 -6.455 13.210 1.00 0.00 H new ATOM 1021 N LEU A 65 -8.165 -6.325 8.816 1.00 0.00 N ATOM 1022 CA LEU A 65 -9.274 -7.224 8.515 1.00 0.00 C ATOM 1023 C LEU A 65 -8.802 -8.674 8.472 1.00 0.00 C ATOM 1024 O LEU A 65 -7.855 -9.009 7.759 1.00 0.00 O ATOM 1025 CB LEU A 65 -9.916 -6.845 7.180 1.00 0.00 C ATOM 1026 CG LEU A 65 -11.061 -5.834 7.249 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -11.143 -5.030 5.960 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -12.381 -6.540 7.524 1.00 0.00 C ATOM 0 H LEU A 65 -7.279 -6.590 8.386 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.015 -7.125 9.308 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.141 -6.442 6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.289 -7.754 6.708 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.862 -5.146 8.070 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.964 -4.316 6.028 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.207 -4.493 5.806 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.317 -5.704 5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -13.184 -5.805 7.570 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.586 -7.252 6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.319 -7.069 8.475 1.00 0.00 H new ATOM 1040 N PHE A 66 -9.470 -9.531 9.237 1.00 0.00 N ATOM 1041 CA PHE A 66 -9.120 -10.946 9.285 1.00 0.00 C ATOM 1042 C PHE A 66 -9.761 -11.705 8.126 1.00 0.00 C ATOM 1043 O PHE A 66 -10.908 -12.145 8.218 1.00 0.00 O ATOM 1044 CB PHE A 66 -9.562 -11.558 10.616 1.00 0.00 C ATOM 1045 CG PHE A 66 -8.928 -12.888 10.904 1.00 0.00 C ATOM 1046 CD1 PHE A 66 -9.145 -13.970 10.066 1.00 0.00 C ATOM 1047 CD2 PHE A 66 -8.116 -13.058 12.014 1.00 0.00 C ATOM 1048 CE1 PHE A 66 -8.563 -15.196 10.328 1.00 0.00 C ATOM 1049 CE2 PHE A 66 -7.531 -14.281 12.281 1.00 0.00 C ATOM 1050 CZ PHE A 66 -7.755 -15.352 11.438 1.00 0.00 C ATOM 0 H PHE A 66 -10.256 -9.271 9.832 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.037 -11.029 9.196 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.319 -10.867 11.423 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.646 -11.675 10.611 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.777 -13.854 9.198 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.938 -12.225 12.678 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.740 -16.031 9.666 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.899 -14.399 13.149 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.300 -16.309 11.646 1.00 0.00 H new ATOM 1060 N CYS A 67 -9.014 -11.852 7.038 1.00 0.00 N ATOM 1061 CA CYS A 67 -9.509 -12.556 5.860 1.00 0.00 C ATOM 1062 C CYS A 67 -9.338 -14.063 6.016 1.00 0.00 C ATOM 1063 O CYS A 67 -8.297 -14.537 6.470 1.00 0.00 O ATOM 1064 CB CYS A 67 -8.775 -12.074 4.608 1.00 0.00 C ATOM 1065 SG CYS A 67 -8.953 -10.304 4.283 1.00 0.00 S ATOM 0 H CYS A 67 -8.064 -11.493 6.947 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.572 -12.338 5.756 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.715 -12.309 4.708 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.145 -12.630 3.746 1.00 0.00 H new ATOM 0 HG CYS A 67 -8.681 -9.635 5.364 1.00 0.00 H new ATOM 1071 N VAL A 68 -10.369 -14.812 5.638 1.00 0.00 N ATOM 1072 CA VAL A 68 -10.334 -16.267 5.736 1.00 0.00 C ATOM 1073 C VAL A 68 -11.236 -16.910 4.689 1.00 0.00 C ATOM 1074 O VAL A 68 -12.428 -16.611 4.612 1.00 0.00 O ATOM 1075 CB VAL A 68 -10.768 -16.745 7.134 1.00 0.00 C ATOM 1076 CG1 VAL A 68 -12.256 -16.508 7.343 1.00 0.00 C ATOM 1077 CG2 VAL A 68 -10.422 -18.214 7.325 1.00 0.00 C ATOM 0 H VAL A 68 -11.239 -14.436 5.261 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.302 -16.572 5.559 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.225 -16.166 7.881 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -12.543 -16.852 8.336 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.471 -15.443 7.252 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -12.821 -17.058 6.591 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.736 -18.535 8.318 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -10.937 -18.810 6.571 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.345 -18.351 7.222 1.00 0.00 H new ATOM 1087 N HIS A 69 -10.659 -17.796 3.882 1.00 0.00 N ATOM 1088 CA HIS A 69 -11.411 -18.483 2.839 1.00 0.00 C ATOM 1089 C HIS A 69 -11.524 -19.974 3.143 1.00 0.00 C ATOM 1090 O HIS A 69 -10.530 -20.634 3.440 1.00 0.00 O ATOM 1091 CB HIS A 69 -10.743 -18.277 1.479 1.00 0.00 C ATOM 1092 CG HIS A 69 -11.311 -19.141 0.396 1.00 0.00 C ATOM 1093 ND1 HIS A 69 -11.129 -20.507 0.349 1.00 0.00 N ATOM 1094 CD2 HIS A 69 -12.063 -18.826 -0.685 1.00 0.00 C ATOM 1095 CE1 HIS A 69 -11.743 -20.995 -0.715 1.00 0.00 C ATOM 1096 NE2 HIS A 69 -12.317 -19.995 -1.359 1.00 0.00 N ATOM 0 H HIS A 69 -9.673 -18.054 3.931 1.00 0.00 H new ATOM 0 HA HIS A 69 -12.415 -18.059 2.810 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.844 -17.231 1.189 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.676 -18.480 1.573 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -12.400 -17.839 -0.965 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -11.771 -22.034 -1.008 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -12.861 -20.078 -2.218 1.00 0.00 H new ATOM 1105 N GLY A 70 -12.744 -20.498 3.067 1.00 0.00 N ATOM 1106 CA GLY A 70 -12.964 -21.907 3.338 1.00 0.00 C ATOM 1107 C GLY A 70 -14.431 -22.285 3.282 1.00 0.00 C ATOM 1108 O GLY A 70 -15.237 -21.791 4.071 1.00 0.00 O ATOM 0 H GLY A 70 -13.583 -19.972 2.823 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.410 -22.504 2.614 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -12.566 -22.151 4.323 1.00 0.00 H new ATOM 1112 N ASP A 71 -14.779 -23.163 2.348 1.00 0.00 N ATOM 1113 CA ASP A 71 -16.159 -23.607 2.192 1.00 0.00 C ATOM 1114 C ASP A 71 -16.564 -24.533 3.334 1.00 0.00 C ATOM 1115 O ASP A 71 -17.716 -24.536 3.766 1.00 0.00 O ATOM 1116 CB ASP A 71 -16.339 -24.321 0.851 1.00 0.00 C ATOM 1117 CG ASP A 71 -17.600 -25.162 0.808 1.00 0.00 C ATOM 1118 OD1 ASP A 71 -18.703 -24.576 0.775 1.00 0.00 O ATOM 1119 OD2 ASP A 71 -17.485 -26.405 0.805 1.00 0.00 O ATOM 0 H ASP A 71 -14.124 -23.581 1.687 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.803 -22.728 2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -16.371 -23.582 0.051 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.474 -24.958 0.663 1.00 0.00 H new ATOM 1124 N GLY A 72 -15.608 -25.320 3.819 1.00 0.00 N ATOM 1125 CA GLY A 72 -15.885 -26.241 4.906 1.00 0.00 C ATOM 1126 C GLY A 72 -14.876 -27.369 4.982 1.00 0.00 C ATOM 1127 O GLY A 72 -15.240 -28.523 5.215 1.00 0.00 O ATOM 0 H GLY A 72 -14.647 -25.336 3.478 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -15.886 -25.695 5.849 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.884 -26.659 4.778 1.00 0.00 H new ATOM 1131 N HIS A 73 -13.604 -27.038 4.783 1.00 0.00 N ATOM 1132 CA HIS A 73 -12.539 -28.033 4.829 1.00 0.00 C ATOM 1133 C HIS A 73 -11.182 -27.367 5.039 1.00 0.00 C ATOM 1134 O HIS A 73 -10.800 -26.468 4.291 1.00 0.00 O ATOM 1135 CB HIS A 73 -12.524 -28.854 3.540 1.00 0.00 C ATOM 1136 CG HIS A 73 -13.348 -30.103 3.615 1.00 0.00 C ATOM 1137 ND1 HIS A 73 -14.006 -30.668 4.653 1.00 0.00 N flip ATOM 1138 CD2 HIS A 73 -13.568 -30.926 2.530 1.00 0.00 C flip ATOM 1139 CE1 HIS A 73 -14.607 -31.809 4.183 1.00 0.00 C flip ATOM 1140 NE2 HIS A 73 -14.327 -31.942 2.899 1.00 0.00 N flip ATOM 0 H HIS A 73 -13.286 -26.089 4.588 1.00 0.00 H new ATOM 0 HA HIS A 73 -12.732 -28.697 5.671 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -12.891 -28.235 2.721 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -11.495 -29.122 3.301 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -14.048 -30.312 5.608 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -13.180 -30.765 1.535 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -15.210 -32.487 4.768 1.00 0.00 H new ATOM 1149 N ALA A 74 -10.460 -27.816 6.060 1.00 0.00 N ATOM 1150 CA ALA A 74 -9.146 -27.264 6.367 1.00 0.00 C ATOM 1151 C ALA A 74 -8.261 -27.232 5.125 1.00 0.00 C ATOM 1152 O ALA A 74 -7.432 -26.337 4.967 1.00 0.00 O ATOM 1153 CB ALA A 74 -8.480 -28.071 7.472 1.00 0.00 C ATOM 0 H ALA A 74 -10.762 -28.560 6.689 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.281 -26.239 6.712 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.500 -27.648 7.691 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.098 -28.039 8.369 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.365 -29.105 7.148 1.00 0.00 H new ATOM 1159 N GLU A 75 -8.442 -28.215 4.249 1.00 0.00 N ATOM 1160 CA GLU A 75 -7.658 -28.299 3.023 1.00 0.00 C ATOM 1161 C GLU A 75 -7.708 -26.982 2.254 1.00 0.00 C ATOM 1162 O GLU A 75 -6.681 -26.472 1.808 1.00 0.00 O ATOM 1163 CB GLU A 75 -8.172 -29.438 2.139 1.00 0.00 C ATOM 1164 CG GLU A 75 -7.813 -30.820 2.658 1.00 0.00 C ATOM 1165 CD GLU A 75 -8.218 -31.925 1.702 1.00 0.00 C ATOM 1166 OE1 GLU A 75 -7.408 -32.271 0.817 1.00 0.00 O ATOM 1167 OE2 GLU A 75 -9.345 -32.445 1.840 1.00 0.00 O ATOM 0 H GLU A 75 -9.124 -28.964 4.366 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.623 -28.501 3.298 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.256 -29.361 2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.765 -29.319 1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.738 -30.871 2.832 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.300 -30.980 3.620 1.00 0.00 H new ATOM 1174 N ASN A 76 -8.911 -26.437 2.102 1.00 0.00 N ATOM 1175 CA ASN A 76 -9.097 -25.180 1.386 1.00 0.00 C ATOM 1176 C ASN A 76 -9.133 -24.003 2.355 1.00 0.00 C ATOM 1177 O ASN A 76 -9.048 -22.844 1.945 1.00 0.00 O ATOM 1178 CB ASN A 76 -10.388 -25.222 0.567 1.00 0.00 C ATOM 1179 CG ASN A 76 -11.462 -26.069 1.222 1.00 0.00 C ATOM 1180 OD1 ASN A 76 -11.581 -27.263 0.944 1.00 0.00 O ATOM 1181 ND2 ASN A 76 -12.249 -25.454 2.097 1.00 0.00 N ATOM 0 H ASN A 76 -9.772 -26.846 2.465 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.252 -25.046 0.711 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.762 -24.207 0.431 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.172 -25.617 -0.426 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.989 -25.973 2.570 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.114 -24.463 2.296 1.00 0.00 H new ATOM 1188 N LEU A 77 -9.261 -24.307 3.642 1.00 0.00 N ATOM 1189 CA LEU A 77 -9.308 -23.274 4.671 1.00 0.00 C ATOM 1190 C LEU A 77 -7.973 -22.543 4.771 1.00 0.00 C ATOM 1191 O LEU A 77 -6.924 -23.165 4.936 1.00 0.00 O ATOM 1192 CB LEU A 77 -9.668 -23.890 6.024 1.00 0.00 C ATOM 1193 CG LEU A 77 -10.286 -22.941 7.051 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -11.793 -22.860 6.863 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -9.947 -23.390 8.465 1.00 0.00 C ATOM 0 H LEU A 77 -9.334 -25.260 3.998 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.076 -22.553 4.391 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.364 -24.711 5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.765 -24.322 6.456 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.867 -21.947 6.897 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.216 -22.180 7.603 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.015 -22.491 5.862 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.229 -23.851 6.990 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.395 -22.703 9.182 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.338 -24.394 8.631 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.865 -23.396 8.595 1.00 0.00 H new ATOM 1207 N VAL A 78 -8.021 -21.218 4.672 1.00 0.00 N ATOM 1208 CA VAL A 78 -6.816 -20.401 4.754 1.00 0.00 C ATOM 1209 C VAL A 78 -7.084 -19.100 5.502 1.00 0.00 C ATOM 1210 O VAL A 78 -7.947 -18.315 5.110 1.00 0.00 O ATOM 1211 CB VAL A 78 -6.264 -20.073 3.355 1.00 0.00 C ATOM 1212 CG1 VAL A 78 -5.022 -19.201 3.462 1.00 0.00 C ATOM 1213 CG2 VAL A 78 -5.963 -21.351 2.587 1.00 0.00 C ATOM 0 H VAL A 78 -8.881 -20.688 4.535 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.075 -20.984 5.300 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.024 -19.517 2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.646 -18.979 2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.274 -18.270 3.970 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.255 -19.728 4.030 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.574 -21.100 1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.222 -21.936 3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.877 -21.934 2.478 1.00 0.00 H new ATOM 1223 N GLN A 79 -6.337 -18.878 6.579 1.00 0.00 N ATOM 1224 CA GLN A 79 -6.495 -17.670 7.381 1.00 0.00 C ATOM 1225 C GLN A 79 -5.309 -16.731 7.189 1.00 0.00 C ATOM 1226 O GLN A 79 -4.154 -17.150 7.262 1.00 0.00 O ATOM 1227 CB GLN A 79 -6.641 -18.031 8.860 1.00 0.00 C ATOM 1228 CG GLN A 79 -7.935 -18.761 9.183 1.00 0.00 C ATOM 1229 CD GLN A 79 -7.796 -19.699 10.366 1.00 0.00 C ATOM 1230 OE1 GLN A 79 -7.104 -19.394 11.338 1.00 0.00 O ATOM 1231 NE2 GLN A 79 -8.455 -20.850 10.290 1.00 0.00 N ATOM 0 H GLN A 79 -5.618 -19.518 6.916 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.398 -17.158 7.048 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.798 -18.654 9.158 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.590 -17.119 9.455 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.717 -18.031 9.393 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.255 -19.329 8.309 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.017 -21.062 9.466 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.399 -21.521 11.056 1.00 0.00 H new ATOM 1240 N TRP A 80 -5.603 -15.459 6.944 1.00 0.00 N ATOM 1241 CA TRP A 80 -4.560 -14.460 6.741 1.00 0.00 C ATOM 1242 C TRP A 80 -5.067 -13.065 7.091 1.00 0.00 C ATOM 1243 O TRP A 80 -6.215 -12.724 6.807 1.00 0.00 O ATOM 1244 CB TRP A 80 -4.070 -14.490 5.293 1.00 0.00 C ATOM 1245 CG TRP A 80 -5.024 -13.850 4.330 1.00 0.00 C ATOM 1246 CD1 TRP A 80 -4.984 -12.566 3.868 1.00 0.00 C ATOM 1247 CD2 TRP A 80 -6.160 -14.466 3.713 1.00 0.00 C ATOM 1248 NE1 TRP A 80 -6.027 -12.345 3.001 1.00 0.00 N ATOM 1249 CE2 TRP A 80 -6.763 -13.495 2.888 1.00 0.00 C ATOM 1250 CE3 TRP A 80 -6.726 -15.742 3.776 1.00 0.00 C ATOM 1251 CZ2 TRP A 80 -7.903 -13.764 2.135 1.00 0.00 C ATOM 1252 CZ3 TRP A 80 -7.857 -16.006 3.027 1.00 0.00 C ATOM 1253 CH2 TRP A 80 -8.436 -15.021 2.215 1.00 0.00 C ATOM 0 H TRP A 80 -6.554 -15.095 6.881 1.00 0.00 H new ATOM 0 HA TRP A 80 -3.728 -14.700 7.403 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.108 -13.982 5.232 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.903 -15.525 4.995 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -4.242 -11.832 4.143 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.222 -11.467 2.520 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.288 -16.508 4.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.351 -13.006 1.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.303 -16.989 3.068 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.320 -15.259 1.642 1.00 0.00 H new ATOM 1264 N GLU A 81 -4.205 -12.263 7.707 1.00 0.00 N ATOM 1265 CA GLU A 81 -4.568 -10.905 8.095 1.00 0.00 C ATOM 1266 C GLU A 81 -4.168 -9.905 7.014 1.00 0.00 C ATOM 1267 O GLU A 81 -3.020 -9.880 6.571 1.00 0.00 O ATOM 1268 CB GLU A 81 -3.900 -10.533 9.421 1.00 0.00 C ATOM 1269 CG GLU A 81 -4.502 -11.240 10.624 1.00 0.00 C ATOM 1270 CD GLU A 81 -3.663 -11.075 11.877 1.00 0.00 C ATOM 1271 OE1 GLU A 81 -2.672 -11.820 12.029 1.00 0.00 O ATOM 1272 OE2 GLU A 81 -3.997 -10.202 12.704 1.00 0.00 O ATOM 0 H GLU A 81 -3.251 -12.530 7.948 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.650 -10.867 8.219 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.838 -10.772 9.363 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.977 -9.456 9.567 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.503 -10.849 10.807 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.610 -12.301 10.401 1.00 0.00 H new ATOM 1279 N MET A 82 -5.124 -9.083 6.594 1.00 0.00 N ATOM 1280 CA MET A 82 -4.872 -8.080 5.565 1.00 0.00 C ATOM 1281 C MET A 82 -4.738 -6.691 6.181 1.00 0.00 C ATOM 1282 O MET A 82 -5.735 -6.053 6.517 1.00 0.00 O ATOM 1283 CB MET A 82 -5.999 -8.086 4.531 1.00 0.00 C ATOM 1284 CG MET A 82 -5.763 -9.051 3.380 1.00 0.00 C ATOM 1285 SD MET A 82 -4.857 -8.297 2.016 1.00 0.00 S ATOM 1286 CE MET A 82 -6.207 -7.714 0.994 1.00 0.00 C ATOM 0 H MET A 82 -6.080 -9.091 6.950 1.00 0.00 H new ATOM 0 HA MET A 82 -3.934 -8.330 5.070 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.934 -8.346 5.027 1.00 0.00 H new ATOM 0 HB3 MET A 82 -6.120 -7.079 4.131 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.209 -9.916 3.744 1.00 0.00 H new ATOM 0 HG3 MET A 82 -6.723 -9.417 3.015 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.806 -7.222 0.108 1.00 0.00 H new ATOM 0 HE2 MET A 82 -6.826 -8.559 0.692 1.00 0.00 H new ATOM 0 HE3 MET A 82 -6.812 -7.005 1.560 1.00 0.00 H new ATOM 1296 N GLU A 83 -3.499 -6.230 6.326 1.00 0.00 N ATOM 1297 CA GLU A 83 -3.237 -4.917 6.903 1.00 0.00 C ATOM 1298 C GLU A 83 -2.928 -3.895 5.812 1.00 0.00 C ATOM 1299 O GLU A 83 -2.258 -4.205 4.827 1.00 0.00 O ATOM 1300 CB GLU A 83 -2.070 -4.993 7.891 1.00 0.00 C ATOM 1301 CG GLU A 83 -1.853 -3.711 8.676 1.00 0.00 C ATOM 1302 CD GLU A 83 -1.114 -2.655 7.877 1.00 0.00 C ATOM 1303 OE1 GLU A 83 -0.244 -3.029 7.064 1.00 0.00 O ATOM 1304 OE2 GLU A 83 -1.406 -1.455 8.066 1.00 0.00 O ATOM 0 H GLU A 83 -2.663 -6.746 6.052 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.133 -4.596 7.434 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.249 -5.811 8.589 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.158 -5.234 7.345 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -2.818 -3.314 8.990 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.290 -3.935 9.582 1.00 0.00 H new ATOM 1311 N VAL A 84 -3.423 -2.675 5.995 1.00 0.00 N ATOM 1312 CA VAL A 84 -3.200 -1.607 5.028 1.00 0.00 C ATOM 1313 C VAL A 84 -2.241 -0.558 5.579 1.00 0.00 C ATOM 1314 O VAL A 84 -2.625 0.285 6.390 1.00 0.00 O ATOM 1315 CB VAL A 84 -4.522 -0.922 4.635 1.00 0.00 C ATOM 1316 CG1 VAL A 84 -4.269 0.189 3.627 1.00 0.00 C ATOM 1317 CG2 VAL A 84 -5.507 -1.941 4.081 1.00 0.00 C ATOM 0 H VAL A 84 -3.981 -2.402 6.804 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.760 -2.067 4.143 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.959 -0.477 5.529 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.215 0.661 3.361 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.602 0.932 4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.808 -0.230 2.732 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.435 -1.439 3.809 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.080 -2.418 3.199 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.712 -2.698 4.838 1.00 0.00 H new ATOM 1327 N CYS A 85 -0.991 -0.615 5.132 1.00 0.00 N ATOM 1328 CA CYS A 85 0.025 0.330 5.580 1.00 0.00 C ATOM 1329 C CYS A 85 0.297 1.384 4.511 1.00 0.00 C ATOM 1330 O CYS A 85 0.122 1.134 3.319 1.00 0.00 O ATOM 1331 CB CYS A 85 1.319 -0.406 5.928 1.00 0.00 C ATOM 1332 SG CYS A 85 2.417 0.511 7.034 1.00 0.00 S ATOM 0 H CYS A 85 -0.657 -1.306 4.460 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.350 0.832 6.472 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.068 -1.360 6.392 1.00 0.00 H new ATOM 0 HB3 CYS A 85 1.855 -0.631 5.006 1.00 0.00 H new ATOM 0 HG CYS A 85 3.483 -0.195 7.271 1.00 0.00 H new ATOM 1338 N LYS A 86 0.724 2.564 4.947 1.00 0.00 N ATOM 1339 CA LYS A 86 1.020 3.657 4.028 1.00 0.00 C ATOM 1340 C LYS A 86 2.525 3.806 3.827 1.00 0.00 C ATOM 1341 O LYS A 86 3.300 3.734 4.782 1.00 0.00 O ATOM 1342 CB LYS A 86 0.434 4.968 4.557 1.00 0.00 C ATOM 1343 CG LYS A 86 0.720 6.165 3.667 1.00 0.00 C ATOM 1344 CD LYS A 86 -0.125 6.137 2.405 1.00 0.00 C ATOM 1345 CE LYS A 86 0.014 7.427 1.612 1.00 0.00 C ATOM 1346 NZ LYS A 86 -0.873 8.500 2.139 1.00 0.00 N ATOM 0 H LYS A 86 0.873 2.788 5.931 1.00 0.00 H new ATOM 0 HA LYS A 86 0.564 3.424 3.066 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.645 4.856 4.666 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.836 5.161 5.551 1.00 0.00 H new ATOM 0 HG2 LYS A 86 0.522 7.084 4.218 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.776 6.175 3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.175 5.293 1.784 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.171 5.982 2.670 1.00 0.00 H new ATOM 0 HE2 LYS A 86 1.050 7.764 1.645 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.227 7.238 0.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.749 9.363 1.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.864 8.189 2.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.627 8.699 3.130 1.00 0.00 H new ATOM 1360 N LEU A 87 2.932 4.016 2.580 1.00 0.00 N ATOM 1361 CA LEU A 87 4.345 4.177 2.254 1.00 0.00 C ATOM 1362 C LEU A 87 4.597 5.517 1.571 1.00 0.00 C ATOM 1363 O LEU A 87 4.503 5.647 0.350 1.00 0.00 O ATOM 1364 CB LEU A 87 4.813 3.035 1.350 1.00 0.00 C ATOM 1365 CG LEU A 87 4.713 1.628 1.939 1.00 0.00 C ATOM 1366 CD1 LEU A 87 4.973 0.580 0.868 1.00 0.00 C ATOM 1367 CD2 LEU A 87 5.688 1.463 3.096 1.00 0.00 C ATOM 0 H LEU A 87 2.304 4.079 1.778 1.00 0.00 H new ATOM 0 HA LEU A 87 4.912 4.152 3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.229 3.064 0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.851 3.219 1.075 1.00 0.00 H new ATOM 0 HG LEU A 87 3.701 1.486 2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.897 -0.415 1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.236 0.683 0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.973 0.720 0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.603 0.455 3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.705 1.626 2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.455 2.189 3.875 1.00 0.00 H new ATOM 1379 N PRO A 88 4.926 6.539 2.375 1.00 0.00 N ATOM 1380 CA PRO A 88 5.201 7.887 1.870 1.00 0.00 C ATOM 1381 C PRO A 88 6.506 7.957 1.084 1.00 0.00 C ATOM 1382 O PRO A 88 6.860 9.004 0.542 1.00 0.00 O ATOM 1383 CB PRO A 88 5.299 8.730 3.144 1.00 0.00 C ATOM 1384 CG PRO A 88 5.698 7.766 4.207 1.00 0.00 C ATOM 1385 CD PRO A 88 5.056 6.456 3.839 1.00 0.00 C ATOM 0 HA PRO A 88 4.432 8.226 1.176 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.035 9.527 3.036 1.00 0.00 H new ATOM 0 HB3 PRO A 88 4.347 9.206 3.378 1.00 0.00 H new ATOM 0 HG2 PRO A 88 6.782 7.668 4.259 1.00 0.00 H new ATOM 0 HG3 PRO A 88 5.361 8.104 5.187 1.00 0.00 H new ATOM 0 HD2 PRO A 88 5.671 5.608 4.140 1.00 0.00 H new ATOM 0 HD3 PRO A 88 4.087 6.334 4.322 1.00 0.00 H new ATOM 1393 N ARG A 89 7.218 6.836 1.026 1.00 0.00 N ATOM 1394 CA ARG A 89 8.484 6.770 0.307 1.00 0.00 C ATOM 1395 C ARG A 89 8.250 6.600 -1.191 1.00 0.00 C ATOM 1396 O ARG A 89 9.002 7.128 -2.012 1.00 0.00 O ATOM 1397 CB ARG A 89 9.336 5.615 0.836 1.00 0.00 C ATOM 1398 CG ARG A 89 8.642 4.265 0.766 1.00 0.00 C ATOM 1399 CD ARG A 89 9.647 3.123 0.732 1.00 0.00 C ATOM 1400 NE ARG A 89 10.023 2.686 2.074 1.00 0.00 N ATOM 1401 CZ ARG A 89 11.095 1.944 2.331 1.00 0.00 C ATOM 1402 NH1 ARG A 89 11.892 1.559 1.343 1.00 0.00 N ATOM 1403 NH2 ARG A 89 11.371 1.586 3.578 1.00 0.00 N ATOM 0 H ARG A 89 6.939 5.961 1.469 1.00 0.00 H new ATOM 0 HA ARG A 89 9.015 7.708 0.470 1.00 0.00 H new ATOM 0 HB2 ARG A 89 10.263 5.567 0.265 1.00 0.00 H new ATOM 0 HB3 ARG A 89 9.609 5.820 1.871 1.00 0.00 H new ATOM 0 HG2 ARG A 89 7.985 4.147 1.628 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.013 4.224 -0.123 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.223 2.283 0.183 1.00 0.00 H new ATOM 0 HD3 ARG A 89 10.538 3.440 0.191 1.00 0.00 H new ATOM 0 HE ARG A 89 9.431 2.965 2.856 1.00 0.00 H new ATOM 0 HH11 ARG A 89 11.683 1.832 0.383 1.00 0.00 H new ATOM 0 HH12 ARG A 89 12.714 0.990 1.543 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.760 1.880 4.340 1.00 0.00 H new ATOM 0 HH22 ARG A 89 12.194 1.016 3.775 1.00 0.00 H new ATOM 1417 N LEU A 90 7.205 5.859 -1.541 1.00 0.00 N ATOM 1418 CA LEU A 90 6.871 5.618 -2.940 1.00 0.00 C ATOM 1419 C LEU A 90 5.480 6.149 -3.268 1.00 0.00 C ATOM 1420 O LEU A 90 4.887 5.783 -4.283 1.00 0.00 O ATOM 1421 CB LEU A 90 6.945 4.122 -3.253 1.00 0.00 C ATOM 1422 CG LEU A 90 8.282 3.440 -2.957 1.00 0.00 C ATOM 1423 CD1 LEU A 90 8.109 1.930 -2.900 1.00 0.00 C ATOM 1424 CD2 LEU A 90 9.318 3.821 -4.005 1.00 0.00 C ATOM 0 H LEU A 90 6.574 5.414 -0.875 1.00 0.00 H new ATOM 0 HA LEU A 90 7.597 6.148 -3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.167 3.613 -2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.713 3.980 -4.309 1.00 0.00 H new ATOM 0 HG LEU A 90 8.636 3.782 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 90 9.070 1.461 -2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.400 1.674 -2.113 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.733 1.570 -3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.263 3.327 -3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.971 3.508 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.463 4.901 -3.998 1.00 0.00 H new ATOM 1436 N SER A 91 4.964 7.017 -2.403 1.00 0.00 N ATOM 1437 CA SER A 91 3.641 7.598 -2.600 1.00 0.00 C ATOM 1438 C SER A 91 2.633 6.528 -3.007 1.00 0.00 C ATOM 1439 O SER A 91 1.649 6.814 -3.690 1.00 0.00 O ATOM 1440 CB SER A 91 3.696 8.695 -3.664 1.00 0.00 C ATOM 1441 OG SER A 91 4.019 9.949 -3.088 1.00 0.00 O ATOM 0 H SER A 91 5.442 7.333 -1.559 1.00 0.00 H new ATOM 0 HA SER A 91 3.319 8.035 -1.655 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.438 8.436 -4.419 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.734 8.762 -4.172 1.00 0.00 H new ATOM 0 HG SER A 91 4.050 10.633 -3.789 1.00 0.00 H new ATOM 1447 N LEU A 92 2.886 5.294 -2.584 1.00 0.00 N ATOM 1448 CA LEU A 92 2.001 4.180 -2.904 1.00 0.00 C ATOM 1449 C LEU A 92 1.893 3.215 -1.728 1.00 0.00 C ATOM 1450 O LEU A 92 2.896 2.682 -1.255 1.00 0.00 O ATOM 1451 CB LEU A 92 2.510 3.438 -4.142 1.00 0.00 C ATOM 1452 CG LEU A 92 1.990 3.942 -5.488 1.00 0.00 C ATOM 1453 CD1 LEU A 92 2.776 3.319 -6.631 1.00 0.00 C ATOM 1454 CD2 LEU A 92 0.506 3.642 -5.633 1.00 0.00 C ATOM 0 H LEU A 92 3.696 5.040 -2.019 1.00 0.00 H new ATOM 0 HA LEU A 92 1.010 4.584 -3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.599 3.493 -4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.245 2.385 -4.044 1.00 0.00 H new ATOM 0 HG LEU A 92 2.127 5.023 -5.527 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.392 3.690 -7.581 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.829 3.586 -6.537 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.672 2.235 -6.596 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.153 4.008 -6.597 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.345 2.566 -5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.045 4.137 -4.833 1.00 0.00 H new ATOM 1466 N ASN A 93 0.668 2.994 -1.261 1.00 0.00 N ATOM 1467 CA ASN A 93 0.428 2.092 -0.141 1.00 0.00 C ATOM 1468 C ASN A 93 1.004 0.707 -0.424 1.00 0.00 C ATOM 1469 O ASN A 93 1.421 0.414 -1.544 1.00 0.00 O ATOM 1470 CB ASN A 93 -1.071 1.984 0.143 1.00 0.00 C ATOM 1471 CG ASN A 93 -1.475 0.597 0.604 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -1.648 -0.315 -0.346 1.00 0.00 O flip ATOM 1473 ND2 ASN A 93 -1.629 0.349 1.800 1.00 0.00 N flip ATOM 0 H ASN A 93 -0.173 3.427 -1.641 1.00 0.00 H new ATOM 0 HA ASN A 93 0.928 2.502 0.736 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.347 2.712 0.906 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.628 2.241 -0.758 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -1.485 1.081 2.495 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -1.900 -0.589 2.096 1.00 0.00 H new ATOM 1480 N GLY A 94 1.023 -0.141 0.600 1.00 0.00 N ATOM 1481 CA GLY A 94 1.548 -1.484 0.441 1.00 0.00 C ATOM 1482 C GLY A 94 0.708 -2.524 1.156 1.00 0.00 C ATOM 1483 O GLY A 94 0.567 -2.485 2.378 1.00 0.00 O ATOM 0 H GLY A 94 0.684 0.079 1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.597 -1.728 -0.620 1.00 0.00 H new ATOM 0 HA3 GLY A 94 2.568 -1.520 0.824 1.00 0.00 H new ATOM 1487 N VAL A 95 0.148 -3.457 0.392 1.00 0.00 N ATOM 1488 CA VAL A 95 -0.684 -4.511 0.960 1.00 0.00 C ATOM 1489 C VAL A 95 0.085 -5.825 1.056 1.00 0.00 C ATOM 1490 O VAL A 95 0.450 -6.418 0.041 1.00 0.00 O ATOM 1491 CB VAL A 95 -1.957 -4.734 0.122 1.00 0.00 C ATOM 1492 CG1 VAL A 95 -2.930 -5.641 0.861 1.00 0.00 C ATOM 1493 CG2 VAL A 95 -2.610 -3.403 -0.219 1.00 0.00 C ATOM 0 H VAL A 95 0.255 -3.504 -0.621 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.969 -4.186 1.960 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.677 -5.224 -0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.823 -5.787 0.254 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.457 -6.605 1.049 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.207 -5.181 1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.508 -3.579 -0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.878 -2.883 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.912 -2.791 -0.791 1.00 0.00 H new ATOM 1503 N ARG A 96 0.326 -6.274 2.283 1.00 0.00 N ATOM 1504 CA ARG A 96 1.052 -7.517 2.513 1.00 0.00 C ATOM 1505 C ARG A 96 0.104 -8.624 2.965 1.00 0.00 C ATOM 1506 O ARG A 96 -0.950 -8.356 3.541 1.00 0.00 O ATOM 1507 CB ARG A 96 2.146 -7.308 3.561 1.00 0.00 C ATOM 1508 CG ARG A 96 1.610 -7.100 4.968 1.00 0.00 C ATOM 1509 CD ARG A 96 2.723 -6.749 5.943 1.00 0.00 C ATOM 1510 NE ARG A 96 3.015 -5.318 5.948 1.00 0.00 N ATOM 1511 CZ ARG A 96 3.673 -4.706 6.926 1.00 0.00 C ATOM 1512 NH1 ARG A 96 4.105 -5.396 7.972 1.00 0.00 N ATOM 1513 NH2 ARG A 96 3.900 -3.400 6.859 1.00 0.00 N ATOM 0 H ARG A 96 0.029 -5.795 3.133 1.00 0.00 H new ATOM 0 HA ARG A 96 1.513 -7.818 1.572 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.810 -8.173 3.558 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.747 -6.444 3.279 1.00 0.00 H new ATOM 0 HG2 ARG A 96 0.866 -6.303 4.961 1.00 0.00 H new ATOM 0 HG3 ARG A 96 1.104 -8.005 5.303 1.00 0.00 H new ATOM 0 HD2 ARG A 96 2.438 -7.064 6.947 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.624 -7.302 5.679 1.00 0.00 H new ATOM 0 HE ARG A 96 2.696 -4.758 5.157 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.932 -6.400 8.027 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.610 -4.923 8.722 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.569 -2.865 6.056 1.00 0.00 H new ATOM 0 HH22 ARG A 96 4.405 -2.931 7.611 1.00 0.00 H new ATOM 1527 N PHE A 97 0.487 -9.869 2.699 1.00 0.00 N ATOM 1528 CA PHE A 97 -0.329 -11.017 3.077 1.00 0.00 C ATOM 1529 C PHE A 97 0.417 -11.914 4.061 1.00 0.00 C ATOM 1530 O PHE A 97 1.494 -12.427 3.757 1.00 0.00 O ATOM 1531 CB PHE A 97 -0.723 -11.820 1.836 1.00 0.00 C ATOM 1532 CG PHE A 97 -1.919 -11.263 1.117 1.00 0.00 C ATOM 1533 CD1 PHE A 97 -1.926 -9.952 0.669 1.00 0.00 C ATOM 1534 CD2 PHE A 97 -3.036 -12.050 0.891 1.00 0.00 C ATOM 1535 CE1 PHE A 97 -3.025 -9.437 0.007 1.00 0.00 C ATOM 1536 CE2 PHE A 97 -4.138 -11.541 0.229 1.00 0.00 C ATOM 1537 CZ PHE A 97 -4.132 -10.232 -0.212 1.00 0.00 C ATOM 0 H PHE A 97 1.357 -10.108 2.223 1.00 0.00 H new ATOM 0 HA PHE A 97 -1.231 -10.646 3.563 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.123 -11.850 1.149 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.932 -12.849 2.130 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.063 -9.325 0.839 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.046 -13.073 1.236 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.017 -8.414 -0.338 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.002 -12.166 0.057 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.992 -9.831 -0.727 1.00 0.00 H new ATOM 1547 N LYS A 98 -0.163 -12.098 5.242 1.00 0.00 N ATOM 1548 CA LYS A 98 0.444 -12.933 6.271 1.00 0.00 C ATOM 1549 C LYS A 98 -0.335 -14.233 6.447 1.00 0.00 C ATOM 1550 O LYS A 98 -1.536 -14.216 6.719 1.00 0.00 O ATOM 1551 CB LYS A 98 0.502 -12.177 7.601 1.00 0.00 C ATOM 1552 CG LYS A 98 0.768 -13.073 8.798 1.00 0.00 C ATOM 1553 CD LYS A 98 0.831 -12.274 10.089 1.00 0.00 C ATOM 1554 CE LYS A 98 0.503 -13.139 11.297 1.00 0.00 C ATOM 1555 NZ LYS A 98 1.615 -14.072 11.629 1.00 0.00 N ATOM 0 H LYS A 98 -1.054 -11.679 5.510 1.00 0.00 H new ATOM 0 HA LYS A 98 1.458 -13.178 5.954 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.283 -11.419 7.545 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.441 -11.652 7.753 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.017 -13.825 8.872 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.707 -13.606 8.653 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.827 -11.847 10.206 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.131 -11.440 10.037 1.00 0.00 H new ATOM 0 HE2 LYS A 98 0.296 -12.500 12.156 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -0.404 -13.711 11.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.353 -14.644 12.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.796 -14.699 10.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.474 -13.526 11.843 1.00 0.00 H new ATOM 1569 N ARG A 99 0.356 -15.357 6.291 1.00 0.00 N ATOM 1570 CA ARG A 99 -0.271 -16.666 6.432 1.00 0.00 C ATOM 1571 C ARG A 99 -0.347 -17.076 7.900 1.00 0.00 C ATOM 1572 O ARG A 99 0.674 -17.347 8.532 1.00 0.00 O ATOM 1573 CB ARG A 99 0.506 -17.716 5.637 1.00 0.00 C ATOM 1574 CG ARG A 99 -0.189 -19.066 5.569 1.00 0.00 C ATOM 1575 CD ARG A 99 0.471 -19.982 4.550 1.00 0.00 C ATOM 1576 NE ARG A 99 1.644 -20.657 5.100 1.00 0.00 N ATOM 1577 CZ ARG A 99 2.649 -21.105 4.356 1.00 0.00 C ATOM 1578 NH1 ARG A 99 2.624 -20.951 3.039 1.00 0.00 N ATOM 1579 NH2 ARG A 99 3.682 -21.709 4.929 1.00 0.00 N ATOM 0 H ARG A 99 1.351 -15.388 6.067 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.285 -16.600 6.038 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.665 -17.348 4.624 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.490 -17.846 6.088 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -0.167 -19.537 6.552 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -1.237 -18.924 5.307 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.250 -20.726 4.211 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.764 -19.400 3.676 1.00 0.00 H new ATOM 0 HE ARG A 99 1.694 -20.792 6.110 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.831 -20.487 2.595 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.397 -21.296 2.470 1.00 0.00 H new ATOM 0 HH21 ARG A 99 3.705 -21.830 5.942 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.453 -22.053 4.357 1.00 0.00 H new ATOM 1593 N ILE A 100 -1.563 -17.119 8.435 1.00 0.00 N ATOM 1594 CA ILE A 100 -1.772 -17.496 9.827 1.00 0.00 C ATOM 1595 C ILE A 100 -1.893 -19.009 9.974 1.00 0.00 C ATOM 1596 O ILE A 100 -1.302 -19.605 10.874 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.034 -16.832 10.407 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -2.800 -15.335 10.616 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -3.430 -17.500 11.716 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -4.050 -14.575 10.999 1.00 0.00 C ATOM 0 H ILE A 100 -2.418 -16.897 7.925 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.901 -17.148 10.383 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.851 -16.956 9.696 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.049 -15.198 11.394 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.392 -14.908 9.700 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.324 -17.020 12.114 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.634 -18.556 11.538 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.616 -17.404 12.434 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.809 -13.520 11.131 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.796 -14.681 10.211 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.448 -14.975 11.931 1.00 0.00 H new ATOM 1612 N SER A 101 -2.662 -19.625 9.082 1.00 0.00 N ATOM 1613 CA SER A 101 -2.863 -21.069 9.113 1.00 0.00 C ATOM 1614 C SER A 101 -3.323 -21.583 7.752 1.00 0.00 C ATOM 1615 O SER A 101 -3.718 -20.806 6.883 1.00 0.00 O ATOM 1616 CB SER A 101 -3.891 -21.439 10.184 1.00 0.00 C ATOM 1617 OG SER A 101 -3.362 -21.249 11.485 1.00 0.00 O ATOM 0 H SER A 101 -3.156 -19.147 8.329 1.00 0.00 H new ATOM 0 HA SER A 101 -1.910 -21.538 9.356 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.786 -20.830 10.059 1.00 0.00 H new ATOM 0 HB3 SER A 101 -4.193 -22.479 10.059 1.00 0.00 H new ATOM 0 HG SER A 101 -2.520 -20.751 11.426 1.00 0.00 H new ATOM 1623 N GLY A 102 -3.269 -22.900 7.574 1.00 0.00 N ATOM 1624 CA GLY A 102 -3.683 -23.496 6.317 1.00 0.00 C ATOM 1625 C GLY A 102 -2.506 -23.859 5.433 1.00 0.00 C ATOM 1626 O GLY A 102 -1.359 -23.544 5.752 1.00 0.00 O ATOM 0 H GLY A 102 -2.946 -23.564 8.278 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.272 -24.391 6.519 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.332 -22.801 5.785 1.00 0.00 H new ATOM 1630 N THR A 103 -2.789 -24.526 4.318 1.00 0.00 N ATOM 1631 CA THR A 103 -1.746 -24.935 3.387 1.00 0.00 C ATOM 1632 C THR A 103 -1.313 -23.773 2.501 1.00 0.00 C ATOM 1633 O THR A 103 -2.123 -22.917 2.144 1.00 0.00 O ATOM 1634 CB THR A 103 -2.215 -26.099 2.494 1.00 0.00 C ATOM 1635 OG1 THR A 103 -3.355 -25.699 1.726 1.00 0.00 O ATOM 1636 CG2 THR A 103 -2.565 -27.318 3.334 1.00 0.00 C ATOM 0 H THR A 103 -3.733 -24.794 4.038 1.00 0.00 H new ATOM 0 HA THR A 103 -0.899 -25.266 3.988 1.00 0.00 H new ATOM 0 HB THR A 103 -1.399 -26.363 1.821 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.646 -26.444 1.160 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.894 -28.127 2.682 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.687 -27.638 3.895 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.366 -27.064 4.028 1.00 0.00 H new ATOM 1644 N SER A 104 -0.032 -23.748 2.148 1.00 0.00 N ATOM 1645 CA SER A 104 0.509 -22.688 1.306 1.00 0.00 C ATOM 1646 C SER A 104 -0.226 -22.626 -0.029 1.00 0.00 C ATOM 1647 O SER A 104 -0.671 -21.560 -0.456 1.00 0.00 O ATOM 1648 CB SER A 104 2.004 -22.910 1.067 1.00 0.00 C ATOM 1649 OG SER A 104 2.601 -23.581 2.163 1.00 0.00 O ATOM 0 H SER A 104 0.651 -24.450 2.432 1.00 0.00 H new ATOM 0 HA SER A 104 0.368 -21.739 1.824 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.147 -23.493 0.157 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.497 -21.950 0.911 1.00 0.00 H new ATOM 0 HG SER A 104 3.556 -23.713 1.985 1.00 0.00 H new ATOM 1655 N ILE A 105 -0.351 -23.776 -0.682 1.00 0.00 N ATOM 1656 CA ILE A 105 -1.033 -23.854 -1.968 1.00 0.00 C ATOM 1657 C ILE A 105 -2.247 -22.931 -2.003 1.00 0.00 C ATOM 1658 O ILE A 105 -2.287 -21.972 -2.773 1.00 0.00 O ATOM 1659 CB ILE A 105 -1.488 -25.293 -2.278 1.00 0.00 C ATOM 1660 CG1 ILE A 105 -0.275 -26.190 -2.536 1.00 0.00 C ATOM 1661 CG2 ILE A 105 -2.427 -25.305 -3.475 1.00 0.00 C ATOM 1662 CD1 ILE A 105 0.719 -25.596 -3.509 1.00 0.00 C ATOM 0 H ILE A 105 0.011 -24.667 -0.342 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.316 -23.537 -2.725 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.027 -25.682 -1.414 1.00 0.00 H new ATOM 0 HG12 ILE A 105 0.229 -26.387 -1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.619 -27.150 -2.921 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.740 -26.328 -3.682 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.303 -24.695 -3.256 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.911 -24.900 -4.346 1.00 0.00 H new ATOM 0 HD11 ILE A 105 1.552 -26.286 -3.644 1.00 0.00 H new ATOM 0 HD12 ILE A 105 0.231 -25.424 -4.468 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.091 -24.650 -3.117 1.00 0.00 H new ATOM 1674 N ALA A 106 -3.233 -23.227 -1.163 1.00 0.00 N ATOM 1675 CA ALA A 106 -4.446 -22.422 -1.095 1.00 0.00 C ATOM 1676 C ALA A 106 -4.117 -20.955 -0.839 1.00 0.00 C ATOM 1677 O ALA A 106 -4.681 -20.062 -1.472 1.00 0.00 O ATOM 1678 CB ALA A 106 -5.373 -22.954 -0.012 1.00 0.00 C ATOM 0 H ALA A 106 -3.215 -24.019 -0.520 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.953 -22.491 -2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.275 -22.343 0.027 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.643 -23.985 -0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.866 -22.915 0.952 1.00 0.00 H new ATOM 1684 N PHE A 107 -3.202 -20.712 0.093 1.00 0.00 N ATOM 1685 CA PHE A 107 -2.799 -19.353 0.434 1.00 0.00 C ATOM 1686 C PHE A 107 -2.541 -18.530 -0.825 1.00 0.00 C ATOM 1687 O PHE A 107 -3.038 -17.412 -0.963 1.00 0.00 O ATOM 1688 CB PHE A 107 -1.544 -19.374 1.309 1.00 0.00 C ATOM 1689 CG PHE A 107 -1.185 -18.030 1.876 1.00 0.00 C ATOM 1690 CD1 PHE A 107 -1.865 -17.521 2.970 1.00 0.00 C ATOM 1691 CD2 PHE A 107 -0.169 -17.276 1.313 1.00 0.00 C ATOM 1692 CE1 PHE A 107 -1.537 -16.284 3.494 1.00 0.00 C ATOM 1693 CE2 PHE A 107 0.164 -16.039 1.832 1.00 0.00 C ATOM 1694 CZ PHE A 107 -0.522 -15.542 2.923 1.00 0.00 C ATOM 0 H PHE A 107 -2.725 -21.439 0.626 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.613 -18.889 0.990 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.694 -20.077 2.129 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.706 -19.746 0.719 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.661 -18.097 3.419 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.369 -17.659 0.459 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.074 -15.899 4.348 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.960 -15.462 1.385 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.265 -14.575 3.329 1.00 0.00 H new ATOM 1704 N LYS A 108 -1.760 -19.091 -1.741 1.00 0.00 N ATOM 1705 CA LYS A 108 -1.434 -18.413 -2.990 1.00 0.00 C ATOM 1706 C LYS A 108 -2.585 -18.523 -3.985 1.00 0.00 C ATOM 1707 O LYS A 108 -3.049 -17.520 -4.525 1.00 0.00 O ATOM 1708 CB LYS A 108 -0.161 -19.004 -3.599 1.00 0.00 C ATOM 1709 CG LYS A 108 1.095 -18.694 -2.802 1.00 0.00 C ATOM 1710 CD LYS A 108 2.134 -19.793 -2.950 1.00 0.00 C ATOM 1711 CE LYS A 108 2.967 -19.607 -4.208 1.00 0.00 C ATOM 1712 NZ LYS A 108 3.883 -18.438 -4.100 1.00 0.00 N ATOM 0 H LYS A 108 -1.340 -20.015 -1.642 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.267 -17.359 -2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.274 -20.085 -3.677 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -0.042 -18.622 -4.613 1.00 0.00 H new ATOM 0 HG2 LYS A 108 1.516 -17.746 -3.138 1.00 0.00 H new ATOM 0 HG3 LYS A 108 0.839 -18.573 -1.749 1.00 0.00 H new ATOM 0 HD2 LYS A 108 2.787 -19.797 -2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.637 -20.763 -2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 108 3.550 -20.509 -4.394 1.00 0.00 H new ATOM 0 HE3 LYS A 108 2.306 -19.472 -5.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 4.651 -18.533 -4.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 3.353 -17.563 -4.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 4.286 -18.400 -3.142 1.00 0.00 H new ATOM 1726 N ASN A 109 -3.042 -19.748 -4.220 1.00 0.00 N ATOM 1727 CA ASN A 109 -4.140 -19.989 -5.150 1.00 0.00 C ATOM 1728 C ASN A 109 -5.223 -18.925 -5.000 1.00 0.00 C ATOM 1729 O ASN A 109 -5.787 -18.455 -5.988 1.00 0.00 O ATOM 1730 CB ASN A 109 -4.738 -21.378 -4.917 1.00 0.00 C ATOM 1731 CG ASN A 109 -4.041 -22.451 -5.731 1.00 0.00 C ATOM 1732 OD1 ASN A 109 -3.089 -23.139 -5.110 1.00 0.00 O flip ATOM 1733 ND2 ASN A 109 -4.354 -22.659 -6.903 1.00 0.00 N flip ATOM 0 H ASN A 109 -2.670 -20.589 -3.780 1.00 0.00 H new ATOM 0 HA ASN A 109 -3.743 -19.937 -6.164 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.670 -21.627 -3.858 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.797 -21.362 -5.173 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -5.092 -22.106 -7.340 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -3.876 -23.384 -7.438 1.00 0.00 H new ATOM 1740 N ILE A 110 -5.508 -18.551 -3.757 1.00 0.00 N ATOM 1741 CA ILE A 110 -6.522 -17.541 -3.478 1.00 0.00 C ATOM 1742 C ILE A 110 -5.939 -16.136 -3.572 1.00 0.00 C ATOM 1743 O ILE A 110 -6.642 -15.182 -3.905 1.00 0.00 O ATOM 1744 CB ILE A 110 -7.141 -17.736 -2.081 1.00 0.00 C ATOM 1745 CG1 ILE A 110 -8.293 -16.752 -1.867 1.00 0.00 C ATOM 1746 CG2 ILE A 110 -6.081 -17.561 -1.003 1.00 0.00 C ATOM 1747 CD1 ILE A 110 -9.458 -16.973 -2.806 1.00 0.00 C ATOM 0 H ILE A 110 -5.052 -18.932 -2.928 1.00 0.00 H new ATOM 0 HA ILE A 110 -7.301 -17.659 -4.231 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.537 -18.749 -2.014 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.645 -16.835 -0.839 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -7.921 -15.736 -1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.534 -17.702 -0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.290 -18.298 -1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.659 -16.558 -1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.237 -16.240 -2.597 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.121 -16.861 -3.837 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.856 -17.977 -2.662 1.00 0.00 H new ATOM 1759 N ALA A 111 -4.649 -16.015 -3.278 1.00 0.00 N ATOM 1760 CA ALA A 111 -3.970 -14.727 -3.333 1.00 0.00 C ATOM 1761 C ALA A 111 -3.972 -14.165 -4.751 1.00 0.00 C ATOM 1762 O ALA A 111 -4.025 -12.951 -4.948 1.00 0.00 O ATOM 1763 CB ALA A 111 -2.544 -14.859 -2.818 1.00 0.00 C ATOM 0 H ALA A 111 -4.053 -16.794 -2.999 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.513 -14.031 -2.693 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.049 -13.889 -2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.561 -15.208 -1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -1.999 -15.574 -3.434 1.00 0.00 H new ATOM 1769 N SER A 112 -3.913 -15.056 -5.735 1.00 0.00 N ATOM 1770 CA SER A 112 -3.904 -14.649 -7.135 1.00 0.00 C ATOM 1771 C SER A 112 -5.170 -13.873 -7.484 1.00 0.00 C ATOM 1772 O SER A 112 -5.115 -12.833 -8.141 1.00 0.00 O ATOM 1773 CB SER A 112 -3.776 -15.873 -8.044 1.00 0.00 C ATOM 1774 OG SER A 112 -3.786 -15.497 -9.410 1.00 0.00 O ATOM 0 H SER A 112 -3.871 -16.065 -5.589 1.00 0.00 H new ATOM 0 HA SER A 112 -3.044 -13.997 -7.292 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.852 -16.404 -7.816 1.00 0.00 H new ATOM 0 HB3 SER A 112 -4.596 -16.563 -7.848 1.00 0.00 H new ATOM 0 HG SER A 112 -3.702 -16.297 -9.970 1.00 0.00 H new ATOM 1780 N LYS A 113 -6.312 -14.386 -7.038 1.00 0.00 N ATOM 1781 CA LYS A 113 -7.594 -13.743 -7.300 1.00 0.00 C ATOM 1782 C LYS A 113 -7.677 -12.390 -6.600 1.00 0.00 C ATOM 1783 O LYS A 113 -7.769 -11.349 -7.251 1.00 0.00 O ATOM 1784 CB LYS A 113 -8.743 -14.641 -6.835 1.00 0.00 C ATOM 1785 CG LYS A 113 -8.615 -16.081 -7.300 1.00 0.00 C ATOM 1786 CD LYS A 113 -9.293 -16.296 -8.643 1.00 0.00 C ATOM 1787 CE LYS A 113 -8.331 -16.061 -9.797 1.00 0.00 C ATOM 1788 NZ LYS A 113 -9.033 -16.042 -11.110 1.00 0.00 N ATOM 0 H LYS A 113 -6.376 -15.246 -6.493 1.00 0.00 H new ATOM 0 HA LYS A 113 -7.679 -13.582 -8.375 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -8.790 -14.622 -5.746 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.684 -14.232 -7.202 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -7.561 -16.347 -7.377 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -9.058 -16.745 -6.557 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -9.685 -17.312 -8.696 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -10.144 -15.621 -8.734 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -7.811 -15.114 -9.649 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -7.572 -16.844 -9.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -8.343 -15.879 -11.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -9.508 -16.954 -11.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -9.740 -15.279 -11.115 1.00 0.00 H new ATOM 1802 N ILE A 114 -7.644 -12.413 -5.272 1.00 0.00 N ATOM 1803 CA ILE A 114 -7.713 -11.188 -4.486 1.00 0.00 C ATOM 1804 C ILE A 114 -6.887 -10.077 -5.125 1.00 0.00 C ATOM 1805 O ILE A 114 -7.372 -8.963 -5.323 1.00 0.00 O ATOM 1806 CB ILE A 114 -7.218 -11.415 -3.045 1.00 0.00 C ATOM 1807 CG1 ILE A 114 -8.045 -12.508 -2.366 1.00 0.00 C ATOM 1808 CG2 ILE A 114 -7.288 -10.120 -2.250 1.00 0.00 C ATOM 1809 CD1 ILE A 114 -9.504 -12.145 -2.195 1.00 0.00 C ATOM 0 H ILE A 114 -7.570 -13.266 -4.718 1.00 0.00 H new ATOM 0 HA ILE A 114 -8.761 -10.889 -4.459 1.00 0.00 H new ATOM 0 HB ILE A 114 -6.178 -11.740 -3.081 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.973 -13.424 -2.953 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -7.615 -12.722 -1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -6.935 -10.297 -1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.661 -9.366 -2.726 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.319 -9.767 -2.219 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -10.029 -12.966 -1.707 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.586 -11.247 -1.583 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.950 -11.960 -3.172 1.00 0.00 H new ATOM 1821 N ALA A 115 -5.635 -10.388 -5.448 1.00 0.00 N ATOM 1822 CA ALA A 115 -4.743 -9.417 -6.068 1.00 0.00 C ATOM 1823 C ALA A 115 -5.303 -8.929 -7.400 1.00 0.00 C ATOM 1824 O ALA A 115 -5.606 -7.747 -7.561 1.00 0.00 O ATOM 1825 CB ALA A 115 -3.360 -10.022 -6.265 1.00 0.00 C ATOM 0 H ALA A 115 -5.217 -11.305 -5.290 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.661 -8.558 -5.402 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -2.704 -9.286 -6.729 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.950 -10.315 -5.299 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.435 -10.898 -6.909 1.00 0.00 H new ATOM 1831 N ASN A 116 -5.438 -9.847 -8.352 1.00 0.00 N ATOM 1832 CA ASN A 116 -5.961 -9.509 -9.671 1.00 0.00 C ATOM 1833 C ASN A 116 -7.195 -8.620 -9.555 1.00 0.00 C ATOM 1834 O ASN A 116 -7.278 -7.570 -10.192 1.00 0.00 O ATOM 1835 CB ASN A 116 -6.306 -10.781 -10.447 1.00 0.00 C ATOM 1836 CG ASN A 116 -5.086 -11.418 -11.084 1.00 0.00 C ATOM 1837 OD1 ASN A 116 -4.270 -10.738 -11.707 1.00 0.00 O ATOM 1838 ND2 ASN A 116 -4.956 -12.731 -10.931 1.00 0.00 N ATOM 0 H ASN A 116 -5.193 -10.830 -8.235 1.00 0.00 H new ATOM 0 HA ASN A 116 -5.189 -8.960 -10.211 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.777 -11.497 -9.774 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -7.035 -10.544 -11.222 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -4.156 -13.215 -11.338 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -5.657 -13.255 -10.407 1.00 0.00 H new ATOM 1845 N GLU A 117 -8.152 -9.048 -8.737 1.00 0.00 N ATOM 1846 CA GLU A 117 -9.382 -8.291 -8.538 1.00 0.00 C ATOM 1847 C GLU A 117 -9.079 -6.884 -8.032 1.00 0.00 C ATOM 1848 O GLU A 117 -9.639 -5.902 -8.521 1.00 0.00 O ATOM 1849 CB GLU A 117 -10.298 -9.015 -7.549 1.00 0.00 C ATOM 1850 CG GLU A 117 -10.715 -10.402 -8.008 1.00 0.00 C ATOM 1851 CD GLU A 117 -11.231 -10.414 -9.434 1.00 0.00 C ATOM 1852 OE1 GLU A 117 -12.275 -9.779 -9.693 1.00 0.00 O ATOM 1853 OE2 GLU A 117 -10.591 -11.059 -10.291 1.00 0.00 O ATOM 0 H GLU A 117 -8.099 -9.915 -8.202 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.889 -8.211 -9.500 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -9.789 -9.097 -6.589 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.191 -8.412 -7.386 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.864 -11.078 -7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.489 -10.784 -7.342 1.00 0.00 H new ATOM 1860 N LEU A 118 -8.190 -6.794 -7.048 1.00 0.00 N ATOM 1861 CA LEU A 118 -7.812 -5.508 -6.474 1.00 0.00 C ATOM 1862 C LEU A 118 -6.812 -4.784 -7.371 1.00 0.00 C ATOM 1863 O LEU A 118 -6.387 -3.668 -7.071 1.00 0.00 O ATOM 1864 CB LEU A 118 -7.213 -5.706 -5.080 1.00 0.00 C ATOM 1865 CG LEU A 118 -8.205 -5.696 -3.916 1.00 0.00 C ATOM 1866 CD1 LEU A 118 -7.697 -6.564 -2.775 1.00 0.00 C ATOM 1867 CD2 LEU A 118 -8.452 -4.273 -3.437 1.00 0.00 C ATOM 0 H LEU A 118 -7.718 -7.597 -6.632 1.00 0.00 H new ATOM 0 HA LEU A 118 -8.710 -4.896 -6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.678 -6.656 -5.068 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.475 -4.923 -4.909 1.00 0.00 H new ATOM 0 HG LEU A 118 -9.151 -6.109 -4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.416 -6.545 -1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.573 -7.589 -3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.738 -6.181 -2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.160 -4.286 -2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -7.512 -3.833 -3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -8.861 -3.680 -4.255 1.00 0.00 H new ATOM 1879 N LYS A 119 -6.443 -5.425 -8.474 1.00 0.00 N ATOM 1880 CA LYS A 119 -5.496 -4.842 -9.418 1.00 0.00 C ATOM 1881 C LYS A 119 -4.185 -4.487 -8.724 1.00 0.00 C ATOM 1882 O LYS A 119 -3.654 -3.390 -8.901 1.00 0.00 O ATOM 1883 CB LYS A 119 -6.096 -3.593 -10.067 1.00 0.00 C ATOM 1884 CG LYS A 119 -7.022 -3.898 -11.232 1.00 0.00 C ATOM 1885 CD LYS A 119 -8.428 -4.225 -10.756 1.00 0.00 C ATOM 1886 CE LYS A 119 -9.473 -3.820 -11.784 1.00 0.00 C ATOM 1887 NZ LYS A 119 -10.754 -4.554 -11.591 1.00 0.00 N ATOM 0 H LYS A 119 -6.785 -6.349 -8.737 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.289 -5.582 -10.191 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.647 -3.031 -9.313 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.287 -2.951 -10.415 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -7.055 -3.042 -11.906 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -6.626 -4.738 -11.803 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -8.507 -5.294 -10.557 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -8.623 -3.711 -9.815 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -9.655 -2.748 -11.714 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -9.091 -4.014 -12.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -11.440 -4.250 -12.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -10.586 -5.576 -11.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -11.132 -4.349 -10.644 1.00 0.00 H new ATOM 1901 N LEU A 120 -3.666 -5.422 -7.936 1.00 0.00 N ATOM 1902 CA LEU A 120 -2.415 -5.209 -7.217 1.00 0.00 C ATOM 1903 C LEU A 120 -1.253 -5.892 -7.930 1.00 0.00 C ATOM 1904 O LEU A 120 -1.428 -6.485 -8.995 1.00 0.00 O ATOM 1905 CB LEU A 120 -2.530 -5.736 -5.785 1.00 0.00 C ATOM 1906 CG LEU A 120 -3.845 -5.438 -5.064 1.00 0.00 C ATOM 1907 CD1 LEU A 120 -3.989 -6.316 -3.831 1.00 0.00 C ATOM 1908 CD2 LEU A 120 -3.923 -3.966 -4.684 1.00 0.00 C ATOM 0 H LEU A 120 -4.092 -6.335 -7.779 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.220 -4.137 -7.189 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.386 -6.816 -5.804 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.713 -5.316 -5.198 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.668 -5.662 -5.743 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.931 -6.090 -3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -3.979 -7.365 -4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -3.161 -6.124 -3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.865 -3.772 -4.172 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -3.093 -3.716 -4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.867 -3.354 -5.584 1.00 0.00 H new ATOM 1920 N SER A 121 -0.068 -5.808 -7.335 1.00 0.00 N ATOM 1921 CA SER A 121 1.124 -6.417 -7.915 1.00 0.00 C ATOM 1922 C SER A 121 0.876 -7.885 -8.248 1.00 0.00 C ATOM 1923 O SER A 121 -0.247 -8.376 -8.143 1.00 0.00 O ATOM 1924 CB SER A 121 2.306 -6.293 -6.951 1.00 0.00 C ATOM 1925 OG SER A 121 2.964 -5.048 -7.109 1.00 0.00 O ATOM 0 H SER A 121 0.093 -5.324 -6.452 1.00 0.00 H new ATOM 0 HA SER A 121 1.360 -5.888 -8.838 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.954 -6.394 -5.924 1.00 0.00 H new ATOM 0 HB3 SER A 121 3.011 -7.105 -7.128 1.00 0.00 H new ATOM 0 HG SER A 121 3.714 -4.992 -6.481 1.00 0.00 H new ATOM 1931 N GLY A 122 1.935 -8.581 -8.650 1.00 0.00 N ATOM 1932 CA GLY A 122 1.813 -9.986 -8.992 1.00 0.00 C ATOM 1933 C GLY A 122 3.135 -10.722 -8.900 1.00 0.00 C ATOM 1934 O GLY A 122 3.768 -11.033 -9.909 1.00 0.00 O ATOM 0 H GLY A 122 2.875 -8.197 -8.745 1.00 0.00 H new ATOM 0 HA2 GLY A 122 1.091 -10.458 -8.325 1.00 0.00 H new ATOM 0 HA3 GLY A 122 1.419 -10.078 -10.004 1.00 0.00 H new ATOM 1938 N PRO A 123 3.571 -11.011 -7.665 1.00 0.00 N ATOM 1939 CA PRO A 123 4.831 -11.718 -7.416 1.00 0.00 C ATOM 1940 C PRO A 123 4.770 -13.181 -7.843 1.00 0.00 C ATOM 1941 O PRO A 123 5.781 -13.883 -7.831 1.00 0.00 O ATOM 1942 CB PRO A 123 5.004 -11.610 -5.899 1.00 0.00 C ATOM 1943 CG PRO A 123 3.621 -11.445 -5.371 1.00 0.00 C ATOM 1944 CD PRO A 123 2.868 -10.671 -6.417 1.00 0.00 C ATOM 0 HA PRO A 123 5.657 -11.291 -7.985 1.00 0.00 H new ATOM 0 HB2 PRO A 123 5.480 -12.501 -5.490 1.00 0.00 H new ATOM 0 HB3 PRO A 123 5.634 -10.761 -5.632 1.00 0.00 H new ATOM 0 HG2 PRO A 123 3.154 -12.413 -5.191 1.00 0.00 H new ATOM 0 HG3 PRO A 123 3.627 -10.912 -4.420 1.00 0.00 H new ATOM 0 HD2 PRO A 123 1.818 -10.963 -6.455 1.00 0.00 H new ATOM 0 HD3 PRO A 123 2.894 -9.599 -6.220 1.00 0.00 H new ATOM 1952 N SER A 124 3.578 -13.633 -8.220 1.00 0.00 N ATOM 1953 CA SER A 124 3.385 -15.014 -8.648 1.00 0.00 C ATOM 1954 C SER A 124 4.558 -15.487 -9.501 1.00 0.00 C ATOM 1955 O SER A 124 5.219 -14.689 -10.165 1.00 0.00 O ATOM 1956 CB SER A 124 2.080 -15.148 -9.434 1.00 0.00 C ATOM 1957 OG SER A 124 2.208 -14.596 -10.733 1.00 0.00 O ATOM 0 H SER A 124 2.732 -13.064 -8.238 1.00 0.00 H new ATOM 0 HA SER A 124 3.330 -15.641 -7.758 1.00 0.00 H new ATOM 0 HB2 SER A 124 1.803 -16.200 -9.508 1.00 0.00 H new ATOM 0 HB3 SER A 124 1.276 -14.643 -8.899 1.00 0.00 H new ATOM 0 HG SER A 124 1.361 -14.696 -11.216 1.00 0.00 H new ATOM 1963 N SER A 125 4.809 -16.792 -9.478 1.00 0.00 N ATOM 1964 CA SER A 125 5.904 -17.373 -10.246 1.00 0.00 C ATOM 1965 C SER A 125 5.370 -18.254 -11.372 1.00 0.00 C ATOM 1966 O SER A 125 4.355 -18.931 -11.217 1.00 0.00 O ATOM 1967 CB SER A 125 6.818 -18.192 -9.332 1.00 0.00 C ATOM 1968 OG SER A 125 7.851 -17.387 -8.790 1.00 0.00 O ATOM 0 H SER A 125 4.269 -17.467 -8.936 1.00 0.00 H new ATOM 0 HA SER A 125 6.479 -16.558 -10.687 1.00 0.00 H new ATOM 0 HB2 SER A 125 6.232 -18.630 -8.524 1.00 0.00 H new ATOM 0 HB3 SER A 125 7.253 -19.018 -9.894 1.00 0.00 H new ATOM 0 HG SER A 125 8.689 -17.894 -8.779 1.00 0.00 H new ATOM 1974 N GLY A 126 6.064 -18.240 -12.506 1.00 0.00 N ATOM 1975 CA GLY A 126 5.646 -19.040 -13.642 1.00 0.00 C ATOM 1976 C GLY A 126 6.739 -19.971 -14.129 1.00 0.00 C ATOM 1977 O GLY A 126 6.934 -21.053 -13.577 1.00 0.00 O ATOM 0 H GLY A 126 6.909 -17.689 -12.658 1.00 0.00 H new ATOM 0 HA2 GLY A 126 4.769 -19.626 -13.367 1.00 0.00 H new ATOM 0 HA3 GLY A 126 5.345 -18.380 -14.456 1.00 0.00 H new TER 1981 GLY A 126