USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 911 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 79 HIS : no HD1:sc= -0.973 K(o=-3.5,f=-6.2!) USER MOD Set 1.2: B 9 ASN :FLIP amide:sc= -2.49 F(o=-6.8!,f=-3.5) USER MOD Set 2.1: A 11 MET CE :methyl -149:sc= -0.116 (180deg=0) USER MOD Set 2.2: A 23 MET CE :methyl -177:sc= -0.0111 (180deg=-0.00938) USER MOD Set 3.1: A 5 SER OG : rot 180:sc= -0.864 USER MOD Set 3.2: A 33 GLN :FLIP amide:sc= -0.233 F(o=-11,f=-10) USER MOD Set 3.3: A 36 HIS :FLIP no HD1:sc= -9.26! C(o=-11!,f=-10!) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0941 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.171 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc=-5.63e-05 K(o=-5.6e-05,f=-1.7!) USER MOD Single : A 20 GLN : amide:sc= -0.691 X(o=-0.69,f=-1.1) USER MOD Single : A 21 LYS NZ :NH3+ -151:sc= -0.47 (180deg=-1.97) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl 159:sc=-0.00751 (180deg=-0.224) USER MOD Single : A 38 THR OG1 : rot 90:sc= -2.56! USER MOD Single : A 42 LYS NZ :NH3+ 157:sc= -1.57 (180deg=-2.07!) USER MOD Single : A 44 THR OG1 : rot 79:sc= -0.0232 USER MOD Single : A 46 MET CE :methyl -179:sc=-0.00682 (180deg=-0.00898) USER MOD Single : A 52 ASN : amide:sc= -8.97! C(o=-9!,f=-9.7!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.34 K(o=-0.34,f=-1.2) USER MOD Single : A 58 MET CE :methyl -110:sc= -6.39! (180deg=-12.8!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -108:sc= 1.16 (180deg=-0.628) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.529 X(o=-0.53,f=-0.08) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.0943 X(o=-0.094,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.786 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 47:sc= 0.0161 USER MOD Single : B 1 VAL N :NH3+ 168:sc= -0.0409 (180deg=-0.291) USER MOD Single : B 3 MET CE :methyl 155:sc= -0.358 (180deg=-1.52!) USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ -168:sc= -0.0148 (180deg=-0.323) USER MOD Single : B 7 SER OG : rot -101:sc= -3.28! USER MOD Single : B 14 TYR OH : rot 180:sc= -1.45! USER MOD Single : B 16 SER OG : rot 82:sc= -3.62! USER MOD Single : B 18 TYR OH : rot 180:sc= -0.115 USER MOD Single : B 19 SER OG : rot -64:sc= 1.13 USER MOD Single : B 20 SER OG : rot 85:sc= 0.959! USER MOD Single : B 21 SER OG : rot 180:sc=0.000789 USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.259 -16.450 -7.513 1.00 0.00 N ATOM 2 CA GLY A 1 8.452 -16.293 -8.982 1.00 0.00 C ATOM 3 C GLY A 1 7.723 -15.084 -9.540 1.00 0.00 C ATOM 4 O GLY A 1 7.119 -14.321 -8.786 1.00 0.00 O ATOM 0 H1 GLY A 1 9.182 -16.409 -7.035 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.651 -15.684 -7.159 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.809 -17.367 -7.318 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.517 -16.202 -9.197 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.100 -17.191 -9.489 1.00 0.00 H new ATOM 10 N PRO A 2 7.760 -14.883 -10.868 1.00 0.00 N ATOM 11 CA PRO A 2 7.091 -13.750 -11.514 1.00 0.00 C ATOM 12 C PRO A 2 5.572 -13.881 -11.484 1.00 0.00 C ATOM 13 O PRO A 2 4.857 -12.893 -11.315 1.00 0.00 O ATOM 14 CB PRO A 2 7.603 -13.807 -12.954 1.00 0.00 C ATOM 15 CG PRO A 2 7.966 -15.235 -13.170 1.00 0.00 C ATOM 16 CD PRO A 2 8.458 -15.744 -11.843 1.00 0.00 C ATOM 0 HA PRO A 2 7.306 -12.809 -11.009 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.838 -13.482 -13.659 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.464 -13.154 -13.094 1.00 0.00 H new ATOM 0 HG2 PRO A 2 7.105 -15.809 -13.513 1.00 0.00 H new ATOM 0 HG3 PRO A 2 8.737 -15.330 -13.934 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.211 -16.796 -11.699 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.541 -15.656 -11.755 1.00 0.00 H new ATOM 24 N LEU A 3 5.087 -15.107 -11.650 1.00 0.00 N ATOM 25 CA LEU A 3 3.651 -15.369 -11.642 1.00 0.00 C ATOM 26 C LEU A 3 3.163 -15.734 -10.242 1.00 0.00 C ATOM 27 O LEU A 3 2.059 -16.251 -10.077 1.00 0.00 O ATOM 28 CB LEU A 3 3.316 -16.495 -12.625 1.00 0.00 C ATOM 29 CG LEU A 3 2.599 -16.048 -13.902 1.00 0.00 C ATOM 30 CD1 LEU A 3 3.390 -16.463 -15.135 1.00 0.00 C ATOM 31 CD2 LEU A 3 1.190 -16.624 -13.954 1.00 0.00 C ATOM 0 H LEU A 3 5.666 -15.935 -11.792 1.00 0.00 H new ATOM 0 HA LEU A 3 3.140 -14.457 -11.951 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.241 -17.001 -12.904 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.693 -17.229 -12.114 1.00 0.00 H new ATOM 0 HG LEU A 3 2.527 -14.960 -13.890 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.864 -16.136 -16.032 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.378 -16.003 -15.106 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.496 -17.548 -15.151 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.696 -16.295 -14.868 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.241 -17.713 -13.940 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.623 -16.277 -13.090 1.00 0.00 H new ATOM 43 N GLY A 4 3.988 -15.461 -9.233 1.00 0.00 N ATOM 44 CA GLY A 4 3.611 -15.767 -7.868 1.00 0.00 C ATOM 45 C GLY A 4 2.660 -14.741 -7.287 1.00 0.00 C ATOM 46 O GLY A 4 1.682 -15.095 -6.627 1.00 0.00 O ATOM 0 H GLY A 4 4.908 -15.034 -9.339 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.144 -16.751 -7.835 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.507 -15.819 -7.250 1.00 0.00 H new ATOM 50 N SER A 5 2.944 -13.466 -7.534 1.00 0.00 N ATOM 51 CA SER A 5 2.103 -12.388 -7.030 1.00 0.00 C ATOM 52 C SER A 5 0.766 -12.349 -7.769 1.00 0.00 C ATOM 53 O SER A 5 0.695 -12.663 -8.958 1.00 0.00 O ATOM 54 CB SER A 5 2.818 -11.042 -7.173 1.00 0.00 C ATOM 55 OG SER A 5 2.082 -10.004 -6.553 1.00 0.00 O ATOM 0 H SER A 5 3.748 -13.155 -8.079 1.00 0.00 H new ATOM 0 HA SER A 5 1.909 -12.577 -5.974 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.810 -11.105 -6.726 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.958 -10.812 -8.229 1.00 0.00 H new ATOM 0 HG SER A 5 2.561 -9.156 -6.657 1.00 0.00 H new ATOM 61 N PRO A 6 -0.315 -11.965 -7.072 1.00 0.00 N ATOM 62 CA PRO A 6 -1.655 -11.889 -7.667 1.00 0.00 C ATOM 63 C PRO A 6 -1.668 -11.093 -8.970 1.00 0.00 C ATOM 64 O PRO A 6 -0.853 -10.190 -9.164 1.00 0.00 O ATOM 65 CB PRO A 6 -2.475 -11.173 -6.593 1.00 0.00 C ATOM 66 CG PRO A 6 -1.782 -11.492 -5.314 1.00 0.00 C ATOM 67 CD PRO A 6 -0.319 -11.575 -5.649 1.00 0.00 C ATOM 0 HA PRO A 6 -2.041 -12.873 -7.934 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -2.506 -10.098 -6.769 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -3.507 -11.524 -6.583 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.968 -10.722 -4.566 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -2.142 -12.433 -4.899 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.184 -10.621 -5.493 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.194 -12.311 -5.029 1.00 0.00 H new ATOM 75 N LEU A 7 -2.595 -11.436 -9.861 1.00 0.00 N ATOM 76 CA LEU A 7 -2.711 -10.756 -11.148 1.00 0.00 C ATOM 77 C LEU A 7 -3.633 -9.541 -11.048 1.00 0.00 C ATOM 78 O LEU A 7 -4.718 -9.612 -10.464 1.00 0.00 O ATOM 79 CB LEU A 7 -3.230 -11.722 -12.213 1.00 0.00 C ATOM 80 CG LEU A 7 -2.346 -11.858 -13.455 1.00 0.00 C ATOM 81 CD1 LEU A 7 -2.396 -10.586 -14.285 1.00 0.00 C ATOM 82 CD2 LEU A 7 -0.912 -12.181 -13.057 1.00 0.00 C ATOM 0 H LEU A 7 -3.277 -12.181 -9.715 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.719 -10.408 -11.435 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.348 -12.707 -11.761 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.221 -11.394 -12.526 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.727 -12.680 -14.061 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.762 -10.700 -15.164 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.422 -10.397 -14.600 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.040 -9.747 -13.687 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.298 -12.274 -13.953 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.520 -11.381 -12.430 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.891 -13.120 -12.503 1.00 0.00 H new ATOM 94 N THR A 8 -3.179 -8.422 -11.597 1.00 0.00 N ATOM 95 CA THR A 8 -3.937 -7.179 -11.536 1.00 0.00 C ATOM 96 C THR A 8 -4.920 -7.085 -12.687 1.00 0.00 C ATOM 97 O THR A 8 -6.017 -6.551 -12.529 1.00 0.00 O ATOM 98 CB THR A 8 -2.986 -5.977 -11.574 1.00 0.00 C ATOM 99 OG1 THR A 8 -2.315 -5.905 -12.821 1.00 0.00 O ATOM 100 CG2 THR A 8 -1.931 -6.008 -10.488 1.00 0.00 C ATOM 0 H THR A 8 -2.289 -8.349 -12.090 1.00 0.00 H new ATOM 0 HA THR A 8 -4.495 -7.171 -10.600 1.00 0.00 H new ATOM 0 HB THR A 8 -3.621 -5.106 -11.415 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.715 -5.130 -12.825 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.294 -5.128 -10.575 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.414 -6.011 -9.511 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.325 -6.907 -10.595 1.00 0.00 H new ATOM 108 N ALA A 9 -4.549 -7.626 -13.837 1.00 0.00 N ATOM 109 CA ALA A 9 -5.443 -7.610 -14.979 1.00 0.00 C ATOM 110 C ALA A 9 -6.733 -8.330 -14.619 1.00 0.00 C ATOM 111 O ALA A 9 -7.795 -7.713 -14.524 1.00 0.00 O ATOM 112 CB ALA A 9 -4.782 -8.258 -16.187 1.00 0.00 C ATOM 0 H ALA A 9 -3.648 -8.075 -14.001 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.673 -6.577 -15.240 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.469 -8.236 -17.033 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.874 -7.711 -16.442 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.529 -9.292 -15.952 1.00 0.00 H new ATOM 118 N SER A 10 -6.638 -9.643 -14.447 1.00 0.00 N ATOM 119 CA SER A 10 -7.809 -10.454 -14.130 1.00 0.00 C ATOM 120 C SER A 10 -8.499 -9.969 -12.860 1.00 0.00 C ATOM 121 O SER A 10 -9.708 -10.145 -12.707 1.00 0.00 O ATOM 122 CB SER A 10 -7.419 -11.924 -13.977 1.00 0.00 C ATOM 123 OG SER A 10 -6.516 -12.105 -12.902 1.00 0.00 O ATOM 0 H SER A 10 -5.767 -10.168 -14.521 1.00 0.00 H new ATOM 0 HA SER A 10 -8.509 -10.352 -14.959 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.313 -12.525 -13.809 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.964 -12.280 -14.901 1.00 0.00 H new ATOM 0 HG SER A 10 -6.285 -13.054 -12.826 1.00 0.00 H new ATOM 129 N MET A 11 -7.747 -9.341 -11.957 1.00 0.00 N ATOM 130 CA MET A 11 -8.333 -8.840 -10.721 1.00 0.00 C ATOM 131 C MET A 11 -9.372 -7.782 -11.039 1.00 0.00 C ATOM 132 O MET A 11 -10.492 -7.820 -10.530 1.00 0.00 O ATOM 133 CB MET A 11 -7.250 -8.255 -9.808 1.00 0.00 C ATOM 134 CG MET A 11 -6.806 -9.199 -8.704 1.00 0.00 C ATOM 135 SD MET A 11 -7.911 -9.165 -7.280 1.00 0.00 S ATOM 136 CE MET A 11 -8.510 -10.853 -7.279 1.00 0.00 C ATOM 0 H MET A 11 -6.746 -9.170 -12.058 1.00 0.00 H new ATOM 0 HA MET A 11 -8.811 -9.669 -10.200 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.384 -7.985 -10.413 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.624 -7.335 -9.359 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.756 -10.214 -9.097 1.00 0.00 H new ATOM 0 HG3 MET A 11 -5.799 -8.931 -8.385 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.526 -10.878 -6.885 1.00 0.00 H new ATOM 0 HE2 MET A 11 -8.506 -11.241 -8.298 1.00 0.00 H new ATOM 0 HE3 MET A 11 -7.863 -11.468 -6.654 1.00 0.00 H new ATOM 146 N LEU A 12 -9.002 -6.854 -11.898 1.00 0.00 N ATOM 147 CA LEU A 12 -9.917 -5.799 -12.300 1.00 0.00 C ATOM 148 C LEU A 12 -11.117 -6.400 -13.025 1.00 0.00 C ATOM 149 O LEU A 12 -12.257 -6.245 -12.587 1.00 0.00 O ATOM 150 CB LEU A 12 -9.206 -4.772 -13.192 1.00 0.00 C ATOM 151 CG LEU A 12 -9.560 -3.303 -12.914 1.00 0.00 C ATOM 152 CD1 LEU A 12 -10.859 -2.923 -13.607 1.00 0.00 C ATOM 153 CD2 LEU A 12 -9.667 -3.044 -11.416 1.00 0.00 C ATOM 0 H LEU A 12 -8.080 -6.806 -12.331 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.268 -5.282 -11.407 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.130 -4.897 -13.075 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.442 -4.995 -14.233 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.758 -2.683 -13.314 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.091 -1.879 -13.397 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.752 -3.062 -14.683 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.667 -3.556 -13.238 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.918 -1.997 -11.245 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.445 -3.678 -10.992 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.714 -3.271 -10.939 1.00 0.00 H new ATOM 165 N ALA A 13 -10.853 -7.098 -14.129 1.00 0.00 N ATOM 166 CA ALA A 13 -11.904 -7.742 -14.915 1.00 0.00 C ATOM 167 C ALA A 13 -12.510 -8.953 -14.199 1.00 0.00 C ATOM 168 O ALA A 13 -13.220 -9.751 -14.811 1.00 0.00 O ATOM 169 CB ALA A 13 -11.342 -8.178 -16.250 1.00 0.00 C ATOM 0 H ALA A 13 -9.913 -7.232 -14.501 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.700 -7.011 -15.055 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.126 -8.658 -16.836 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.968 -7.308 -16.789 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.526 -8.883 -16.089 1.00 0.00 H new ATOM 175 N SER A 14 -12.252 -9.070 -12.904 1.00 0.00 N ATOM 176 CA SER A 14 -12.799 -10.165 -12.108 1.00 0.00 C ATOM 177 C SER A 14 -14.166 -9.781 -11.552 1.00 0.00 C ATOM 178 O SER A 14 -15.076 -10.606 -11.480 1.00 0.00 O ATOM 179 CB SER A 14 -11.862 -10.528 -10.954 1.00 0.00 C ATOM 180 OG SER A 14 -12.299 -11.701 -10.289 1.00 0.00 O ATOM 0 H SER A 14 -11.667 -8.420 -12.379 1.00 0.00 H new ATOM 0 HA SER A 14 -12.902 -11.033 -12.759 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.852 -10.678 -11.335 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.816 -9.701 -10.246 1.00 0.00 H new ATOM 0 HG SER A 14 -11.682 -11.911 -9.557 1.00 0.00 H new ATOM 186 N ALA A 15 -14.290 -8.522 -11.135 1.00 0.00 N ATOM 187 CA ALA A 15 -15.533 -8.025 -10.557 1.00 0.00 C ATOM 188 C ALA A 15 -15.989 -6.727 -11.231 1.00 0.00 C ATOM 189 O ALA A 15 -16.026 -5.666 -10.607 1.00 0.00 O ATOM 190 CB ALA A 15 -15.347 -7.823 -9.061 1.00 0.00 C ATOM 0 H ALA A 15 -13.543 -7.829 -11.188 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.316 -8.764 -10.727 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.275 -7.451 -8.626 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.083 -8.773 -8.596 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.550 -7.100 -8.888 1.00 0.00 H new ATOM 196 N PRO A 16 -16.346 -6.803 -12.530 1.00 0.00 N ATOM 197 CA PRO A 16 -16.800 -5.651 -13.311 1.00 0.00 C ATOM 198 C PRO A 16 -17.753 -4.735 -12.539 1.00 0.00 C ATOM 199 O PRO A 16 -17.569 -3.518 -12.529 1.00 0.00 O ATOM 200 CB PRO A 16 -17.527 -6.276 -14.514 1.00 0.00 C ATOM 201 CG PRO A 16 -17.356 -7.763 -14.402 1.00 0.00 C ATOM 202 CD PRO A 16 -16.322 -8.024 -13.342 1.00 0.00 C ATOM 0 HA PRO A 16 -15.959 -5.014 -13.585 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.583 -6.007 -14.509 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -17.109 -5.909 -15.451 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -18.301 -8.238 -14.140 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.041 -8.185 -15.356 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.569 -8.905 -12.749 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.337 -8.198 -13.776 1.00 0.00 H new ATOM 210 N PRO A 17 -18.792 -5.302 -11.894 1.00 0.00 N ATOM 211 CA PRO A 17 -19.773 -4.520 -11.130 1.00 0.00 C ATOM 212 C PRO A 17 -19.118 -3.559 -10.140 1.00 0.00 C ATOM 213 O PRO A 17 -17.961 -3.181 -10.298 1.00 0.00 O ATOM 214 CB PRO A 17 -20.571 -5.586 -10.380 1.00 0.00 C ATOM 215 CG PRO A 17 -20.463 -6.803 -11.227 1.00 0.00 C ATOM 216 CD PRO A 17 -19.105 -6.745 -11.872 1.00 0.00 C ATOM 0 HA PRO A 17 -20.377 -3.888 -11.781 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -20.163 -5.759 -9.384 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.610 -5.285 -10.250 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -20.571 -7.706 -10.626 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.251 -6.825 -11.980 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -18.366 -7.307 -11.301 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -19.120 -7.167 -12.877 1.00 0.00 H new ATOM 224 N GLN A 18 -19.872 -3.171 -9.115 1.00 0.00 N ATOM 225 CA GLN A 18 -19.374 -2.246 -8.095 1.00 0.00 C ATOM 226 C GLN A 18 -18.058 -2.714 -7.488 1.00 0.00 C ATOM 227 O GLN A 18 -17.330 -1.918 -6.896 1.00 0.00 O ATOM 228 CB GLN A 18 -20.419 -2.061 -6.991 1.00 0.00 C ATOM 229 CG GLN A 18 -21.194 -3.325 -6.651 1.00 0.00 C ATOM 230 CD GLN A 18 -22.638 -3.268 -7.112 1.00 0.00 C ATOM 231 OE1 GLN A 18 -22.920 -2.971 -8.273 1.00 0.00 O ATOM 232 NE2 GLN A 18 -23.563 -3.551 -6.201 1.00 0.00 N ATOM 0 H GLN A 18 -20.832 -3.482 -8.967 1.00 0.00 H new ATOM 0 HA GLN A 18 -19.189 -1.292 -8.588 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.921 -1.700 -6.091 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -21.123 -1.288 -7.298 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -20.703 -4.182 -7.112 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -21.167 -3.484 -5.573 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -23.285 -3.792 -5.250 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -24.551 -3.527 -6.453 1.00 0.00 H new ATOM 241 N GLU A 19 -17.739 -3.992 -7.645 1.00 0.00 N ATOM 242 CA GLU A 19 -16.492 -4.527 -7.118 1.00 0.00 C ATOM 243 C GLU A 19 -15.365 -4.329 -8.127 1.00 0.00 C ATOM 244 O GLU A 19 -14.453 -5.149 -8.230 1.00 0.00 O ATOM 245 CB GLU A 19 -16.659 -6.014 -6.797 1.00 0.00 C ATOM 246 CG GLU A 19 -17.761 -6.290 -5.789 1.00 0.00 C ATOM 247 CD GLU A 19 -19.010 -6.863 -6.434 1.00 0.00 C ATOM 248 OE1 GLU A 19 -19.075 -6.894 -7.681 1.00 0.00 O ATOM 249 OE2 GLU A 19 -19.924 -7.280 -5.692 1.00 0.00 O ATOM 0 H GLU A 19 -18.323 -4.673 -8.130 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.237 -3.993 -6.203 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.874 -6.556 -7.718 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.717 -6.403 -6.411 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.393 -6.986 -5.035 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.015 -5.365 -5.271 1.00 0.00 H new ATOM 256 N GLN A 20 -15.405 -3.206 -8.836 1.00 0.00 N ATOM 257 CA GLN A 20 -14.366 -2.877 -9.801 1.00 0.00 C ATOM 258 C GLN A 20 -13.070 -2.551 -9.074 1.00 0.00 C ATOM 259 O GLN A 20 -12.238 -3.424 -8.822 1.00 0.00 O ATOM 260 CB GLN A 20 -14.773 -1.709 -10.733 1.00 0.00 C ATOM 261 CG GLN A 20 -15.987 -0.907 -10.277 1.00 0.00 C ATOM 262 CD GLN A 20 -16.492 0.053 -11.337 1.00 0.00 C ATOM 263 OE1 GLN A 20 -17.700 0.212 -11.518 1.00 0.00 O ATOM 264 NE2 GLN A 20 -15.573 0.696 -12.046 1.00 0.00 N ATOM 0 H GLN A 20 -16.146 -2.509 -8.760 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.219 -3.751 -10.436 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.925 -1.031 -10.830 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.975 -2.111 -11.726 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.788 -1.594 -10.004 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.729 -0.346 -9.379 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.583 0.535 -11.863 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -15.857 1.352 -12.774 1.00 0.00 H new ATOM 273 N LYS A 21 -12.922 -1.279 -8.729 1.00 0.00 N ATOM 274 CA LYS A 21 -11.749 -0.791 -8.011 1.00 0.00 C ATOM 275 C LYS A 21 -11.846 -1.093 -6.517 1.00 0.00 C ATOM 276 O LYS A 21 -11.116 -0.510 -5.714 1.00 0.00 O ATOM 277 CB LYS A 21 -11.587 0.718 -8.224 1.00 0.00 C ATOM 278 CG LYS A 21 -12.217 1.239 -9.511 1.00 0.00 C ATOM 279 CD LYS A 21 -11.169 1.708 -10.504 1.00 0.00 C ATOM 280 CE LYS A 21 -10.450 0.533 -11.141 1.00 0.00 C ATOM 281 NZ LYS A 21 -9.253 0.126 -10.356 1.00 0.00 N ATOM 0 H LYS A 21 -13.610 -0.556 -8.938 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.877 -1.309 -8.409 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.030 1.243 -7.378 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.524 0.961 -8.229 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.820 0.453 -9.964 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.891 2.063 -9.278 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.643 2.311 -11.279 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.447 2.349 -9.998 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.135 -0.311 -11.223 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.147 0.798 -12.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.544 -0.289 -10.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.848 0.959 -9.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.529 -0.577 -9.641 1.00 0.00 H new ATOM 295 N GLN A 22 -12.745 -1.998 -6.142 1.00 0.00 N ATOM 296 CA GLN A 22 -12.938 -2.354 -4.737 1.00 0.00 C ATOM 297 C GLN A 22 -11.688 -2.965 -4.131 1.00 0.00 C ATOM 298 O GLN A 22 -11.038 -2.356 -3.282 1.00 0.00 O ATOM 299 CB GLN A 22 -14.115 -3.319 -4.589 1.00 0.00 C ATOM 300 CG GLN A 22 -15.121 -2.887 -3.534 1.00 0.00 C ATOM 301 CD GLN A 22 -15.748 -4.057 -2.805 1.00 0.00 C ATOM 302 OE1 GLN A 22 -16.925 -4.364 -2.996 1.00 0.00 O ATOM 303 NE2 GLN A 22 -14.964 -4.716 -1.959 1.00 0.00 N ATOM 0 H GLN A 22 -13.352 -2.499 -6.790 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.155 -1.433 -4.195 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.623 -3.411 -5.549 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.734 -4.308 -4.334 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -14.626 -2.238 -2.811 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -15.906 -2.297 -4.007 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -13.994 -4.427 -1.832 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -15.332 -5.511 -1.437 1.00 0.00 H new ATOM 312 N MET A 23 -11.356 -4.175 -4.560 1.00 0.00 N ATOM 313 CA MET A 23 -10.184 -4.859 -4.046 1.00 0.00 C ATOM 314 C MET A 23 -8.951 -3.967 -4.171 1.00 0.00 C ATOM 315 O MET A 23 -8.631 -3.226 -3.251 1.00 0.00 O ATOM 316 CB MET A 23 -9.988 -6.190 -4.781 1.00 0.00 C ATOM 317 CG MET A 23 -11.241 -7.050 -4.828 1.00 0.00 C ATOM 318 SD MET A 23 -11.240 -8.351 -3.579 1.00 0.00 S ATOM 319 CE MET A 23 -10.674 -9.743 -4.554 1.00 0.00 C ATOM 0 H MET A 23 -11.881 -4.699 -5.260 1.00 0.00 H new ATOM 0 HA MET A 23 -10.332 -5.075 -2.988 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.658 -5.988 -5.800 1.00 0.00 H new ATOM 0 HB3 MET A 23 -9.191 -6.751 -4.293 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.117 -6.417 -4.686 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.330 -7.501 -5.816 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.670 -10.642 -3.937 1.00 0.00 H new ATOM 0 HE2 MET A 23 -11.342 -9.888 -5.403 1.00 0.00 H new ATOM 0 HE3 MET A 23 -9.665 -9.547 -4.916 1.00 0.00 H new ATOM 329 N LEU A 24 -8.263 -4.045 -5.303 1.00 0.00 N ATOM 330 CA LEU A 24 -7.054 -3.243 -5.540 1.00 0.00 C ATOM 331 C LEU A 24 -7.340 -1.737 -5.530 1.00 0.00 C ATOM 332 O LEU A 24 -6.980 -1.043 -6.480 1.00 0.00 O ATOM 333 CB LEU A 24 -6.403 -3.611 -6.894 1.00 0.00 C ATOM 334 CG LEU A 24 -7.131 -4.668 -7.732 1.00 0.00 C ATOM 335 CD1 LEU A 24 -8.386 -4.076 -8.356 1.00 0.00 C ATOM 336 CD2 LEU A 24 -6.206 -5.225 -8.810 1.00 0.00 C ATOM 0 H LEU A 24 -8.517 -4.656 -6.079 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.373 -3.473 -4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.316 -2.702 -7.490 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.390 -3.965 -6.702 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.426 -5.488 -7.077 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.892 -4.838 -8.948 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.053 -3.726 -7.569 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.113 -3.239 -8.999 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.739 -5.974 -9.395 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.882 -4.416 -9.465 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.335 -5.683 -8.341 1.00 0.00 H new ATOM 348 N GLY A 25 -7.977 -1.218 -4.469 1.00 0.00 N ATOM 349 CA GLY A 25 -8.275 0.209 -4.416 1.00 0.00 C ATOM 350 C GLY A 25 -8.438 0.819 -5.800 1.00 0.00 C ATOM 351 O GLY A 25 -8.958 0.172 -6.710 1.00 0.00 O ATOM 0 H GLY A 25 -8.286 -1.755 -3.659 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.189 0.366 -3.843 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.474 0.725 -3.886 1.00 0.00 H new ATOM 355 N GLU A 26 -7.975 2.050 -5.971 1.00 0.00 N ATOM 356 CA GLU A 26 -8.052 2.703 -7.272 1.00 0.00 C ATOM 357 C GLU A 26 -7.016 2.095 -8.220 1.00 0.00 C ATOM 358 O GLU A 26 -7.316 1.188 -8.998 1.00 0.00 O ATOM 359 CB GLU A 26 -7.835 4.224 -7.167 1.00 0.00 C ATOM 360 CG GLU A 26 -7.270 4.689 -5.836 1.00 0.00 C ATOM 361 CD GLU A 26 -8.341 4.868 -4.786 1.00 0.00 C ATOM 362 OE1 GLU A 26 -8.907 3.851 -4.334 1.00 0.00 O ATOM 363 OE2 GLU A 26 -8.615 6.029 -4.415 1.00 0.00 O ATOM 0 H GLU A 26 -7.547 2.612 -5.235 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.055 2.539 -7.665 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.160 4.538 -7.963 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.787 4.727 -7.339 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.536 3.964 -5.483 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.743 5.633 -5.978 1.00 0.00 H new ATOM 370 N ARG A 27 -5.795 2.623 -8.144 1.00 0.00 N ATOM 371 CA ARG A 27 -4.685 2.170 -8.987 1.00 0.00 C ATOM 372 C ARG A 27 -3.380 2.062 -8.199 1.00 0.00 C ATOM 373 O ARG A 27 -2.304 1.919 -8.785 1.00 0.00 O ATOM 374 CB ARG A 27 -4.473 3.147 -10.145 1.00 0.00 C ATOM 375 CG ARG A 27 -5.254 2.800 -11.398 1.00 0.00 C ATOM 376 CD ARG A 27 -4.696 1.561 -12.078 1.00 0.00 C ATOM 377 NE ARG A 27 -4.772 1.651 -13.535 1.00 0.00 N ATOM 378 CZ ARG A 27 -4.522 0.633 -14.358 1.00 0.00 C ATOM 379 NH1 ARG A 27 -4.166 -0.549 -13.872 1.00 0.00 N ATOM 380 NH2 ARG A 27 -4.617 0.803 -15.669 1.00 0.00 N ATOM 0 H ARG A 27 -5.546 3.374 -7.500 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.950 1.182 -9.363 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.756 4.148 -9.819 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.411 3.180 -10.389 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.300 2.635 -11.141 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.224 3.641 -12.091 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.658 1.420 -11.778 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.247 0.683 -11.740 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.032 2.547 -13.947 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.083 -0.682 -12.864 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.976 -1.325 -14.506 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.881 1.713 -16.047 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.426 0.024 -16.299 1.00 0.00 H new ATOM 394 N LEU A 28 -3.470 2.141 -6.881 1.00 0.00 N ATOM 395 CA LEU A 28 -2.290 2.070 -6.027 1.00 0.00 C ATOM 396 C LEU A 28 -1.716 0.660 -5.948 1.00 0.00 C ATOM 397 O LEU A 28 -0.507 0.467 -6.086 1.00 0.00 O ATOM 398 CB LEU A 28 -2.658 2.548 -4.633 1.00 0.00 C ATOM 399 CG LEU A 28 -2.068 3.889 -4.223 1.00 0.00 C ATOM 400 CD1 LEU A 28 -3.065 4.632 -3.350 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.738 3.689 -3.509 1.00 0.00 C ATOM 0 H LEU A 28 -4.349 2.255 -6.376 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.522 2.709 -6.464 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.744 2.613 -4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.338 1.795 -3.913 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.872 4.490 -5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.645 5.593 -3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.987 4.795 -3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.280 4.041 -2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.330 4.658 -3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.892 3.082 -2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.039 3.184 -4.176 1.00 0.00 H new ATOM 413 N PHE A 29 -2.582 -0.321 -5.714 1.00 0.00 N ATOM 414 CA PHE A 29 -2.154 -1.713 -5.604 1.00 0.00 C ATOM 415 C PHE A 29 -1.195 -2.087 -6.737 1.00 0.00 C ATOM 416 O PHE A 29 -0.132 -2.652 -6.495 1.00 0.00 O ATOM 417 CB PHE A 29 -3.371 -2.649 -5.603 1.00 0.00 C ATOM 418 CG PHE A 29 -3.235 -3.889 -4.743 1.00 0.00 C ATOM 419 CD1 PHE A 29 -2.226 -4.026 -3.792 1.00 0.00 C ATOM 420 CD2 PHE A 29 -4.137 -4.936 -4.895 1.00 0.00 C ATOM 421 CE1 PHE A 29 -2.135 -5.181 -3.029 1.00 0.00 C ATOM 422 CE2 PHE A 29 -4.043 -6.080 -4.136 1.00 0.00 C ATOM 423 CZ PHE A 29 -3.042 -6.204 -3.203 1.00 0.00 C ATOM 0 H PHE A 29 -3.585 -0.179 -5.597 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.622 -1.828 -4.660 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.241 -2.086 -5.265 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.571 -2.959 -6.629 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.511 -3.229 -3.648 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.929 -4.850 -5.625 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.349 -5.279 -2.295 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.756 -6.880 -4.274 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.966 -7.101 -2.607 1.00 0.00 H new ATOM 433 N PRO A 30 -1.551 -1.761 -7.989 1.00 0.00 N ATOM 434 CA PRO A 30 -0.704 -2.057 -9.149 1.00 0.00 C ATOM 435 C PRO A 30 0.667 -1.395 -9.050 1.00 0.00 C ATOM 436 O PRO A 30 1.693 -2.011 -9.337 1.00 0.00 O ATOM 437 CB PRO A 30 -1.475 -1.471 -10.337 1.00 0.00 C ATOM 438 CG PRO A 30 -2.871 -1.253 -9.855 1.00 0.00 C ATOM 439 CD PRO A 30 -2.794 -1.073 -8.365 1.00 0.00 C ATOM 0 HA PRO A 30 -0.513 -3.127 -9.234 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.026 -0.535 -10.670 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.458 -2.152 -11.188 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.310 -0.375 -10.328 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.505 -2.103 -10.109 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.765 -0.018 -8.091 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.659 -1.509 -7.865 1.00 0.00 H new ATOM 447 N LEU A 31 0.666 -0.129 -8.647 1.00 0.00 N ATOM 448 CA LEU A 31 1.904 0.644 -8.515 1.00 0.00 C ATOM 449 C LEU A 31 2.743 0.128 -7.356 1.00 0.00 C ATOM 450 O LEU A 31 3.957 -0.094 -7.473 1.00 0.00 O ATOM 451 CB LEU A 31 1.566 2.118 -8.295 1.00 0.00 C ATOM 452 CG LEU A 31 0.483 2.664 -9.224 1.00 0.00 C ATOM 453 CD1 LEU A 31 -0.194 3.892 -8.627 1.00 0.00 C ATOM 454 CD2 LEU A 31 1.085 2.974 -10.578 1.00 0.00 C ATOM 0 H LEU A 31 -0.179 0.388 -8.405 1.00 0.00 H new ATOM 0 HA LEU A 31 2.482 0.534 -9.432 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.244 2.254 -7.263 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.472 2.709 -8.427 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.288 1.904 -9.347 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.959 4.255 -9.313 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.656 3.627 -7.676 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.548 4.674 -8.464 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.311 3.363 -11.240 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.873 3.718 -10.464 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.505 2.064 -11.007 1.00 0.00 H new ATOM 466 N ILE A 32 2.083 -0.079 -6.238 1.00 0.00 N ATOM 467 CA ILE A 32 2.745 -0.575 -5.057 1.00 0.00 C ATOM 468 C ILE A 32 3.213 -1.999 -5.298 1.00 0.00 C ATOM 469 O ILE A 32 4.341 -2.344 -4.963 1.00 0.00 O ATOM 470 CB ILE A 32 1.810 -0.489 -3.843 1.00 0.00 C ATOM 471 CG1 ILE A 32 2.588 -0.665 -2.536 1.00 0.00 C ATOM 472 CG2 ILE A 32 0.686 -1.496 -3.976 1.00 0.00 C ATOM 473 CD1 ILE A 32 3.282 -1.995 -2.389 1.00 0.00 C ATOM 0 H ILE A 32 1.084 0.090 -6.124 1.00 0.00 H new ATOM 0 HA ILE A 32 3.617 0.042 -4.843 1.00 0.00 H new ATOM 0 HB ILE A 32 1.364 0.505 -3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.333 0.128 -2.463 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.901 -0.535 -1.700 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.030 -1.425 -3.109 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.115 -1.287 -4.881 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.103 -2.501 -4.034 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.806 -2.028 -1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.544 -2.796 -2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.998 -2.123 -3.201 1.00 0.00 H new ATOM 485 N GLN A 33 2.367 -2.819 -5.919 1.00 0.00 N ATOM 486 CA GLN A 33 2.750 -4.193 -6.231 1.00 0.00 C ATOM 487 C GLN A 33 4.149 -4.211 -6.846 1.00 0.00 C ATOM 488 O GLN A 33 4.980 -5.059 -6.515 1.00 0.00 O ATOM 489 CB GLN A 33 1.758 -4.831 -7.203 1.00 0.00 C ATOM 490 CG GLN A 33 1.345 -6.237 -6.806 1.00 0.00 C ATOM 491 CD GLN A 33 0.046 -6.665 -7.457 1.00 0.00 C ATOM 492 OE1 GLN A 33 -0.979 -5.829 -7.337 1.00 0.00 O flip ATOM 493 NE2 GLN A 33 -0.034 -7.732 -8.065 1.00 0.00 N flip ATOM 0 H GLN A 33 1.425 -2.560 -6.212 1.00 0.00 H new ATOM 0 HA GLN A 33 2.745 -4.768 -5.305 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.869 -4.204 -7.267 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.202 -4.858 -8.198 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.134 -6.936 -7.083 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.239 -6.289 -5.722 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.780 -8.343 -8.132 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.914 -8.005 -8.502 1.00 0.00 H new ATOM 502 N ALA A 34 4.390 -3.262 -7.754 1.00 0.00 N ATOM 503 CA ALA A 34 5.677 -3.152 -8.437 1.00 0.00 C ATOM 504 C ALA A 34 6.827 -2.999 -7.458 1.00 0.00 C ATOM 505 O ALA A 34 7.924 -3.507 -7.686 1.00 0.00 O ATOM 506 CB ALA A 34 5.662 -1.984 -9.410 1.00 0.00 C ATOM 0 H ALA A 34 3.707 -2.558 -8.032 1.00 0.00 H new ATOM 0 HA ALA A 34 5.832 -4.079 -8.989 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.628 -1.915 -9.911 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.879 -2.139 -10.152 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.469 -1.060 -8.866 1.00 0.00 H new ATOM 512 N MET A 35 6.571 -2.288 -6.380 1.00 0.00 N ATOM 513 CA MET A 35 7.601 -2.056 -5.363 1.00 0.00 C ATOM 514 C MET A 35 7.440 -3.010 -4.181 1.00 0.00 C ATOM 515 O MET A 35 8.386 -3.698 -3.795 1.00 0.00 O ATOM 516 CB MET A 35 7.558 -0.605 -4.877 1.00 0.00 C ATOM 517 CG MET A 35 7.876 0.407 -5.968 1.00 0.00 C ATOM 518 SD MET A 35 9.325 1.410 -5.585 1.00 0.00 S ATOM 519 CE MET A 35 10.599 0.154 -5.495 1.00 0.00 C ATOM 0 H MET A 35 5.668 -1.859 -6.177 1.00 0.00 H new ATOM 0 HA MET A 35 8.570 -2.247 -5.824 1.00 0.00 H new ATOM 0 HB2 MET A 35 6.568 -0.394 -4.473 1.00 0.00 H new ATOM 0 HB3 MET A 35 8.268 -0.482 -4.059 1.00 0.00 H new ATOM 0 HG2 MET A 35 8.041 -0.119 -6.909 1.00 0.00 H new ATOM 0 HG3 MET A 35 7.016 1.060 -6.114 1.00 0.00 H new ATOM 0 HE1 MET A 35 11.576 0.616 -5.638 1.00 0.00 H new ATOM 0 HE2 MET A 35 10.566 -0.329 -4.518 1.00 0.00 H new ATOM 0 HE3 MET A 35 10.432 -0.590 -6.274 1.00 0.00 H new ATOM 529 N HIS A 36 6.236 -3.073 -3.631 1.00 0.00 N ATOM 530 CA HIS A 36 5.943 -3.973 -2.518 1.00 0.00 C ATOM 531 C HIS A 36 6.843 -3.732 -1.310 1.00 0.00 C ATOM 532 O HIS A 36 7.352 -4.681 -0.713 1.00 0.00 O ATOM 533 CB HIS A 36 6.079 -5.429 -2.965 1.00 0.00 C ATOM 534 CG HIS A 36 4.778 -6.043 -3.368 1.00 0.00 C ATOM 535 ND1 HIS A 36 3.523 -5.564 -3.271 1.00 0.00 N flip ATOM 536 CD2 HIS A 36 4.667 -7.291 -3.942 1.00 0.00 C flip ATOM 537 CE1 HIS A 36 2.677 -6.519 -3.780 1.00 0.00 C flip ATOM 538 NE2 HIS A 36 3.393 -7.553 -4.181 1.00 0.00 N flip ATOM 0 H HIS A 36 5.442 -2.511 -3.937 1.00 0.00 H new ATOM 0 HA HIS A 36 4.918 -3.765 -2.212 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.774 -5.482 -3.803 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.513 -6.013 -2.153 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.492 -7.952 -4.162 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.602 -6.437 -3.842 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.027 -8.407 -4.602 1.00 0.00 H new ATOM 546 N PRO A 37 7.041 -2.475 -0.906 1.00 0.00 N ATOM 547 CA PRO A 37 7.865 -2.176 0.256 1.00 0.00 C ATOM 548 C PRO A 37 7.266 -2.774 1.526 1.00 0.00 C ATOM 549 O PRO A 37 7.801 -3.733 2.084 1.00 0.00 O ATOM 550 CB PRO A 37 7.876 -0.647 0.326 1.00 0.00 C ATOM 551 CG PRO A 37 6.703 -0.206 -0.482 1.00 0.00 C ATOM 552 CD PRO A 37 6.474 -1.265 -1.517 1.00 0.00 C ATOM 0 HA PRO A 37 8.866 -2.599 0.172 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.796 -0.300 1.356 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.805 -0.242 -0.076 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.822 -0.083 0.148 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.896 0.759 -0.951 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.414 -1.387 -1.738 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.969 -1.021 -2.457 1.00 0.00 H new ATOM 560 N THR A 38 6.171 -2.183 1.995 1.00 0.00 N ATOM 561 CA THR A 38 5.519 -2.636 3.220 1.00 0.00 C ATOM 562 C THR A 38 4.350 -3.570 2.922 1.00 0.00 C ATOM 563 O THR A 38 4.333 -4.715 3.371 1.00 0.00 O ATOM 564 CB THR A 38 5.031 -1.436 4.047 1.00 0.00 C ATOM 565 OG1 THR A 38 3.698 -1.094 3.706 1.00 0.00 O ATOM 566 CG2 THR A 38 5.877 -0.189 3.874 1.00 0.00 C ATOM 0 H THR A 38 5.716 -1.389 1.545 1.00 0.00 H new ATOM 0 HA THR A 38 6.259 -3.192 3.796 1.00 0.00 H new ATOM 0 HB THR A 38 5.106 -1.764 5.084 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.076 -1.592 4.277 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.471 0.614 4.488 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.901 -0.399 4.182 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.868 0.115 2.827 1.00 0.00 H new ATOM 574 N LEU A 39 3.371 -3.072 2.177 1.00 0.00 N ATOM 575 CA LEU A 39 2.198 -3.865 1.839 1.00 0.00 C ATOM 576 C LEU A 39 1.386 -3.199 0.737 1.00 0.00 C ATOM 577 O LEU A 39 0.777 -2.154 0.951 1.00 0.00 O ATOM 578 CB LEU A 39 1.318 -4.060 3.074 1.00 0.00 C ATOM 579 CG LEU A 39 0.916 -5.505 3.371 1.00 0.00 C ATOM 580 CD1 LEU A 39 -0.091 -5.549 4.510 1.00 0.00 C ATOM 581 CD2 LEU A 39 0.344 -6.173 2.129 1.00 0.00 C ATOM 0 H LEU A 39 3.367 -2.126 1.797 1.00 0.00 H new ATOM 0 HA LEU A 39 2.542 -4.835 1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.845 -3.662 3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.412 -3.467 2.951 1.00 0.00 H new ATOM 0 HG LEU A 39 1.808 -6.054 3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.368 -6.584 4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.352 -5.112 5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.980 -4.983 4.232 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.065 -7.200 2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.537 -5.625 1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.094 -6.173 1.338 1.00 0.00 H new ATOM 593 N ALA A 40 1.372 -3.819 -0.433 1.00 0.00 N ATOM 594 CA ALA A 40 0.624 -3.309 -1.577 1.00 0.00 C ATOM 595 C ALA A 40 -0.834 -3.016 -1.228 1.00 0.00 C ATOM 596 O ALA A 40 -1.341 -1.938 -1.538 1.00 0.00 O ATOM 597 CB ALA A 40 0.741 -4.294 -2.732 1.00 0.00 C ATOM 0 H ALA A 40 1.876 -4.686 -0.618 1.00 0.00 H new ATOM 0 HA ALA A 40 1.057 -2.355 -1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.183 -3.917 -3.589 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.790 -4.412 -3.005 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.334 -5.259 -2.430 1.00 0.00 H new ATOM 603 N GLY A 41 -1.514 -3.967 -0.606 1.00 0.00 N ATOM 604 CA GLY A 41 -2.911 -3.759 -0.263 1.00 0.00 C ATOM 605 C GLY A 41 -3.120 -2.660 0.765 1.00 0.00 C ATOM 606 O GLY A 41 -4.120 -1.943 0.714 1.00 0.00 O ATOM 0 H GLY A 41 -1.131 -4.872 -0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.467 -3.512 -1.167 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.326 -4.691 0.122 1.00 0.00 H new ATOM 610 N LYS A 42 -2.195 -2.540 1.713 1.00 0.00 N ATOM 611 CA LYS A 42 -2.306 -1.535 2.764 1.00 0.00 C ATOM 612 C LYS A 42 -1.804 -0.158 2.327 1.00 0.00 C ATOM 613 O LYS A 42 -2.435 0.858 2.618 1.00 0.00 O ATOM 614 CB LYS A 42 -1.547 -1.998 4.008 1.00 0.00 C ATOM 615 CG LYS A 42 -2.399 -2.007 5.259 1.00 0.00 C ATOM 616 CD LYS A 42 -2.993 -0.633 5.533 1.00 0.00 C ATOM 617 CE LYS A 42 -4.472 -0.579 5.185 1.00 0.00 C ATOM 618 NZ LYS A 42 -5.198 -1.796 5.639 1.00 0.00 N ATOM 0 H LYS A 42 -1.362 -3.125 1.775 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.367 -1.427 2.991 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.157 -3.001 3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.689 -1.345 4.166 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.201 -2.737 5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.795 -2.321 6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.857 -0.381 6.585 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.455 0.118 4.954 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.920 0.302 5.644 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.587 -0.470 4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.209 -1.577 5.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.080 -2.553 4.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.813 -2.109 6.553 1.00 0.00 H new ATOM 632 N ILE A 43 -0.669 -0.122 1.634 1.00 0.00 N ATOM 633 CA ILE A 43 -0.099 1.142 1.175 1.00 0.00 C ATOM 634 C ILE A 43 -1.120 1.930 0.361 1.00 0.00 C ATOM 635 O ILE A 43 -1.187 3.157 0.440 1.00 0.00 O ATOM 636 CB ILE A 43 1.188 0.906 0.346 1.00 0.00 C ATOM 637 CG1 ILE A 43 2.405 1.448 1.096 1.00 0.00 C ATOM 638 CG2 ILE A 43 1.096 1.530 -1.044 1.00 0.00 C ATOM 639 CD1 ILE A 43 3.577 0.499 1.101 1.00 0.00 C ATOM 0 H ILE A 43 -0.128 -0.948 1.379 1.00 0.00 H new ATOM 0 HA ILE A 43 0.168 1.727 2.055 1.00 0.00 H new ATOM 0 HB ILE A 43 1.300 -0.170 0.211 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.712 2.390 0.642 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.120 1.667 2.125 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.020 1.340 -1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.258 1.091 -1.585 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.944 2.605 -0.951 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.405 0.947 1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.286 -0.435 1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.887 0.299 0.075 1.00 0.00 H new ATOM 651 N THR A 44 -1.909 1.209 -0.423 1.00 0.00 N ATOM 652 CA THR A 44 -2.930 1.820 -1.261 1.00 0.00 C ATOM 653 C THR A 44 -3.921 2.636 -0.433 1.00 0.00 C ATOM 654 O THR A 44 -4.253 3.767 -0.785 1.00 0.00 O ATOM 655 CB THR A 44 -3.677 0.733 -2.039 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.788 -0.026 -2.846 1.00 0.00 O ATOM 657 CG2 THR A 44 -4.765 1.276 -2.939 1.00 0.00 C ATOM 0 H THR A 44 -1.860 0.193 -0.496 1.00 0.00 H new ATOM 0 HA THR A 44 -2.435 2.498 -1.956 1.00 0.00 H new ATOM 0 HB THR A 44 -4.138 0.109 -1.274 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.317 -0.680 -2.288 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.252 0.451 -3.459 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.500 1.811 -2.339 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.327 1.957 -3.669 1.00 0.00 H new ATOM 665 N GLY A 45 -4.389 2.061 0.668 1.00 0.00 N ATOM 666 CA GLY A 45 -5.337 2.760 1.519 1.00 0.00 C ATOM 667 C GLY A 45 -4.795 4.088 1.991 1.00 0.00 C ATOM 668 O GLY A 45 -5.538 5.051 2.166 1.00 0.00 O ATOM 0 H GLY A 45 -4.131 1.127 0.987 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.266 2.920 0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.578 2.139 2.382 1.00 0.00 H new ATOM 672 N MET A 46 -3.489 4.132 2.185 1.00 0.00 N ATOM 673 CA MET A 46 -2.821 5.338 2.636 1.00 0.00 C ATOM 674 C MET A 46 -2.745 6.371 1.526 1.00 0.00 C ATOM 675 O MET A 46 -3.267 7.479 1.659 1.00 0.00 O ATOM 676 CB MET A 46 -1.427 4.989 3.132 1.00 0.00 C ATOM 677 CG MET A 46 -1.417 4.590 4.588 1.00 0.00 C ATOM 678 SD MET A 46 -2.244 3.022 4.898 1.00 0.00 S ATOM 679 CE MET A 46 -2.715 3.261 6.608 1.00 0.00 C ATOM 0 H MET A 46 -2.866 3.338 2.035 1.00 0.00 H new ATOM 0 HA MET A 46 -3.399 5.772 3.452 1.00 0.00 H new ATOM 0 HB2 MET A 46 -1.025 4.173 2.532 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.768 5.845 2.988 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.385 4.524 4.933 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.900 5.371 5.176 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.228 2.371 6.972 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.823 3.438 7.210 1.00 0.00 H new ATOM 0 HE3 MET A 46 -3.381 4.120 6.685 1.00 0.00 H new ATOM 689 N LEU A 47 -2.078 6.019 0.436 1.00 0.00 N ATOM 690 CA LEU A 47 -1.926 6.942 -0.675 1.00 0.00 C ATOM 691 C LEU A 47 -3.287 7.375 -1.190 1.00 0.00 C ATOM 692 O LEU A 47 -3.396 8.380 -1.892 1.00 0.00 O ATOM 693 CB LEU A 47 -1.110 6.308 -1.805 1.00 0.00 C ATOM 694 CG LEU A 47 0.351 5.955 -1.492 1.00 0.00 C ATOM 695 CD1 LEU A 47 1.299 6.910 -2.206 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.629 5.945 0.005 1.00 0.00 C ATOM 0 H LEU A 47 -1.638 5.109 0.299 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.388 7.820 -0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.619 5.397 -2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.120 6.990 -2.655 1.00 0.00 H new ATOM 0 HG LEU A 47 0.525 4.944 -1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.329 6.643 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.142 6.841 -3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.104 7.930 -1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.674 5.690 0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.422 6.931 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.010 5.206 0.489 1.00 0.00 H new ATOM 708 N LEU A 48 -4.330 6.604 -0.865 1.00 0.00 N ATOM 709 CA LEU A 48 -5.685 6.909 -1.318 1.00 0.00 C ATOM 710 C LEU A 48 -6.166 8.294 -0.854 1.00 0.00 C ATOM 711 O LEU A 48 -7.363 8.581 -0.883 1.00 0.00 O ATOM 712 CB LEU A 48 -6.649 5.819 -0.824 1.00 0.00 C ATOM 713 CG LEU A 48 -7.372 5.051 -1.932 1.00 0.00 C ATOM 714 CD1 LEU A 48 -6.427 4.068 -2.603 1.00 0.00 C ATOM 715 CD2 LEU A 48 -8.599 4.326 -1.394 1.00 0.00 C ATOM 0 H LEU A 48 -4.259 5.765 -0.290 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.670 6.929 -2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.090 5.109 -0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.394 6.280 -0.175 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.709 5.775 -2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.959 3.531 -3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.587 4.610 -3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.056 3.357 -1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.090 3.790 -2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.294 3.618 -0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.292 5.051 -0.967 1.00 0.00 H new ATOM 727 N GLU A 49 -5.234 9.150 -0.446 1.00 0.00 N ATOM 728 CA GLU A 49 -5.555 10.497 0.000 1.00 0.00 C ATOM 729 C GLU A 49 -5.904 11.387 -1.194 1.00 0.00 C ATOM 730 O GLU A 49 -6.382 12.508 -1.028 1.00 0.00 O ATOM 731 CB GLU A 49 -4.359 11.088 0.755 1.00 0.00 C ATOM 732 CG GLU A 49 -4.735 11.827 2.027 1.00 0.00 C ATOM 733 CD GLU A 49 -4.474 13.318 1.933 1.00 0.00 C ATOM 734 OE1 GLU A 49 -5.385 14.054 1.500 1.00 0.00 O ATOM 735 OE2 GLU A 49 -3.356 13.749 2.289 1.00 0.00 O ATOM 0 H GLU A 49 -4.239 8.928 -0.416 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.418 10.451 0.664 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.667 10.284 1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.827 11.772 0.094 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.790 11.659 2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.170 11.415 2.863 1.00 0.00 H new ATOM 742 N ILE A 50 -5.647 10.878 -2.400 1.00 0.00 N ATOM 743 CA ILE A 50 -5.917 11.617 -3.628 1.00 0.00 C ATOM 744 C ILE A 50 -7.105 11.014 -4.404 1.00 0.00 C ATOM 745 O ILE A 50 -7.633 9.968 -4.025 1.00 0.00 O ATOM 746 CB ILE A 50 -4.655 11.656 -4.512 1.00 0.00 C ATOM 747 CG1 ILE A 50 -4.662 12.903 -5.398 1.00 0.00 C ATOM 748 CG2 ILE A 50 -4.534 10.387 -5.345 1.00 0.00 C ATOM 749 CD1 ILE A 50 -3.417 13.748 -5.262 1.00 0.00 C ATOM 0 H ILE A 50 -5.250 9.951 -2.550 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.190 12.636 -3.354 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.781 11.707 -3.863 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.773 12.599 -6.439 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.532 13.510 -5.149 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.635 10.440 -5.960 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.471 9.523 -4.684 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.409 10.289 -5.988 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.492 14.615 -5.919 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.316 14.083 -4.230 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.544 13.157 -5.539 1.00 0.00 H new ATOM 761 N ASP A 51 -7.496 11.669 -5.503 1.00 0.00 N ATOM 762 CA ASP A 51 -8.588 11.201 -6.353 1.00 0.00 C ATOM 763 C ASP A 51 -8.173 9.990 -7.194 1.00 0.00 C ATOM 764 O ASP A 51 -7.025 9.896 -7.629 1.00 0.00 O ATOM 765 CB ASP A 51 -9.052 12.331 -7.274 1.00 0.00 C ATOM 766 CG ASP A 51 -10.511 12.207 -7.667 1.00 0.00 C ATOM 767 OD1 ASP A 51 -11.378 12.637 -6.878 1.00 0.00 O ATOM 768 OD2 ASP A 51 -10.786 11.685 -8.768 1.00 0.00 O ATOM 0 H ASP A 51 -7.064 12.535 -5.824 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.406 10.894 -5.702 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.895 13.288 -6.776 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.437 12.336 -8.174 1.00 0.00 H new ATOM 773 N ASN A 52 -9.118 9.081 -7.445 1.00 0.00 N ATOM 774 CA ASN A 52 -8.844 7.898 -8.266 1.00 0.00 C ATOM 775 C ASN A 52 -8.198 8.289 -9.594 1.00 0.00 C ATOM 776 O ASN A 52 -7.522 7.479 -10.231 1.00 0.00 O ATOM 777 CB ASN A 52 -10.135 7.130 -8.563 1.00 0.00 C ATOM 778 CG ASN A 52 -9.873 5.811 -9.273 1.00 0.00 C ATOM 779 OD1 ASN A 52 -8.723 5.419 -9.470 1.00 0.00 O ATOM 780 ND2 ASN A 52 -10.942 5.116 -9.662 1.00 0.00 N ATOM 0 H ASN A 52 -10.074 9.140 -7.094 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.160 7.266 -7.699 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.664 6.938 -7.629 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.789 7.748 -9.179 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.823 4.224 -10.142 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -11.879 5.476 -9.479 1.00 0.00 H new ATOM 787 N SER A 53 -8.448 9.525 -10.025 1.00 0.00 N ATOM 788 CA SER A 53 -7.928 10.013 -11.300 1.00 0.00 C ATOM 789 C SER A 53 -6.424 10.254 -11.260 1.00 0.00 C ATOM 790 O SER A 53 -5.760 10.233 -12.295 1.00 0.00 O ATOM 791 CB SER A 53 -8.648 11.300 -11.707 1.00 0.00 C ATOM 792 OG SER A 53 -8.093 12.427 -11.052 1.00 0.00 O ATOM 0 H SER A 53 -9.007 10.205 -9.510 1.00 0.00 H new ATOM 0 HA SER A 53 -8.116 9.235 -12.040 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.578 11.433 -12.787 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.707 11.220 -11.463 1.00 0.00 H new ATOM 0 HG SER A 53 -8.571 13.236 -11.331 1.00 0.00 H new ATOM 798 N GLU A 54 -5.889 10.485 -10.070 1.00 0.00 N ATOM 799 CA GLU A 54 -4.462 10.733 -9.927 1.00 0.00 C ATOM 800 C GLU A 54 -3.675 9.432 -9.991 1.00 0.00 C ATOM 801 O GLU A 54 -2.642 9.356 -10.653 1.00 0.00 O ATOM 802 CB GLU A 54 -4.172 11.460 -8.611 1.00 0.00 C ATOM 803 CG GLU A 54 -3.753 12.908 -8.798 1.00 0.00 C ATOM 804 CD GLU A 54 -2.331 13.045 -9.303 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.452 12.304 -8.813 1.00 0.00 O ATOM 806 OE2 GLU A 54 -2.096 13.893 -10.190 1.00 0.00 O ATOM 0 H GLU A 54 -6.416 10.506 -9.197 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.146 11.367 -10.755 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.062 11.426 -7.983 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.384 10.928 -8.077 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.432 13.390 -9.501 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.850 13.435 -7.849 1.00 0.00 H new ATOM 813 N LEU A 55 -4.165 8.411 -9.299 1.00 0.00 N ATOM 814 CA LEU A 55 -3.496 7.116 -9.280 1.00 0.00 C ATOM 815 C LEU A 55 -3.379 6.536 -10.680 1.00 0.00 C ATOM 816 O LEU A 55 -2.410 5.849 -10.998 1.00 0.00 O ATOM 817 CB LEU A 55 -4.236 6.153 -8.359 1.00 0.00 C ATOM 818 CG LEU A 55 -4.312 6.609 -6.904 1.00 0.00 C ATOM 819 CD1 LEU A 55 -5.562 7.438 -6.665 1.00 0.00 C ATOM 820 CD2 LEU A 55 -4.271 5.412 -5.974 1.00 0.00 C ATOM 0 H LEU A 55 -5.020 8.454 -8.745 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.486 7.262 -8.896 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.249 6.013 -8.737 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.744 5.181 -8.398 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.447 7.238 -6.693 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.596 7.752 -5.622 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.544 8.317 -7.309 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.444 6.840 -6.893 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.326 5.753 -4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.116 4.757 -6.186 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.341 4.864 -6.127 1.00 0.00 H new ATOM 832 N LEU A 56 -4.359 6.828 -11.528 1.00 0.00 N ATOM 833 CA LEU A 56 -4.334 6.340 -12.899 1.00 0.00 C ATOM 834 C LEU A 56 -3.181 6.989 -13.658 1.00 0.00 C ATOM 835 O LEU A 56 -2.405 6.317 -14.341 1.00 0.00 O ATOM 836 CB LEU A 56 -5.657 6.645 -13.603 1.00 0.00 C ATOM 837 CG LEU A 56 -6.880 5.912 -13.051 1.00 0.00 C ATOM 838 CD1 LEU A 56 -8.122 6.776 -13.199 1.00 0.00 C ATOM 839 CD2 LEU A 56 -7.066 4.579 -13.759 1.00 0.00 C ATOM 0 H LEU A 56 -5.173 7.395 -11.292 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.192 5.259 -12.881 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.841 7.718 -13.544 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.552 6.397 -14.659 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.720 5.716 -11.991 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.986 6.243 -12.802 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.986 7.707 -12.648 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.286 6.999 -14.253 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.941 4.071 -13.354 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.208 4.750 -14.826 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.183 3.959 -13.605 1.00 0.00 H new ATOM 851 N HIS A 57 -3.073 8.306 -13.515 1.00 0.00 N ATOM 852 CA HIS A 57 -2.016 9.069 -14.169 1.00 0.00 C ATOM 853 C HIS A 57 -0.645 8.572 -13.724 1.00 0.00 C ATOM 854 O HIS A 57 0.274 8.447 -14.534 1.00 0.00 O ATOM 855 CB HIS A 57 -2.157 10.559 -13.848 1.00 0.00 C ATOM 856 CG HIS A 57 -3.465 11.151 -14.278 1.00 0.00 C ATOM 857 ND1 HIS A 57 -4.450 10.422 -14.909 1.00 0.00 N ATOM 858 CD2 HIS A 57 -3.948 12.412 -14.165 1.00 0.00 C ATOM 859 CE1 HIS A 57 -5.482 11.206 -15.168 1.00 0.00 C ATOM 860 NE2 HIS A 57 -5.203 12.420 -14.726 1.00 0.00 N ATOM 0 H HIS A 57 -3.708 8.869 -12.949 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.109 8.928 -15.246 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -2.040 10.702 -12.774 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.346 11.103 -14.332 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.441 13.254 -13.717 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -6.397 10.906 -15.657 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -5.819 13.231 -14.791 1.00 0.00 H new ATOM 868 N MET A 58 -0.519 8.281 -12.431 1.00 0.00 N ATOM 869 CA MET A 58 0.736 7.785 -11.875 1.00 0.00 C ATOM 870 C MET A 58 1.186 6.534 -12.619 1.00 0.00 C ATOM 871 O MET A 58 2.341 6.414 -13.028 1.00 0.00 O ATOM 872 CB MET A 58 0.567 7.453 -10.392 1.00 0.00 C ATOM 873 CG MET A 58 0.152 8.632 -9.536 1.00 0.00 C ATOM 874 SD MET A 58 0.439 8.329 -7.785 1.00 0.00 S ATOM 875 CE MET A 58 -0.466 6.804 -7.543 1.00 0.00 C ATOM 0 H MET A 58 -1.271 8.380 -11.749 1.00 0.00 H new ATOM 0 HA MET A 58 1.489 8.565 -11.987 1.00 0.00 H new ATOM 0 HB2 MET A 58 -0.178 6.664 -10.290 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.507 7.054 -10.011 1.00 0.00 H new ATOM 0 HG2 MET A 58 0.706 9.518 -9.846 1.00 0.00 H new ATOM 0 HG3 MET A 58 -0.905 8.844 -9.699 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.351 6.998 -6.937 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.769 6.403 -8.510 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.170 6.080 -7.034 1.00 0.00 H new ATOM 885 N LEU A 59 0.261 5.600 -12.769 1.00 0.00 N ATOM 886 CA LEU A 59 0.555 4.340 -13.433 1.00 0.00 C ATOM 887 C LEU A 59 1.040 4.583 -14.859 1.00 0.00 C ATOM 888 O LEU A 59 1.721 3.739 -15.443 1.00 0.00 O ATOM 889 CB LEU A 59 -0.693 3.453 -13.440 1.00 0.00 C ATOM 890 CG LEU A 59 -0.682 2.321 -14.469 1.00 0.00 C ATOM 891 CD1 LEU A 59 -1.145 1.018 -13.840 1.00 0.00 C ATOM 892 CD2 LEU A 59 -1.549 2.687 -15.666 1.00 0.00 C ATOM 0 H LEU A 59 -0.700 5.690 -12.440 1.00 0.00 H new ATOM 0 HA LEU A 59 1.349 3.833 -12.885 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.816 3.019 -12.448 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.565 4.081 -13.624 1.00 0.00 H new ATOM 0 HG LEU A 59 0.341 2.179 -14.818 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.129 0.227 -14.589 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.479 0.753 -13.019 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.159 1.138 -13.460 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.532 1.873 -16.390 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.574 2.857 -15.335 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.163 3.594 -16.131 1.00 0.00 H new ATOM 904 N GLU A 60 0.707 5.743 -15.409 1.00 0.00 N ATOM 905 CA GLU A 60 1.133 6.089 -16.757 1.00 0.00 C ATOM 906 C GLU A 60 2.440 6.886 -16.734 1.00 0.00 C ATOM 907 O GLU A 60 3.057 7.107 -17.775 1.00 0.00 O ATOM 908 CB GLU A 60 0.039 6.888 -17.466 1.00 0.00 C ATOM 909 CG GLU A 60 -1.300 6.171 -17.509 1.00 0.00 C ATOM 910 CD GLU A 60 -1.391 5.174 -18.650 1.00 0.00 C ATOM 911 OE1 GLU A 60 -1.310 5.602 -19.820 1.00 0.00 O ATOM 912 OE2 GLU A 60 -1.543 3.966 -18.372 1.00 0.00 O ATOM 0 H GLU A 60 0.146 6.457 -14.945 1.00 0.00 H new ATOM 0 HA GLU A 60 1.310 5.164 -17.305 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.086 7.846 -16.961 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.360 7.104 -18.485 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.461 5.652 -16.564 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.099 6.906 -17.609 1.00 0.00 H new ATOM 919 N SER A 61 2.859 7.314 -15.540 1.00 0.00 N ATOM 920 CA SER A 61 4.093 8.081 -15.388 1.00 0.00 C ATOM 921 C SER A 61 4.819 7.713 -14.088 1.00 0.00 C ATOM 922 O SER A 61 4.513 8.258 -13.027 1.00 0.00 O ATOM 923 CB SER A 61 3.791 9.581 -15.412 1.00 0.00 C ATOM 924 OG SER A 61 4.396 10.203 -16.534 1.00 0.00 O ATOM 0 H SER A 61 2.361 7.141 -14.667 1.00 0.00 H new ATOM 0 HA SER A 61 4.747 7.834 -16.224 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.713 9.738 -15.442 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.155 10.044 -14.495 1.00 0.00 H new ATOM 0 HG SER A 61 4.188 11.161 -16.529 1.00 0.00 H new ATOM 930 N PRO A 62 5.795 6.789 -14.153 1.00 0.00 N ATOM 931 CA PRO A 62 6.560 6.363 -12.972 1.00 0.00 C ATOM 932 C PRO A 62 7.159 7.544 -12.207 1.00 0.00 C ATOM 933 O PRO A 62 7.440 7.446 -11.014 1.00 0.00 O ATOM 934 CB PRO A 62 7.676 5.498 -13.563 1.00 0.00 C ATOM 935 CG PRO A 62 7.131 5.001 -14.857 1.00 0.00 C ATOM 936 CD PRO A 62 6.231 6.089 -15.376 1.00 0.00 C ATOM 0 HA PRO A 62 5.931 5.842 -12.250 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.587 6.077 -13.714 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.930 4.672 -12.898 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.934 4.790 -15.563 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.578 4.072 -14.716 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.760 6.758 -16.054 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.384 5.680 -15.928 1.00 0.00 H new ATOM 944 N GLU A 63 7.361 8.652 -12.913 1.00 0.00 N ATOM 945 CA GLU A 63 7.940 9.858 -12.323 1.00 0.00 C ATOM 946 C GLU A 63 7.094 10.378 -11.163 1.00 0.00 C ATOM 947 O GLU A 63 7.523 10.359 -10.010 1.00 0.00 O ATOM 948 CB GLU A 63 8.075 10.942 -13.391 1.00 0.00 C ATOM 949 CG GLU A 63 8.319 10.393 -14.786 1.00 0.00 C ATOM 950 CD GLU A 63 9.234 11.273 -15.610 1.00 0.00 C ATOM 951 OE1 GLU A 63 10.462 11.226 -15.389 1.00 0.00 O ATOM 952 OE2 GLU A 63 8.723 12.012 -16.478 1.00 0.00 O ATOM 0 H GLU A 63 7.131 8.741 -13.903 1.00 0.00 H new ATOM 0 HA GLU A 63 8.924 9.601 -11.931 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.168 11.546 -13.401 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.897 11.606 -13.122 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.754 9.396 -14.709 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.365 10.285 -15.301 1.00 0.00 H new ATOM 959 N SER A 64 5.884 10.828 -11.479 1.00 0.00 N ATOM 960 CA SER A 64 4.971 11.341 -10.464 1.00 0.00 C ATOM 961 C SER A 64 4.508 10.194 -9.581 1.00 0.00 C ATOM 962 O SER A 64 4.248 10.362 -8.390 1.00 0.00 O ATOM 963 CB SER A 64 3.765 12.016 -11.127 1.00 0.00 C ATOM 964 OG SER A 64 3.527 13.301 -10.578 1.00 0.00 O ATOM 0 H SER A 64 5.513 10.848 -12.429 1.00 0.00 H new ATOM 0 HA SER A 64 5.489 12.082 -9.855 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.939 12.103 -12.200 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.880 11.393 -10.997 1.00 0.00 H new ATOM 0 HG SER A 64 2.753 13.708 -11.021 1.00 0.00 H new ATOM 970 N LEU A 65 4.390 9.030 -10.198 1.00 0.00 N ATOM 971 CA LEU A 65 3.942 7.834 -9.515 1.00 0.00 C ATOM 972 C LEU A 65 4.829 7.509 -8.323 1.00 0.00 C ATOM 973 O LEU A 65 4.344 7.405 -7.197 1.00 0.00 O ATOM 974 CB LEU A 65 3.932 6.665 -10.503 1.00 0.00 C ATOM 975 CG LEU A 65 3.666 5.268 -9.920 1.00 0.00 C ATOM 976 CD1 LEU A 65 4.963 4.586 -9.505 1.00 0.00 C ATOM 977 CD2 LEU A 65 2.688 5.328 -8.751 1.00 0.00 C ATOM 0 H LEU A 65 4.603 8.891 -11.186 1.00 0.00 H new ATOM 0 HA LEU A 65 2.935 8.006 -9.136 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.175 6.867 -11.261 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.895 6.643 -11.013 1.00 0.00 H new ATOM 0 HG LEU A 65 3.208 4.670 -10.708 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.741 3.600 -9.097 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.613 4.481 -10.374 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.464 5.188 -8.747 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.523 4.323 -8.363 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.101 5.958 -7.963 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.740 5.746 -9.090 1.00 0.00 H new ATOM 989 N ARG A 66 6.125 7.339 -8.561 1.00 0.00 N ATOM 990 CA ARG A 66 7.046 7.010 -7.479 1.00 0.00 C ATOM 991 C ARG A 66 7.061 8.099 -6.412 1.00 0.00 C ATOM 992 O ARG A 66 7.347 7.832 -5.244 1.00 0.00 O ATOM 993 CB ARG A 66 8.456 6.787 -8.028 1.00 0.00 C ATOM 994 CG ARG A 66 9.008 5.402 -7.730 1.00 0.00 C ATOM 995 CD ARG A 66 9.273 4.618 -9.005 1.00 0.00 C ATOM 996 NE ARG A 66 10.644 4.790 -9.480 1.00 0.00 N ATOM 997 CZ ARG A 66 11.130 4.195 -10.566 1.00 0.00 C ATOM 998 NH1 ARG A 66 10.361 3.389 -11.289 1.00 0.00 N ATOM 999 NH2 ARG A 66 12.387 4.407 -10.932 1.00 0.00 N ATOM 0 H ARG A 66 6.558 7.422 -9.481 1.00 0.00 H new ATOM 0 HA ARG A 66 6.697 6.088 -7.013 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.446 6.942 -9.107 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.125 7.536 -7.604 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.932 5.493 -7.160 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.301 4.855 -7.106 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.082 3.560 -8.826 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.578 4.941 -9.780 1.00 0.00 H new ATOM 0 HE ARG A 66 11.264 5.401 -8.948 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.393 3.224 -11.012 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.738 2.935 -12.121 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.981 5.026 -10.381 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.760 3.951 -11.765 1.00 0.00 H new ATOM 1013 N SER A 67 6.752 9.322 -6.817 1.00 0.00 N ATOM 1014 CA SER A 67 6.729 10.446 -5.890 1.00 0.00 C ATOM 1015 C SER A 67 5.772 10.182 -4.730 1.00 0.00 C ATOM 1016 O SER A 67 6.091 10.455 -3.572 1.00 0.00 O ATOM 1017 CB SER A 67 6.316 11.719 -6.626 1.00 0.00 C ATOM 1018 OG SER A 67 7.426 12.581 -6.819 1.00 0.00 O ATOM 0 H SER A 67 6.514 9.562 -7.779 1.00 0.00 H new ATOM 0 HA SER A 67 7.732 10.572 -5.482 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.881 11.460 -7.591 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.544 12.237 -6.057 1.00 0.00 H new ATOM 0 HG SER A 67 7.135 13.388 -7.294 1.00 0.00 H new ATOM 1024 N LYS A 68 4.599 9.648 -5.048 1.00 0.00 N ATOM 1025 CA LYS A 68 3.600 9.353 -4.028 1.00 0.00 C ATOM 1026 C LYS A 68 3.916 8.041 -3.318 1.00 0.00 C ATOM 1027 O LYS A 68 3.916 7.977 -2.089 1.00 0.00 O ATOM 1028 CB LYS A 68 2.200 9.295 -4.643 1.00 0.00 C ATOM 1029 CG LYS A 68 1.953 10.340 -5.722 1.00 0.00 C ATOM 1030 CD LYS A 68 1.755 11.728 -5.137 1.00 0.00 C ATOM 1031 CE LYS A 68 0.357 12.253 -5.426 1.00 0.00 C ATOM 1032 NZ LYS A 68 0.231 12.753 -6.824 1.00 0.00 N ATOM 0 H LYS A 68 4.317 9.411 -5.999 1.00 0.00 H new ATOM 0 HA LYS A 68 3.626 10.157 -3.293 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.042 8.304 -5.069 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.461 9.423 -3.852 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.797 10.355 -6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.072 10.062 -6.301 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.920 11.698 -4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.496 12.410 -5.554 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.371 11.460 -5.257 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.120 13.057 -4.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.173 13.791 -6.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.061 12.456 -7.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.630 12.361 -7.257 1.00 0.00 H new ATOM 1046 N VAL A 69 4.194 7.000 -4.095 1.00 0.00 N ATOM 1047 CA VAL A 69 4.519 5.692 -3.532 1.00 0.00 C ATOM 1048 C VAL A 69 5.713 5.783 -2.597 1.00 0.00 C ATOM 1049 O VAL A 69 5.653 5.346 -1.448 1.00 0.00 O ATOM 1050 CB VAL A 69 4.840 4.661 -4.628 1.00 0.00 C ATOM 1051 CG1 VAL A 69 4.991 3.275 -4.021 1.00 0.00 C ATOM 1052 CG2 VAL A 69 3.777 4.667 -5.714 1.00 0.00 C ATOM 0 H VAL A 69 4.201 7.035 -5.114 1.00 0.00 H new ATOM 0 HA VAL A 69 3.637 5.366 -2.981 1.00 0.00 H new ATOM 0 HB VAL A 69 5.786 4.939 -5.092 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.218 2.556 -4.808 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.802 3.283 -3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.062 2.991 -3.527 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.030 3.929 -6.475 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.809 4.421 -5.277 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.728 5.656 -6.170 1.00 0.00 H new ATOM 1062 N ASP A 70 6.802 6.350 -3.103 1.00 0.00 N ATOM 1063 CA ASP A 70 8.022 6.501 -2.318 1.00 0.00 C ATOM 1064 C ASP A 70 7.694 7.072 -0.945 1.00 0.00 C ATOM 1065 O ASP A 70 8.016 6.478 0.082 1.00 0.00 O ATOM 1066 CB ASP A 70 9.013 7.409 -3.046 1.00 0.00 C ATOM 1067 CG ASP A 70 10.366 7.452 -2.366 1.00 0.00 C ATOM 1068 OD1 ASP A 70 10.809 6.400 -1.860 1.00 0.00 O ATOM 1069 OD2 ASP A 70 10.981 8.538 -2.337 1.00 0.00 O ATOM 0 H ASP A 70 6.865 6.713 -4.054 1.00 0.00 H new ATOM 0 HA ASP A 70 8.479 5.520 -2.190 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.136 7.060 -4.071 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.605 8.418 -3.100 1.00 0.00 H new ATOM 1074 N GLU A 71 7.039 8.228 -0.943 1.00 0.00 N ATOM 1075 CA GLU A 71 6.645 8.883 0.297 1.00 0.00 C ATOM 1076 C GLU A 71 5.940 7.895 1.218 1.00 0.00 C ATOM 1077 O GLU A 71 6.285 7.784 2.393 1.00 0.00 O ATOM 1078 CB GLU A 71 5.757 10.088 -0.022 1.00 0.00 C ATOM 1079 CG GLU A 71 6.446 11.437 0.171 1.00 0.00 C ATOM 1080 CD GLU A 71 7.845 11.507 -0.424 1.00 0.00 C ATOM 1081 OE1 GLU A 71 8.631 10.558 -0.231 1.00 0.00 O ATOM 1082 OE2 GLU A 71 8.155 12.525 -1.077 1.00 0.00 O ATOM 0 H GLU A 71 6.770 8.731 -1.789 1.00 0.00 H new ATOM 0 HA GLU A 71 7.532 9.240 0.820 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.415 10.011 -1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.871 10.051 0.611 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.831 12.216 -0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.504 11.655 1.237 1.00 0.00 H new ATOM 1089 N ALA A 72 4.972 7.158 0.679 1.00 0.00 N ATOM 1090 CA ALA A 72 4.243 6.164 1.462 1.00 0.00 C ATOM 1091 C ALA A 72 5.197 5.334 2.305 1.00 0.00 C ATOM 1092 O ALA A 72 5.025 5.196 3.513 1.00 0.00 O ATOM 1093 CB ALA A 72 3.470 5.241 0.535 1.00 0.00 C ATOM 0 H ALA A 72 4.675 7.230 -0.294 1.00 0.00 H new ATOM 0 HA ALA A 72 3.554 6.691 2.122 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.929 4.502 1.126 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.762 5.825 -0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.164 4.733 -0.134 1.00 0.00 H new ATOM 1099 N VAL A 73 6.202 4.784 1.646 1.00 0.00 N ATOM 1100 CA VAL A 73 7.189 3.958 2.316 1.00 0.00 C ATOM 1101 C VAL A 73 7.797 4.680 3.516 1.00 0.00 C ATOM 1102 O VAL A 73 7.984 4.088 4.573 1.00 0.00 O ATOM 1103 CB VAL A 73 8.310 3.527 1.351 1.00 0.00 C ATOM 1104 CG1 VAL A 73 9.197 2.477 2.000 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.729 3.011 0.038 1.00 0.00 C ATOM 0 H VAL A 73 6.356 4.896 0.644 1.00 0.00 H new ATOM 0 HA VAL A 73 6.669 3.068 2.669 1.00 0.00 H new ATOM 0 HB VAL A 73 8.922 4.401 1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.983 2.184 1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.647 2.889 2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.598 1.604 2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.540 2.713 -0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.088 2.152 0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.143 3.799 -0.435 1.00 0.00 H new ATOM 1115 N ALA A 74 8.100 5.961 3.355 1.00 0.00 N ATOM 1116 CA ALA A 74 8.679 6.741 4.439 1.00 0.00 C ATOM 1117 C ALA A 74 7.643 7.036 5.522 1.00 0.00 C ATOM 1118 O ALA A 74 7.873 6.780 6.704 1.00 0.00 O ATOM 1119 CB ALA A 74 9.269 8.036 3.907 1.00 0.00 C ATOM 0 H ALA A 74 7.955 6.480 2.489 1.00 0.00 H new ATOM 0 HA ALA A 74 9.477 6.149 4.887 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.697 8.606 4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.048 7.809 3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.485 8.623 3.428 1.00 0.00 H new ATOM 1125 N VAL A 75 6.510 7.594 5.110 1.00 0.00 N ATOM 1126 CA VAL A 75 5.441 7.945 6.043 1.00 0.00 C ATOM 1127 C VAL A 75 4.755 6.728 6.643 1.00 0.00 C ATOM 1128 O VAL A 75 4.787 6.517 7.851 1.00 0.00 O ATOM 1129 CB VAL A 75 4.377 8.822 5.362 1.00 0.00 C ATOM 1130 CG1 VAL A 75 3.886 8.222 4.051 1.00 0.00 C ATOM 1131 CG2 VAL A 75 3.216 9.111 6.308 1.00 0.00 C ATOM 0 H VAL A 75 6.306 7.814 4.135 1.00 0.00 H new ATOM 0 HA VAL A 75 5.924 8.497 6.849 1.00 0.00 H new ATOM 0 HB VAL A 75 4.856 9.769 5.115 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.136 8.878 3.609 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.725 8.114 3.363 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.445 7.243 4.241 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.479 9.733 5.800 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.752 8.173 6.612 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.587 9.634 7.189 1.00 0.00 H new ATOM 1141 N LEU A 76 4.111 5.949 5.795 1.00 0.00 N ATOM 1142 CA LEU A 76 3.378 4.769 6.253 1.00 0.00 C ATOM 1143 C LEU A 76 4.244 3.909 7.158 1.00 0.00 C ATOM 1144 O LEU A 76 3.848 3.571 8.274 1.00 0.00 O ATOM 1145 CB LEU A 76 2.884 3.931 5.071 1.00 0.00 C ATOM 1146 CG LEU A 76 2.350 2.545 5.445 1.00 0.00 C ATOM 1147 CD1 LEU A 76 0.934 2.362 4.938 1.00 0.00 C ATOM 1148 CD2 LEU A 76 3.265 1.456 4.909 1.00 0.00 C ATOM 0 H LEU A 76 4.076 6.105 4.788 1.00 0.00 H new ATOM 0 HA LEU A 76 2.515 5.123 6.817 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.096 4.482 4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.703 3.810 4.362 1.00 0.00 H new ATOM 0 HG LEU A 76 2.331 2.466 6.532 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.574 1.371 5.214 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.288 3.120 5.382 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.920 2.464 3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.868 0.479 5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.322 1.531 3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.262 1.576 5.334 1.00 0.00 H new ATOM 1160 N GLN A 77 5.428 3.563 6.677 1.00 0.00 N ATOM 1161 CA GLN A 77 6.341 2.751 7.463 1.00 0.00 C ATOM 1162 C GLN A 77 6.518 3.376 8.848 1.00 0.00 C ATOM 1163 O GLN A 77 6.692 2.676 9.845 1.00 0.00 O ATOM 1164 CB GLN A 77 7.692 2.612 6.760 1.00 0.00 C ATOM 1165 CG GLN A 77 8.499 1.410 7.221 1.00 0.00 C ATOM 1166 CD GLN A 77 9.911 1.779 7.628 1.00 0.00 C ATOM 1167 OE1 GLN A 77 10.124 2.457 8.632 1.00 0.00 O ATOM 1168 NE2 GLN A 77 10.885 1.330 6.846 1.00 0.00 N ATOM 0 H GLN A 77 5.776 3.829 5.756 1.00 0.00 H new ATOM 0 HA GLN A 77 5.919 1.752 7.572 1.00 0.00 H new ATOM 0 HB2 GLN A 77 7.526 2.537 5.685 1.00 0.00 H new ATOM 0 HB3 GLN A 77 8.275 3.517 6.930 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.993 0.939 8.064 1.00 0.00 H new ATOM 0 HG3 GLN A 77 8.537 0.673 6.419 1.00 0.00 H new ATOM 0 HE21 GLN A 77 10.661 0.771 6.023 1.00 0.00 H new ATOM 0 HE22 GLN A 77 11.857 1.544 7.068 1.00 0.00 H new ATOM 1177 N ALA A 78 6.450 4.710 8.893 1.00 0.00 N ATOM 1178 CA ALA A 78 6.583 5.455 10.142 1.00 0.00 C ATOM 1179 C ALA A 78 5.264 5.478 10.916 1.00 0.00 C ATOM 1180 O ALA A 78 5.220 5.126 12.095 1.00 0.00 O ATOM 1181 CB ALA A 78 7.049 6.877 9.860 1.00 0.00 C ATOM 0 H ALA A 78 6.303 5.296 8.071 1.00 0.00 H new ATOM 0 HA ALA A 78 7.328 4.950 10.757 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.144 7.422 10.799 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.015 6.850 9.357 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.321 7.379 9.222 1.00 0.00 H new ATOM 1187 N HIS A 79 4.194 5.902 10.246 1.00 0.00 N ATOM 1188 CA HIS A 79 2.876 5.979 10.868 1.00 0.00 C ATOM 1189 C HIS A 79 2.304 4.586 11.109 1.00 0.00 C ATOM 1190 O HIS A 79 2.270 4.109 12.244 1.00 0.00 O ATOM 1191 CB HIS A 79 1.919 6.793 9.990 1.00 0.00 C ATOM 1192 CG HIS A 79 1.626 8.160 10.530 1.00 0.00 C ATOM 1193 ND1 HIS A 79 0.493 8.454 11.259 1.00 0.00 N ATOM 1194 CD2 HIS A 79 2.322 9.318 10.439 1.00 0.00 C ATOM 1195 CE1 HIS A 79 0.501 9.732 11.590 1.00 0.00 C ATOM 1196 NE2 HIS A 79 1.601 10.279 11.106 1.00 0.00 N ATOM 0 H HIS A 79 4.216 6.198 9.270 1.00 0.00 H new ATOM 0 HA HIS A 79 2.986 6.477 11.831 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.348 6.890 8.993 1.00 0.00 H new ATOM 0 HB3 HIS A 79 0.983 6.245 9.883 1.00 0.00 H new ATOM 0 HD2 HIS A 79 3.267 9.460 9.936 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -0.262 10.243 12.159 1.00 0.00 H new ATOM 0 HE2 HIS A 79 1.872 11.257 11.210 1.00 0.00 H new ATOM 1204 N GLN A 80 1.857 3.938 10.038 1.00 0.00 N ATOM 1205 CA GLN A 80 1.286 2.599 10.137 1.00 0.00 C ATOM 1206 C GLN A 80 2.365 1.582 10.500 1.00 0.00 C ATOM 1207 O GLN A 80 2.753 0.750 9.679 1.00 0.00 O ATOM 1208 CB GLN A 80 0.618 2.209 8.815 1.00 0.00 C ATOM 1209 CG GLN A 80 -0.644 1.382 8.991 1.00 0.00 C ATOM 1210 CD GLN A 80 -0.357 -0.029 9.462 1.00 0.00 C ATOM 1211 OE1 GLN A 80 -0.344 -0.970 8.670 1.00 0.00 O ATOM 1212 NE2 GLN A 80 -0.124 -0.183 10.760 1.00 0.00 N ATOM 0 H GLN A 80 1.879 4.318 9.092 1.00 0.00 H new ATOM 0 HA GLN A 80 0.533 2.603 10.925 1.00 0.00 H new ATOM 0 HB2 GLN A 80 0.374 3.115 8.260 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.329 1.646 8.210 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -1.299 1.874 9.710 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -1.182 1.342 8.044 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -0.145 0.626 11.381 1.00 0.00 H new ATOM 0 HE22 GLN A 80 0.076 -1.110 11.136 1.00 0.00 H new ATOM 1221 N ALA A 81 2.847 1.661 11.735 1.00 0.00 N ATOM 1222 CA ALA A 81 3.884 0.755 12.211 1.00 0.00 C ATOM 1223 C ALA A 81 3.280 -0.500 12.830 1.00 0.00 C ATOM 1224 O ALA A 81 2.059 -0.637 12.912 1.00 0.00 O ATOM 1225 CB ALA A 81 4.776 1.464 13.218 1.00 0.00 C ATOM 0 H ALA A 81 2.535 2.344 12.425 1.00 0.00 H new ATOM 0 HA ALA A 81 4.486 0.450 11.355 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.547 0.778 13.567 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.245 2.327 12.745 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.176 1.797 14.065 1.00 0.00 H new ATOM 1231 N LYS A 82 4.143 -1.411 13.265 1.00 0.00 N ATOM 1232 CA LYS A 82 3.692 -2.655 13.880 1.00 0.00 C ATOM 1233 C LYS A 82 2.914 -2.374 15.161 1.00 0.00 C ATOM 1234 O LYS A 82 2.733 -1.218 15.548 1.00 0.00 O ATOM 1235 CB LYS A 82 4.885 -3.566 14.179 1.00 0.00 C ATOM 1236 CG LYS A 82 6.031 -2.865 14.893 1.00 0.00 C ATOM 1237 CD LYS A 82 7.368 -3.174 14.238 1.00 0.00 C ATOM 1238 CE LYS A 82 8.534 -2.773 15.129 1.00 0.00 C ATOM 1239 NZ LYS A 82 9.604 -2.075 14.365 1.00 0.00 N ATOM 0 H LYS A 82 5.156 -1.313 13.204 1.00 0.00 H new ATOM 0 HA LYS A 82 3.030 -3.161 13.177 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.547 -4.403 14.790 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.254 -3.984 13.243 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.861 -1.788 14.886 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.056 -3.177 15.937 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.428 -4.240 14.017 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.438 -2.647 13.287 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.174 -2.123 15.926 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.949 -3.661 15.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.380 -1.819 15.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.966 -2.704 13.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.215 -1.213 13.931 1.00 0.00 H new ATOM 1253 N GLU A 83 2.457 -3.436 15.816 1.00 0.00 N ATOM 1254 CA GLU A 83 1.697 -3.301 17.053 1.00 0.00 C ATOM 1255 C GLU A 83 2.625 -3.275 18.262 1.00 0.00 C ATOM 1256 O GLU A 83 3.536 -4.094 18.377 1.00 0.00 O ATOM 1257 CB GLU A 83 0.692 -4.446 17.189 1.00 0.00 C ATOM 1258 CG GLU A 83 -0.395 -4.434 16.127 1.00 0.00 C ATOM 1259 CD GLU A 83 -1.393 -3.308 16.322 1.00 0.00 C ATOM 1260 OE1 GLU A 83 -1.030 -2.297 16.960 1.00 0.00 O ATOM 1261 OE2 GLU A 83 -2.536 -3.436 15.837 1.00 0.00 O ATOM 0 H GLU A 83 2.600 -4.399 15.511 1.00 0.00 H new ATOM 0 HA GLU A 83 1.155 -2.356 17.014 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.226 -5.395 17.139 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.227 -4.394 18.173 1.00 0.00 H new ATOM 0 HG2 GLU A 83 0.065 -4.340 15.143 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.922 -5.388 16.142 1.00 0.00 H new ATOM 1268 N ALA A 84 2.387 -2.325 19.161 1.00 0.00 N ATOM 1269 CA ALA A 84 3.200 -2.187 20.364 1.00 0.00 C ATOM 1270 C ALA A 84 2.833 -3.241 21.401 1.00 0.00 C ATOM 1271 O ALA A 84 1.906 -3.057 22.188 1.00 0.00 O ATOM 1272 CB ALA A 84 3.040 -0.793 20.949 1.00 0.00 C ATOM 0 H ALA A 84 1.637 -1.639 19.079 1.00 0.00 H new ATOM 0 HA ALA A 84 4.243 -2.338 20.086 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.652 -0.703 21.847 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.359 -0.052 20.216 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.994 -0.623 21.204 1.00 0.00 H new ATOM 1278 N ALA A 85 3.571 -4.347 21.397 1.00 0.00 N ATOM 1279 CA ALA A 85 3.327 -5.431 22.342 1.00 0.00 C ATOM 1280 C ALA A 85 3.586 -4.983 23.777 1.00 0.00 C ATOM 1281 O ALA A 85 3.154 -5.634 24.728 1.00 0.00 O ATOM 1282 CB ALA A 85 4.193 -6.633 21.997 1.00 0.00 C ATOM 0 H ALA A 85 4.342 -4.516 20.751 1.00 0.00 H new ATOM 0 HA ALA A 85 2.278 -5.716 22.266 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.002 -7.436 22.709 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.954 -6.977 20.991 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.244 -6.349 22.043 1.00 0.00 H new ATOM 1288 N GLN A 86 4.296 -3.869 23.928 1.00 0.00 N ATOM 1289 CA GLN A 86 4.614 -3.336 25.248 1.00 0.00 C ATOM 1290 C GLN A 86 3.478 -2.465 25.777 1.00 0.00 C ATOM 1291 O GLN A 86 3.636 -1.255 25.940 1.00 0.00 O ATOM 1292 CB GLN A 86 5.913 -2.530 25.194 1.00 0.00 C ATOM 1293 CG GLN A 86 6.577 -2.353 26.549 1.00 0.00 C ATOM 1294 CD GLN A 86 7.582 -1.219 26.559 1.00 0.00 C ATOM 1295 OE1 GLN A 86 8.169 -0.884 25.530 1.00 0.00 O ATOM 1296 NE2 GLN A 86 7.787 -0.619 27.727 1.00 0.00 N ATOM 0 H GLN A 86 4.662 -3.318 23.152 1.00 0.00 H new ATOM 0 HA GLN A 86 4.744 -4.177 25.930 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.611 -3.026 24.519 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.704 -1.548 24.770 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.813 -2.163 27.303 1.00 0.00 H new ATOM 0 HG3 GLN A 86 7.077 -3.280 26.829 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.279 -0.929 28.555 1.00 0.00 H new ATOM 0 HE22 GLN A 86 8.452 0.151 27.795 1.00 0.00 H new ATOM 1305 N LYS A 87 2.335 -3.087 26.044 1.00 0.00 N ATOM 1306 CA LYS A 87 1.175 -2.367 26.557 1.00 0.00 C ATOM 1307 C LYS A 87 1.228 -2.266 28.078 1.00 0.00 C ATOM 1308 O LYS A 87 1.834 -3.103 28.745 1.00 0.00 O ATOM 1309 CB LYS A 87 -0.117 -3.063 26.127 1.00 0.00 C ATOM 1310 CG LYS A 87 -1.285 -2.109 25.925 1.00 0.00 C ATOM 1311 CD LYS A 87 -2.488 -2.506 26.771 1.00 0.00 C ATOM 1312 CE LYS A 87 -3.039 -1.320 27.547 1.00 0.00 C ATOM 1313 NZ LYS A 87 -4.401 -1.591 28.084 1.00 0.00 N ATOM 0 H LYS A 87 2.187 -4.088 25.914 1.00 0.00 H new ATOM 0 HA LYS A 87 1.192 -1.360 26.141 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.064 -3.605 25.198 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.389 -3.803 26.880 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.977 -1.096 26.183 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.568 -2.097 24.872 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.267 -2.915 26.128 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.201 -3.295 27.466 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.366 -1.080 28.370 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.072 -0.445 26.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.740 -0.758 28.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.050 -1.795 27.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.365 -2.410 28.724 1.00 0.00 H new ATOM 1327 N ALA A 88 0.587 -1.236 28.622 1.00 0.00 N ATOM 1328 CA ALA A 88 0.561 -1.029 30.064 1.00 0.00 C ATOM 1329 C ALA A 88 -0.286 -2.094 30.748 1.00 0.00 C ATOM 1330 O ALA A 88 -1.386 -2.410 30.296 1.00 0.00 O ATOM 1331 CB ALA A 88 0.031 0.359 30.392 1.00 0.00 C ATOM 0 H ALA A 88 0.079 -0.533 28.085 1.00 0.00 H new ATOM 0 HA ALA A 88 1.582 -1.111 30.438 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.018 0.497 31.473 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.676 1.111 29.938 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.981 0.464 30.001 1.00 0.00 H new ATOM 1337 N VAL A 89 0.235 -2.653 31.835 1.00 0.00 N ATOM 1338 CA VAL A 89 -0.482 -3.689 32.566 1.00 0.00 C ATOM 1339 C VAL A 89 -1.503 -3.086 33.529 1.00 0.00 C ATOM 1340 O VAL A 89 -2.627 -3.575 33.637 1.00 0.00 O ATOM 1341 CB VAL A 89 0.484 -4.616 33.334 1.00 0.00 C ATOM 1342 CG1 VAL A 89 1.264 -3.853 34.396 1.00 0.00 C ATOM 1343 CG2 VAL A 89 -0.275 -5.782 33.949 1.00 0.00 C ATOM 0 H VAL A 89 1.144 -2.408 32.226 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.014 -4.287 31.826 1.00 0.00 H new ATOM 0 HB VAL A 89 1.207 -5.012 32.621 1.00 0.00 H new ATOM 0 HG11 VAL A 89 1.934 -4.537 34.917 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.848 -3.064 33.922 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.569 -3.411 35.110 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.421 -6.426 34.487 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.027 -5.402 34.641 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.764 -6.354 33.161 1.00 0.00 H new ATOM 1353 N ASN A 90 -1.115 -2.019 34.222 1.00 0.00 N ATOM 1354 CA ASN A 90 -2.009 -1.351 35.163 1.00 0.00 C ATOM 1355 C ASN A 90 -2.524 -0.034 34.585 1.00 0.00 C ATOM 1356 O ASN A 90 -2.546 0.990 35.271 1.00 0.00 O ATOM 1357 CB ASN A 90 -1.293 -1.098 36.491 1.00 0.00 C ATOM 1358 CG ASN A 90 -1.502 -2.228 37.482 1.00 0.00 C ATOM 1359 OD1 ASN A 90 -0.551 -2.895 37.890 1.00 0.00 O ATOM 1360 ND2 ASN A 90 -2.752 -2.446 37.876 1.00 0.00 N ATOM 0 H ASN A 90 -0.188 -1.599 34.150 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.862 -2.005 35.341 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.226 -0.971 36.308 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.655 -0.166 36.925 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.954 -3.191 38.543 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -3.510 -1.868 37.512 1.00 0.00 H new ATOM 1367 N SER A 91 -2.933 -0.062 33.321 1.00 0.00 N ATOM 1368 CA SER A 91 -3.440 1.133 32.656 1.00 0.00 C ATOM 1369 C SER A 91 -4.840 1.486 33.150 1.00 0.00 C ATOM 1370 O SER A 91 -5.143 2.652 33.405 1.00 0.00 O ATOM 1371 CB SER A 91 -3.452 0.929 31.140 1.00 0.00 C ATOM 1372 OG SER A 91 -2.663 1.908 30.488 1.00 0.00 O ATOM 0 H SER A 91 -2.923 -0.898 32.737 1.00 0.00 H new ATOM 0 HA SER A 91 -2.776 1.962 32.899 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.075 -0.065 30.901 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.477 0.978 30.771 1.00 0.00 H new ATOM 0 HG SER A 91 -2.685 1.755 29.520 1.00 0.00 H new ATOM 1378 N ALA A 92 -5.690 0.473 33.283 1.00 0.00 N ATOM 1379 CA ALA A 92 -7.057 0.678 33.746 1.00 0.00 C ATOM 1380 C ALA A 92 -7.097 0.940 35.249 1.00 0.00 C ATOM 1381 O ALA A 92 -6.644 0.116 36.044 1.00 0.00 O ATOM 1382 CB ALA A 92 -7.918 -0.526 33.393 1.00 0.00 C ATOM 0 H ALA A 92 -5.456 -0.498 33.077 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.457 1.558 33.242 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.937 -0.360 33.744 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.925 -0.664 32.312 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.510 -1.417 33.870 1.00 0.00 H new ATOM 1388 N THR A 93 -7.650 2.090 35.631 1.00 0.00 N ATOM 1389 CA THR A 93 -7.753 2.454 37.040 1.00 0.00 C ATOM 1390 C THR A 93 -9.176 2.246 37.550 1.00 0.00 C ATOM 1391 O THR A 93 -10.072 3.041 37.264 1.00 0.00 O ATOM 1392 CB THR A 93 -7.327 3.909 37.256 1.00 0.00 C ATOM 1393 OG1 THR A 93 -7.433 4.259 38.628 1.00 0.00 O ATOM 1394 CG2 THR A 93 -8.140 4.905 36.452 1.00 0.00 C ATOM 0 H THR A 93 -8.032 2.782 34.986 1.00 0.00 H new ATOM 0 HA THR A 93 -7.082 1.806 37.604 1.00 0.00 H new ATOM 0 HB THR A 93 -6.294 3.963 36.913 1.00 0.00 H new ATOM 0 HG1 THR A 93 -7.156 5.191 38.750 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.783 5.915 36.655 1.00 0.00 H new ATOM 0 HG22 THR A 93 -8.032 4.689 35.389 1.00 0.00 H new ATOM 0 HG23 THR A 93 -9.190 4.828 36.733 1.00 0.00 H new ATOM 1402 N GLY A 94 -9.376 1.173 38.307 1.00 0.00 N ATOM 1403 CA GLY A 94 -10.691 0.883 38.846 1.00 0.00 C ATOM 1404 C GLY A 94 -11.017 1.739 40.053 1.00 0.00 C ATOM 1405 O GLY A 94 -10.282 1.737 41.039 1.00 0.00 O ATOM 0 H GLY A 94 -8.652 0.500 38.557 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.442 1.046 38.073 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.744 -0.170 39.124 1.00 0.00 H new ATOM 1409 N VAL A 95 -12.122 2.473 39.976 1.00 0.00 N ATOM 1410 CA VAL A 95 -12.539 3.336 41.075 1.00 0.00 C ATOM 1411 C VAL A 95 -13.709 2.722 41.840 1.00 0.00 C ATOM 1412 O VAL A 95 -14.653 2.213 41.236 1.00 0.00 O ATOM 1413 CB VAL A 95 -12.941 4.739 40.577 1.00 0.00 C ATOM 1414 CG1 VAL A 95 -11.706 5.574 40.267 1.00 0.00 C ATOM 1415 CG2 VAL A 95 -13.846 4.641 39.359 1.00 0.00 C ATOM 0 H VAL A 95 -12.743 2.488 39.167 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.682 3.433 41.741 1.00 0.00 H new ATOM 0 HB VAL A 95 -13.497 5.236 41.372 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -12.012 6.560 39.917 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -11.103 5.680 41.169 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -11.118 5.081 39.493 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -14.117 5.643 39.025 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.322 4.121 38.557 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -14.749 4.089 39.620 1.00 0.00 H new ATOM 1425 N PRO A 96 -13.662 2.760 43.184 1.00 0.00 N ATOM 1426 CA PRO A 96 -14.725 2.200 44.025 1.00 0.00 C ATOM 1427 C PRO A 96 -16.020 3.000 43.930 1.00 0.00 C ATOM 1428 O PRO A 96 -17.103 2.431 43.785 1.00 0.00 O ATOM 1429 CB PRO A 96 -14.146 2.288 45.439 1.00 0.00 C ATOM 1430 CG PRO A 96 -13.151 3.395 45.373 1.00 0.00 C ATOM 1431 CD PRO A 96 -12.573 3.347 43.987 1.00 0.00 C ATOM 0 HA PRO A 96 -14.992 1.187 43.722 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -14.924 2.498 46.173 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -13.675 1.350 45.733 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -13.624 4.358 45.566 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -12.373 3.266 46.125 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -12.301 4.340 43.630 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -11.671 2.736 43.949 1.00 0.00 H new ATOM 1439 N THR A 97 -15.901 4.319 44.013 1.00 0.00 N ATOM 1440 CA THR A 97 -17.063 5.197 43.937 1.00 0.00 C ATOM 1441 C THR A 97 -17.338 5.614 42.495 1.00 0.00 C ATOM 1442 O THR A 97 -16.433 6.040 41.778 1.00 0.00 O ATOM 1443 CB THR A 97 -16.850 6.437 44.807 1.00 0.00 C ATOM 1444 OG1 THR A 97 -15.575 7.007 44.563 1.00 0.00 O ATOM 1445 CG2 THR A 97 -16.950 6.152 46.289 1.00 0.00 C ATOM 0 H THR A 97 -15.012 4.805 44.133 1.00 0.00 H new ATOM 0 HA THR A 97 -17.927 4.646 44.308 1.00 0.00 H new ATOM 0 HB THR A 97 -17.649 7.125 44.532 1.00 0.00 H new ATOM 0 HG1 THR A 97 -15.424 7.068 43.597 1.00 0.00 H new ATOM 0 HG21 THR A 97 -16.789 7.074 46.848 1.00 0.00 H new ATOM 0 HG22 THR A 97 -17.940 5.757 46.518 1.00 0.00 H new ATOM 0 HG23 THR A 97 -16.193 5.420 46.571 1.00 0.00 H new ATOM 1453 N VAL A 98 -18.593 5.485 42.078 1.00 0.00 N ATOM 1454 CA VAL A 98 -18.988 5.848 40.721 1.00 0.00 C ATOM 1455 C VAL A 98 -20.202 6.772 40.733 1.00 0.00 C ATOM 1456 O VAL A 98 -20.411 7.485 39.729 1.00 0.00 O ATOM 1457 CB VAL A 98 -19.310 4.596 39.879 1.00 0.00 C ATOM 1458 CG1 VAL A 98 -20.449 3.803 40.505 1.00 0.00 C ATOM 1459 CG2 VAL A 98 -19.643 4.983 38.446 1.00 0.00 C ATOM 1460 OXT VAL A 98 -20.932 6.776 41.746 1.00 0.00 O ATOM 0 H VAL A 98 -19.354 5.132 42.659 1.00 0.00 H new ATOM 0 HA VAL A 98 -18.144 6.371 40.270 1.00 0.00 H new ATOM 0 HB VAL A 98 -18.425 3.960 39.862 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -20.659 2.925 39.895 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -20.164 3.488 41.509 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -21.340 4.428 40.560 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -19.867 4.086 37.869 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -20.510 5.644 38.440 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -18.791 5.497 38.001 1.00 0.00 H new TER 1470 VAL A 98 ATOM 1471 N VAL B 1 13.664 19.875 7.364 1.00 0.00 N ATOM 1472 CA VAL B 1 13.380 18.546 6.762 1.00 0.00 C ATOM 1473 C VAL B 1 11.891 18.217 6.833 1.00 0.00 C ATOM 1474 O VAL B 1 11.248 18.419 7.863 1.00 0.00 O ATOM 1475 CB VAL B 1 14.182 17.430 7.467 1.00 0.00 C ATOM 1476 CG1 VAL B 1 13.887 17.416 8.960 1.00 0.00 C ATOM 1477 CG2 VAL B 1 13.883 16.075 6.843 1.00 0.00 C ATOM 0 H1 VAL B 1 14.690 19.988 7.488 1.00 0.00 H new ATOM 0 H2 VAL B 1 13.307 20.624 6.737 1.00 0.00 H new ATOM 0 H3 VAL B 1 13.194 19.945 8.289 1.00 0.00 H new ATOM 0 HA VAL B 1 13.685 18.597 5.717 1.00 0.00 H new ATOM 0 HB VAL B 1 15.244 17.637 7.333 1.00 0.00 H new ATOM 0 HG11 VAL B 1 14.462 16.622 9.437 1.00 0.00 H new ATOM 0 HG12 VAL B 1 14.164 18.376 9.395 1.00 0.00 H new ATOM 0 HG13 VAL B 1 12.823 17.239 9.119 1.00 0.00 H new ATOM 0 HG21 VAL B 1 14.459 15.304 7.355 1.00 0.00 H new ATOM 0 HG22 VAL B 1 12.819 15.857 6.938 1.00 0.00 H new ATOM 0 HG23 VAL B 1 14.157 16.092 5.788 1.00 0.00 H new ATOM 1489 N LEU B 2 11.351 17.711 5.728 1.00 0.00 N ATOM 1490 CA LEU B 2 9.939 17.352 5.658 1.00 0.00 C ATOM 1491 C LEU B 2 9.670 16.054 6.416 1.00 0.00 C ATOM 1492 O LEU B 2 10.125 14.984 6.012 1.00 0.00 O ATOM 1493 CB LEU B 2 9.505 17.205 4.198 1.00 0.00 C ATOM 1494 CG LEU B 2 8.207 17.929 3.831 1.00 0.00 C ATOM 1495 CD1 LEU B 2 7.076 17.499 4.753 1.00 0.00 C ATOM 1496 CD2 LEU B 2 8.405 19.435 3.889 1.00 0.00 C ATOM 0 H LEU B 2 11.871 17.540 4.868 1.00 0.00 H new ATOM 0 HA LEU B 2 9.360 18.149 6.125 1.00 0.00 H new ATOM 0 HB2 LEU B 2 10.305 17.578 3.558 1.00 0.00 H new ATOM 0 HB3 LEU B 2 9.387 16.145 3.975 1.00 0.00 H new ATOM 0 HG LEU B 2 7.936 17.658 2.811 1.00 0.00 H new ATOM 0 HD11 LEU B 2 6.162 18.024 4.477 1.00 0.00 H new ATOM 0 HD12 LEU B 2 6.919 16.424 4.660 1.00 0.00 H new ATOM 0 HD13 LEU B 2 7.335 17.740 5.784 1.00 0.00 H new ATOM 0 HD21 LEU B 2 7.473 19.935 3.625 1.00 0.00 H new ATOM 0 HD22 LEU B 2 8.700 19.725 4.898 1.00 0.00 H new ATOM 0 HD23 LEU B 2 9.185 19.727 3.185 1.00 0.00 H new ATOM 1508 N MET B 3 8.928 16.155 7.514 1.00 0.00 N ATOM 1509 CA MET B 3 8.600 14.988 8.325 1.00 0.00 C ATOM 1510 C MET B 3 7.376 14.264 7.765 1.00 0.00 C ATOM 1511 O MET B 3 7.327 13.035 7.741 1.00 0.00 O ATOM 1512 CB MET B 3 8.352 15.404 9.777 1.00 0.00 C ATOM 1513 CG MET B 3 9.525 15.112 10.700 1.00 0.00 C ATOM 1514 SD MET B 3 9.513 13.421 11.325 1.00 0.00 S ATOM 1515 CE MET B 3 10.523 12.599 10.096 1.00 0.00 C ATOM 0 H MET B 3 8.543 17.033 7.863 1.00 0.00 H new ATOM 0 HA MET B 3 9.446 14.302 8.295 1.00 0.00 H new ATOM 0 HB2 MET B 3 8.132 16.471 9.808 1.00 0.00 H new ATOM 0 HB3 MET B 3 7.469 14.885 10.150 1.00 0.00 H new ATOM 0 HG2 MET B 3 10.457 15.290 10.164 1.00 0.00 H new ATOM 0 HG3 MET B 3 9.503 15.806 11.540 1.00 0.00 H new ATOM 0 HE1 MET B 3 10.976 11.709 10.533 1.00 0.00 H new ATOM 0 HE2 MET B 3 9.902 12.311 9.248 1.00 0.00 H new ATOM 0 HE3 MET B 3 11.307 13.276 9.757 1.00 0.00 H new ATOM 1525 N SER B 4 6.393 15.038 7.313 1.00 0.00 N ATOM 1526 CA SER B 4 5.169 14.477 6.747 1.00 0.00 C ATOM 1527 C SER B 4 5.325 14.232 5.249 1.00 0.00 C ATOM 1528 O SER B 4 5.826 15.087 4.523 1.00 0.00 O ATOM 1529 CB SER B 4 3.991 15.422 6.994 1.00 0.00 C ATOM 1530 OG SER B 4 2.810 14.932 6.385 1.00 0.00 O ATOM 0 H SER B 4 6.420 16.058 7.328 1.00 0.00 H new ATOM 0 HA SER B 4 4.976 13.523 7.238 1.00 0.00 H new ATOM 0 HB2 SER B 4 3.831 15.537 8.066 1.00 0.00 H new ATOM 0 HB3 SER B 4 4.225 16.411 6.599 1.00 0.00 H new ATOM 0 HG SER B 4 2.071 15.552 6.558 1.00 0.00 H new ATOM 1536 N LYS B 5 4.897 13.060 4.790 1.00 0.00 N ATOM 1537 CA LYS B 5 5.001 12.714 3.376 1.00 0.00 C ATOM 1538 C LYS B 5 3.776 13.197 2.592 1.00 0.00 C ATOM 1539 O LYS B 5 2.789 13.649 3.174 1.00 0.00 O ATOM 1540 CB LYS B 5 5.146 11.205 3.211 1.00 0.00 C ATOM 1541 CG LYS B 5 6.550 10.676 3.500 1.00 0.00 C ATOM 1542 CD LYS B 5 7.013 11.001 4.911 1.00 0.00 C ATOM 1543 CE LYS B 5 8.193 11.961 4.900 1.00 0.00 C ATOM 1544 NZ LYS B 5 9.489 11.252 5.089 1.00 0.00 N ATOM 0 H LYS B 5 4.477 12.337 5.373 1.00 0.00 H new ATOM 0 HA LYS B 5 5.885 13.212 2.978 1.00 0.00 H new ATOM 0 HB2 LYS B 5 4.439 10.708 3.875 1.00 0.00 H new ATOM 0 HB3 LYS B 5 4.870 10.934 2.192 1.00 0.00 H new ATOM 0 HG2 LYS B 5 6.565 9.596 3.355 1.00 0.00 H new ATOM 0 HG3 LYS B 5 7.251 11.103 2.783 1.00 0.00 H new ATOM 0 HD2 LYS B 5 6.189 11.441 5.474 1.00 0.00 H new ATOM 0 HD3 LYS B 5 7.295 10.082 5.424 1.00 0.00 H new ATOM 0 HE2 LYS B 5 8.211 12.503 3.955 1.00 0.00 H new ATOM 0 HE3 LYS B 5 8.066 12.701 5.690 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 10.240 11.946 5.278 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 9.412 10.597 5.893 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 9.721 10.717 4.228 1.00 0.00 H new ATOM 1558 N LEU B 6 3.853 13.087 1.268 1.00 0.00 N ATOM 1559 CA LEU B 6 2.760 13.494 0.388 1.00 0.00 C ATOM 1560 C LEU B 6 1.560 12.574 0.566 1.00 0.00 C ATOM 1561 O LEU B 6 0.412 13.017 0.556 1.00 0.00 O ATOM 1562 CB LEU B 6 3.210 13.457 -1.077 1.00 0.00 C ATOM 1563 CG LEU B 6 4.515 14.197 -1.390 1.00 0.00 C ATOM 1564 CD1 LEU B 6 5.339 13.418 -2.409 1.00 0.00 C ATOM 1565 CD2 LEU B 6 4.221 15.603 -1.898 1.00 0.00 C ATOM 0 H LEU B 6 4.667 12.717 0.778 1.00 0.00 H new ATOM 0 HA LEU B 6 2.475 14.512 0.653 1.00 0.00 H new ATOM 0 HB2 LEU B 6 3.324 12.415 -1.377 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.417 13.881 -1.692 1.00 0.00 H new ATOM 0 HG LEU B 6 5.096 14.279 -0.471 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.262 13.958 -2.620 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.578 12.433 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.767 13.305 -3.330 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.159 16.115 -2.116 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.621 15.544 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU B 6 3.673 16.158 -1.136 1.00 0.00 H new ATOM 1577 N SER B 7 1.839 11.286 0.728 1.00 0.00 N ATOM 1578 CA SER B 7 0.792 10.291 0.907 1.00 0.00 C ATOM 1579 C SER B 7 0.830 9.721 2.322 1.00 0.00 C ATOM 1580 O SER B 7 1.274 8.593 2.538 1.00 0.00 O ATOM 1581 CB SER B 7 0.955 9.170 -0.115 1.00 0.00 C ATOM 1582 OG SER B 7 0.703 9.640 -1.429 1.00 0.00 O ATOM 0 H SER B 7 2.786 10.907 0.739 1.00 0.00 H new ATOM 0 HA SER B 7 -0.174 10.773 0.754 1.00 0.00 H new ATOM 0 HB2 SER B 7 1.965 8.765 -0.057 1.00 0.00 H new ATOM 0 HB3 SER B 7 0.271 8.355 0.121 1.00 0.00 H new ATOM 0 HG SER B 7 -0.199 9.374 -1.704 1.00 0.00 H new ATOM 1588 N VAL B 8 0.369 10.516 3.280 1.00 0.00 N ATOM 1589 CA VAL B 8 0.355 10.103 4.678 1.00 0.00 C ATOM 1590 C VAL B 8 -0.462 8.834 4.878 1.00 0.00 C ATOM 1591 O VAL B 8 -0.926 8.221 3.916 1.00 0.00 O ATOM 1592 CB VAL B 8 -0.213 11.215 5.578 1.00 0.00 C ATOM 1593 CG1 VAL B 8 0.733 12.405 5.613 1.00 0.00 C ATOM 1594 CG2 VAL B 8 -1.596 11.634 5.100 1.00 0.00 C ATOM 0 H VAL B 8 -0.001 11.452 3.114 1.00 0.00 H new ATOM 0 HA VAL B 8 1.389 9.904 4.958 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.309 10.827 6.592 1.00 0.00 H new ATOM 0 HG11 VAL B 8 0.316 13.182 6.254 1.00 0.00 H new ATOM 0 HG12 VAL B 8 1.700 12.090 6.006 1.00 0.00 H new ATOM 0 HG13 VAL B 8 0.862 12.797 4.604 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -1.982 12.421 5.748 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -1.530 12.006 4.077 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -2.267 10.776 5.132 1.00 0.00 H new ATOM 1604 N ASN B 9 -0.625 8.440 6.135 1.00 0.00 N ATOM 1605 CA ASN B 9 -1.375 7.238 6.471 1.00 0.00 C ATOM 1606 C ASN B 9 -2.893 7.450 6.339 1.00 0.00 C ATOM 1607 O ASN B 9 -3.646 7.165 7.268 1.00 0.00 O ATOM 1608 CB ASN B 9 -1.019 6.779 7.892 1.00 0.00 C ATOM 1609 CG ASN B 9 -1.643 7.648 8.972 1.00 0.00 C ATOM 1610 OD1 ASN B 9 -1.093 8.839 9.172 1.00 0.00 O flip ATOM 1611 ND2 ASN B 9 -2.608 7.247 9.622 1.00 0.00 N flip ATOM 0 H ASN B 9 -0.246 8.938 6.941 1.00 0.00 H new ATOM 0 HA ASN B 9 -1.095 6.462 5.759 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -1.348 5.749 8.028 1.00 0.00 H new ATOM 0 HB3 ASN B 9 0.065 6.786 8.009 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -3.000 6.324 9.436 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -3.016 7.838 10.347 1.00 0.00 H new ATOM 1618 N ALA B 10 -3.336 7.972 5.191 1.00 0.00 N ATOM 1619 CA ALA B 10 -4.758 8.239 4.967 1.00 0.00 C ATOM 1620 C ALA B 10 -5.636 7.025 5.281 1.00 0.00 C ATOM 1621 O ALA B 10 -5.137 5.983 5.705 1.00 0.00 O ATOM 1622 CB ALA B 10 -4.975 8.704 3.535 1.00 0.00 C ATOM 0 H ALA B 10 -2.732 8.217 4.406 1.00 0.00 H new ATOM 0 HA ALA B 10 -5.059 9.029 5.655 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -6.035 8.901 3.373 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -4.405 9.616 3.358 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -4.641 7.928 2.846 1.00 0.00 H new ATOM 1628 N PRO B 11 -6.969 7.156 5.088 1.00 0.00 N ATOM 1629 CA PRO B 11 -7.925 6.073 5.359 1.00 0.00 C ATOM 1630 C PRO B 11 -7.517 4.752 4.715 1.00 0.00 C ATOM 1631 O PRO B 11 -6.376 4.586 4.290 1.00 0.00 O ATOM 1632 CB PRO B 11 -9.228 6.593 4.750 1.00 0.00 C ATOM 1633 CG PRO B 11 -9.106 8.074 4.820 1.00 0.00 C ATOM 1634 CD PRO B 11 -7.648 8.375 4.604 1.00 0.00 C ATOM 0 HA PRO B 11 -7.995 5.850 6.424 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -9.349 6.253 3.722 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -10.096 6.239 5.307 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -9.721 8.554 4.059 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -9.444 8.449 5.786 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -7.429 8.566 3.553 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -7.334 9.258 5.161 1.00 0.00 H new ATOM 1642 N GLU B 12 -8.460 3.822 4.612 1.00 0.00 N ATOM 1643 CA GLU B 12 -8.204 2.533 3.979 1.00 0.00 C ATOM 1644 C GLU B 12 -8.338 2.624 2.462 1.00 0.00 C ATOM 1645 O GLU B 12 -8.621 3.689 1.913 1.00 0.00 O ATOM 1646 CB GLU B 12 -9.177 1.485 4.520 1.00 0.00 C ATOM 1647 CG GLU B 12 -8.526 0.478 5.449 1.00 0.00 C ATOM 1648 CD GLU B 12 -8.212 -0.834 4.758 1.00 0.00 C ATOM 1649 OE1 GLU B 12 -7.128 -0.936 4.146 1.00 0.00 O ATOM 1650 OE2 GLU B 12 -9.049 -1.759 4.831 1.00 0.00 O ATOM 0 H GLU B 12 -9.412 3.937 4.960 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.181 2.240 4.214 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.984 1.990 5.052 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -9.630 0.955 3.682 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -7.606 0.902 5.851 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -9.187 0.290 6.295 1.00 0.00 H new ATOM 1657 N PHE B 13 -8.166 1.487 1.795 1.00 0.00 N ATOM 1658 CA PHE B 13 -8.305 1.436 0.345 1.00 0.00 C ATOM 1659 C PHE B 13 -9.641 0.798 -0.023 1.00 0.00 C ATOM 1660 O PHE B 13 -9.873 -0.388 0.211 1.00 0.00 O ATOM 1661 CB PHE B 13 -7.136 0.711 -0.323 1.00 0.00 C ATOM 1662 CG PHE B 13 -7.095 -0.769 -0.100 1.00 0.00 C ATOM 1663 CD1 PHE B 13 -6.775 -1.300 1.141 1.00 0.00 C ATOM 1664 CD2 PHE B 13 -7.365 -1.631 -1.145 1.00 0.00 C ATOM 1665 CE1 PHE B 13 -6.730 -2.667 1.325 1.00 0.00 C ATOM 1666 CE2 PHE B 13 -7.320 -2.995 -0.962 1.00 0.00 C ATOM 1667 CZ PHE B 13 -7.004 -3.514 0.267 1.00 0.00 C ATOM 0 H PHE B 13 -7.932 0.595 2.232 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.286 2.458 -0.033 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -7.177 0.900 -1.396 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -6.204 1.144 0.042 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -6.560 -0.640 1.968 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -7.614 -1.231 -2.117 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -6.481 -3.075 2.294 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -7.534 -3.657 -1.788 1.00 0.00 H new ATOM 0 HZ PHE B 13 -6.969 -4.584 0.409 1.00 0.00 H new ATOM 1677 N TYR B 14 -10.507 1.614 -0.619 1.00 0.00 N ATOM 1678 CA TYR B 14 -11.830 1.182 -1.062 1.00 0.00 C ATOM 1679 C TYR B 14 -11.969 1.345 -2.579 1.00 0.00 C ATOM 1680 O TYR B 14 -11.044 1.825 -3.235 1.00 0.00 O ATOM 1681 CB TYR B 14 -12.897 1.990 -0.323 1.00 0.00 C ATOM 1682 CG TYR B 14 -12.681 2.037 1.172 1.00 0.00 C ATOM 1683 CD1 TYR B 14 -12.494 0.869 1.902 1.00 0.00 C ATOM 1684 CD2 TYR B 14 -12.666 3.247 1.853 1.00 0.00 C ATOM 1685 CE1 TYR B 14 -12.301 0.905 3.268 1.00 0.00 C ATOM 1686 CE2 TYR B 14 -12.470 3.291 3.221 1.00 0.00 C ATOM 1687 CZ TYR B 14 -12.290 2.117 3.924 1.00 0.00 C ATOM 1688 OH TYR B 14 -12.098 2.152 5.288 1.00 0.00 O ATOM 0 H TYR B 14 -10.310 2.597 -0.809 1.00 0.00 H new ATOM 0 HA TYR B 14 -11.963 0.125 -0.831 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -12.908 3.007 -0.714 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -13.877 1.559 -0.528 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -12.500 -0.083 1.392 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -12.810 4.167 1.306 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -12.159 -0.012 3.820 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -12.458 4.240 3.737 1.00 0.00 H new ATOM 0 HH TYR B 14 -12.116 3.082 5.597 1.00 0.00 H new ATOM 1698 N PRO B 15 -13.128 0.969 -3.166 1.00 0.00 N ATOM 1699 CA PRO B 15 -13.352 1.110 -4.608 1.00 0.00 C ATOM 1700 C PRO B 15 -13.483 2.563 -5.026 1.00 0.00 C ATOM 1701 O PRO B 15 -14.577 3.138 -5.026 1.00 0.00 O ATOM 1702 CB PRO B 15 -14.660 0.381 -4.857 1.00 0.00 C ATOM 1703 CG PRO B 15 -15.368 0.408 -3.547 1.00 0.00 C ATOM 1704 CD PRO B 15 -14.303 0.392 -2.487 1.00 0.00 C ATOM 0 HA PRO B 15 -12.515 0.709 -5.180 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.246 0.874 -5.633 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.485 -0.642 -5.191 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -15.989 1.300 -3.460 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -16.029 -0.452 -3.446 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -14.594 0.982 -1.618 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -14.105 -0.620 -2.133 1.00 0.00 H new ATOM 1712 N SER B 16 -12.363 3.148 -5.399 1.00 0.00 N ATOM 1713 CA SER B 16 -12.334 4.534 -5.828 1.00 0.00 C ATOM 1714 C SER B 16 -13.347 4.782 -6.934 1.00 0.00 C ATOM 1715 O SER B 16 -14.312 5.523 -6.749 1.00 0.00 O ATOM 1716 CB SER B 16 -10.936 4.893 -6.299 1.00 0.00 C ATOM 1717 OG SER B 16 -10.516 6.123 -5.738 1.00 0.00 O ATOM 0 H SER B 16 -11.455 2.683 -5.414 1.00 0.00 H new ATOM 0 HA SER B 16 -12.601 5.167 -4.982 1.00 0.00 H new ATOM 0 HB2 SER B 16 -10.239 4.103 -6.018 1.00 0.00 H new ATOM 0 HB3 SER B 16 -10.920 4.960 -7.387 1.00 0.00 H new ATOM 0 HG SER B 16 -10.170 5.969 -4.834 1.00 0.00 H new ATOM 1723 N GLY B 17 -13.134 4.149 -8.080 1.00 0.00 N ATOM 1724 CA GLY B 17 -14.048 4.308 -9.190 1.00 0.00 C ATOM 1725 C GLY B 17 -15.288 3.451 -9.035 1.00 0.00 C ATOM 1726 O GLY B 17 -15.632 2.680 -9.930 1.00 0.00 O ATOM 0 H GLY B 17 -12.344 3.529 -8.259 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -14.340 5.355 -9.272 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -13.540 4.045 -10.118 1.00 0.00 H new ATOM 1730 N TYR B 18 -15.971 3.604 -7.906 1.00 0.00 N ATOM 1731 CA TYR B 18 -17.191 2.857 -7.645 1.00 0.00 C ATOM 1732 C TYR B 18 -18.288 3.297 -8.608 1.00 0.00 C ATOM 1733 O TYR B 18 -18.327 4.456 -9.025 1.00 0.00 O ATOM 1734 CB TYR B 18 -17.640 3.093 -6.204 1.00 0.00 C ATOM 1735 CG TYR B 18 -18.402 1.938 -5.595 1.00 0.00 C ATOM 1736 CD1 TYR B 18 -17.765 0.746 -5.299 1.00 0.00 C ATOM 1737 CD2 TYR B 18 -19.751 2.048 -5.305 1.00 0.00 C ATOM 1738 CE1 TYR B 18 -18.450 -0.309 -4.730 1.00 0.00 C ATOM 1739 CE2 TYR B 18 -20.449 1.002 -4.735 1.00 0.00 C ATOM 1740 CZ TYR B 18 -19.794 -0.173 -4.448 1.00 0.00 C ATOM 1741 OH TYR B 18 -20.484 -1.220 -3.883 1.00 0.00 O ATOM 0 H TYR B 18 -15.698 4.240 -7.157 1.00 0.00 H new ATOM 0 HA TYR B 18 -16.997 1.794 -7.792 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -16.762 3.298 -5.591 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -18.267 3.984 -6.172 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -16.713 0.639 -5.517 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -20.267 2.970 -5.529 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -17.938 -1.234 -4.507 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -21.501 1.106 -4.516 1.00 0.00 H new ATOM 0 HH TYR B 18 -21.419 -0.960 -3.748 1.00 0.00 H new ATOM 1751 N SER B 19 -19.178 2.380 -8.958 1.00 0.00 N ATOM 1752 CA SER B 19 -20.271 2.698 -9.868 1.00 0.00 C ATOM 1753 C SER B 19 -21.484 3.204 -9.094 1.00 0.00 C ATOM 1754 O SER B 19 -22.613 2.783 -9.341 1.00 0.00 O ATOM 1755 CB SER B 19 -20.647 1.473 -10.703 1.00 0.00 C ATOM 1756 OG SER B 19 -21.846 1.695 -11.425 1.00 0.00 O ATOM 0 H SER B 19 -19.166 1.415 -8.628 1.00 0.00 H new ATOM 0 HA SER B 19 -19.937 3.488 -10.541 1.00 0.00 H new ATOM 0 HB2 SER B 19 -19.839 1.240 -11.397 1.00 0.00 H new ATOM 0 HB3 SER B 19 -20.767 0.608 -10.051 1.00 0.00 H new ATOM 0 HG SER B 19 -22.588 1.818 -10.797 1.00 0.00 H new ATOM 1762 N SER B 20 -21.240 4.116 -8.154 1.00 0.00 N ATOM 1763 CA SER B 20 -22.309 4.683 -7.342 1.00 0.00 C ATOM 1764 C SER B 20 -22.616 6.112 -7.769 1.00 0.00 C ATOM 1765 O SER B 20 -21.863 7.035 -7.463 1.00 0.00 O ATOM 1766 CB SER B 20 -21.928 4.661 -5.862 1.00 0.00 C ATOM 1767 OG SER B 20 -22.383 3.474 -5.228 1.00 0.00 O ATOM 0 H SER B 20 -20.311 4.476 -7.938 1.00 0.00 H new ATOM 0 HA SER B 20 -23.200 4.073 -7.491 1.00 0.00 H new ATOM 0 HB2 SER B 20 -20.845 4.737 -5.762 1.00 0.00 H new ATOM 0 HB3 SER B 20 -22.356 5.530 -5.362 1.00 0.00 H new ATOM 0 HG SER B 20 -21.726 2.759 -5.362 1.00 0.00 H new ATOM 1773 N SER B 21 -23.727 6.286 -8.468 1.00 0.00 N ATOM 1774 CA SER B 21 -24.135 7.606 -8.928 1.00 0.00 C ATOM 1775 C SER B 21 -25.452 8.014 -8.274 1.00 0.00 C ATOM 1776 O SER B 21 -26.280 8.686 -8.888 1.00 0.00 O ATOM 1777 CB SER B 21 -24.276 7.620 -10.450 1.00 0.00 C ATOM 1778 OG SER B 21 -24.617 6.336 -10.943 1.00 0.00 O ATOM 0 H SER B 21 -24.362 5.532 -8.729 1.00 0.00 H new ATOM 0 HA SER B 21 -23.366 8.324 -8.642 1.00 0.00 H new ATOM 0 HB2 SER B 21 -25.041 8.340 -10.741 1.00 0.00 H new ATOM 0 HB3 SER B 21 -23.340 7.950 -10.902 1.00 0.00 H new ATOM 0 HG SER B 21 -24.703 6.372 -11.919 1.00 0.00 H new ATOM 1784 N TYR B 22 -25.637 7.597 -7.025 1.00 0.00 N ATOM 1785 CA TYR B 22 -26.852 7.915 -6.283 1.00 0.00 C ATOM 1786 C TYR B 22 -26.578 8.977 -5.223 1.00 0.00 C ATOM 1787 O TYR B 22 -27.544 9.629 -4.775 1.00 0.00 O ATOM 1788 CB TYR B 22 -27.417 6.652 -5.624 1.00 0.00 C ATOM 1789 CG TYR B 22 -28.575 6.029 -6.376 1.00 0.00 C ATOM 1790 CD1 TYR B 22 -29.538 6.818 -6.994 1.00 0.00 C ATOM 1791 CD2 TYR B 22 -28.704 4.648 -6.469 1.00 0.00 C ATOM 1792 CE1 TYR B 22 -30.595 6.250 -7.678 1.00 0.00 C ATOM 1793 CE2 TYR B 22 -29.758 4.073 -7.152 1.00 0.00 C ATOM 1794 CZ TYR B 22 -30.700 4.877 -7.756 1.00 0.00 C ATOM 1795 OH TYR B 22 -31.751 4.309 -8.437 1.00 0.00 O ATOM 1796 OXT TYR B 22 -25.397 9.148 -4.849 1.00 0.00 O ATOM 0 H TYR B 22 -24.960 7.038 -6.505 1.00 0.00 H new ATOM 0 HA TYR B 22 -27.586 8.309 -6.986 1.00 0.00 H new ATOM 0 HB2 TYR B 22 -26.619 5.915 -5.531 1.00 0.00 H new ATOM 0 HB3 TYR B 22 -27.743 6.897 -4.613 1.00 0.00 H new ATOM 0 HD1 TYR B 22 -29.458 7.894 -6.938 1.00 0.00 H new ATOM 0 HD2 TYR B 22 -27.967 4.014 -5.999 1.00 0.00 H new ATOM 0 HE1 TYR B 22 -31.336 6.878 -8.150 1.00 0.00 H new ATOM 0 HE2 TYR B 22 -29.843 2.998 -7.212 1.00 0.00 H new ATOM 0 HH TYR B 22 -31.677 3.333 -8.398 1.00 0.00 H new TER 1806 TYR B 22