USER MOD reduce.3.24.130724 H: found=0, std=0, add=988, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 978 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 96 ASN : amide:sc= -3.17 K(o=-3.7,f=-4.9!) USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= -0.524 USER MOD Set 2.1: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 95 HIS : no HE2:sc= -2.41! C(o=-2.4!,f=-6.9!) USER MOD Set 3.1: A 27 SER OG : rot 180:sc= -0.589! USER MOD Set 3.2: A 52 GLN : amide:sc= -0.467 X(o=-1.8,f=-2.1) USER MOD Set 3.3: A 54 ASN : amide:sc= -0.769 K(o=-1.8,f=-5.3!) USER MOD Set 4.1: A 9 HIS : no HD1:sc= -0.433! K(o=-0.94!,f=-1.7) USER MOD Set 4.2: A 13 ASN :FLIP amide:sc= -0.504! C(o=-1.5!,f=-0.94!) USER MOD Single : A 1 MET CE :methyl -132:sc=-0.00479 (180deg=-0.0682) USER MOD Single : A 1 MET N :NH3+ -127:sc= -0.0282 (180deg=-0.433) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 8 LYS NZ :NH3+ -163:sc= -0.415 (180deg=-0.956!) USER MOD Single : A 10 TYR OH : rot 11:sc= 0.438 USER MOD Single : A 12 THR OG1 : rot -105:sc= -1.77 USER MOD Single : A 16 ASN : amide:sc= -0.051 K(o=-0.051,f=-2.4!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 36:sc= 0.502 USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 108:sc= 0.887 USER MOD Single : A 48 ASN :FLIP amide:sc= -0.02 F(o=-1.7!,f=-0.02) USER MOD Single : A 49 LYS NZ :NH3+ -179:sc= 0.435 (180deg=0.435) USER MOD Single : A 53 THR OG1 : rot 25:sc= 0.493 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= -0.4 USER MOD Single : A 58 SER OG : rot 105:sc= 1.05 USER MOD Single : A 60 THR OG1 : rot -120:sc= -0.396 USER MOD Single : A 62 HIS : no HD1:sc= -0.154 K(o=-0.15,f=-0.71) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 110:sc= -0.492 USER MOD Single : A 65 ASN : amide:sc= -0.142 K(o=-0.14,f=-2.3!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -50:sc= 0.122 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.39) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.52) USER MOD Single : A 86 ASN : amide:sc= -0.0614 K(o=-0.061,f=-2.1!) USER MOD Single : A 87 HIS : no HD1:sc= -4.61! C(o=-4.6!,f=-5.5!) USER MOD Single : A 89 MET CE :methyl 138:sc= -1.65 (180deg=-4.76!) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 86:sc= 1.23 USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 115 HIS : no HD1:sc= -0.0754 K(o=-0.075,f=-0.61) USER MOD Single : A 116 HIS : no HD1:sc=-0.00605 X(o=-0.0061,f=-0.0061) USER MOD Single : A 117 HIS : no HD1:sc= -0.165 K(o=-0.17,f=-0.93) USER MOD Single : A 118 HIS :FLIP no HD1:sc= -0.289 F(o=-0.87,f=-0.29) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.141 -5.748 23.405 1.00 0.00 N ATOM 2 CA MET A 1 -12.125 -6.002 22.314 1.00 0.00 C ATOM 3 C MET A 1 -11.394 -6.482 21.060 1.00 0.00 C ATOM 4 O MET A 1 -10.279 -6.083 20.787 1.00 0.00 O ATOM 5 CB MET A 1 -12.887 -4.713 22.001 1.00 0.00 C ATOM 6 CG MET A 1 -13.780 -4.354 23.189 1.00 0.00 C ATOM 7 SD MET A 1 -14.623 -2.782 22.866 1.00 0.00 S ATOM 8 CE MET A 1 -15.960 -3.432 21.830 1.00 0.00 C ATOM 0 H1 MET A 1 -11.426 -6.270 24.258 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.198 -6.067 23.103 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.111 -4.730 23.615 1.00 0.00 H new ATOM 0 HA MET A 1 -12.828 -6.770 22.636 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.187 -3.902 21.800 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.491 -4.843 21.103 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.513 -5.143 23.357 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.181 -4.277 24.096 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.051 -2.824 20.930 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.736 -4.462 21.551 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.898 -3.402 22.385 1.00 0.00 H new ATOM 20 N THR A 2 -12.013 -7.345 20.297 1.00 0.00 N ATOM 21 CA THR A 2 -11.359 -7.867 19.060 1.00 0.00 C ATOM 22 C THR A 2 -11.848 -7.082 17.838 1.00 0.00 C ATOM 23 O THR A 2 -13.007 -7.122 17.478 1.00 0.00 O ATOM 24 CB THR A 2 -11.710 -9.347 18.898 1.00 0.00 C ATOM 25 OG1 THR A 2 -13.120 -9.511 18.969 1.00 0.00 O ATOM 26 CG2 THR A 2 -11.044 -10.147 20.018 1.00 0.00 C ATOM 0 H THR A 2 -12.947 -7.712 20.478 1.00 0.00 H new ATOM 0 HA THR A 2 -10.278 -7.751 19.142 1.00 0.00 H new ATOM 0 HB THR A 2 -11.354 -9.705 17.932 1.00 0.00 H new ATOM 0 HG1 THR A 2 -13.345 -10.459 18.863 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.291 -11.203 19.907 1.00 0.00 H new ATOM 0 HG22 THR A 2 -9.963 -10.019 19.963 1.00 0.00 H new ATOM 0 HG23 THR A 2 -11.403 -9.790 20.983 1.00 0.00 H new ATOM 34 N LEU A 3 -10.960 -6.367 17.205 1.00 0.00 N ATOM 35 CA LEU A 3 -11.335 -5.569 16.002 1.00 0.00 C ATOM 36 C LEU A 3 -11.766 -6.516 14.878 1.00 0.00 C ATOM 37 O LEU A 3 -12.684 -6.240 14.131 1.00 0.00 O ATOM 38 CB LEU A 3 -10.118 -4.762 15.552 1.00 0.00 C ATOM 39 CG LEU A 3 -9.770 -3.706 16.613 1.00 0.00 C ATOM 40 CD1 LEU A 3 -8.431 -3.055 16.253 1.00 0.00 C ATOM 41 CD2 LEU A 3 -10.871 -2.626 16.689 1.00 0.00 C ATOM 0 H LEU A 3 -9.978 -6.300 17.473 1.00 0.00 H new ATOM 0 HA LEU A 3 -12.159 -4.897 16.240 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.268 -5.426 15.395 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.325 -4.277 14.598 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.697 -4.192 17.586 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.178 -2.305 17.002 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.652 -3.817 16.225 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.509 -2.580 15.275 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.605 -1.888 17.446 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.966 -2.134 15.721 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.820 -3.092 16.954 1.00 0.00 H new ATOM 53 N GLU A 4 -11.095 -7.625 14.739 1.00 0.00 N ATOM 54 CA GLU A 4 -11.448 -8.585 13.656 1.00 0.00 C ATOM 55 C GLU A 4 -12.932 -8.951 13.752 1.00 0.00 C ATOM 56 O GLU A 4 -13.666 -8.877 12.786 1.00 0.00 O ATOM 57 CB GLU A 4 -10.608 -9.851 13.826 1.00 0.00 C ATOM 58 CG GLU A 4 -9.136 -9.535 13.549 1.00 0.00 C ATOM 59 CD GLU A 4 -8.289 -10.789 13.789 1.00 0.00 C ATOM 60 OE1 GLU A 4 -8.861 -11.813 14.124 1.00 0.00 O ATOM 61 OE2 GLU A 4 -7.082 -10.703 13.633 1.00 0.00 O ATOM 0 H GLU A 4 -10.314 -7.909 15.331 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.251 -8.130 12.685 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.722 -10.241 14.837 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.958 -10.626 13.144 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.014 -9.192 12.522 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.799 -8.726 14.197 1.00 0.00 H new ATOM 68 N LEU A 5 -13.379 -9.346 14.909 1.00 0.00 N ATOM 69 CA LEU A 5 -14.816 -9.716 15.064 1.00 0.00 C ATOM 70 C LEU A 5 -15.685 -8.481 14.831 1.00 0.00 C ATOM 71 O LEU A 5 -16.728 -8.543 14.209 1.00 0.00 O ATOM 72 CB LEU A 5 -15.055 -10.251 16.479 1.00 0.00 C ATOM 73 CG LEU A 5 -16.539 -10.608 16.671 1.00 0.00 C ATOM 74 CD1 LEU A 5 -16.983 -11.646 15.626 1.00 0.00 C ATOM 75 CD2 LEU A 5 -16.743 -11.176 18.081 1.00 0.00 C ATOM 0 H LEU A 5 -12.815 -9.429 15.754 1.00 0.00 H new ATOM 0 HA LEU A 5 -15.076 -10.486 14.337 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -14.437 -11.132 16.651 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.756 -9.503 17.213 1.00 0.00 H new ATOM 0 HG LEU A 5 -17.140 -9.708 16.543 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -18.035 -11.887 15.777 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -16.844 -11.237 14.625 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -16.385 -12.551 15.735 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -17.793 -11.431 18.222 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -16.133 -12.071 18.205 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -16.448 -10.431 18.820 1.00 0.00 H new ATOM 87 N GLN A 6 -15.268 -7.364 15.348 1.00 0.00 N ATOM 88 CA GLN A 6 -16.060 -6.114 15.189 1.00 0.00 C ATOM 89 C GLN A 6 -16.132 -5.735 13.711 1.00 0.00 C ATOM 90 O GLN A 6 -17.131 -5.233 13.237 1.00 0.00 O ATOM 91 CB GLN A 6 -15.370 -4.999 15.975 1.00 0.00 C ATOM 92 CG GLN A 6 -16.140 -3.689 15.807 1.00 0.00 C ATOM 93 CD GLN A 6 -15.556 -2.626 16.741 1.00 0.00 C ATOM 94 OE1 GLN A 6 -14.834 -2.939 17.666 1.00 0.00 O ATOM 95 NE2 GLN A 6 -15.842 -1.369 16.536 1.00 0.00 N ATOM 0 H GLN A 6 -14.404 -7.261 15.880 1.00 0.00 H new ATOM 0 HA GLN A 6 -17.073 -6.263 15.564 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.316 -5.266 17.030 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.345 -4.876 15.625 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.081 -3.351 14.773 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -17.195 -3.844 16.031 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -16.448 -1.104 15.760 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -15.459 -0.652 17.152 1.00 0.00 H new ATOM 104 N LEU A 7 -15.078 -5.956 12.981 1.00 0.00 N ATOM 105 CA LEU A 7 -15.087 -5.594 11.536 1.00 0.00 C ATOM 106 C LEU A 7 -16.147 -6.420 10.806 1.00 0.00 C ATOM 107 O LEU A 7 -16.888 -5.910 9.993 1.00 0.00 O ATOM 108 CB LEU A 7 -13.712 -5.892 10.933 1.00 0.00 C ATOM 109 CG LEU A 7 -13.676 -5.468 9.454 1.00 0.00 C ATOM 110 CD1 LEU A 7 -13.856 -3.944 9.334 1.00 0.00 C ATOM 111 CD2 LEU A 7 -12.333 -5.891 8.836 1.00 0.00 C ATOM 0 H LEU A 7 -14.210 -6.371 13.320 1.00 0.00 H new ATOM 0 HA LEU A 7 -15.316 -4.534 11.429 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -12.940 -5.361 11.490 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.492 -6.956 11.019 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.491 -5.956 8.919 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -13.829 -3.656 8.283 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -14.815 -3.656 9.764 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -13.052 -3.439 9.869 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.304 -5.592 7.788 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.517 -5.408 9.374 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.224 -6.973 8.908 1.00 0.00 H new ATOM 123 N LYS A 8 -16.212 -7.691 11.082 1.00 0.00 N ATOM 124 CA LYS A 8 -17.215 -8.555 10.398 1.00 0.00 C ATOM 125 C LYS A 8 -18.618 -8.094 10.776 1.00 0.00 C ATOM 126 O LYS A 8 -19.527 -8.098 9.972 1.00 0.00 O ATOM 127 CB LYS A 8 -17.021 -10.002 10.833 1.00 0.00 C ATOM 128 CG LYS A 8 -15.689 -10.523 10.283 1.00 0.00 C ATOM 129 CD LYS A 8 -15.540 -12.023 10.588 1.00 0.00 C ATOM 130 CE LYS A 8 -15.126 -12.236 12.048 1.00 0.00 C ATOM 131 NZ LYS A 8 -13.888 -11.457 12.333 1.00 0.00 N ATOM 0 H LYS A 8 -15.613 -8.171 11.753 1.00 0.00 H new ATOM 0 HA LYS A 8 -17.085 -8.481 9.318 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.030 -10.071 11.921 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.844 -10.617 10.468 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.641 -10.357 9.207 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.862 -9.970 10.728 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.482 -12.535 10.393 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.795 -12.463 9.925 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -15.929 -11.920 12.714 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.953 -13.295 12.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.447 -11.812 13.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.222 -11.562 11.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.130 -10.452 12.452 1.00 0.00 H new ATOM 145 N HIS A 9 -18.803 -7.716 12.004 1.00 0.00 N ATOM 146 CA HIS A 9 -20.144 -7.254 12.447 1.00 0.00 C ATOM 147 C HIS A 9 -20.418 -5.865 11.862 1.00 0.00 C ATOM 148 O HIS A 9 -21.499 -5.576 11.388 1.00 0.00 O ATOM 149 CB HIS A 9 -20.170 -7.182 13.970 1.00 0.00 C ATOM 150 CG HIS A 9 -21.541 -6.766 14.424 1.00 0.00 C ATOM 151 ND1 HIS A 9 -21.749 -5.650 15.218 1.00 0.00 N ATOM 152 CD2 HIS A 9 -22.784 -7.305 14.201 1.00 0.00 C ATOM 153 CE1 HIS A 9 -23.073 -5.553 15.442 1.00 0.00 C ATOM 154 NE2 HIS A 9 -23.750 -6.536 14.844 1.00 0.00 N ATOM 0 H HIS A 9 -18.081 -7.706 12.725 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.909 -7.950 12.102 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.912 -8.152 14.396 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.425 -6.470 14.325 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -22.982 -8.191 13.616 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.532 -4.775 16.034 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -24.758 -6.690 14.856 1.00 0.00 H new ATOM 162 N TYR A 10 -19.444 -4.995 11.918 1.00 0.00 N ATOM 163 CA TYR A 10 -19.630 -3.611 11.386 1.00 0.00 C ATOM 164 C TYR A 10 -19.842 -3.646 9.869 1.00 0.00 C ATOM 165 O TYR A 10 -20.749 -3.032 9.344 1.00 0.00 O ATOM 166 CB TYR A 10 -18.381 -2.787 11.693 1.00 0.00 C ATOM 167 CG TYR A 10 -18.540 -1.407 11.101 1.00 0.00 C ATOM 168 CD1 TYR A 10 -19.146 -0.394 11.852 1.00 0.00 C ATOM 169 CD2 TYR A 10 -18.088 -1.141 9.802 1.00 0.00 C ATOM 170 CE1 TYR A 10 -19.301 0.885 11.306 1.00 0.00 C ATOM 171 CE2 TYR A 10 -18.243 0.140 9.255 1.00 0.00 C ATOM 172 CZ TYR A 10 -18.850 1.153 10.008 1.00 0.00 C ATOM 173 OH TYR A 10 -19.006 2.413 9.469 1.00 0.00 O ATOM 0 H TYR A 10 -18.522 -5.184 12.311 1.00 0.00 H new ATOM 0 HA TYR A 10 -20.506 -3.165 11.858 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -18.231 -2.719 12.771 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -17.498 -3.274 11.279 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -19.494 -0.599 12.853 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -17.620 -1.923 9.222 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -19.769 1.666 11.887 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -17.895 0.346 8.254 1.00 0.00 H new ATOM 0 HH TYR A 10 -19.276 3.039 10.173 1.00 0.00 H new ATOM 183 N ILE A 11 -18.999 -4.343 9.157 1.00 0.00 N ATOM 184 CA ILE A 11 -19.139 -4.397 7.674 1.00 0.00 C ATOM 185 C ILE A 11 -20.462 -5.081 7.311 1.00 0.00 C ATOM 186 O ILE A 11 -21.148 -4.692 6.388 1.00 0.00 O ATOM 187 CB ILE A 11 -17.966 -5.195 7.091 1.00 0.00 C ATOM 188 CG1 ILE A 11 -17.938 -5.031 5.570 1.00 0.00 C ATOM 189 CG2 ILE A 11 -18.134 -6.678 7.434 1.00 0.00 C ATOM 190 CD1 ILE A 11 -16.631 -5.602 5.021 1.00 0.00 C ATOM 0 H ILE A 11 -18.219 -4.878 9.539 1.00 0.00 H new ATOM 0 HA ILE A 11 -19.134 -3.387 7.264 1.00 0.00 H new ATOM 0 HB ILE A 11 -17.033 -4.824 7.516 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -18.789 -5.545 5.122 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -18.027 -3.977 5.305 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -17.300 -7.244 7.019 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -18.153 -6.801 8.517 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -19.069 -7.046 7.010 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -16.610 -5.486 3.937 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -15.788 -5.068 5.460 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -16.562 -6.660 5.274 1.00 0.00 H new ATOM 202 N THR A 12 -20.816 -6.109 8.029 1.00 0.00 N ATOM 203 CA THR A 12 -22.083 -6.836 7.731 1.00 0.00 C ATOM 204 C THR A 12 -23.279 -5.895 7.913 1.00 0.00 C ATOM 205 O THR A 12 -24.187 -5.857 7.106 1.00 0.00 O ATOM 206 CB THR A 12 -22.208 -8.013 8.702 1.00 0.00 C ATOM 207 OG1 THR A 12 -21.825 -7.577 9.996 1.00 0.00 O ATOM 208 CG2 THR A 12 -21.305 -9.172 8.260 1.00 0.00 C ATOM 0 H THR A 12 -20.280 -6.480 8.814 1.00 0.00 H new ATOM 0 HA THR A 12 -22.070 -7.195 6.702 1.00 0.00 H new ATOM 0 HB THR A 12 -23.240 -8.365 8.713 1.00 0.00 H new ATOM 0 HG1 THR A 12 -20.938 -7.934 10.212 1.00 0.00 H new ATOM 0 HG21 THR A 12 -21.406 -10.000 8.961 1.00 0.00 H new ATOM 0 HG22 THR A 12 -21.599 -9.502 7.264 1.00 0.00 H new ATOM 0 HG23 THR A 12 -20.268 -8.838 8.240 1.00 0.00 H new ATOM 216 N ASN A 13 -23.290 -5.138 8.969 1.00 0.00 N ATOM 217 CA ASN A 13 -24.422 -4.205 9.209 1.00 0.00 C ATOM 218 C ASN A 13 -24.440 -3.137 8.116 1.00 0.00 C ATOM 219 O ASN A 13 -25.481 -2.667 7.705 1.00 0.00 O ATOM 220 CB ASN A 13 -24.243 -3.537 10.572 1.00 0.00 C ATOM 221 CG ASN A 13 -24.480 -4.556 11.693 1.00 0.00 C ATOM 222 OD1 ASN A 13 -25.186 -5.630 11.461 1.00 0.00 O flip ATOM 223 ND2 ASN A 13 -24.014 -4.369 12.799 1.00 0.00 N flip ATOM 0 H ASN A 13 -22.560 -5.124 9.681 1.00 0.00 H new ATOM 0 HA ASN A 13 -25.362 -4.756 9.193 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -23.238 -3.122 10.653 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -24.940 -2.705 10.673 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -23.462 -3.532 12.985 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -24.175 -5.049 13.542 1.00 0.00 H new ATOM 230 N LEU A 14 -23.290 -2.728 7.666 1.00 0.00 N ATOM 231 CA LEU A 14 -23.234 -1.665 6.625 1.00 0.00 C ATOM 232 C LEU A 14 -23.936 -2.152 5.348 1.00 0.00 C ATOM 233 O LEU A 14 -24.693 -1.429 4.733 1.00 0.00 O ATOM 234 CB LEU A 14 -21.758 -1.352 6.330 1.00 0.00 C ATOM 235 CG LEU A 14 -21.586 0.113 5.887 1.00 0.00 C ATOM 236 CD1 LEU A 14 -22.537 0.427 4.723 1.00 0.00 C ATOM 237 CD2 LEU A 14 -21.868 1.068 7.073 1.00 0.00 C ATOM 0 H LEU A 14 -22.385 -3.083 7.973 1.00 0.00 H new ATOM 0 HA LEU A 14 -23.740 -0.766 6.977 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -21.157 -1.540 7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -21.390 -2.018 5.550 1.00 0.00 H new ATOM 0 HG LEU A 14 -20.558 0.259 5.554 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -22.408 1.465 4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -22.312 -0.230 3.882 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -23.567 0.268 5.042 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -21.743 2.100 6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -22.889 0.920 7.425 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -21.171 0.857 7.884 1.00 0.00 H new ATOM 249 N PHE A 15 -23.682 -3.370 4.945 1.00 0.00 N ATOM 250 CA PHE A 15 -24.323 -3.912 3.709 1.00 0.00 C ATOM 251 C PHE A 15 -25.514 -4.787 4.111 1.00 0.00 C ATOM 252 O PHE A 15 -26.143 -5.417 3.283 1.00 0.00 O ATOM 253 CB PHE A 15 -23.292 -4.742 2.937 1.00 0.00 C ATOM 254 CG PHE A 15 -22.197 -3.834 2.409 1.00 0.00 C ATOM 255 CD1 PHE A 15 -22.385 -3.132 1.211 1.00 0.00 C ATOM 256 CD2 PHE A 15 -20.993 -3.698 3.115 1.00 0.00 C ATOM 257 CE1 PHE A 15 -21.374 -2.296 0.720 1.00 0.00 C ATOM 258 CE2 PHE A 15 -19.981 -2.861 2.622 1.00 0.00 C ATOM 259 CZ PHE A 15 -20.172 -2.162 1.425 1.00 0.00 C ATOM 0 H PHE A 15 -23.054 -4.017 5.422 1.00 0.00 H new ATOM 0 HA PHE A 15 -24.674 -3.099 3.074 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -22.863 -5.504 3.588 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -23.775 -5.263 2.111 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -23.311 -3.236 0.665 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -20.845 -4.238 4.039 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -21.522 -1.755 -0.203 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -19.054 -2.756 3.166 1.00 0.00 H new ATOM 0 HZ PHE A 15 -19.392 -1.519 1.045 1.00 0.00 H new ATOM 269 N ASN A 16 -25.820 -4.825 5.383 1.00 0.00 N ATOM 270 CA ASN A 16 -26.965 -5.649 5.878 1.00 0.00 C ATOM 271 C ASN A 16 -26.771 -7.115 5.479 1.00 0.00 C ATOM 272 O ASN A 16 -27.719 -7.823 5.203 1.00 0.00 O ATOM 273 CB ASN A 16 -28.290 -5.121 5.303 1.00 0.00 C ATOM 274 CG ASN A 16 -28.645 -3.804 5.995 1.00 0.00 C ATOM 275 OD1 ASN A 16 -28.105 -3.491 7.035 1.00 0.00 O ATOM 276 ND2 ASN A 16 -29.541 -3.015 5.464 1.00 0.00 N ATOM 0 H ASN A 16 -25.319 -4.313 6.109 1.00 0.00 H new ATOM 0 HA ASN A 16 -27.000 -5.578 6.965 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -28.199 -4.968 4.228 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -29.084 -5.852 5.455 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -29.785 -2.138 5.924 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -29.996 -3.276 4.589 1.00 0.00 H new ATOM 283 N LEU A 17 -25.549 -7.586 5.453 1.00 0.00 N ATOM 284 CA LEU A 17 -25.301 -9.013 5.074 1.00 0.00 C ATOM 285 C LEU A 17 -25.238 -9.887 6.340 1.00 0.00 C ATOM 286 O LEU A 17 -24.793 -9.442 7.377 1.00 0.00 O ATOM 287 CB LEU A 17 -23.967 -9.113 4.335 1.00 0.00 C ATOM 288 CG LEU A 17 -23.999 -8.224 3.086 1.00 0.00 C ATOM 289 CD1 LEU A 17 -22.574 -8.033 2.565 1.00 0.00 C ATOM 290 CD2 LEU A 17 -24.857 -8.872 1.987 1.00 0.00 C ATOM 0 H LEU A 17 -24.713 -7.046 5.677 1.00 0.00 H new ATOM 0 HA LEU A 17 -26.111 -9.360 4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.153 -8.805 4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -23.774 -10.148 4.052 1.00 0.00 H new ATOM 0 HG LEU A 17 -24.433 -7.260 3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -22.593 -7.401 1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -21.966 -7.558 3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -22.146 -9.003 2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -24.869 -8.228 1.108 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -24.436 -9.842 1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -25.875 -9.006 2.352 1.00 0.00 H new ATOM 302 N PRO A 18 -25.673 -11.126 6.258 1.00 0.00 N ATOM 303 CA PRO A 18 -25.648 -12.064 7.425 1.00 0.00 C ATOM 304 C PRO A 18 -24.216 -12.427 7.867 1.00 0.00 C ATOM 305 O PRO A 18 -23.335 -12.641 7.057 1.00 0.00 O ATOM 306 CB PRO A 18 -26.404 -13.309 6.913 1.00 0.00 C ATOM 307 CG PRO A 18 -26.297 -13.251 5.422 1.00 0.00 C ATOM 308 CD PRO A 18 -26.233 -11.769 5.057 1.00 0.00 C ATOM 0 HA PRO A 18 -26.101 -11.618 8.310 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -25.962 -14.226 7.304 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -27.446 -13.296 7.233 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -25.407 -13.776 5.075 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -27.155 -13.731 4.951 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -25.602 -11.601 4.184 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -27.221 -11.375 4.818 1.00 0.00 H new ATOM 316 N ARG A 19 -23.995 -12.513 9.155 1.00 0.00 N ATOM 317 CA ARG A 19 -22.645 -12.879 9.679 1.00 0.00 C ATOM 318 C ARG A 19 -22.598 -14.388 9.936 1.00 0.00 C ATOM 319 O ARG A 19 -21.590 -14.931 10.343 1.00 0.00 O ATOM 320 CB ARG A 19 -22.382 -12.113 10.981 1.00 0.00 C ATOM 321 CG ARG A 19 -23.492 -12.413 11.991 1.00 0.00 C ATOM 322 CD ARG A 19 -23.220 -11.653 13.294 1.00 0.00 C ATOM 323 NE ARG A 19 -22.002 -12.219 13.946 1.00 0.00 N ATOM 324 CZ ARG A 19 -21.510 -11.671 15.027 1.00 0.00 C ATOM 325 NH1 ARG A 19 -22.067 -10.611 15.544 1.00 0.00 N ATOM 326 NH2 ARG A 19 -20.452 -12.189 15.589 1.00 0.00 N ATOM 0 H ARG A 19 -24.700 -12.343 9.872 1.00 0.00 H new ATOM 0 HA ARG A 19 -21.878 -12.616 8.951 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -21.415 -12.400 11.394 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -22.339 -11.042 10.782 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -24.459 -12.120 11.582 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -23.540 -13.484 12.186 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -23.077 -10.592 13.088 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -24.077 -11.735 13.963 1.00 0.00 H new ATOM 0 HE ARG A 19 -21.549 -13.040 13.545 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -22.893 -10.203 15.105 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -21.677 -10.190 16.387 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -20.013 -13.017 15.185 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -20.064 -11.766 16.432 1.00 0.00 H new ATOM 340 N ASP A 20 -23.688 -15.070 9.702 1.00 0.00 N ATOM 341 CA ASP A 20 -23.713 -16.543 9.928 1.00 0.00 C ATOM 342 C ASP A 20 -23.097 -17.244 8.715 1.00 0.00 C ATOM 343 O ASP A 20 -22.999 -18.456 8.666 1.00 0.00 O ATOM 344 CB ASP A 20 -25.162 -17.002 10.108 1.00 0.00 C ATOM 345 CG ASP A 20 -25.708 -16.471 11.436 1.00 0.00 C ATOM 346 OD1 ASP A 20 -24.909 -16.056 12.260 1.00 0.00 O ATOM 347 OD2 ASP A 20 -26.917 -16.485 11.605 1.00 0.00 O ATOM 0 H ASP A 20 -24.563 -14.669 9.364 1.00 0.00 H new ATOM 0 HA ASP A 20 -23.142 -16.792 10.823 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -25.774 -16.641 9.281 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.214 -18.091 10.091 1.00 0.00 H new ATOM 352 N GLU A 21 -22.687 -16.490 7.730 1.00 0.00 N ATOM 353 CA GLU A 21 -22.086 -17.110 6.514 1.00 0.00 C ATOM 354 C GLU A 21 -20.615 -17.442 6.771 1.00 0.00 C ATOM 355 O GLU A 21 -19.890 -16.682 7.381 1.00 0.00 O ATOM 356 CB GLU A 21 -22.196 -16.133 5.342 1.00 0.00 C ATOM 357 CG GLU A 21 -23.670 -15.912 4.996 1.00 0.00 C ATOM 358 CD GLU A 21 -24.285 -17.218 4.487 1.00 0.00 C ATOM 359 OE1 GLU A 21 -23.530 -18.086 4.080 1.00 0.00 O ATOM 360 OE2 GLU A 21 -25.500 -17.330 4.518 1.00 0.00 O ATOM 0 H GLU A 21 -22.742 -15.472 7.715 1.00 0.00 H new ATOM 0 HA GLU A 21 -22.620 -18.030 6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -21.726 -15.184 5.601 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -21.664 -16.526 4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -24.211 -15.563 5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -23.762 -15.136 4.236 1.00 0.00 H new ATOM 367 N LYS A 22 -20.173 -18.580 6.313 1.00 0.00 N ATOM 368 CA LYS A 22 -18.756 -18.979 6.533 1.00 0.00 C ATOM 369 C LYS A 22 -17.825 -18.149 5.646 1.00 0.00 C ATOM 370 O LYS A 22 -18.057 -17.978 4.465 1.00 0.00 O ATOM 371 CB LYS A 22 -18.599 -20.457 6.196 1.00 0.00 C ATOM 372 CG LYS A 22 -17.190 -20.916 6.570 1.00 0.00 C ATOM 373 CD LYS A 22 -17.073 -22.434 6.387 1.00 0.00 C ATOM 374 CE LYS A 22 -16.983 -22.786 4.897 1.00 0.00 C ATOM 375 NZ LYS A 22 -16.534 -24.202 4.753 1.00 0.00 N ATOM 0 H LYS A 22 -20.736 -19.254 5.793 1.00 0.00 H new ATOM 0 HA LYS A 22 -18.491 -18.804 7.576 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -19.340 -21.045 6.737 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -18.776 -20.620 5.133 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.454 -20.408 5.947 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.972 -20.647 7.604 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -16.190 -22.803 6.909 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.936 -22.928 6.833 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -17.953 -22.649 4.420 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -16.284 -22.117 4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -16.471 -24.445 3.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.600 -24.317 5.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -17.217 -24.832 5.219 1.00 0.00 H new ATOM 389 N TRP A 23 -16.767 -17.632 6.216 1.00 0.00 N ATOM 390 CA TRP A 23 -15.798 -16.805 5.434 1.00 0.00 C ATOM 391 C TRP A 23 -14.553 -17.641 5.133 1.00 0.00 C ATOM 392 O TRP A 23 -14.180 -18.508 5.898 1.00 0.00 O ATOM 393 CB TRP A 23 -15.403 -15.579 6.275 1.00 0.00 C ATOM 394 CG TRP A 23 -16.384 -14.474 6.059 1.00 0.00 C ATOM 395 CD1 TRP A 23 -17.678 -14.638 5.700 1.00 0.00 C ATOM 396 CD2 TRP A 23 -16.168 -13.041 6.174 1.00 0.00 C ATOM 397 NE1 TRP A 23 -18.270 -13.395 5.591 1.00 0.00 N ATOM 398 CE2 TRP A 23 -17.380 -12.377 5.873 1.00 0.00 C ATOM 399 CE3 TRP A 23 -15.048 -12.263 6.509 1.00 0.00 C ATOM 400 CZ2 TRP A 23 -17.476 -10.988 5.902 1.00 0.00 C ATOM 401 CZ3 TRP A 23 -15.141 -10.863 6.540 1.00 0.00 C ATOM 402 CH2 TRP A 23 -16.352 -10.227 6.236 1.00 0.00 C ATOM 0 H TRP A 23 -16.530 -17.749 7.201 1.00 0.00 H new ATOM 0 HA TRP A 23 -16.251 -16.480 4.497 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -15.371 -15.847 7.331 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -14.402 -15.247 6.000 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -18.167 -15.585 5.527 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -19.246 -13.247 5.334 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -14.110 -12.744 6.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -18.412 -10.502 5.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -14.275 -10.273 6.800 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -16.417 -9.149 6.260 1.00 0.00 H new ATOM 413 N GLU A 24 -13.904 -17.381 4.024 1.00 0.00 N ATOM 414 CA GLU A 24 -12.677 -18.153 3.666 1.00 0.00 C ATOM 415 C GLU A 24 -11.460 -17.246 3.828 1.00 0.00 C ATOM 416 O GLU A 24 -11.337 -16.227 3.182 1.00 0.00 O ATOM 417 CB GLU A 24 -12.782 -18.611 2.214 1.00 0.00 C ATOM 418 CG GLU A 24 -11.638 -19.573 1.896 1.00 0.00 C ATOM 419 CD GLU A 24 -11.862 -20.890 2.642 1.00 0.00 C ATOM 420 OE1 GLU A 24 -12.925 -21.047 3.221 1.00 0.00 O ATOM 421 OE2 GLU A 24 -10.966 -21.718 2.626 1.00 0.00 O ATOM 0 H GLU A 24 -14.174 -16.664 3.350 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.577 -19.023 4.315 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.741 -19.102 2.045 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.743 -17.750 1.547 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.588 -19.754 0.822 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.685 -19.133 2.190 1.00 0.00 H new ATOM 428 N CYS A 25 -10.570 -17.608 4.705 1.00 0.00 N ATOM 429 CA CYS A 25 -9.364 -16.771 4.944 1.00 0.00 C ATOM 430 C CYS A 25 -8.325 -17.011 3.850 1.00 0.00 C ATOM 431 O CYS A 25 -7.883 -18.123 3.633 1.00 0.00 O ATOM 432 CB CYS A 25 -8.765 -17.143 6.302 1.00 0.00 C ATOM 433 SG CYS A 25 -8.481 -18.930 6.363 1.00 0.00 S ATOM 0 H CYS A 25 -10.626 -18.454 5.271 1.00 0.00 H new ATOM 0 HA CYS A 25 -9.649 -15.719 4.932 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.828 -16.609 6.457 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -9.439 -16.843 7.104 1.00 0.00 H new ATOM 0 HG CYS A 25 -8.119 -19.352 5.188 1.00 0.00 H new ATOM 439 N GLU A 26 -7.919 -15.967 3.172 1.00 0.00 N ATOM 440 CA GLU A 26 -6.888 -16.102 2.099 1.00 0.00 C ATOM 441 C GLU A 26 -5.791 -15.069 2.361 1.00 0.00 C ATOM 442 O GLU A 26 -5.998 -13.879 2.223 1.00 0.00 O ATOM 443 CB GLU A 26 -7.533 -15.847 0.737 1.00 0.00 C ATOM 444 CG GLU A 26 -6.490 -16.069 -0.355 1.00 0.00 C ATOM 445 CD GLU A 26 -7.139 -15.901 -1.729 1.00 0.00 C ATOM 446 OE1 GLU A 26 -8.356 -15.909 -1.793 1.00 0.00 O ATOM 447 OE2 GLU A 26 -6.405 -15.766 -2.694 1.00 0.00 O ATOM 0 H GLU A 26 -8.262 -15.017 3.318 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.463 -17.106 2.101 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.380 -16.517 0.590 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.919 -14.829 0.688 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.671 -15.359 -0.239 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.061 -17.067 -0.264 1.00 0.00 H new ATOM 454 N SER A 27 -4.629 -15.516 2.763 1.00 0.00 N ATOM 455 CA SER A 27 -3.516 -14.566 3.069 1.00 0.00 C ATOM 456 C SER A 27 -2.562 -14.461 1.879 1.00 0.00 C ATOM 457 O SER A 27 -2.059 -15.449 1.384 1.00 0.00 O ATOM 458 CB SER A 27 -2.750 -15.076 4.288 1.00 0.00 C ATOM 459 OG SER A 27 -1.618 -14.246 4.514 1.00 0.00 O ATOM 0 H SER A 27 -4.402 -16.502 2.893 1.00 0.00 H new ATOM 0 HA SER A 27 -3.933 -13.580 3.272 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.397 -15.074 5.165 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.433 -16.107 4.128 1.00 0.00 H new ATOM 0 HG SER A 27 -1.125 -14.571 5.296 1.00 0.00 H new ATOM 465 N ILE A 28 -2.297 -13.259 1.432 1.00 0.00 N ATOM 466 CA ILE A 28 -1.355 -13.058 0.287 1.00 0.00 C ATOM 467 C ILE A 28 -0.447 -11.872 0.595 1.00 0.00 C ATOM 468 O ILE A 28 -0.827 -10.957 1.298 1.00 0.00 O ATOM 469 CB ILE A 28 -2.148 -12.797 -0.997 1.00 0.00 C ATOM 470 CG1 ILE A 28 -3.094 -11.608 -0.800 1.00 0.00 C ATOM 471 CG2 ILE A 28 -2.955 -14.041 -1.353 1.00 0.00 C ATOM 472 CD1 ILE A 28 -3.780 -11.282 -2.129 1.00 0.00 C ATOM 0 H ILE A 28 -2.696 -12.401 1.814 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.748 -13.952 0.145 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.455 -12.565 -1.806 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.840 -11.844 -0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.538 -10.741 -0.442 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.521 -13.859 -2.267 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.279 -14.882 -1.507 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.643 -14.273 -0.540 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.454 -10.436 -1.993 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.027 -11.029 -2.875 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.349 -12.148 -2.467 1.00 0.00 H new ATOM 484 N GLU A 29 0.758 -11.878 0.088 1.00 0.00 N ATOM 485 CA GLU A 29 1.692 -10.750 0.372 1.00 0.00 C ATOM 486 C GLU A 29 1.655 -9.747 -0.782 1.00 0.00 C ATOM 487 O GLU A 29 1.853 -10.096 -1.929 1.00 0.00 O ATOM 488 CB GLU A 29 3.110 -11.299 0.529 1.00 0.00 C ATOM 489 CG GLU A 29 4.032 -10.184 1.020 1.00 0.00 C ATOM 490 CD GLU A 29 5.417 -10.762 1.324 1.00 0.00 C ATOM 491 OE1 GLU A 29 5.702 -11.848 0.850 1.00 0.00 O ATOM 492 OE2 GLU A 29 6.162 -10.113 2.041 1.00 0.00 O ATOM 0 H GLU A 29 1.135 -12.614 -0.509 1.00 0.00 H new ATOM 0 HA GLU A 29 1.389 -10.249 1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.115 -12.128 1.236 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.468 -11.690 -0.423 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.110 -9.403 0.264 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.615 -9.721 1.914 1.00 0.00 H new ATOM 499 N GLU A 30 1.404 -8.496 -0.486 1.00 0.00 N ATOM 500 CA GLU A 30 1.356 -7.461 -1.563 1.00 0.00 C ATOM 501 C GLU A 30 1.964 -6.157 -1.042 1.00 0.00 C ATOM 502 O GLU A 30 1.992 -5.903 0.146 1.00 0.00 O ATOM 503 CB GLU A 30 -0.098 -7.223 -1.981 1.00 0.00 C ATOM 504 CG GLU A 30 -0.141 -6.197 -3.116 1.00 0.00 C ATOM 505 CD GLU A 30 -1.577 -6.038 -3.614 1.00 0.00 C ATOM 506 OE1 GLU A 30 -2.398 -6.875 -3.279 1.00 0.00 O ATOM 507 OE2 GLU A 30 -1.832 -5.079 -4.325 1.00 0.00 O ATOM 0 H GLU A 30 1.230 -8.147 0.456 1.00 0.00 H new ATOM 0 HA GLU A 30 1.925 -7.806 -2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.552 -8.159 -2.305 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.678 -6.865 -1.131 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.241 -5.238 -2.766 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.504 -6.518 -3.934 1.00 0.00 H new ATOM 514 N VAL A 31 2.458 -5.334 -1.924 1.00 0.00 N ATOM 515 CA VAL A 31 3.077 -4.051 -1.498 1.00 0.00 C ATOM 516 C VAL A 31 2.004 -3.065 -1.024 1.00 0.00 C ATOM 517 O VAL A 31 0.955 -2.929 -1.622 1.00 0.00 O ATOM 518 CB VAL A 31 3.855 -3.452 -2.670 1.00 0.00 C ATOM 519 CG1 VAL A 31 4.661 -2.242 -2.188 1.00 0.00 C ATOM 520 CG2 VAL A 31 4.815 -4.507 -3.225 1.00 0.00 C ATOM 0 H VAL A 31 2.459 -5.498 -2.931 1.00 0.00 H new ATOM 0 HA VAL A 31 3.756 -4.243 -0.667 1.00 0.00 H new ATOM 0 HB VAL A 31 3.158 -3.137 -3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.215 -1.817 -3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.983 -1.491 -1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.360 -2.556 -1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.373 -4.087 -4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.509 -4.814 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.247 -5.372 -3.566 1.00 0.00 H new ATOM 530 N ALA A 32 2.266 -2.382 0.057 1.00 0.00 N ATOM 531 CA ALA A 32 1.280 -1.401 0.599 1.00 0.00 C ATOM 532 C ALA A 32 1.021 -0.289 -0.428 1.00 0.00 C ATOM 533 O ALA A 32 -0.078 0.208 -0.547 1.00 0.00 O ATOM 534 CB ALA A 32 1.852 -0.787 1.879 1.00 0.00 C ATOM 0 H ALA A 32 3.130 -2.462 0.594 1.00 0.00 H new ATOM 0 HA ALA A 32 0.340 -1.910 0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.142 -0.068 2.286 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.032 -1.574 2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.791 -0.281 1.652 1.00 0.00 H new ATOM 540 N ASP A 33 2.022 0.122 -1.156 1.00 0.00 N ATOM 541 CA ASP A 33 1.811 1.220 -2.146 1.00 0.00 C ATOM 542 C ASP A 33 0.958 0.714 -3.313 1.00 0.00 C ATOM 543 O ASP A 33 0.583 1.465 -4.191 1.00 0.00 O ATOM 544 CB ASP A 33 3.171 1.714 -2.656 1.00 0.00 C ATOM 545 CG ASP A 33 3.815 0.656 -3.558 1.00 0.00 C ATOM 546 OD1 ASP A 33 3.259 -0.423 -3.671 1.00 0.00 O ATOM 547 OD2 ASP A 33 4.859 0.945 -4.120 1.00 0.00 O ATOM 0 H ASP A 33 2.971 -0.250 -1.111 1.00 0.00 H new ATOM 0 HA ASP A 33 1.287 2.047 -1.666 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.044 2.645 -3.209 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.827 1.931 -1.813 1.00 0.00 H new ATOM 552 N ASP A 34 0.644 -0.553 -3.326 1.00 0.00 N ATOM 553 CA ASP A 34 -0.195 -1.110 -4.430 1.00 0.00 C ATOM 554 C ASP A 34 -1.663 -1.096 -4.002 1.00 0.00 C ATOM 555 O ASP A 34 -2.559 -1.111 -4.824 1.00 0.00 O ATOM 556 CB ASP A 34 0.235 -2.546 -4.718 1.00 0.00 C ATOM 557 CG ASP A 34 -0.542 -3.080 -5.924 1.00 0.00 C ATOM 558 OD1 ASP A 34 -1.176 -2.285 -6.597 1.00 0.00 O ATOM 559 OD2 ASP A 34 -0.490 -4.278 -6.150 1.00 0.00 O ATOM 0 H ASP A 34 0.932 -1.229 -2.619 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.069 -0.505 -5.328 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.306 -2.583 -4.917 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.051 -3.174 -3.846 1.00 0.00 H new ATOM 564 N ILE A 35 -1.910 -1.067 -2.715 1.00 0.00 N ATOM 565 CA ILE A 35 -3.315 -1.047 -2.200 1.00 0.00 C ATOM 566 C ILE A 35 -3.566 0.281 -1.495 1.00 0.00 C ATOM 567 O ILE A 35 -4.689 0.727 -1.384 1.00 0.00 O ATOM 568 CB ILE A 35 -3.512 -2.196 -1.204 1.00 0.00 C ATOM 569 CG1 ILE A 35 -2.301 -2.278 -0.266 1.00 0.00 C ATOM 570 CG2 ILE A 35 -3.665 -3.515 -1.964 1.00 0.00 C ATOM 571 CD1 ILE A 35 -2.665 -3.094 0.980 1.00 0.00 C ATOM 0 H ILE A 35 -1.191 -1.056 -1.992 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.012 -1.164 -3.029 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.411 -2.013 -0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.460 -2.741 -0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.985 -1.276 0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.805 -4.330 -1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.530 -3.456 -2.624 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.769 -3.700 -2.556 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.802 -3.150 1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.493 -2.613 1.501 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.959 -4.100 0.683 1.00 0.00 H new ATOM 583 N LEU A 36 -2.524 0.919 -1.019 1.00 0.00 N ATOM 584 CA LEU A 36 -2.692 2.227 -0.313 1.00 0.00 C ATOM 585 C LEU A 36 -2.134 3.367 -1.190 1.00 0.00 C ATOM 586 O LEU A 36 -0.934 3.526 -1.303 1.00 0.00 O ATOM 587 CB LEU A 36 -1.943 2.180 1.015 1.00 0.00 C ATOM 588 CG LEU A 36 -2.636 1.168 1.952 1.00 0.00 C ATOM 589 CD1 LEU A 36 -1.614 0.589 2.930 1.00 0.00 C ATOM 590 CD2 LEU A 36 -3.760 1.859 2.747 1.00 0.00 C ATOM 0 H LEU A 36 -1.562 0.589 -1.090 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.750 2.409 -0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.905 1.890 0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.929 3.169 1.474 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.064 0.368 1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.106 -0.125 3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.824 0.084 2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.182 1.394 3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.240 1.134 3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.339 2.667 3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.498 2.266 2.055 1.00 0.00 H new ATOM 602 N PRO A 37 -2.990 4.151 -1.812 1.00 0.00 N ATOM 603 CA PRO A 37 -2.559 5.282 -2.695 1.00 0.00 C ATOM 604 C PRO A 37 -1.463 6.173 -2.075 1.00 0.00 C ATOM 605 O PRO A 37 -1.192 6.123 -0.892 1.00 0.00 O ATOM 606 CB PRO A 37 -3.852 6.087 -2.900 1.00 0.00 C ATOM 607 CG PRO A 37 -4.957 5.094 -2.755 1.00 0.00 C ATOM 608 CD PRO A 37 -4.464 4.047 -1.757 1.00 0.00 C ATOM 0 HA PRO A 37 -2.110 4.910 -3.616 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.940 6.885 -2.163 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.872 6.557 -3.883 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.867 5.575 -2.397 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.196 4.635 -3.714 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.839 4.247 -0.753 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.802 3.047 -2.030 1.00 0.00 H new ATOM 616 N ASP A 38 -0.831 6.982 -2.888 1.00 0.00 N ATOM 617 CA ASP A 38 0.252 7.881 -2.385 1.00 0.00 C ATOM 618 C ASP A 38 -0.294 8.771 -1.263 1.00 0.00 C ATOM 619 O ASP A 38 0.329 8.948 -0.236 1.00 0.00 O ATOM 620 CB ASP A 38 0.722 8.771 -3.537 1.00 0.00 C ATOM 621 CG ASP A 38 2.032 9.461 -3.154 1.00 0.00 C ATOM 622 OD1 ASP A 38 3.035 8.773 -3.063 1.00 0.00 O ATOM 623 OD2 ASP A 38 2.009 10.664 -2.960 1.00 0.00 O ATOM 0 H ASP A 38 -1.021 7.058 -3.887 1.00 0.00 H new ATOM 0 HA ASP A 38 1.078 7.282 -2.003 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.865 8.173 -4.437 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.039 9.517 -3.767 1.00 0.00 H new ATOM 628 N GLN A 39 -1.447 9.342 -1.461 1.00 0.00 N ATOM 629 CA GLN A 39 -2.031 10.232 -0.415 1.00 0.00 C ATOM 630 C GLN A 39 -2.117 9.478 0.914 1.00 0.00 C ATOM 631 O GLN A 39 -2.187 10.075 1.970 1.00 0.00 O ATOM 632 CB GLN A 39 -3.432 10.679 -0.848 1.00 0.00 C ATOM 633 CG GLN A 39 -4.193 9.488 -1.430 1.00 0.00 C ATOM 634 CD GLN A 39 -5.630 9.903 -1.754 1.00 0.00 C ATOM 635 OE1 GLN A 39 -5.988 11.054 -1.603 1.00 0.00 O ATOM 636 NE2 GLN A 39 -6.474 9.010 -2.196 1.00 0.00 N ATOM 0 H GLN A 39 -2.013 9.232 -2.302 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.395 11.108 -0.289 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.974 11.088 0.005 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.358 11.474 -1.590 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.695 9.131 -2.332 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.194 8.662 -0.719 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.174 8.043 -2.323 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.433 9.279 -2.414 1.00 0.00 H new ATOM 645 N TYR A 40 -2.113 8.169 0.869 1.00 0.00 N ATOM 646 CA TYR A 40 -2.195 7.357 2.126 1.00 0.00 C ATOM 647 C TYR A 40 -0.850 6.669 2.377 1.00 0.00 C ATOM 648 O TYR A 40 -0.723 5.846 3.262 1.00 0.00 O ATOM 649 CB TYR A 40 -3.295 6.301 1.968 1.00 0.00 C ATOM 650 CG TYR A 40 -4.651 6.950 2.165 1.00 0.00 C ATOM 651 CD1 TYR A 40 -5.026 7.402 3.435 1.00 0.00 C ATOM 652 CD2 TYR A 40 -5.529 7.098 1.082 1.00 0.00 C ATOM 653 CE1 TYR A 40 -6.276 8.003 3.625 1.00 0.00 C ATOM 654 CE2 TYR A 40 -6.781 7.700 1.274 1.00 0.00 C ATOM 655 CZ TYR A 40 -7.154 8.153 2.546 1.00 0.00 C ATOM 656 OH TYR A 40 -8.386 8.746 2.735 1.00 0.00 O ATOM 0 H TYR A 40 -2.056 7.623 0.010 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.429 8.005 2.971 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.238 5.846 0.979 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.154 5.501 2.695 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.350 7.287 4.270 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.242 6.749 0.101 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.563 8.351 4.606 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -7.458 7.814 0.440 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.870 8.772 1.884 1.00 0.00 H new ATOM 666 N VAL A 41 0.157 7.002 1.607 1.00 0.00 N ATOM 667 CA VAL A 41 1.502 6.371 1.800 1.00 0.00 C ATOM 668 C VAL A 41 2.596 7.426 1.630 1.00 0.00 C ATOM 669 O VAL A 41 3.467 7.556 2.466 1.00 0.00 O ATOM 670 CB VAL A 41 1.697 5.271 0.760 1.00 0.00 C ATOM 671 CG1 VAL A 41 3.083 4.645 0.924 1.00 0.00 C ATOM 672 CG2 VAL A 41 0.627 4.201 0.959 1.00 0.00 C ATOM 0 H VAL A 41 0.106 7.685 0.851 1.00 0.00 H new ATOM 0 HA VAL A 41 1.561 5.946 2.802 1.00 0.00 H new ATOM 0 HB VAL A 41 1.613 5.695 -0.241 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.218 3.860 0.180 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.847 5.411 0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.173 4.217 1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.760 3.412 0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.716 3.779 1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.360 4.647 0.840 1.00 0.00 H new ATOM 682 N ARG A 42 2.544 8.179 0.554 1.00 0.00 N ATOM 683 CA ARG A 42 3.569 9.251 0.293 1.00 0.00 C ATOM 684 C ARG A 42 4.947 8.853 0.857 1.00 0.00 C ATOM 685 O ARG A 42 5.490 7.819 0.523 1.00 0.00 O ATOM 686 CB ARG A 42 3.104 10.575 0.926 1.00 0.00 C ATOM 687 CG ARG A 42 2.680 10.352 2.385 1.00 0.00 C ATOM 688 CD ARG A 42 2.362 11.697 3.040 1.00 0.00 C ATOM 689 NE ARG A 42 2.023 11.480 4.478 1.00 0.00 N ATOM 690 CZ ARG A 42 0.798 11.207 4.838 1.00 0.00 C ATOM 691 NH1 ARG A 42 -0.144 11.100 3.943 1.00 0.00 N ATOM 692 NH2 ARG A 42 0.519 11.038 6.101 1.00 0.00 N ATOM 0 H ARG A 42 1.826 8.097 -0.166 1.00 0.00 H new ATOM 0 HA ARG A 42 3.669 9.376 -0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.909 11.308 0.883 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.269 10.984 0.357 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.806 9.702 2.425 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.477 9.849 2.933 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.217 12.367 2.954 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.528 12.176 2.527 1.00 0.00 H new ATOM 0 HE ARG A 42 2.755 11.546 5.185 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.074 11.230 2.955 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.099 10.887 4.231 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.256 11.119 6.801 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.436 10.825 6.388 1.00 0.00 H new ATOM 706 N LEU A 43 5.509 9.663 1.714 1.00 0.00 N ATOM 707 CA LEU A 43 6.834 9.333 2.308 1.00 0.00 C ATOM 708 C LEU A 43 6.600 8.465 3.548 1.00 0.00 C ATOM 709 O LEU A 43 7.522 8.051 4.220 1.00 0.00 O ATOM 710 CB LEU A 43 7.536 10.637 2.707 1.00 0.00 C ATOM 711 CG LEU A 43 8.165 11.288 1.469 1.00 0.00 C ATOM 712 CD1 LEU A 43 7.073 11.608 0.444 1.00 0.00 C ATOM 713 CD2 LEU A 43 8.869 12.585 1.879 1.00 0.00 C ATOM 0 H LEU A 43 5.103 10.544 2.029 1.00 0.00 H new ATOM 0 HA LEU A 43 7.457 8.795 1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.821 11.320 3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.305 10.434 3.452 1.00 0.00 H new ATOM 0 HG LEU A 43 8.887 10.601 1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.523 12.070 -0.435 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.568 10.688 0.151 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.350 12.294 0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.317 13.049 1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.144 13.269 2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.648 12.361 2.608 1.00 0.00 H new ATOM 725 N GLY A 44 5.359 8.205 3.860 1.00 0.00 N ATOM 726 CA GLY A 44 5.035 7.384 5.062 1.00 0.00 C ATOM 727 C GLY A 44 5.962 6.163 5.145 1.00 0.00 C ATOM 728 O GLY A 44 6.597 5.789 4.179 1.00 0.00 O ATOM 0 H GLY A 44 4.550 8.529 3.330 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.140 7.989 5.962 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.996 7.057 5.017 1.00 0.00 H new ATOM 732 N PRO A 45 6.026 5.539 6.297 1.00 0.00 N ATOM 733 CA PRO A 45 6.873 4.328 6.520 1.00 0.00 C ATOM 734 C PRO A 45 6.297 3.108 5.794 1.00 0.00 C ATOM 735 O PRO A 45 6.937 2.085 5.664 1.00 0.00 O ATOM 736 CB PRO A 45 6.846 4.136 8.045 1.00 0.00 C ATOM 737 CG PRO A 45 5.567 4.772 8.492 1.00 0.00 C ATOM 738 CD PRO A 45 5.293 5.924 7.518 1.00 0.00 C ATOM 0 HA PRO A 45 7.885 4.445 6.131 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.875 3.079 8.310 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.708 4.607 8.518 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.750 4.051 8.480 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.653 5.140 9.514 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.226 6.038 7.324 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.649 6.875 7.914 1.00 0.00 H new ATOM 746 N LEU A 46 5.089 3.218 5.319 1.00 0.00 N ATOM 747 CA LEU A 46 4.464 2.079 4.595 1.00 0.00 C ATOM 748 C LEU A 46 4.935 2.122 3.140 1.00 0.00 C ATOM 749 O LEU A 46 4.590 1.282 2.333 1.00 0.00 O ATOM 750 CB LEU A 46 2.939 2.227 4.653 1.00 0.00 C ATOM 751 CG LEU A 46 2.477 2.298 6.116 1.00 0.00 C ATOM 752 CD1 LEU A 46 0.957 2.503 6.162 1.00 0.00 C ATOM 753 CD2 LEU A 46 2.845 0.999 6.853 1.00 0.00 C ATOM 0 H LEU A 46 4.506 4.051 5.402 1.00 0.00 H new ATOM 0 HA LEU A 46 4.748 1.130 5.050 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.632 3.127 4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.464 1.383 4.153 1.00 0.00 H new ATOM 0 HG LEU A 46 2.975 3.135 6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.628 2.554 7.200 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.700 3.432 5.654 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.462 1.669 5.665 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.512 1.062 7.889 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.358 0.154 6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.926 0.859 6.827 1.00 0.00 H new ATOM 765 N SER A 47 5.715 3.114 2.801 1.00 0.00 N ATOM 766 CA SER A 47 6.207 3.245 1.399 1.00 0.00 C ATOM 767 C SER A 47 7.124 2.078 1.027 1.00 0.00 C ATOM 768 O SER A 47 7.963 1.654 1.798 1.00 0.00 O ATOM 769 CB SER A 47 6.970 4.558 1.261 1.00 0.00 C ATOM 770 OG SER A 47 6.179 5.615 1.788 1.00 0.00 O ATOM 0 H SER A 47 6.034 3.843 3.439 1.00 0.00 H new ATOM 0 HA SER A 47 5.351 3.233 0.725 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.920 4.498 1.793 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.203 4.749 0.213 1.00 0.00 H new ATOM 0 HG SER A 47 6.562 5.918 2.638 1.00 0.00 H new ATOM 776 N ASN A 48 6.966 1.564 -0.166 1.00 0.00 N ATOM 777 CA ASN A 48 7.814 0.426 -0.628 1.00 0.00 C ATOM 778 C ASN A 48 7.851 -0.662 0.448 1.00 0.00 C ATOM 779 O ASN A 48 8.626 -1.596 0.373 1.00 0.00 O ATOM 780 CB ASN A 48 9.236 0.923 -0.911 1.00 0.00 C ATOM 781 CG ASN A 48 9.222 1.871 -2.117 1.00 0.00 C ATOM 782 OD1 ASN A 48 8.141 1.972 -2.845 1.00 0.00 O flip ATOM 783 ND2 ASN A 48 10.203 2.532 -2.396 1.00 0.00 N flip ATOM 0 H ASN A 48 6.278 1.888 -0.846 1.00 0.00 H new ATOM 0 HA ASN A 48 7.390 0.011 -1.542 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.632 1.438 -0.036 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.895 0.077 -1.109 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.048 2.455 -1.830 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.182 3.164 -3.197 1.00 0.00 H new ATOM 790 N LYS A 49 7.023 -0.555 1.451 1.00 0.00 N ATOM 791 CA LYS A 49 7.018 -1.586 2.530 1.00 0.00 C ATOM 792 C LYS A 49 6.034 -2.702 2.166 1.00 0.00 C ATOM 793 O LYS A 49 4.926 -2.451 1.731 1.00 0.00 O ATOM 794 CB LYS A 49 6.593 -0.936 3.845 1.00 0.00 C ATOM 795 CG LYS A 49 6.766 -1.939 4.986 1.00 0.00 C ATOM 796 CD LYS A 49 6.395 -1.272 6.311 1.00 0.00 C ATOM 797 CE LYS A 49 6.588 -2.269 7.454 1.00 0.00 C ATOM 798 NZ LYS A 49 6.248 -1.614 8.748 1.00 0.00 N ATOM 0 H LYS A 49 6.349 0.201 1.571 1.00 0.00 H new ATOM 0 HA LYS A 49 8.017 -2.008 2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.193 -0.046 4.034 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.554 -0.613 3.785 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.135 -2.811 4.816 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.796 -2.293 5.021 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.016 -0.391 6.474 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.360 -0.931 6.282 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.955 -3.143 7.299 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.619 -2.622 7.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.396 -2.287 9.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.858 -0.783 8.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.252 -1.314 8.734 1.00 0.00 H new ATOM 812 N ILE A 50 6.435 -3.933 2.330 1.00 0.00 N ATOM 813 CA ILE A 50 5.535 -5.071 1.982 1.00 0.00 C ATOM 814 C ILE A 50 4.625 -5.408 3.164 1.00 0.00 C ATOM 815 O ILE A 50 5.085 -5.701 4.250 1.00 0.00 O ATOM 816 CB ILE A 50 6.394 -6.279 1.624 1.00 0.00 C ATOM 817 CG1 ILE A 50 7.231 -5.930 0.390 1.00 0.00 C ATOM 818 CG2 ILE A 50 5.495 -7.485 1.321 1.00 0.00 C ATOM 819 CD1 ILE A 50 8.290 -7.008 0.167 1.00 0.00 C ATOM 0 H ILE A 50 7.350 -4.201 2.691 1.00 0.00 H new ATOM 0 HA ILE A 50 4.907 -4.796 1.134 1.00 0.00 H new ATOM 0 HB ILE A 50 7.048 -6.533 2.458 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.589 -5.850 -0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.708 -4.959 0.525 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.114 -8.345 1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.892 -7.719 2.199 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.839 -7.249 0.483 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.885 -6.758 -0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.940 -7.066 1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.802 -7.971 0.013 1.00 0.00 H new ATOM 831 N LEU A 51 3.330 -5.353 2.958 1.00 0.00 N ATOM 832 CA LEU A 51 2.361 -5.650 4.059 1.00 0.00 C ATOM 833 C LEU A 51 1.641 -6.972 3.797 1.00 0.00 C ATOM 834 O LEU A 51 1.391 -7.358 2.668 1.00 0.00 O ATOM 835 CB LEU A 51 1.337 -4.504 4.142 1.00 0.00 C ATOM 836 CG LEU A 51 1.879 -3.362 5.021 1.00 0.00 C ATOM 837 CD1 LEU A 51 1.914 -3.781 6.509 1.00 0.00 C ATOM 838 CD2 LEU A 51 3.292 -2.978 4.559 1.00 0.00 C ATOM 0 H LEU A 51 2.900 -5.113 2.065 1.00 0.00 H new ATOM 0 HA LEU A 51 2.901 -5.736 5.002 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.119 -4.129 3.142 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.399 -4.875 4.555 1.00 0.00 H new ATOM 0 HG LEU A 51 1.214 -2.504 4.919 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.301 -2.958 7.110 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.906 -4.030 6.841 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.560 -4.651 6.627 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.672 -2.170 5.184 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.950 -3.843 4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.258 -2.649 3.520 1.00 0.00 H new ATOM 850 N GLN A 52 1.302 -7.663 4.849 1.00 0.00 N ATOM 851 CA GLN A 52 0.592 -8.957 4.696 1.00 0.00 C ATOM 852 C GLN A 52 -0.906 -8.677 4.554 1.00 0.00 C ATOM 853 O GLN A 52 -1.575 -8.319 5.502 1.00 0.00 O ATOM 854 CB GLN A 52 0.851 -9.811 5.940 1.00 0.00 C ATOM 855 CG GLN A 52 0.216 -11.191 5.768 1.00 0.00 C ATOM 856 CD GLN A 52 0.911 -11.929 4.624 1.00 0.00 C ATOM 857 OE1 GLN A 52 2.116 -11.866 4.488 1.00 0.00 O ATOM 858 NE2 GLN A 52 0.197 -12.627 3.784 1.00 0.00 N ATOM 0 H GLN A 52 1.488 -7.383 5.812 1.00 0.00 H new ATOM 0 HA GLN A 52 0.947 -9.490 3.814 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.924 -9.913 6.104 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.439 -9.319 6.821 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.305 -11.763 6.692 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.849 -11.090 5.557 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.815 -12.681 3.897 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.651 -13.119 3.014 1.00 0.00 H new ATOM 867 N THR A 53 -1.433 -8.828 3.369 1.00 0.00 N ATOM 868 CA THR A 53 -2.885 -8.559 3.152 1.00 0.00 C ATOM 869 C THR A 53 -3.687 -9.848 3.343 1.00 0.00 C ATOM 870 O THR A 53 -3.316 -10.899 2.859 1.00 0.00 O ATOM 871 CB THR A 53 -3.084 -8.037 1.724 1.00 0.00 C ATOM 872 OG1 THR A 53 -2.283 -8.799 0.833 1.00 0.00 O ATOM 873 CG2 THR A 53 -2.671 -6.563 1.644 1.00 0.00 C ATOM 0 H THR A 53 -0.920 -9.127 2.540 1.00 0.00 H new ATOM 0 HA THR A 53 -3.232 -7.817 3.871 1.00 0.00 H new ATOM 0 HB THR A 53 -4.135 -8.129 1.450 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.118 -9.685 1.218 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.815 -6.199 0.627 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.283 -5.976 2.329 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.621 -6.464 1.919 1.00 0.00 H new ATOM 881 N ASN A 54 -4.794 -9.763 4.043 1.00 0.00 N ATOM 882 CA ASN A 54 -5.654 -10.964 4.276 1.00 0.00 C ATOM 883 C ASN A 54 -7.069 -10.666 3.786 1.00 0.00 C ATOM 884 O ASN A 54 -7.843 -10.003 4.446 1.00 0.00 O ATOM 885 CB ASN A 54 -5.674 -11.286 5.771 1.00 0.00 C ATOM 886 CG ASN A 54 -4.328 -11.894 6.169 1.00 0.00 C ATOM 887 OD1 ASN A 54 -3.571 -12.324 5.323 1.00 0.00 O ATOM 888 ND2 ASN A 54 -3.996 -11.949 7.429 1.00 0.00 N ATOM 0 H ASN A 54 -5.141 -8.902 4.467 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.257 -11.821 3.731 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -5.863 -10.381 6.348 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.482 -11.982 5.995 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.101 -12.353 7.703 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.632 -11.588 8.140 1.00 0.00 H new ATOM 895 N THR A 55 -7.407 -11.153 2.621 1.00 0.00 N ATOM 896 CA THR A 55 -8.767 -10.905 2.058 1.00 0.00 C ATOM 897 C THR A 55 -9.666 -12.102 2.340 1.00 0.00 C ATOM 898 O THR A 55 -9.248 -13.240 2.244 1.00 0.00 O ATOM 899 CB THR A 55 -8.662 -10.697 0.549 1.00 0.00 C ATOM 900 OG1 THR A 55 -7.852 -9.560 0.286 1.00 0.00 O ATOM 901 CG2 THR A 55 -10.060 -10.474 -0.029 1.00 0.00 C ATOM 0 H THR A 55 -6.794 -11.716 2.031 1.00 0.00 H new ATOM 0 HA THR A 55 -9.192 -10.015 2.523 1.00 0.00 H new ATOM 0 HB THR A 55 -8.214 -11.577 0.087 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.782 -9.425 -0.682 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.989 -10.325 -1.106 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.682 -11.345 0.177 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.507 -9.592 0.430 1.00 0.00 H new ATOM 909 N TYR A 56 -10.903 -11.852 2.687 1.00 0.00 N ATOM 910 CA TYR A 56 -11.852 -12.970 2.974 1.00 0.00 C ATOM 911 C TYR A 56 -12.842 -13.091 1.818 1.00 0.00 C ATOM 912 O TYR A 56 -13.431 -12.117 1.393 1.00 0.00 O ATOM 913 CB TYR A 56 -12.608 -12.663 4.265 1.00 0.00 C ATOM 914 CG TYR A 56 -11.648 -12.726 5.423 1.00 0.00 C ATOM 915 CD1 TYR A 56 -10.894 -11.599 5.771 1.00 0.00 C ATOM 916 CD2 TYR A 56 -11.506 -13.915 6.147 1.00 0.00 C ATOM 917 CE1 TYR A 56 -9.999 -11.662 6.845 1.00 0.00 C ATOM 918 CE2 TYR A 56 -10.612 -13.978 7.220 1.00 0.00 C ATOM 919 CZ TYR A 56 -9.857 -12.852 7.569 1.00 0.00 C ATOM 920 OH TYR A 56 -8.975 -12.916 8.627 1.00 0.00 O ATOM 0 H TYR A 56 -11.298 -10.917 2.784 1.00 0.00 H new ATOM 0 HA TYR A 56 -11.305 -13.906 3.086 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -13.064 -11.675 4.208 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.417 -13.380 4.407 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -11.003 -10.682 5.211 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -12.087 -14.784 5.877 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -9.418 -10.793 7.115 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -10.504 -14.895 7.780 1.00 0.00 H new ATOM 0 HH TYR A 56 -9.000 -13.813 9.020 1.00 0.00 H new ATOM 930 N TYR A 57 -13.025 -14.283 1.303 1.00 0.00 N ATOM 931 CA TYR A 57 -13.974 -14.487 0.164 1.00 0.00 C ATOM 932 C TYR A 57 -15.100 -15.420 0.596 1.00 0.00 C ATOM 933 O TYR A 57 -14.867 -16.479 1.147 1.00 0.00 O ATOM 934 CB TYR A 57 -13.216 -15.116 -1.006 1.00 0.00 C ATOM 935 CG TYR A 57 -12.218 -14.122 -1.553 1.00 0.00 C ATOM 936 CD1 TYR A 57 -12.643 -13.123 -2.436 1.00 0.00 C ATOM 937 CD2 TYR A 57 -10.870 -14.199 -1.180 1.00 0.00 C ATOM 938 CE1 TYR A 57 -11.723 -12.200 -2.946 1.00 0.00 C ATOM 939 CE2 TYR A 57 -9.949 -13.276 -1.691 1.00 0.00 C ATOM 940 CZ TYR A 57 -10.376 -12.278 -2.575 1.00 0.00 C ATOM 941 OH TYR A 57 -9.469 -11.367 -3.077 1.00 0.00 O ATOM 0 H TYR A 57 -12.554 -15.129 1.625 1.00 0.00 H new ATOM 0 HA TYR A 57 -14.397 -13.529 -0.138 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.702 -16.019 -0.677 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -13.915 -15.414 -1.788 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -13.682 -13.064 -2.724 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -10.541 -14.970 -0.499 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -12.052 -11.428 -3.626 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.910 -13.334 -1.403 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.578 -11.561 -2.719 1.00 0.00 H new ATOM 951 N SER A 58 -16.325 -15.034 0.345 1.00 0.00 N ATOM 952 CA SER A 58 -17.488 -15.891 0.727 1.00 0.00 C ATOM 953 C SER A 58 -18.523 -15.887 -0.405 1.00 0.00 C ATOM 954 O SER A 58 -18.495 -15.048 -1.284 1.00 0.00 O ATOM 955 CB SER A 58 -18.121 -15.346 2.012 1.00 0.00 C ATOM 956 OG SER A 58 -18.746 -16.415 2.711 1.00 0.00 O ATOM 0 H SER A 58 -16.571 -14.156 -0.111 1.00 0.00 H new ATOM 0 HA SER A 58 -17.149 -16.913 0.897 1.00 0.00 H new ATOM 0 HB2 SER A 58 -17.360 -14.881 2.638 1.00 0.00 H new ATOM 0 HB3 SER A 58 -18.853 -14.574 1.773 1.00 0.00 H new ATOM 0 HG SER A 58 -18.199 -16.663 3.485 1.00 0.00 H new ATOM 962 N ASP A 59 -19.442 -16.810 -0.378 1.00 0.00 N ATOM 963 CA ASP A 59 -20.491 -16.857 -1.436 1.00 0.00 C ATOM 964 C ASP A 59 -21.362 -15.596 -1.358 1.00 0.00 C ATOM 965 O ASP A 59 -21.708 -15.002 -2.361 1.00 0.00 O ATOM 966 CB ASP A 59 -21.358 -18.101 -1.222 1.00 0.00 C ATOM 967 CG ASP A 59 -21.936 -18.099 0.198 1.00 0.00 C ATOM 968 OD1 ASP A 59 -21.526 -17.263 0.987 1.00 0.00 O ATOM 969 OD2 ASP A 59 -22.771 -18.941 0.477 1.00 0.00 O ATOM 0 H ASP A 59 -19.513 -17.537 0.334 1.00 0.00 H new ATOM 0 HA ASP A 59 -20.022 -16.902 -2.419 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -22.167 -18.121 -1.953 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -20.763 -19.001 -1.380 1.00 0.00 H new ATOM 974 N THR A 60 -21.716 -15.181 -0.176 1.00 0.00 N ATOM 975 CA THR A 60 -22.553 -13.960 -0.029 1.00 0.00 C ATOM 976 C THR A 60 -21.735 -12.736 -0.441 1.00 0.00 C ATOM 977 O THR A 60 -22.205 -11.863 -1.145 1.00 0.00 O ATOM 978 CB THR A 60 -22.983 -13.818 1.429 1.00 0.00 C ATOM 979 OG1 THR A 60 -23.511 -15.057 1.884 1.00 0.00 O ATOM 980 CG2 THR A 60 -24.051 -12.733 1.550 1.00 0.00 C ATOM 0 H THR A 60 -21.460 -15.637 0.700 1.00 0.00 H new ATOM 0 HA THR A 60 -23.436 -14.039 -0.664 1.00 0.00 H new ATOM 0 HB THR A 60 -22.121 -13.540 2.036 1.00 0.00 H new ATOM 0 HG1 THR A 60 -24.440 -14.932 2.169 1.00 0.00 H new ATOM 0 HG21 THR A 60 -24.354 -12.636 2.592 1.00 0.00 H new ATOM 0 HG22 THR A 60 -23.646 -11.783 1.200 1.00 0.00 H new ATOM 0 HG23 THR A 60 -24.916 -13.004 0.944 1.00 0.00 H new ATOM 988 N LEU A 61 -20.513 -12.665 0.005 1.00 0.00 N ATOM 989 CA LEU A 61 -19.651 -11.502 -0.343 1.00 0.00 C ATOM 990 C LEU A 61 -19.438 -11.480 -1.857 1.00 0.00 C ATOM 991 O LEU A 61 -19.452 -10.441 -2.486 1.00 0.00 O ATOM 992 CB LEU A 61 -18.293 -11.628 0.378 1.00 0.00 C ATOM 993 CG LEU A 61 -18.342 -10.983 1.780 1.00 0.00 C ATOM 994 CD1 LEU A 61 -19.124 -11.872 2.749 1.00 0.00 C ATOM 995 CD2 LEU A 61 -16.913 -10.807 2.312 1.00 0.00 C ATOM 0 H LEU A 61 -20.071 -13.367 0.599 1.00 0.00 H new ATOM 0 HA LEU A 61 -20.132 -10.576 -0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -18.023 -12.680 0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -17.516 -11.149 -0.218 1.00 0.00 H new ATOM 0 HG LEU A 61 -18.837 -10.015 1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -19.149 -11.403 3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -20.142 -12.002 2.383 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -18.638 -12.845 2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -16.947 -10.352 3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -16.426 -11.780 2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -16.350 -10.164 1.636 1.00 0.00 H new ATOM 1007 N HIS A 62 -19.237 -12.617 -2.447 1.00 0.00 N ATOM 1008 CA HIS A 62 -19.023 -12.650 -3.914 1.00 0.00 C ATOM 1009 C HIS A 62 -20.247 -12.038 -4.595 1.00 0.00 C ATOM 1010 O HIS A 62 -20.136 -11.215 -5.481 1.00 0.00 O ATOM 1011 CB HIS A 62 -18.856 -14.100 -4.354 1.00 0.00 C ATOM 1012 CG HIS A 62 -18.529 -14.145 -5.818 1.00 0.00 C ATOM 1013 ND1 HIS A 62 -19.510 -14.102 -6.794 1.00 0.00 N ATOM 1014 CD2 HIS A 62 -17.335 -14.231 -6.488 1.00 0.00 C ATOM 1015 CE1 HIS A 62 -18.896 -14.161 -7.989 1.00 0.00 C ATOM 1016 NE2 HIS A 62 -17.569 -14.241 -7.860 1.00 0.00 N ATOM 0 H HIS A 62 -19.211 -13.523 -1.980 1.00 0.00 H new ATOM 0 HA HIS A 62 -18.131 -12.086 -4.186 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -18.062 -14.577 -3.779 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -19.771 -14.658 -4.158 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -16.362 -14.283 -6.022 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -19.413 -14.146 -8.937 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -16.876 -14.297 -8.606 1.00 0.00 H new ATOM 1024 N LYS A 63 -21.418 -12.430 -4.175 1.00 0.00 N ATOM 1025 CA LYS A 63 -22.658 -11.868 -4.777 1.00 0.00 C ATOM 1026 C LYS A 63 -22.749 -10.377 -4.440 1.00 0.00 C ATOM 1027 O LYS A 63 -23.099 -9.559 -5.266 1.00 0.00 O ATOM 1028 CB LYS A 63 -23.867 -12.594 -4.193 1.00 0.00 C ATOM 1029 CG LYS A 63 -23.862 -14.054 -4.657 1.00 0.00 C ATOM 1030 CD LYS A 63 -25.006 -14.823 -3.978 1.00 0.00 C ATOM 1031 CE LYS A 63 -26.343 -14.492 -4.652 1.00 0.00 C ATOM 1032 NZ LYS A 63 -27.389 -15.437 -4.164 1.00 0.00 N ATOM 0 H LYS A 63 -21.569 -13.118 -3.438 1.00 0.00 H new ATOM 0 HA LYS A 63 -22.638 -11.997 -5.859 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -23.841 -12.548 -3.104 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -24.787 -12.104 -4.511 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -23.974 -14.101 -5.740 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -22.906 -14.518 -4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -24.817 -15.895 -4.036 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -25.050 -14.564 -2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -26.632 -13.465 -4.428 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -26.246 -14.567 -5.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -28.297 -15.215 -4.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -27.113 -16.412 -4.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -27.487 -15.344 -3.133 1.00 0.00 H new ATOM 1046 N SER A 64 -22.439 -10.025 -3.222 1.00 0.00 N ATOM 1047 CA SER A 64 -22.502 -8.596 -2.812 1.00 0.00 C ATOM 1048 C SER A 64 -21.333 -7.848 -3.454 1.00 0.00 C ATOM 1049 O SER A 64 -21.238 -6.640 -3.378 1.00 0.00 O ATOM 1050 CB SER A 64 -22.400 -8.508 -1.289 1.00 0.00 C ATOM 1051 OG SER A 64 -22.639 -7.171 -0.870 1.00 0.00 O ATOM 0 H SER A 64 -22.143 -10.671 -2.490 1.00 0.00 H new ATOM 0 HA SER A 64 -23.443 -8.151 -3.136 1.00 0.00 H new ATOM 0 HB2 SER A 64 -23.124 -9.179 -0.827 1.00 0.00 H new ATOM 0 HB3 SER A 64 -21.412 -8.831 -0.962 1.00 0.00 H new ATOM 0 HG SER A 64 -23.501 -7.122 -0.407 1.00 0.00 H new ATOM 1057 N ASN A 65 -20.444 -8.571 -4.080 1.00 0.00 N ATOM 1058 CA ASN A 65 -19.263 -7.938 -4.742 1.00 0.00 C ATOM 1059 C ASN A 65 -18.453 -7.134 -3.721 1.00 0.00 C ATOM 1060 O ASN A 65 -17.891 -6.105 -4.038 1.00 0.00 O ATOM 1061 CB ASN A 65 -19.722 -7.020 -5.882 1.00 0.00 C ATOM 1062 CG ASN A 65 -20.246 -7.876 -7.036 1.00 0.00 C ATOM 1063 OD1 ASN A 65 -19.969 -9.056 -7.100 1.00 0.00 O ATOM 1064 ND2 ASN A 65 -20.993 -7.330 -7.955 1.00 0.00 N ATOM 0 H ASN A 65 -20.485 -9.587 -4.163 1.00 0.00 H new ATOM 0 HA ASN A 65 -18.632 -8.726 -5.154 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -20.503 -6.345 -5.530 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -18.893 -6.399 -6.221 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -21.345 -7.895 -8.728 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -21.225 -6.338 -7.901 1.00 0.00 H new ATOM 1071 N ILE A 66 -18.376 -7.606 -2.501 1.00 0.00 N ATOM 1072 CA ILE A 66 -17.589 -6.883 -1.450 1.00 0.00 C ATOM 1073 C ILE A 66 -16.341 -7.702 -1.125 1.00 0.00 C ATOM 1074 O ILE A 66 -16.422 -8.883 -0.846 1.00 0.00 O ATOM 1075 CB ILE A 66 -18.449 -6.735 -0.193 1.00 0.00 C ATOM 1076 CG1 ILE A 66 -19.779 -6.062 -0.564 1.00 0.00 C ATOM 1077 CG2 ILE A 66 -17.714 -5.882 0.845 1.00 0.00 C ATOM 1078 CD1 ILE A 66 -19.527 -4.741 -1.311 1.00 0.00 C ATOM 0 H ILE A 66 -18.826 -8.465 -2.185 1.00 0.00 H new ATOM 0 HA ILE A 66 -17.299 -5.895 -1.807 1.00 0.00 H new ATOM 0 HB ILE A 66 -18.642 -7.721 0.230 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.370 -6.732 -1.188 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -20.360 -5.871 0.338 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -18.332 -5.781 1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.772 -6.362 1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -17.514 -4.895 0.429 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.481 -4.279 -1.565 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -18.955 -4.066 -0.674 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -18.966 -4.941 -2.224 1.00 0.00 H new ATOM 1090 N TYR A 67 -15.181 -7.085 -1.180 1.00 0.00 N ATOM 1091 CA TYR A 67 -13.907 -7.823 -0.896 1.00 0.00 C ATOM 1092 C TYR A 67 -13.148 -7.137 0.252 1.00 0.00 C ATOM 1093 O TYR A 67 -12.307 -6.291 0.017 1.00 0.00 O ATOM 1094 CB TYR A 67 -13.042 -7.810 -2.153 1.00 0.00 C ATOM 1095 CG TYR A 67 -13.811 -8.460 -3.280 1.00 0.00 C ATOM 1096 CD1 TYR A 67 -14.090 -9.830 -3.233 1.00 0.00 C ATOM 1097 CD2 TYR A 67 -14.247 -7.693 -4.368 1.00 0.00 C ATOM 1098 CE1 TYR A 67 -14.805 -10.436 -4.273 1.00 0.00 C ATOM 1099 CE2 TYR A 67 -14.961 -8.300 -5.409 1.00 0.00 C ATOM 1100 CZ TYR A 67 -15.239 -9.671 -5.362 1.00 0.00 C ATOM 1101 OH TYR A 67 -15.943 -10.268 -6.388 1.00 0.00 O ATOM 0 H TYR A 67 -15.063 -6.098 -1.410 1.00 0.00 H new ATOM 0 HA TYR A 67 -14.135 -8.849 -0.607 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -12.777 -6.787 -2.418 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.109 -8.345 -1.975 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -13.754 -10.421 -2.394 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.033 -6.635 -4.404 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -15.022 -11.493 -4.235 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -15.297 -7.710 -6.249 1.00 0.00 H new ATOM 0 HH TYR A 67 -16.169 -9.596 -7.064 1.00 0.00 H new ATOM 1111 N PRO A 68 -13.441 -7.490 1.484 1.00 0.00 N ATOM 1112 CA PRO A 68 -12.768 -6.886 2.666 1.00 0.00 C ATOM 1113 C PRO A 68 -11.348 -7.420 2.869 1.00 0.00 C ATOM 1114 O PRO A 68 -11.058 -8.569 2.598 1.00 0.00 O ATOM 1115 CB PRO A 68 -13.691 -7.246 3.842 1.00 0.00 C ATOM 1116 CG PRO A 68 -14.425 -8.485 3.417 1.00 0.00 C ATOM 1117 CD PRO A 68 -14.433 -8.503 1.880 1.00 0.00 C ATOM 0 HA PRO A 68 -12.632 -5.810 2.554 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.116 -7.424 4.751 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.385 -6.434 4.058 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.935 -9.376 3.810 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.443 -8.482 3.807 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.167 -9.488 1.495 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.421 -8.263 1.487 1.00 0.00 H new ATOM 1125 N PHE A 69 -10.459 -6.588 3.349 1.00 0.00 N ATOM 1126 CA PHE A 69 -9.055 -7.038 3.573 1.00 0.00 C ATOM 1127 C PHE A 69 -8.486 -6.354 4.814 1.00 0.00 C ATOM 1128 O PHE A 69 -8.859 -5.244 5.153 1.00 0.00 O ATOM 1129 CB PHE A 69 -8.208 -6.672 2.353 1.00 0.00 C ATOM 1130 CG PHE A 69 -8.214 -5.172 2.164 1.00 0.00 C ATOM 1131 CD1 PHE A 69 -7.255 -4.381 2.809 1.00 0.00 C ATOM 1132 CD2 PHE A 69 -9.173 -4.573 1.337 1.00 0.00 C ATOM 1133 CE1 PHE A 69 -7.255 -2.992 2.628 1.00 0.00 C ATOM 1134 CE2 PHE A 69 -9.174 -3.185 1.157 1.00 0.00 C ATOM 1135 CZ PHE A 69 -8.214 -2.394 1.802 1.00 0.00 C ATOM 0 H PHE A 69 -10.647 -5.616 3.595 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.038 -8.118 3.720 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.186 -7.028 2.487 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.603 -7.163 1.463 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.515 -4.842 3.446 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.912 -5.183 0.838 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.515 -2.383 3.126 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.915 -2.724 0.521 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.214 -1.323 1.662 1.00 0.00 H new ATOM 1145 N ILE A 70 -7.574 -7.015 5.488 1.00 0.00 N ATOM 1146 CA ILE A 70 -6.949 -6.427 6.713 1.00 0.00 C ATOM 1147 C ILE A 70 -5.429 -6.483 6.580 1.00 0.00 C ATOM 1148 O ILE A 70 -4.862 -7.498 6.221 1.00 0.00 O ATOM 1149 CB ILE A 70 -7.381 -7.220 7.947 1.00 0.00 C ATOM 1150 CG1 ILE A 70 -8.897 -7.096 8.121 1.00 0.00 C ATOM 1151 CG2 ILE A 70 -6.670 -6.656 9.184 1.00 0.00 C ATOM 1152 CD1 ILE A 70 -9.372 -8.073 9.196 1.00 0.00 C ATOM 0 H ILE A 70 -7.234 -7.944 5.239 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.271 -5.391 6.821 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.116 -8.270 7.824 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.159 -6.076 8.402 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.400 -7.306 7.177 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.975 -7.218 10.067 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.591 -6.741 9.054 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.938 -5.607 9.311 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.451 -7.983 9.318 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.124 -9.092 8.897 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.879 -7.842 10.141 1.00 0.00 H new ATOM 1164 N LEU A 71 -4.761 -5.397 6.859 1.00 0.00 N ATOM 1165 CA LEU A 71 -3.277 -5.379 6.737 1.00 0.00 C ATOM 1166 C LEU A 71 -2.653 -5.780 8.068 1.00 0.00 C ATOM 1167 O LEU A 71 -3.006 -5.265 9.113 1.00 0.00 O ATOM 1168 CB LEU A 71 -2.820 -3.966 6.376 1.00 0.00 C ATOM 1169 CG LEU A 71 -3.649 -3.429 5.203 1.00 0.00 C ATOM 1170 CD1 LEU A 71 -2.997 -2.157 4.658 1.00 0.00 C ATOM 1171 CD2 LEU A 71 -3.731 -4.477 4.089 1.00 0.00 C ATOM 0 H LEU A 71 -5.181 -4.520 7.167 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.966 -6.079 5.961 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.928 -3.309 7.239 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.763 -3.974 6.111 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.656 -3.205 5.554 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.586 -1.775 3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.952 -1.405 5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.987 -2.384 4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.322 -4.084 3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.727 -4.713 3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.202 -5.381 4.474 1.00 0.00 H new ATOM 1183 N TYR A 72 -1.721 -6.699 8.028 1.00 0.00 N ATOM 1184 CA TYR A 72 -1.048 -7.166 9.275 1.00 0.00 C ATOM 1185 C TYR A 72 0.458 -6.962 9.159 1.00 0.00 C ATOM 1186 O TYR A 72 1.039 -7.065 8.093 1.00 0.00 O ATOM 1187 CB TYR A 72 -1.335 -8.653 9.476 1.00 0.00 C ATOM 1188 CG TYR A 72 -2.781 -8.835 9.870 1.00 0.00 C ATOM 1189 CD1 TYR A 72 -3.202 -8.452 11.148 1.00 0.00 C ATOM 1190 CD2 TYR A 72 -3.697 -9.388 8.965 1.00 0.00 C ATOM 1191 CE1 TYR A 72 -4.539 -8.620 11.524 1.00 0.00 C ATOM 1192 CE2 TYR A 72 -5.035 -9.555 9.342 1.00 0.00 C ATOM 1193 CZ TYR A 72 -5.456 -9.172 10.622 1.00 0.00 C ATOM 1194 OH TYR A 72 -6.774 -9.337 10.994 1.00 0.00 O ATOM 0 H TYR A 72 -1.395 -7.150 7.173 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.427 -6.594 10.122 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.124 -9.203 8.559 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.682 -9.060 10.248 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -2.495 -8.027 11.844 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -3.372 -9.685 7.979 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.864 -8.324 12.511 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.743 -9.979 8.646 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.815 -9.789 11.863 1.00 0.00 H new ATOM 1204 N TYR A 73 1.093 -6.688 10.263 1.00 0.00 N ATOM 1205 CA TYR A 73 2.567 -6.488 10.265 1.00 0.00 C ATOM 1206 C TYR A 73 3.113 -7.005 11.593 1.00 0.00 C ATOM 1207 O TYR A 73 3.189 -6.283 12.565 1.00 0.00 O ATOM 1208 CB TYR A 73 2.883 -5.000 10.110 1.00 0.00 C ATOM 1209 CG TYR A 73 4.370 -4.778 10.260 1.00 0.00 C ATOM 1210 CD1 TYR A 73 5.237 -5.118 9.214 1.00 0.00 C ATOM 1211 CD2 TYR A 73 4.882 -4.230 11.442 1.00 0.00 C ATOM 1212 CE1 TYR A 73 6.615 -4.909 9.350 1.00 0.00 C ATOM 1213 CE2 TYR A 73 6.260 -4.020 11.579 1.00 0.00 C ATOM 1214 CZ TYR A 73 7.127 -4.359 10.533 1.00 0.00 C ATOM 1215 OH TYR A 73 8.484 -4.153 10.667 1.00 0.00 O ATOM 0 H TYR A 73 0.647 -6.593 11.175 1.00 0.00 H new ATOM 0 HA TYR A 73 3.027 -7.027 9.437 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.549 -4.647 9.134 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.342 -4.423 10.860 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.843 -5.542 8.302 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.214 -3.969 12.249 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.283 -5.172 8.543 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.654 -3.597 12.491 1.00 0.00 H new ATOM 0 HH TYR A 73 8.671 -3.764 11.547 1.00 0.00 H new ATOM 1225 N GLN A 74 3.471 -8.260 11.630 1.00 0.00 N ATOM 1226 CA GLN A 74 4.003 -8.882 12.879 1.00 0.00 C ATOM 1227 C GLN A 74 2.839 -9.124 13.846 1.00 0.00 C ATOM 1228 O GLN A 74 2.962 -8.955 15.043 1.00 0.00 O ATOM 1229 CB GLN A 74 5.062 -7.970 13.524 1.00 0.00 C ATOM 1230 CG GLN A 74 5.984 -8.795 14.429 1.00 0.00 C ATOM 1231 CD GLN A 74 6.847 -9.725 13.571 1.00 0.00 C ATOM 1232 OE1 GLN A 74 7.554 -9.278 12.692 1.00 0.00 O ATOM 1233 NE2 GLN A 74 6.816 -11.010 13.793 1.00 0.00 N ATOM 0 H GLN A 74 3.416 -8.893 10.832 1.00 0.00 H new ATOM 0 HA GLN A 74 4.481 -9.832 12.640 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.647 -7.475 12.749 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.574 -7.187 14.105 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.619 -8.133 15.018 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.392 -9.379 15.133 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.222 -11.386 14.532 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.386 -11.639 13.228 1.00 0.00 H new ATOM 1242 N LYS A 75 1.715 -9.532 13.320 1.00 0.00 N ATOM 1243 CA LYS A 75 0.518 -9.813 14.171 1.00 0.00 C ATOM 1244 C LYS A 75 -0.090 -8.505 14.674 1.00 0.00 C ATOM 1245 O LYS A 75 -0.921 -8.504 15.562 1.00 0.00 O ATOM 1246 CB LYS A 75 0.923 -10.697 15.366 1.00 0.00 C ATOM 1247 CG LYS A 75 -0.284 -11.521 15.842 1.00 0.00 C ATOM 1248 CD LYS A 75 0.142 -12.499 16.947 1.00 0.00 C ATOM 1249 CE LYS A 75 0.856 -13.718 16.348 1.00 0.00 C ATOM 1250 NZ LYS A 75 1.027 -14.752 17.404 1.00 0.00 N ATOM 0 H LYS A 75 1.572 -9.685 12.322 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.226 -10.339 13.572 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.737 -11.362 15.078 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.293 -10.075 16.181 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.063 -10.856 16.216 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.711 -12.072 15.004 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.803 -11.994 17.651 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.734 -12.824 17.509 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.277 -14.122 15.517 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.827 -13.426 15.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.511 -15.581 17.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.596 -14.362 18.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.094 -15.037 17.765 1.00 0.00 H new ATOM 1264 N GLN A 76 0.311 -7.394 14.114 1.00 0.00 N ATOM 1265 CA GLN A 76 -0.245 -6.076 14.553 1.00 0.00 C ATOM 1266 C GLN A 76 -1.174 -5.522 13.485 1.00 0.00 C ATOM 1267 O GLN A 76 -1.048 -5.814 12.313 1.00 0.00 O ATOM 1268 CB GLN A 76 0.896 -5.095 14.795 1.00 0.00 C ATOM 1269 CG GLN A 76 1.613 -5.467 16.090 1.00 0.00 C ATOM 1270 CD GLN A 76 0.700 -5.183 17.286 1.00 0.00 C ATOM 1271 OE1 GLN A 76 0.135 -4.113 17.392 1.00 0.00 O ATOM 1272 NE2 GLN A 76 0.529 -6.103 18.196 1.00 0.00 N ATOM 0 H GLN A 76 1.004 -7.341 13.367 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.807 -6.216 15.477 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.595 -5.118 13.959 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.509 -4.078 14.859 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.890 -6.521 16.074 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.537 -4.896 16.182 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.003 -7.002 18.108 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -0.079 -5.923 18.995 1.00 0.00 H new ATOM 1281 N LEU A 77 -2.113 -4.721 13.893 1.00 0.00 N ATOM 1282 CA LEU A 77 -3.079 -4.131 12.920 1.00 0.00 C ATOM 1283 C LEU A 77 -2.554 -2.787 12.416 1.00 0.00 C ATOM 1284 O LEU A 77 -2.272 -1.890 13.187 1.00 0.00 O ATOM 1285 CB LEU A 77 -4.425 -3.917 13.613 1.00 0.00 C ATOM 1286 CG LEU A 77 -5.466 -3.396 12.607 1.00 0.00 C ATOM 1287 CD1 LEU A 77 -5.751 -4.454 11.525 1.00 0.00 C ATOM 1288 CD2 LEU A 77 -6.757 -3.050 13.359 1.00 0.00 C ATOM 0 H LEU A 77 -2.257 -4.445 14.864 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.199 -4.810 12.076 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.769 -4.854 14.051 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.312 -3.206 14.431 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.076 -2.505 12.115 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.490 -4.067 10.823 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.829 -4.686 10.991 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.136 -5.359 11.994 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.501 -2.680 12.654 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.140 -3.942 13.855 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.549 -2.282 14.104 1.00 0.00 H new ATOM 1300 N ILE A 78 -2.435 -2.637 11.122 1.00 0.00 N ATOM 1301 CA ILE A 78 -1.947 -1.349 10.544 1.00 0.00 C ATOM 1302 C ILE A 78 -3.126 -0.576 9.950 1.00 0.00 C ATOM 1303 O ILE A 78 -3.304 0.599 10.206 1.00 0.00 O ATOM 1304 CB ILE A 78 -0.937 -1.656 9.445 1.00 0.00 C ATOM 1305 CG1 ILE A 78 0.191 -2.528 10.015 1.00 0.00 C ATOM 1306 CG2 ILE A 78 -0.362 -0.355 8.883 1.00 0.00 C ATOM 1307 CD1 ILE A 78 0.846 -1.853 11.232 1.00 0.00 C ATOM 0 H ILE A 78 -2.657 -3.358 10.435 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.479 -0.747 11.323 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.435 -2.195 8.639 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.207 -3.501 10.304 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.942 -2.707 9.245 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.359 -0.585 8.098 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.168 0.250 8.469 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.134 0.198 9.681 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.642 -2.491 11.617 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.264 -0.891 10.934 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.097 -1.698 12.009 1.00 0.00 H new ATOM 1319 N ALA A 79 -3.936 -1.219 9.154 1.00 0.00 N ATOM 1320 CA ALA A 79 -5.094 -0.500 8.550 1.00 0.00 C ATOM 1321 C ALA A 79 -6.148 -1.498 8.082 1.00 0.00 C ATOM 1322 O ALA A 79 -5.875 -2.665 7.892 1.00 0.00 O ATOM 1323 CB ALA A 79 -4.621 0.314 7.350 1.00 0.00 C ATOM 0 H ALA A 79 -3.848 -2.202 8.897 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.527 0.159 9.303 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.469 0.839 6.910 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.874 1.039 7.674 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.182 -0.353 6.608 1.00 0.00 H new ATOM 1329 N ILE A 80 -7.356 -1.035 7.887 1.00 0.00 N ATOM 1330 CA ILE A 80 -8.454 -1.934 7.419 1.00 0.00 C ATOM 1331 C ILE A 80 -9.242 -1.240 6.312 1.00 0.00 C ATOM 1332 O ILE A 80 -9.409 -0.038 6.316 1.00 0.00 O ATOM 1333 CB ILE A 80 -9.396 -2.243 8.581 1.00 0.00 C ATOM 1334 CG1 ILE A 80 -8.639 -3.040 9.644 1.00 0.00 C ATOM 1335 CG2 ILE A 80 -10.580 -3.067 8.069 1.00 0.00 C ATOM 1336 CD1 ILE A 80 -9.489 -3.153 10.911 1.00 0.00 C ATOM 0 H ILE A 80 -7.631 -0.064 8.033 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.022 -2.861 7.041 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.763 -1.313 9.015 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.401 -4.034 9.265 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.692 -2.551 9.873 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.254 -3.289 8.897 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.115 -2.500 7.307 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.215 -3.999 7.638 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.945 -3.722 11.665 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.705 -2.156 11.295 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.424 -3.662 10.678 1.00 0.00 H new ATOM 1348 N GLY A 81 -9.736 -1.987 5.365 1.00 0.00 N ATOM 1349 CA GLY A 81 -10.517 -1.353 4.270 1.00 0.00 C ATOM 1350 C GLY A 81 -11.131 -2.437 3.390 1.00 0.00 C ATOM 1351 O GLY A 81 -10.835 -3.607 3.536 1.00 0.00 O ATOM 0 H GLY A 81 -9.634 -3.000 5.302 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.301 -0.721 4.687 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.871 -0.708 3.674 1.00 0.00 H new ATOM 1355 N PHE A 82 -11.986 -2.061 2.478 1.00 0.00 N ATOM 1356 CA PHE A 82 -12.621 -3.076 1.586 1.00 0.00 C ATOM 1357 C PHE A 82 -12.841 -2.462 0.205 1.00 0.00 C ATOM 1358 O PHE A 82 -12.859 -1.256 0.050 1.00 0.00 O ATOM 1359 CB PHE A 82 -13.968 -3.513 2.176 1.00 0.00 C ATOM 1360 CG PHE A 82 -14.928 -2.347 2.198 1.00 0.00 C ATOM 1361 CD1 PHE A 82 -15.748 -2.093 1.092 1.00 0.00 C ATOM 1362 CD2 PHE A 82 -15.009 -1.528 3.331 1.00 0.00 C ATOM 1363 CE1 PHE A 82 -16.649 -1.022 1.119 1.00 0.00 C ATOM 1364 CE2 PHE A 82 -15.909 -0.455 3.357 1.00 0.00 C ATOM 1365 CZ PHE A 82 -16.730 -0.203 2.250 1.00 0.00 C ATOM 0 H PHE A 82 -12.273 -1.096 2.311 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.970 -3.946 1.501 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -14.386 -4.327 1.584 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.824 -3.895 3.187 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -15.685 -2.724 0.218 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -14.377 -1.724 4.185 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -17.282 -0.828 0.266 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -15.970 0.178 4.230 1.00 0.00 H new ATOM 0 HZ PHE A 82 -17.425 0.623 2.270 1.00 0.00 H new ATOM 1375 N ILE A 83 -13.001 -3.284 -0.802 1.00 0.00 N ATOM 1376 CA ILE A 83 -13.214 -2.759 -2.184 1.00 0.00 C ATOM 1377 C ILE A 83 -14.688 -2.906 -2.558 1.00 0.00 C ATOM 1378 O ILE A 83 -15.274 -3.968 -2.431 1.00 0.00 O ATOM 1379 CB ILE A 83 -12.353 -3.551 -3.162 1.00 0.00 C ATOM 1380 CG1 ILE A 83 -10.884 -3.409 -2.758 1.00 0.00 C ATOM 1381 CG2 ILE A 83 -12.550 -2.996 -4.573 1.00 0.00 C ATOM 1382 CD1 ILE A 83 -10.028 -4.400 -3.547 1.00 0.00 C ATOM 0 H ILE A 83 -12.993 -4.301 -0.725 1.00 0.00 H new ATOM 0 HA ILE A 83 -12.934 -1.707 -2.227 1.00 0.00 H new ATOM 0 HB ILE A 83 -12.640 -4.602 -3.143 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -10.543 -2.391 -2.946 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.773 -3.590 -1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.936 -3.560 -5.275 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -13.599 -3.085 -4.856 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -12.256 -1.947 -4.596 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -8.984 -4.293 -3.254 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -10.361 -5.416 -3.337 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -10.128 -4.198 -4.614 1.00 0.00 H new ATOM 1394 N ASP A 84 -15.292 -1.835 -2.998 1.00 0.00 N ATOM 1395 CA ASP A 84 -16.736 -1.866 -3.368 1.00 0.00 C ATOM 1396 C ASP A 84 -16.895 -2.139 -4.866 1.00 0.00 C ATOM 1397 O ASP A 84 -15.943 -2.423 -5.566 1.00 0.00 O ATOM 1398 CB ASP A 84 -17.355 -0.506 -3.039 1.00 0.00 C ATOM 1399 CG ASP A 84 -18.878 -0.604 -3.105 1.00 0.00 C ATOM 1400 OD1 ASP A 84 -19.381 -1.714 -3.147 1.00 0.00 O ATOM 1401 OD2 ASP A 84 -19.518 0.436 -3.109 1.00 0.00 O ATOM 0 H ASP A 84 -14.840 -0.929 -3.118 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.234 -2.658 -2.810 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -17.044 -0.185 -2.045 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -16.999 0.246 -3.743 1.00 0.00 H new ATOM 1406 N GLU A 85 -18.099 -2.055 -5.359 1.00 0.00 N ATOM 1407 CA GLU A 85 -18.347 -2.308 -6.806 1.00 0.00 C ATOM 1408 C GLU A 85 -17.635 -1.248 -7.656 1.00 0.00 C ATOM 1409 O GLU A 85 -17.188 -1.518 -8.754 1.00 0.00 O ATOM 1410 CB GLU A 85 -19.855 -2.244 -7.062 1.00 0.00 C ATOM 1411 CG GLU A 85 -20.192 -2.898 -8.405 1.00 0.00 C ATOM 1412 CD GLU A 85 -19.675 -2.015 -9.543 1.00 0.00 C ATOM 1413 OE1 GLU A 85 -19.671 -0.808 -9.373 1.00 0.00 O ATOM 1414 OE2 GLU A 85 -19.291 -2.563 -10.563 1.00 0.00 O ATOM 0 H GLU A 85 -18.930 -1.820 -4.816 1.00 0.00 H new ATOM 0 HA GLU A 85 -17.961 -3.290 -7.078 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -20.389 -2.751 -6.258 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -20.188 -1.206 -7.061 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -19.740 -3.888 -8.464 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -21.270 -3.034 -8.496 1.00 0.00 H new ATOM 1421 N ASN A 86 -17.530 -0.043 -7.168 1.00 0.00 N ATOM 1422 CA ASN A 86 -16.849 1.021 -7.962 1.00 0.00 C ATOM 1423 C ASN A 86 -15.336 0.889 -7.774 1.00 0.00 C ATOM 1424 O ASN A 86 -14.604 1.851 -7.883 1.00 0.00 O ATOM 1425 CB ASN A 86 -17.317 2.398 -7.482 1.00 0.00 C ATOM 1426 CG ASN A 86 -18.763 2.631 -7.932 1.00 0.00 C ATOM 1427 OD1 ASN A 86 -19.248 1.966 -8.825 1.00 0.00 O ATOM 1428 ND2 ASN A 86 -19.477 3.553 -7.345 1.00 0.00 N ATOM 0 H ASN A 86 -17.884 0.251 -6.258 1.00 0.00 H new ATOM 0 HA ASN A 86 -17.096 0.912 -9.018 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -17.248 2.459 -6.396 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -16.669 3.176 -7.887 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -20.441 3.714 -7.637 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -19.071 4.112 -6.595 1.00 0.00 H new ATOM 1435 N HIS A 87 -14.870 -0.301 -7.481 1.00 0.00 N ATOM 1436 CA HIS A 87 -13.404 -0.528 -7.270 1.00 0.00 C ATOM 1437 C HIS A 87 -12.834 0.547 -6.335 1.00 0.00 C ATOM 1438 O HIS A 87 -11.635 0.664 -6.166 1.00 0.00 O ATOM 1439 CB HIS A 87 -12.664 -0.508 -8.620 1.00 0.00 C ATOM 1440 CG HIS A 87 -12.592 0.894 -9.165 1.00 0.00 C ATOM 1441 ND1 HIS A 87 -13.498 1.369 -10.100 1.00 0.00 N ATOM 1442 CD2 HIS A 87 -11.732 1.934 -8.915 1.00 0.00 C ATOM 1443 CE1 HIS A 87 -13.164 2.643 -10.378 1.00 0.00 C ATOM 1444 NE2 HIS A 87 -12.094 3.037 -9.681 1.00 0.00 N ATOM 0 H HIS A 87 -15.449 -1.134 -7.378 1.00 0.00 H new ATOM 0 HA HIS A 87 -13.261 -1.505 -6.809 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -11.658 -0.907 -8.495 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -13.177 -1.155 -9.332 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -10.900 1.901 -8.227 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -13.696 3.270 -11.079 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -11.640 3.950 -9.706 1.00 0.00 H new ATOM 1452 N ASP A 88 -13.677 1.328 -5.723 1.00 0.00 N ATOM 1453 CA ASP A 88 -13.175 2.384 -4.802 1.00 0.00 C ATOM 1454 C ASP A 88 -12.741 1.751 -3.480 1.00 0.00 C ATOM 1455 O ASP A 88 -13.356 0.823 -2.991 1.00 0.00 O ATOM 1456 CB ASP A 88 -14.284 3.401 -4.547 1.00 0.00 C ATOM 1457 CG ASP A 88 -14.478 4.260 -5.799 1.00 0.00 C ATOM 1458 OD1 ASP A 88 -13.615 4.220 -6.663 1.00 0.00 O ATOM 1459 OD2 ASP A 88 -15.482 4.945 -5.874 1.00 0.00 O ATOM 0 H ASP A 88 -14.691 1.281 -5.820 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.320 2.885 -5.255 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.213 2.889 -4.296 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.027 4.031 -3.696 1.00 0.00 H new ATOM 1464 N MET A 89 -11.678 2.243 -2.899 1.00 0.00 N ATOM 1465 CA MET A 89 -11.189 1.672 -1.612 1.00 0.00 C ATOM 1466 C MET A 89 -11.679 2.528 -0.442 1.00 0.00 C ATOM 1467 O MET A 89 -11.246 3.647 -0.248 1.00 0.00 O ATOM 1468 CB MET A 89 -9.664 1.653 -1.635 1.00 0.00 C ATOM 1469 CG MET A 89 -9.200 0.666 -2.705 1.00 0.00 C ATOM 1470 SD MET A 89 -7.394 0.561 -2.686 1.00 0.00 S ATOM 1471 CE MET A 89 -7.222 -0.247 -1.073 1.00 0.00 C ATOM 0 H MET A 89 -11.126 3.019 -3.263 1.00 0.00 H new ATOM 0 HA MET A 89 -11.572 0.659 -1.488 1.00 0.00 H new ATOM 0 HB2 MET A 89 -9.277 2.650 -1.848 1.00 0.00 H new ATOM 0 HB3 MET A 89 -9.275 1.362 -0.659 1.00 0.00 H new ATOM 0 HG2 MET A 89 -9.634 -0.317 -2.521 1.00 0.00 H new ATOM 0 HG3 MET A 89 -9.546 0.989 -3.687 1.00 0.00 H new ATOM 0 HE1 MET A 89 -6.461 -1.025 -1.135 1.00 0.00 H new ATOM 0 HE2 MET A 89 -6.928 0.490 -0.326 1.00 0.00 H new ATOM 0 HE3 MET A 89 -8.174 -0.693 -0.786 1.00 0.00 H new ATOM 1481 N ASP A 90 -12.584 2.001 0.342 1.00 0.00 N ATOM 1482 CA ASP A 90 -13.120 2.759 1.512 1.00 0.00 C ATOM 1483 C ASP A 90 -12.447 2.251 2.789 1.00 0.00 C ATOM 1484 O ASP A 90 -12.621 1.112 3.183 1.00 0.00 O ATOM 1485 CB ASP A 90 -14.628 2.537 1.599 1.00 0.00 C ATOM 1486 CG ASP A 90 -15.237 3.534 2.586 1.00 0.00 C ATOM 1487 OD1 ASP A 90 -14.498 4.057 3.402 1.00 0.00 O ATOM 1488 OD2 ASP A 90 -16.434 3.757 2.507 1.00 0.00 O ATOM 0 H ASP A 90 -12.978 1.068 0.220 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.916 3.823 1.395 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -15.081 2.660 0.615 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -14.838 1.517 1.921 1.00 0.00 H new ATOM 1493 N PHE A 91 -11.666 3.078 3.430 1.00 0.00 N ATOM 1494 CA PHE A 91 -10.972 2.638 4.672 1.00 0.00 C ATOM 1495 C PHE A 91 -11.919 2.731 5.871 1.00 0.00 C ATOM 1496 O PHE A 91 -12.684 3.666 6.003 1.00 0.00 O ATOM 1497 CB PHE A 91 -9.759 3.535 4.917 1.00 0.00 C ATOM 1498 CG PHE A 91 -8.855 3.497 3.708 1.00 0.00 C ATOM 1499 CD1 PHE A 91 -8.068 2.366 3.460 1.00 0.00 C ATOM 1500 CD2 PHE A 91 -8.809 4.588 2.830 1.00 0.00 C ATOM 1501 CE1 PHE A 91 -7.233 2.325 2.338 1.00 0.00 C ATOM 1502 CE2 PHE A 91 -7.974 4.546 1.707 1.00 0.00 C ATOM 1503 CZ PHE A 91 -7.185 3.414 1.461 1.00 0.00 C ATOM 0 H PHE A 91 -11.479 4.040 3.146 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.653 1.603 4.552 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.082 4.558 5.111 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.217 3.199 5.801 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.105 1.524 4.136 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.417 5.460 3.019 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.625 1.452 2.149 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.938 5.386 1.030 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.540 3.382 0.595 1.00 0.00 H new ATOM 1513 N LEU A 92 -11.851 1.770 6.754 1.00 0.00 N ATOM 1514 CA LEU A 92 -12.715 1.779 7.971 1.00 0.00 C ATOM 1515 C LEU A 92 -11.840 2.116 9.179 1.00 0.00 C ATOM 1516 O LEU A 92 -12.296 2.656 10.168 1.00 0.00 O ATOM 1517 CB LEU A 92 -13.330 0.389 8.152 1.00 0.00 C ATOM 1518 CG LEU A 92 -14.278 0.077 6.984 1.00 0.00 C ATOM 1519 CD1 LEU A 92 -14.769 -1.372 7.106 1.00 0.00 C ATOM 1520 CD2 LEU A 92 -15.483 1.040 7.002 1.00 0.00 C ATOM 0 H LEU A 92 -11.225 0.968 6.682 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.512 2.516 7.872 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -12.542 -0.362 8.202 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.875 0.343 9.095 1.00 0.00 H new ATOM 0 HG LEU A 92 -13.743 0.206 6.043 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -15.442 -1.599 6.279 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -13.915 -2.049 7.075 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -15.298 -1.498 8.050 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -16.147 0.808 6.169 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -16.025 0.927 7.941 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -15.130 2.067 6.909 1.00 0.00 H new ATOM 1532 N TYR A 93 -10.574 1.818 9.097 1.00 0.00 N ATOM 1533 CA TYR A 93 -9.659 2.134 10.226 1.00 0.00 C ATOM 1534 C TYR A 93 -8.233 2.236 9.691 1.00 0.00 C ATOM 1535 O TYR A 93 -7.699 1.283 9.162 1.00 0.00 O ATOM 1536 CB TYR A 93 -9.738 1.023 11.276 1.00 0.00 C ATOM 1537 CG TYR A 93 -8.876 1.388 12.462 1.00 0.00 C ATOM 1538 CD1 TYR A 93 -9.323 2.346 13.379 1.00 0.00 C ATOM 1539 CD2 TYR A 93 -7.633 0.768 12.648 1.00 0.00 C ATOM 1540 CE1 TYR A 93 -8.528 2.686 14.480 1.00 0.00 C ATOM 1541 CE2 TYR A 93 -6.840 1.108 13.750 1.00 0.00 C ATOM 1542 CZ TYR A 93 -7.287 2.067 14.666 1.00 0.00 C ATOM 1543 OH TYR A 93 -6.506 2.401 15.753 1.00 0.00 O ATOM 0 H TYR A 93 -10.133 1.368 8.295 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.949 3.079 10.685 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.771 0.881 11.594 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.404 0.078 10.847 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.281 2.823 13.237 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.287 0.028 11.941 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -8.873 3.427 15.186 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.882 0.630 13.894 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.677 1.879 15.733 1.00 0.00 H new ATOM 1553 N LEU A 94 -7.613 3.384 9.820 1.00 0.00 N ATOM 1554 CA LEU A 94 -6.211 3.560 9.316 1.00 0.00 C ATOM 1555 C LEU A 94 -5.279 3.873 10.481 1.00 0.00 C ATOM 1556 O LEU A 94 -5.508 4.795 11.240 1.00 0.00 O ATOM 1557 CB LEU A 94 -6.184 4.715 8.308 1.00 0.00 C ATOM 1558 CG LEU A 94 -4.739 5.025 7.881 1.00 0.00 C ATOM 1559 CD1 LEU A 94 -4.052 3.755 7.362 1.00 0.00 C ATOM 1560 CD2 LEU A 94 -4.760 6.080 6.768 1.00 0.00 C ATOM 0 H LEU A 94 -8.019 4.212 10.255 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.877 2.642 8.833 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.780 4.456 7.433 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.637 5.602 8.751 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.186 5.399 8.742 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.030 3.990 7.064 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.036 3.002 8.150 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.601 3.369 6.503 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.739 6.305 6.460 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.320 5.698 5.915 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.236 6.989 7.137 1.00 0.00 H new ATOM 1572 N HIS A 95 -4.215 3.120 10.621 1.00 0.00 N ATOM 1573 CA HIS A 95 -3.247 3.376 11.731 1.00 0.00 C ATOM 1574 C HIS A 95 -1.816 3.229 11.207 1.00 0.00 C ATOM 1575 O HIS A 95 -1.444 2.211 10.657 1.00 0.00 O ATOM 1576 CB HIS A 95 -3.495 2.374 12.854 1.00 0.00 C ATOM 1577 CG HIS A 95 -2.691 2.769 14.061 1.00 0.00 C ATOM 1578 ND1 HIS A 95 -1.306 2.816 14.042 1.00 0.00 N ATOM 1579 CD2 HIS A 95 -3.061 3.131 15.332 1.00 0.00 C ATOM 1580 CE1 HIS A 95 -0.896 3.196 15.266 1.00 0.00 C ATOM 1581 NE2 HIS A 95 -1.926 3.401 16.092 1.00 0.00 N ATOM 0 H HIS A 95 -3.976 2.337 10.012 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.383 4.388 12.113 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.556 2.345 13.103 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -3.217 1.371 12.530 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -0.706 2.602 13.245 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -4.078 3.197 15.689 1.00 0.00 H new ATOM 0 HE1 HIS A 95 0.140 3.320 15.547 1.00 0.00 H new ATOM 1589 N ASN A 96 -1.011 4.248 11.371 1.00 0.00 N ATOM 1590 CA ASN A 96 0.400 4.189 10.884 1.00 0.00 C ATOM 1591 C ASN A 96 1.316 3.699 12.010 1.00 0.00 C ATOM 1592 O ASN A 96 0.892 3.502 13.130 1.00 0.00 O ATOM 1593 CB ASN A 96 0.835 5.594 10.458 1.00 0.00 C ATOM 1594 CG ASN A 96 2.158 5.516 9.695 1.00 0.00 C ATOM 1595 OD1 ASN A 96 3.156 6.058 10.126 1.00 0.00 O ATOM 1596 ND2 ASN A 96 2.210 4.864 8.564 1.00 0.00 N ATOM 0 H ASN A 96 -1.273 5.124 11.824 1.00 0.00 H new ATOM 0 HA ASN A 96 0.467 3.502 10.040 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.068 6.047 9.830 1.00 0.00 H new ATOM 0 HB3 ASN A 96 0.947 6.232 11.335 1.00 0.00 H new ATOM 0 HD21 ASN A 96 3.087 4.811 8.046 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.374 4.408 8.199 1.00 0.00 H new ATOM 1603 N THR A 97 2.574 3.502 11.720 1.00 0.00 N ATOM 1604 CA THR A 97 3.523 3.030 12.771 1.00 0.00 C ATOM 1605 C THR A 97 3.682 4.117 13.837 1.00 0.00 C ATOM 1606 O THR A 97 3.882 3.838 15.003 1.00 0.00 O ATOM 1607 CB THR A 97 4.881 2.750 12.128 1.00 0.00 C ATOM 1608 OG1 THR A 97 5.334 3.923 11.469 1.00 0.00 O ATOM 1609 CG2 THR A 97 4.742 1.615 11.114 1.00 0.00 C ATOM 0 H THR A 97 2.987 3.648 10.799 1.00 0.00 H new ATOM 0 HA THR A 97 3.138 2.121 13.233 1.00 0.00 H new ATOM 0 HB THR A 97 5.598 2.460 12.896 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.206 3.750 11.056 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.711 1.416 10.656 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.388 0.717 11.620 1.00 0.00 H new ATOM 0 HG23 THR A 97 4.028 1.902 10.342 1.00 0.00 H new ATOM 1617 N VAL A 98 3.606 5.359 13.441 1.00 0.00 N ATOM 1618 CA VAL A 98 3.761 6.474 14.421 1.00 0.00 C ATOM 1619 C VAL A 98 2.388 6.932 14.896 1.00 0.00 C ATOM 1620 O VAL A 98 1.953 6.578 15.973 1.00 0.00 O ATOM 1621 CB VAL A 98 4.470 7.640 13.739 1.00 0.00 C ATOM 1622 CG1 VAL A 98 4.505 8.853 14.674 1.00 0.00 C ATOM 1623 CG2 VAL A 98 5.898 7.226 13.386 1.00 0.00 C ATOM 0 H VAL A 98 3.443 5.651 12.477 1.00 0.00 H new ATOM 0 HA VAL A 98 4.344 6.131 15.276 1.00 0.00 H new ATOM 0 HB VAL A 98 3.929 7.907 12.831 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.013 9.680 14.178 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.486 9.150 14.923 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.041 8.593 15.587 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.408 8.057 12.898 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.434 6.955 14.296 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.872 6.370 12.712 1.00 0.00 H new ATOM 1633 N MET A 99 1.703 7.723 14.104 1.00 0.00 N ATOM 1634 CA MET A 99 0.348 8.215 14.514 1.00 0.00 C ATOM 1635 C MET A 99 -0.671 7.941 13.394 1.00 0.00 C ATOM 1636 O MET A 99 -0.334 7.971 12.225 1.00 0.00 O ATOM 1637 CB MET A 99 0.418 9.722 14.784 1.00 0.00 C ATOM 1638 CG MET A 99 0.873 10.468 13.526 1.00 0.00 C ATOM 1639 SD MET A 99 -0.552 10.746 12.447 1.00 0.00 S ATOM 1640 CE MET A 99 0.010 12.308 11.725 1.00 0.00 C ATOM 0 H MET A 99 2.023 8.049 13.192 1.00 0.00 H new ATOM 0 HA MET A 99 0.033 7.693 15.417 1.00 0.00 H new ATOM 0 HB2 MET A 99 -0.560 10.088 15.098 1.00 0.00 H new ATOM 0 HB3 MET A 99 1.110 9.920 15.602 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.328 11.420 13.799 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.633 9.890 13.001 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.733 12.669 11.014 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.145 13.047 12.515 1.00 0.00 H new ATOM 0 HE3 MET A 99 0.958 12.151 11.210 1.00 0.00 H new ATOM 1650 N PRO A 100 -1.914 7.674 13.744 1.00 0.00 N ATOM 1651 CA PRO A 100 -2.994 7.397 12.744 1.00 0.00 C ATOM 1652 C PRO A 100 -3.360 8.637 11.912 1.00 0.00 C ATOM 1653 O PRO A 100 -3.267 9.757 12.373 1.00 0.00 O ATOM 1654 CB PRO A 100 -4.180 6.934 13.610 1.00 0.00 C ATOM 1655 CG PRO A 100 -3.947 7.553 14.947 1.00 0.00 C ATOM 1656 CD PRO A 100 -2.431 7.610 15.123 1.00 0.00 C ATOM 0 HA PRO A 100 -2.686 6.657 12.006 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.130 7.259 13.185 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.217 5.847 13.680 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -4.384 8.550 14.997 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -4.410 6.962 15.737 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -2.129 8.482 15.703 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -2.057 6.732 15.649 1.00 0.00 H new ATOM 1664 N LEU A 101 -3.769 8.437 10.682 1.00 0.00 N ATOM 1665 CA LEU A 101 -4.133 9.589 9.801 1.00 0.00 C ATOM 1666 C LEU A 101 -5.656 9.734 9.715 1.00 0.00 C ATOM 1667 O LEU A 101 -6.228 10.683 10.213 1.00 0.00 O ATOM 1668 CB LEU A 101 -3.581 9.327 8.398 1.00 0.00 C ATOM 1669 CG LEU A 101 -2.052 9.187 8.448 1.00 0.00 C ATOM 1670 CD1 LEU A 101 -1.536 8.778 7.063 1.00 0.00 C ATOM 1671 CD2 LEU A 101 -1.407 10.522 8.858 1.00 0.00 C ATOM 0 H LEU A 101 -3.866 7.519 10.249 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.712 10.505 10.216 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.024 8.419 7.989 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.857 10.144 7.732 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.789 8.426 9.183 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.451 8.678 7.094 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.981 7.825 6.776 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.809 9.540 6.333 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.323 10.408 8.889 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.670 11.291 8.132 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.770 10.814 9.844 1.00 0.00 H new ATOM 1683 N LEU A 102 -6.316 8.819 9.057 1.00 0.00 N ATOM 1684 CA LEU A 102 -7.800 8.932 8.908 1.00 0.00 C ATOM 1685 C LEU A 102 -8.523 8.306 10.109 1.00 0.00 C ATOM 1686 O LEU A 102 -8.789 8.961 11.098 1.00 0.00 O ATOM 1687 CB LEU A 102 -8.224 8.211 7.621 1.00 0.00 C ATOM 1688 CG LEU A 102 -9.739 8.366 7.393 1.00 0.00 C ATOM 1689 CD1 LEU A 102 -10.091 9.839 7.121 1.00 0.00 C ATOM 1690 CD2 LEU A 102 -10.158 7.500 6.197 1.00 0.00 C ATOM 0 H LEU A 102 -5.896 8.000 8.617 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.071 9.987 8.860 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.678 8.620 6.771 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.966 7.154 7.687 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.272 8.042 8.287 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.165 9.933 6.962 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.796 10.447 7.976 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.561 10.182 6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.230 7.605 6.030 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.618 7.823 5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.924 6.456 6.404 1.00 0.00 H new ATOM 1702 N ASP A 103 -8.867 7.043 10.005 1.00 0.00 N ATOM 1703 CA ASP A 103 -9.605 6.337 11.100 1.00 0.00 C ATOM 1704 C ASP A 103 -10.664 7.263 11.715 1.00 0.00 C ATOM 1705 O ASP A 103 -10.376 8.058 12.590 1.00 0.00 O ATOM 1706 CB ASP A 103 -8.628 5.858 12.183 1.00 0.00 C ATOM 1707 CG ASP A 103 -7.551 6.912 12.420 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -6.738 7.107 11.532 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -7.550 7.501 13.488 1.00 0.00 O ATOM 0 H ASP A 103 -8.663 6.462 9.192 1.00 0.00 H new ATOM 0 HA ASP A 103 -10.106 5.468 10.673 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.167 5.663 13.110 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.167 4.918 11.878 1.00 0.00 H new ATOM 1714 N GLN A 104 -11.891 7.160 11.265 1.00 0.00 N ATOM 1715 CA GLN A 104 -12.978 8.024 11.821 1.00 0.00 C ATOM 1716 C GLN A 104 -13.788 7.238 12.857 1.00 0.00 C ATOM 1717 O GLN A 104 -14.430 6.250 12.552 1.00 0.00 O ATOM 1718 CB GLN A 104 -13.898 8.480 10.684 1.00 0.00 C ATOM 1719 CG GLN A 104 -13.170 9.528 9.837 1.00 0.00 C ATOM 1720 CD GLN A 104 -14.041 9.925 8.644 1.00 0.00 C ATOM 1721 OE1 GLN A 104 -14.607 9.080 7.982 1.00 0.00 O ATOM 1722 NE2 GLN A 104 -14.169 11.189 8.335 1.00 0.00 N ATOM 0 H GLN A 104 -12.187 6.513 10.534 1.00 0.00 H new ATOM 0 HA GLN A 104 -12.535 8.896 12.302 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -14.181 7.628 10.066 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.818 8.899 11.091 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -12.945 10.406 10.443 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -12.218 9.129 9.487 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -13.694 11.900 8.890 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -14.744 11.464 7.539 1.00 0.00 H new ATOM 1731 N ARG A 105 -13.757 7.679 14.083 1.00 0.00 N ATOM 1732 CA ARG A 105 -14.517 6.985 15.161 1.00 0.00 C ATOM 1733 C ARG A 105 -16.014 7.067 14.855 1.00 0.00 C ATOM 1734 O ARG A 105 -16.770 6.155 15.128 1.00 0.00 O ATOM 1735 CB ARG A 105 -14.240 7.683 16.493 1.00 0.00 C ATOM 1736 CG ARG A 105 -12.804 7.397 16.946 1.00 0.00 C ATOM 1737 CD ARG A 105 -12.541 8.118 18.271 1.00 0.00 C ATOM 1738 NE ARG A 105 -11.154 7.819 18.737 1.00 0.00 N ATOM 1739 CZ ARG A 105 -10.149 8.558 18.350 1.00 0.00 C ATOM 1740 NH1 ARG A 105 -10.344 9.565 17.545 1.00 0.00 N ATOM 1741 NH2 ARG A 105 -8.944 8.287 18.775 1.00 0.00 N ATOM 0 H ARG A 105 -13.232 8.499 14.388 1.00 0.00 H new ATOM 0 HA ARG A 105 -14.210 5.941 15.217 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -14.390 8.758 16.388 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -14.945 7.335 17.249 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.655 6.324 17.066 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -12.097 7.734 16.188 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.669 9.193 18.143 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.264 7.798 19.021 1.00 0.00 H new ATOM 0 HE ARG A 105 -10.990 7.031 19.363 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -11.285 9.779 17.214 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -9.556 10.139 17.246 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -8.791 7.501 19.407 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -8.156 8.861 18.475 1.00 0.00 H new ATOM 1755 N TYR A 106 -16.447 8.164 14.302 1.00 0.00 N ATOM 1756 CA TYR A 106 -17.892 8.323 13.985 1.00 0.00 C ATOM 1757 C TYR A 106 -18.307 7.243 12.987 1.00 0.00 C ATOM 1758 O TYR A 106 -19.374 6.670 13.081 1.00 0.00 O ATOM 1759 CB TYR A 106 -18.110 9.698 13.360 1.00 0.00 C ATOM 1760 CG TYR A 106 -17.581 10.762 14.291 1.00 0.00 C ATOM 1761 CD1 TYR A 106 -18.372 11.231 15.345 1.00 0.00 C ATOM 1762 CD2 TYR A 106 -16.293 11.278 14.097 1.00 0.00 C ATOM 1763 CE1 TYR A 106 -17.876 12.216 16.206 1.00 0.00 C ATOM 1764 CE2 TYR A 106 -15.797 12.263 14.959 1.00 0.00 C ATOM 1765 CZ TYR A 106 -16.589 12.732 16.014 1.00 0.00 C ATOM 1766 OH TYR A 106 -16.100 13.703 16.864 1.00 0.00 O ATOM 0 H TYR A 106 -15.860 8.961 14.055 1.00 0.00 H new ATOM 0 HA TYR A 106 -18.487 8.230 14.893 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -17.602 9.757 12.397 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.171 9.860 13.171 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -19.365 10.833 15.494 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -15.683 10.916 13.283 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -18.487 12.579 17.020 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -14.804 12.661 14.810 1.00 0.00 H new ATOM 0 HH TYR A 106 -15.192 13.950 16.591 1.00 0.00 H new ATOM 1776 N LEU A 107 -17.473 6.966 12.029 1.00 0.00 N ATOM 1777 CA LEU A 107 -17.819 5.926 11.021 1.00 0.00 C ATOM 1778 C LEU A 107 -17.961 4.573 11.721 1.00 0.00 C ATOM 1779 O LEU A 107 -18.844 3.795 11.419 1.00 0.00 O ATOM 1780 CB LEU A 107 -16.706 5.848 9.968 1.00 0.00 C ATOM 1781 CG LEU A 107 -17.031 4.764 8.924 1.00 0.00 C ATOM 1782 CD1 LEU A 107 -18.365 5.077 8.226 1.00 0.00 C ATOM 1783 CD2 LEU A 107 -15.901 4.709 7.886 1.00 0.00 C ATOM 0 H LEU A 107 -16.566 7.414 11.898 1.00 0.00 H new ATOM 0 HA LEU A 107 -18.759 6.183 10.534 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -16.594 6.814 9.476 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -15.755 5.624 10.451 1.00 0.00 H new ATOM 0 HG LEU A 107 -17.119 3.799 9.424 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -18.582 4.302 7.491 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -19.164 5.108 8.966 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -18.296 6.043 7.726 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -16.126 3.943 7.144 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -15.812 5.677 7.393 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -14.962 4.468 8.383 1.00 0.00 H new ATOM 1795 N LEU A 108 -17.084 4.276 12.639 1.00 0.00 N ATOM 1796 CA LEU A 108 -17.156 2.961 13.341 1.00 0.00 C ATOM 1797 C LEU A 108 -18.173 3.042 14.480 1.00 0.00 C ATOM 1798 O LEU A 108 -18.500 2.049 15.099 1.00 0.00 O ATOM 1799 CB LEU A 108 -15.775 2.623 13.904 1.00 0.00 C ATOM 1800 CG LEU A 108 -14.747 2.589 12.764 1.00 0.00 C ATOM 1801 CD1 LEU A 108 -13.353 2.319 13.342 1.00 0.00 C ATOM 1802 CD2 LEU A 108 -15.111 1.487 11.751 1.00 0.00 C ATOM 0 H LEU A 108 -16.321 4.885 12.934 1.00 0.00 H new ATOM 0 HA LEU A 108 -17.467 2.185 12.642 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -15.483 3.364 14.648 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -15.804 1.658 14.410 1.00 0.00 H new ATOM 0 HG LEU A 108 -14.751 3.552 12.253 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.622 2.295 12.534 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -13.091 3.110 14.044 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -13.353 1.360 13.860 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -14.374 1.473 10.948 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -15.118 0.519 12.253 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -16.098 1.687 11.335 1.00 0.00 H new ATOM 1814 N THR A 109 -18.687 4.215 14.747 1.00 0.00 N ATOM 1815 CA THR A 109 -19.703 4.379 15.832 1.00 0.00 C ATOM 1816 C THR A 109 -21.046 4.722 15.191 1.00 0.00 C ATOM 1817 O THR A 109 -22.071 4.734 15.843 1.00 0.00 O ATOM 1818 CB THR A 109 -19.279 5.519 16.762 1.00 0.00 C ATOM 1819 OG1 THR A 109 -18.005 5.225 17.319 1.00 0.00 O ATOM 1820 CG2 THR A 109 -20.307 5.673 17.886 1.00 0.00 C ATOM 0 H THR A 109 -18.444 5.075 14.255 1.00 0.00 H new ATOM 0 HA THR A 109 -19.785 3.458 16.409 1.00 0.00 H new ATOM 0 HB THR A 109 -19.222 6.448 16.195 1.00 0.00 H new ATOM 0 HG1 THR A 109 -17.302 5.524 16.705 1.00 0.00 H new ATOM 0 HG21 THR A 109 -20.004 6.485 18.547 1.00 0.00 H new ATOM 0 HG22 THR A 109 -21.283 5.899 17.458 1.00 0.00 H new ATOM 0 HG23 THR A 109 -20.366 4.745 18.454 1.00 0.00 H new ATOM 1828 N GLY A 110 -21.038 5.008 13.914 1.00 0.00 N ATOM 1829 CA GLY A 110 -22.302 5.368 13.205 1.00 0.00 C ATOM 1830 C GLY A 110 -23.449 4.455 13.657 1.00 0.00 C ATOM 1831 O GLY A 110 -23.601 3.349 13.179 1.00 0.00 O ATOM 0 H GLY A 110 -20.203 5.007 13.328 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -22.556 6.409 13.407 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -22.160 5.278 12.128 1.00 0.00 H new ATOM 1835 N GLY A 111 -24.262 4.915 14.569 1.00 0.00 N ATOM 1836 CA GLY A 111 -25.399 4.072 15.034 1.00 0.00 C ATOM 1837 C GLY A 111 -25.970 4.628 16.341 1.00 0.00 C ATOM 1838 O GLY A 111 -25.461 5.578 16.903 1.00 0.00 O ATOM 0 H GLY A 111 -24.189 5.832 15.009 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -26.177 4.045 14.271 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -25.063 3.046 15.183 1.00 0.00 H new ATOM 1842 N GLN A 112 -27.032 4.037 16.819 1.00 0.00 N ATOM 1843 CA GLN A 112 -27.666 4.511 18.085 1.00 0.00 C ATOM 1844 C GLN A 112 -27.752 6.041 18.094 1.00 0.00 C ATOM 1845 O GLN A 112 -27.092 6.709 18.866 1.00 0.00 O ATOM 1846 CB GLN A 112 -26.859 4.018 19.290 1.00 0.00 C ATOM 1847 CG GLN A 112 -27.001 2.497 19.394 1.00 0.00 C ATOM 1848 CD GLN A 112 -26.171 1.977 20.570 1.00 0.00 C ATOM 1849 OE1 GLN A 112 -25.580 2.746 21.299 1.00 0.00 O ATOM 1850 NE2 GLN A 112 -26.106 0.691 20.788 1.00 0.00 N ATOM 0 H GLN A 112 -27.492 3.238 16.383 1.00 0.00 H new ATOM 0 HA GLN A 112 -28.676 4.106 18.147 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -25.810 4.292 19.178 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -27.217 4.493 20.203 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -28.049 2.229 19.530 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -26.670 2.028 18.468 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -26.603 0.044 20.175 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -25.559 0.333 21.571 1.00 0.00 H new ATOM 1859 N LEU A 113 -28.580 6.598 17.245 1.00 0.00 N ATOM 1860 CA LEU A 113 -28.736 8.084 17.199 1.00 0.00 C ATOM 1861 C LEU A 113 -29.916 8.482 18.096 1.00 0.00 C ATOM 1862 O LEU A 113 -30.276 9.637 18.200 1.00 0.00 O ATOM 1863 CB LEU A 113 -28.995 8.531 15.748 1.00 0.00 C ATOM 1864 CG LEU A 113 -29.781 7.456 14.987 1.00 0.00 C ATOM 1865 CD1 LEU A 113 -31.095 7.157 15.713 1.00 0.00 C ATOM 1866 CD2 LEU A 113 -30.092 7.966 13.577 1.00 0.00 C ATOM 0 H LEU A 113 -29.157 6.084 16.579 1.00 0.00 H new ATOM 0 HA LEU A 113 -27.827 8.569 17.556 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -29.552 9.468 15.744 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -28.047 8.721 15.245 1.00 0.00 H new ATOM 0 HG LEU A 113 -29.185 6.545 14.933 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -31.647 6.393 15.166 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -30.881 6.799 16.720 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -31.694 8.066 15.770 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -30.651 7.206 13.030 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -30.687 8.877 13.643 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -29.160 8.178 13.053 1.00 0.00 H new ATOM 1878 N GLU A 114 -30.524 7.521 18.737 1.00 0.00 N ATOM 1879 CA GLU A 114 -31.690 7.819 19.619 1.00 0.00 C ATOM 1880 C GLU A 114 -31.352 8.941 20.605 1.00 0.00 C ATOM 1881 O GLU A 114 -30.216 9.124 20.995 1.00 0.00 O ATOM 1882 CB GLU A 114 -32.075 6.561 20.400 1.00 0.00 C ATOM 1883 CG GLU A 114 -32.665 5.528 19.439 1.00 0.00 C ATOM 1884 CD GLU A 114 -32.971 4.234 20.197 1.00 0.00 C ATOM 1885 OE1 GLU A 114 -32.706 4.189 21.387 1.00 0.00 O ATOM 1886 OE2 GLU A 114 -33.468 3.310 19.574 1.00 0.00 O ATOM 0 H GLU A 114 -30.262 6.536 18.688 1.00 0.00 H new ATOM 0 HA GLU A 114 -32.523 8.140 18.994 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -31.200 6.149 20.902 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -32.800 6.808 21.175 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -33.575 5.918 18.984 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -31.964 5.329 18.628 1.00 0.00 H new ATOM 1893 N HIS A 115 -32.348 9.688 21.010 1.00 0.00 N ATOM 1894 CA HIS A 115 -32.131 10.806 21.977 1.00 0.00 C ATOM 1895 C HIS A 115 -31.149 11.822 21.395 1.00 0.00 C ATOM 1896 O HIS A 115 -30.256 11.481 20.642 1.00 0.00 O ATOM 1897 CB HIS A 115 -31.579 10.258 23.297 1.00 0.00 C ATOM 1898 CG HIS A 115 -31.592 11.348 24.331 1.00 0.00 C ATOM 1899 ND1 HIS A 115 -30.499 12.172 24.553 1.00 0.00 N ATOM 1900 CD2 HIS A 115 -32.558 11.762 25.215 1.00 0.00 C ATOM 1901 CE1 HIS A 115 -30.829 13.030 25.535 1.00 0.00 C ATOM 1902 NE2 HIS A 115 -32.074 12.824 25.975 1.00 0.00 N ATOM 0 H HIS A 115 -33.315 9.569 20.707 1.00 0.00 H new ATOM 0 HA HIS A 115 -33.086 11.297 22.162 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -32.181 9.414 23.634 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -30.564 9.888 23.154 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -33.543 11.330 25.307 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -30.168 13.792 25.921 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -32.564 13.335 26.709 1.00 0.00 H new ATOM 1910 N HIS A 116 -31.311 13.077 21.742 1.00 0.00 N ATOM 1911 CA HIS A 116 -30.398 14.139 21.218 1.00 0.00 C ATOM 1912 C HIS A 116 -29.922 15.021 22.372 1.00 0.00 C ATOM 1913 O HIS A 116 -30.652 15.300 23.303 1.00 0.00 O ATOM 1914 CB HIS A 116 -31.152 14.993 20.197 1.00 0.00 C ATOM 1915 CG HIS A 116 -31.541 14.136 19.024 1.00 0.00 C ATOM 1916 ND1 HIS A 116 -30.625 13.747 18.059 1.00 0.00 N ATOM 1917 CD2 HIS A 116 -32.739 13.579 18.650 1.00 0.00 C ATOM 1918 CE1 HIS A 116 -31.280 12.991 17.160 1.00 0.00 C ATOM 1919 NE2 HIS A 116 -32.571 12.856 17.472 1.00 0.00 N ATOM 0 H HIS A 116 -32.042 13.412 22.370 1.00 0.00 H new ATOM 0 HA HIS A 116 -29.535 13.676 20.741 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -32.040 15.428 20.655 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -30.526 15.821 19.865 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -33.670 13.685 19.188 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -30.818 12.547 16.291 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -33.282 12.335 16.958 1.00 0.00 H new ATOM 1927 N HIS A 117 -28.698 15.460 22.312 1.00 0.00 N ATOM 1928 CA HIS A 117 -28.152 16.326 23.392 1.00 0.00 C ATOM 1929 C HIS A 117 -28.921 17.646 23.433 1.00 0.00 C ATOM 1930 O HIS A 117 -29.343 18.098 24.480 1.00 0.00 O ATOM 1931 CB HIS A 117 -26.682 16.607 23.088 1.00 0.00 C ATOM 1932 CG HIS A 117 -26.102 17.477 24.164 1.00 0.00 C ATOM 1933 ND1 HIS A 117 -26.183 18.860 24.114 1.00 0.00 N ATOM 1934 CD2 HIS A 117 -25.431 17.182 25.324 1.00 0.00 C ATOM 1935 CE1 HIS A 117 -25.578 19.341 25.214 1.00 0.00 C ATOM 1936 NE2 HIS A 117 -25.101 18.361 25.986 1.00 0.00 N ATOM 0 H HIS A 117 -28.046 15.254 21.555 1.00 0.00 H new ATOM 0 HA HIS A 117 -28.251 15.826 24.356 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -26.128 15.670 23.026 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -26.588 17.098 22.119 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -25.195 16.187 25.670 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -25.489 20.392 25.445 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -24.602 18.456 26.871 1.00 0.00 H new ATOM 1944 N HIS A 118 -29.112 18.264 22.303 1.00 0.00 N ATOM 1945 CA HIS A 118 -29.860 19.553 22.272 1.00 0.00 C ATOM 1946 C HIS A 118 -30.067 19.980 20.820 1.00 0.00 C ATOM 1947 O HIS A 118 -29.271 19.669 19.956 1.00 0.00 O ATOM 1948 CB HIS A 118 -29.071 20.639 23.014 1.00 0.00 C ATOM 1949 CG HIS A 118 -29.815 21.942 22.921 1.00 0.00 C ATOM 1950 ND1 HIS A 118 -30.953 22.396 23.541 1.00 0.00 N flip ATOM 1951 CD2 HIS A 118 -29.397 22.974 22.095 1.00 0.00 C flip ATOM 1952 CE1 HIS A 118 -31.238 23.689 23.109 1.00 0.00 C flip ATOM 1953 NE2 HIS A 118 -30.269 23.988 22.240 1.00 0.00 N flip ATOM 0 H HIS A 118 -28.782 17.933 21.396 1.00 0.00 H new ATOM 0 HA HIS A 118 -30.825 19.418 22.761 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -28.936 20.358 24.058 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -28.076 20.743 22.581 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -28.529 22.965 21.452 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -32.064 24.315 23.412 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -30.199 24.878 21.746 1.00 0.00 H new ATOM 1961 N HIS A 119 -31.134 20.686 20.542 1.00 0.00 N ATOM 1962 CA HIS A 119 -31.409 21.134 19.142 1.00 0.00 C ATOM 1963 C HIS A 119 -31.108 22.632 19.008 1.00 0.00 C ATOM 1964 O HIS A 119 -31.582 23.446 19.774 1.00 0.00 O ATOM 1965 CB HIS A 119 -32.879 20.867 18.819 1.00 0.00 C ATOM 1966 CG HIS A 119 -33.124 19.380 18.833 1.00 0.00 C ATOM 1967 ND1 HIS A 119 -32.663 18.548 17.825 1.00 0.00 N ATOM 1968 CD2 HIS A 119 -33.773 18.563 19.726 1.00 0.00 C ATOM 1969 CE1 HIS A 119 -33.036 17.292 18.132 1.00 0.00 C ATOM 1970 NE2 HIS A 119 -33.715 17.244 19.281 1.00 0.00 N ATOM 0 H HIS A 119 -31.831 20.973 21.229 1.00 0.00 H new ATOM 0 HA HIS A 119 -30.774 20.586 18.446 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -33.520 21.361 19.549 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -33.131 21.281 17.842 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -34.255 18.893 20.635 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -32.813 16.428 17.523 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -34.107 16.419 19.735 1.00 0.00 H new ATOM 1978 N HIS A 120 -30.315 22.993 18.036 1.00 0.00 N ATOM 1979 CA HIS A 120 -29.962 24.427 17.838 1.00 0.00 C ATOM 1980 C HIS A 120 -31.163 25.185 17.264 1.00 0.00 C ATOM 1981 O HIS A 120 -31.111 25.538 16.097 1.00 0.00 O ATOM 1982 CB HIS A 120 -28.793 24.512 16.859 1.00 0.00 C ATOM 1983 CG HIS A 120 -27.561 23.927 17.497 1.00 0.00 C ATOM 1984 ND1 HIS A 120 -27.216 22.590 17.360 1.00 0.00 N ATOM 1985 CD2 HIS A 120 -26.586 24.486 18.284 1.00 0.00 C ATOM 1986 CE1 HIS A 120 -26.077 22.393 18.049 1.00 0.00 C ATOM 1987 NE2 HIS A 120 -25.649 23.516 18.632 1.00 0.00 N ATOM 1988 OXT HIS A 120 -32.111 25.404 18.001 1.00 0.00 O ATOM 0 H HIS A 120 -29.893 22.350 17.365 1.00 0.00 H new ATOM 0 HA HIS A 120 -29.686 24.873 18.793 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -29.032 23.972 15.943 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -28.613 25.550 16.580 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -26.550 25.522 18.588 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -25.570 21.442 18.122 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -24.816 23.637 19.208 1.00 0.00 H new TER 1996 HIS A 120