USER MOD reduce.3.24.130724 H: found=0, std=0, add=1131, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1118 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 139 HIS :FLIP no HE2:sc= -0.789 F(o=-1.9,f=-0.79) USER MOD Set 1.2: A 141 HIS :FLIP no HD1:sc= 0 X(o=-0.79,f=-0.79) USER MOD Set 2.1: A 113 LYS NZ :NH3+ -137:sc= 0.998 (180deg=0) USER MOD Set 2.2: A 122 GLN : amide:sc= -0.977 K(o=0.021,f=-11!) USER MOD Set 3.1: A 94 SER OG : rot -131:sc= 0.17 USER MOD Set 3.2: A 97 HIS :FLIP no HD1:sc= -4.16 F(o=-5.2!,f=-4) USER MOD Set 4.1: A 52 LYS NZ :NH3+ -179:sc= 0.266 (180deg=0.0983) USER MOD Set 4.2: A 59 TYR OH : rot 180:sc= 0.0964 USER MOD Set 5.1: A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 40 GLN : amide:sc=-0.00714 X(o=-0.0071,f=-0.025) USER MOD Set 5.3: A 42 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 12 SER OG : rot 152:sc= -0.969 USER MOD Set 6.2: A 89 TYR OH : rot 15:sc= -1.44 USER MOD Set 7.1: A 2 ASN : amide:sc= 0.392 K(o=1.3,f=-3.6!) USER MOD Set 7.2: A 133 SER OG : rot 88:sc= 0.957 USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.0919) USER MOD Single : A 1 MET N :NH3+ 153:sc= 0.0366 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -156:sc= -0.0104 (180deg=-0.689) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -170:sc= -1.98 USER MOD Single : A 13 ASN : amide:sc= -4.73! C(o=-4.7!,f=-8.7!) USER MOD Single : A 16 HIS : no HD1:sc= -3.8! C(o=-3.8!,f=-4.5!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.623 X(o=-0.62,f=-0.89) USER MOD Single : A 38 GLN : amide:sc= -0.0217 X(o=-0.022,f=0) USER MOD Single : A 45 SER OG : rot 154:sc= -0.723 USER MOD Single : A 50 TYR OH : rot 17:sc= -0.375 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0272 USER MOD Single : A 54 THR OG1 : rot -86:sc= 0.705 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 58 GLN : amide:sc= -0.415 X(o=-0.42,f=-0.011) USER MOD Single : A 62 MET CE :methyl -173:sc= -2.7! (180deg=-2.79!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -112:sc= 0.266 USER MOD Single : A 72 GLN : amide:sc= -0.0374 X(o=-0.037,f=-0.23) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00914 USER MOD Single : A 75 ASN : amide:sc= -0.059 K(o=-0.059,f=-1.8!) USER MOD Single : A 78 CYS SG : rot -100:sc= -3.84! USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.00012) USER MOD Single : A 90 ASN : amide:sc= -0.9 K(o=-0.9,f=-4.1!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 144:sc= 0.037 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.338 X(o=-0.34,f=-0.46) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc=-0.000581 X(o=-0.00058,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot 32:sc= -0.559 USER MOD Single : A 118 THR OG1 : rot -73:sc= 0.437 USER MOD Single : A 119 HIS : no HD1:sc= -1.47 X(o=-1.5,f=-1.1) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0165) USER MOD Single : A 134 SER OG : rot 30:sc= 0.00461 USER MOD Single : A 138 HIS : no HD1:sc= -0.0117 X(o=-0.012,f=-0.24) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 142 HIS :FLIP no HE2:sc=-0.00662 F(o=-0.84,f=-0.0066) USER MOD Single : A 143 HIS : no HD1:sc= -0.679 X(o=-0.68,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.498 -13.667 -2.644 1.00 0.00 N ATOM 2 CA MET A 1 20.035 -13.614 -1.268 1.00 0.00 C ATOM 3 C MET A 1 18.507 -13.581 -1.205 1.00 0.00 C ATOM 4 O MET A 1 17.849 -13.232 -2.183 1.00 0.00 O ATOM 5 CB MET A 1 20.602 -12.366 -0.586 1.00 0.00 C ATOM 6 CG MET A 1 21.761 -12.728 0.344 1.00 0.00 C ATOM 7 SD MET A 1 21.648 -11.785 1.855 1.00 0.00 S ATOM 8 CE MET A 1 21.926 -10.141 1.215 1.00 0.00 C ATOM 0 H1 MET A 1 21.445 -13.243 -2.708 1.00 0.00 H new ATOM 0 H2 MET A 1 20.540 -14.658 -2.958 1.00 0.00 H new ATOM 0 H3 MET A 1 19.840 -13.139 -3.252 1.00 0.00 H new ATOM 0 HA MET A 1 20.382 -14.510 -0.753 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.944 -11.658 -1.341 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.816 -11.869 -0.017 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.739 -13.794 0.569 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.711 -12.526 -0.150 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.065 -9.447 2.044 1.00 0.00 H new ATOM 0 HE2 MET A 1 22.817 -10.141 0.587 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.065 -9.831 0.623 1.00 0.00 H new ATOM 18 N ASN A 2 17.987 -13.949 -0.043 1.00 0.00 N ATOM 19 CA ASN A 2 16.548 -13.966 0.161 1.00 0.00 C ATOM 20 C ASN A 2 16.247 -13.796 1.651 1.00 0.00 C ATOM 21 O ASN A 2 16.281 -14.763 2.410 1.00 0.00 O ATOM 22 CB ASN A 2 15.943 -15.296 -0.295 1.00 0.00 C ATOM 23 CG ASN A 2 15.522 -15.232 -1.764 1.00 0.00 C ATOM 24 OD1 ASN A 2 15.364 -14.171 -2.346 1.00 0.00 O ATOM 25 ND2 ASN A 2 15.349 -16.423 -2.330 1.00 0.00 N ATOM 0 H ASN A 2 18.536 -14.238 0.767 1.00 0.00 H new ATOM 0 HA ASN A 2 16.115 -13.154 -0.422 1.00 0.00 H new ATOM 0 HB2 ASN A 2 16.669 -16.097 -0.156 1.00 0.00 H new ATOM 0 HB3 ASN A 2 15.079 -15.538 0.324 1.00 0.00 H new ATOM 0 HD21 ASN A 2 15.067 -16.487 -3.308 1.00 0.00 H new ATOM 0 HD22 ASN A 2 15.498 -17.273 -1.786 1.00 0.00 H new ATOM 32 N TYR A 3 15.957 -12.558 2.026 1.00 0.00 N ATOM 33 CA TYR A 3 15.650 -12.249 3.412 1.00 0.00 C ATOM 34 C TYR A 3 14.438 -11.320 3.510 1.00 0.00 C ATOM 35 O TYR A 3 14.061 -10.680 2.530 1.00 0.00 O ATOM 36 CB TYR A 3 16.878 -11.524 3.965 1.00 0.00 C ATOM 37 CG TYR A 3 16.904 -11.418 5.491 1.00 0.00 C ATOM 38 CD1 TYR A 3 17.137 -12.542 6.257 1.00 0.00 C ATOM 39 CD2 TYR A 3 16.694 -10.198 6.101 1.00 0.00 C ATOM 40 CE1 TYR A 3 17.160 -12.442 7.693 1.00 0.00 C ATOM 41 CE2 TYR A 3 16.718 -10.098 7.537 1.00 0.00 C ATOM 42 CZ TYR A 3 16.950 -11.225 8.262 1.00 0.00 C ATOM 43 OH TYR A 3 16.972 -11.130 9.619 1.00 0.00 O ATOM 0 H TYR A 3 15.928 -11.758 1.394 1.00 0.00 H new ATOM 0 HA TYR A 3 15.417 -13.159 3.966 1.00 0.00 H new ATOM 0 HB2 TYR A 3 17.775 -12.045 3.632 1.00 0.00 H new ATOM 0 HB3 TYR A 3 16.916 -10.521 3.541 1.00 0.00 H new ATOM 0 HD1 TYR A 3 17.302 -13.496 5.779 1.00 0.00 H new ATOM 0 HD2 TYR A 3 16.512 -9.319 5.501 1.00 0.00 H new ATOM 0 HE1 TYR A 3 17.340 -13.314 8.304 1.00 0.00 H new ATOM 0 HE2 TYR A 3 16.555 -9.150 8.027 1.00 0.00 H new ATOM 0 HH TYR A 3 16.808 -10.201 9.885 1.00 0.00 H new ATOM 53 N LYS A 4 13.861 -11.275 4.702 1.00 0.00 N ATOM 54 CA LYS A 4 12.700 -10.436 4.941 1.00 0.00 C ATOM 55 C LYS A 4 11.562 -10.871 4.017 1.00 0.00 C ATOM 56 O LYS A 4 11.625 -11.939 3.408 1.00 0.00 O ATOM 57 CB LYS A 4 13.071 -8.957 4.805 1.00 0.00 C ATOM 58 CG LYS A 4 12.813 -8.205 6.113 1.00 0.00 C ATOM 59 CD LYS A 4 13.081 -6.708 5.946 1.00 0.00 C ATOM 60 CE LYS A 4 13.101 -6.000 7.302 1.00 0.00 C ATOM 61 NZ LYS A 4 13.271 -4.541 7.122 1.00 0.00 N ATOM 0 H LYS A 4 14.177 -11.807 5.513 1.00 0.00 H new ATOM 0 HA LYS A 4 12.345 -10.560 5.964 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.122 -8.866 4.530 1.00 0.00 H new ATOM 0 HB3 LYS A 4 12.490 -8.505 4.001 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.781 -8.361 6.429 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.451 -8.607 6.900 1.00 0.00 H new ATOM 0 HD2 LYS A 4 14.035 -6.560 5.440 1.00 0.00 H new ATOM 0 HD3 LYS A 4 12.312 -6.266 5.312 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.173 -6.201 7.837 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.913 -6.394 7.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 13.282 -4.075 8.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.168 -4.354 6.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.482 -4.167 6.557 1.00 0.00 H new ATOM 75 N LYS A 5 10.547 -10.023 3.940 1.00 0.00 N ATOM 76 CA LYS A 5 9.396 -10.308 3.100 1.00 0.00 C ATOM 77 C LYS A 5 8.968 -9.028 2.378 1.00 0.00 C ATOM 78 O LYS A 5 7.871 -8.520 2.605 1.00 0.00 O ATOM 79 CB LYS A 5 8.278 -10.952 3.923 1.00 0.00 C ATOM 80 CG LYS A 5 7.371 -11.810 3.038 1.00 0.00 C ATOM 81 CD LYS A 5 6.066 -12.152 3.759 1.00 0.00 C ATOM 82 CE LYS A 5 5.287 -13.229 3.002 1.00 0.00 C ATOM 83 NZ LYS A 5 4.554 -14.101 3.948 1.00 0.00 N ATOM 0 H LYS A 5 10.498 -9.138 4.445 1.00 0.00 H new ATOM 0 HA LYS A 5 9.656 -11.037 2.332 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.710 -11.568 4.712 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.688 -10.176 4.411 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.151 -11.278 2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.889 -12.728 2.762 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.285 -12.499 4.769 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.454 -11.255 3.855 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.585 -12.761 2.312 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.972 -13.828 2.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.377 -15.024 3.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.122 -14.235 4.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.647 -13.657 4.198 1.00 0.00 H new ATOM 97 N PRO A 6 9.880 -8.532 1.500 1.00 0.00 N ATOM 98 CA PRO A 6 9.609 -7.321 0.743 1.00 0.00 C ATOM 99 C PRO A 6 8.616 -7.594 -0.389 1.00 0.00 C ATOM 100 O PRO A 6 8.456 -8.735 -0.817 1.00 0.00 O ATOM 101 CB PRO A 6 10.967 -6.857 0.243 1.00 0.00 C ATOM 102 CG PRO A 6 11.883 -8.066 0.342 1.00 0.00 C ATOM 103 CD PRO A 6 11.190 -9.107 1.206 1.00 0.00 C ATOM 0 HA PRO A 6 9.135 -6.545 1.345 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.903 -6.498 -0.784 1.00 0.00 H new ATOM 0 HB3 PRO A 6 11.344 -6.031 0.846 1.00 0.00 H new ATOM 0 HG2 PRO A 6 12.091 -8.470 -0.649 1.00 0.00 H new ATOM 0 HG3 PRO A 6 12.841 -7.784 0.779 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.096 -10.058 0.682 1.00 0.00 H new ATOM 0 HD3 PRO A 6 11.752 -9.301 2.120 1.00 0.00 H new ATOM 111 N LYS A 7 7.976 -6.525 -0.841 1.00 0.00 N ATOM 112 CA LYS A 7 7.003 -6.635 -1.915 1.00 0.00 C ATOM 113 C LYS A 7 7.120 -5.414 -2.829 1.00 0.00 C ATOM 114 O LYS A 7 7.780 -4.435 -2.482 1.00 0.00 O ATOM 115 CB LYS A 7 5.598 -6.845 -1.346 1.00 0.00 C ATOM 116 CG LYS A 7 4.978 -8.137 -1.881 1.00 0.00 C ATOM 117 CD LYS A 7 5.144 -9.281 -0.880 1.00 0.00 C ATOM 118 CE LYS A 7 4.082 -10.360 -1.099 1.00 0.00 C ATOM 119 NZ LYS A 7 3.462 -10.746 0.189 1.00 0.00 N ATOM 0 H LYS A 7 8.112 -5.579 -0.483 1.00 0.00 H new ATOM 0 HA LYS A 7 7.208 -7.513 -2.527 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.644 -6.883 -0.258 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.965 -5.998 -1.609 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.919 -7.979 -2.085 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.448 -8.406 -2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.137 -9.717 -0.983 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.070 -8.893 0.136 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.316 -9.992 -1.782 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.534 -11.234 -1.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.743 -11.479 0.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.193 -11.117 0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.013 -9.913 0.622 1.00 0.00 H new ATOM 133 N LEU A 8 6.470 -5.511 -3.979 1.00 0.00 N ATOM 134 CA LEU A 8 6.492 -4.427 -4.946 1.00 0.00 C ATOM 135 C LEU A 8 5.058 -3.985 -5.244 1.00 0.00 C ATOM 136 O LEU A 8 4.156 -4.816 -5.339 1.00 0.00 O ATOM 137 CB LEU A 8 7.282 -4.835 -6.191 1.00 0.00 C ATOM 138 CG LEU A 8 8.619 -5.534 -5.938 1.00 0.00 C ATOM 139 CD1 LEU A 8 8.915 -6.564 -7.030 1.00 0.00 C ATOM 140 CD2 LEU A 8 9.751 -4.515 -5.790 1.00 0.00 C ATOM 0 H LEU A 8 5.924 -6.325 -4.263 1.00 0.00 H new ATOM 0 HA LEU A 8 7.013 -3.562 -4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.658 -5.495 -6.793 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.469 -3.942 -6.787 1.00 0.00 H new ATOM 0 HG LEU A 8 8.548 -6.076 -4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.871 -7.046 -6.826 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.126 -7.315 -7.045 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.960 -6.065 -7.998 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.690 -5.038 -5.611 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.832 -3.926 -6.704 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.538 -3.854 -4.950 1.00 0.00 H new ATOM 152 N LEU A 9 4.892 -2.678 -5.384 1.00 0.00 N ATOM 153 CA LEU A 9 3.583 -2.116 -5.670 1.00 0.00 C ATOM 154 C LEU A 9 3.412 -1.977 -7.184 1.00 0.00 C ATOM 155 O LEU A 9 3.981 -1.075 -7.796 1.00 0.00 O ATOM 156 CB LEU A 9 3.384 -0.806 -4.905 1.00 0.00 C ATOM 157 CG LEU A 9 3.147 -0.937 -3.400 1.00 0.00 C ATOM 158 CD1 LEU A 9 2.074 -1.987 -3.103 1.00 0.00 C ATOM 159 CD2 LEU A 9 4.455 -1.229 -2.662 1.00 0.00 C ATOM 0 H LEU A 9 5.643 -1.992 -5.305 1.00 0.00 H new ATOM 0 HA LEU A 9 2.796 -2.785 -5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.263 -0.180 -5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.536 -0.279 -5.342 1.00 0.00 H new ATOM 0 HG LEU A 9 2.774 0.018 -3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.925 -2.060 -2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.138 -1.696 -3.580 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.394 -2.954 -3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.258 -1.317 -1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.880 -2.162 -3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.160 -0.416 -2.835 1.00 0.00 H new ATOM 171 N TYR A 10 2.625 -2.884 -7.744 1.00 0.00 N ATOM 172 CA TYR A 10 2.372 -2.873 -9.175 1.00 0.00 C ATOM 173 C TYR A 10 1.273 -1.870 -9.530 1.00 0.00 C ATOM 174 O TYR A 10 0.275 -1.760 -8.820 1.00 0.00 O ATOM 175 CB TYR A 10 1.892 -4.283 -9.528 1.00 0.00 C ATOM 176 CG TYR A 10 1.658 -4.503 -11.024 1.00 0.00 C ATOM 177 CD1 TYR A 10 2.725 -4.495 -11.898 1.00 0.00 C ATOM 178 CD2 TYR A 10 0.378 -4.711 -11.499 1.00 0.00 C ATOM 179 CE1 TYR A 10 2.504 -4.702 -13.306 1.00 0.00 C ATOM 180 CE2 TYR A 10 0.158 -4.918 -12.906 1.00 0.00 C ATOM 181 CZ TYR A 10 1.232 -4.904 -13.741 1.00 0.00 C ATOM 182 OH TYR A 10 1.023 -5.100 -15.070 1.00 0.00 O ATOM 0 H TYR A 10 2.154 -3.631 -7.233 1.00 0.00 H new ATOM 0 HA TYR A 10 3.271 -2.587 -9.722 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.628 -5.005 -9.176 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.965 -4.485 -8.992 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.726 -4.334 -11.527 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.458 -4.718 -10.815 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.331 -4.697 -14.001 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.838 -5.081 -13.291 1.00 0.00 H new ATOM 0 HH TYR A 10 0.066 -5.232 -15.235 1.00 0.00 H new ATOM 192 N CYS A 11 1.495 -1.162 -10.628 1.00 0.00 N ATOM 193 CA CYS A 11 0.536 -0.171 -11.086 1.00 0.00 C ATOM 194 C CYS A 11 0.050 -0.580 -12.478 1.00 0.00 C ATOM 195 O CYS A 11 0.487 -0.018 -13.482 1.00 0.00 O ATOM 196 CB CYS A 11 1.133 1.238 -11.081 1.00 0.00 C ATOM 197 SG CYS A 11 -0.127 2.453 -11.615 1.00 0.00 S ATOM 0 H CYS A 11 2.325 -1.255 -11.214 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.312 -0.138 -10.402 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.490 1.487 -10.082 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.995 1.279 -11.747 1.00 0.00 H new ATOM 0 HG CYS A 11 0.438 3.607 -11.810 1.00 0.00 H new ATOM 203 N SER A 12 -0.846 -1.555 -12.494 1.00 0.00 N ATOM 204 CA SER A 12 -1.396 -2.046 -13.746 1.00 0.00 C ATOM 205 C SER A 12 -1.606 -0.882 -14.717 1.00 0.00 C ATOM 206 O SER A 12 -1.405 -1.031 -15.922 1.00 0.00 O ATOM 207 CB SER A 12 -2.714 -2.789 -13.516 1.00 0.00 C ATOM 208 OG SER A 12 -3.303 -3.224 -14.738 1.00 0.00 O ATOM 0 H SER A 12 -1.205 -2.019 -11.660 1.00 0.00 H new ATOM 0 HA SER A 12 -0.685 -2.749 -14.179 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.537 -3.651 -12.872 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.411 -2.136 -12.990 1.00 0.00 H new ATOM 0 HG SER A 12 -3.842 -4.026 -14.574 1.00 0.00 H new ATOM 214 N ASN A 13 -2.007 0.249 -14.157 1.00 0.00 N ATOM 215 CA ASN A 13 -2.246 1.437 -14.958 1.00 0.00 C ATOM 216 C ASN A 13 -1.187 1.527 -16.059 1.00 0.00 C ATOM 217 O ASN A 13 -1.506 1.420 -17.242 1.00 0.00 O ATOM 218 CB ASN A 13 -2.150 2.705 -14.106 1.00 0.00 C ATOM 219 CG ASN A 13 -3.202 3.732 -14.531 1.00 0.00 C ATOM 220 OD1 ASN A 13 -4.301 3.399 -14.943 1.00 0.00 O ATOM 221 ND2 ASN A 13 -2.805 4.995 -14.409 1.00 0.00 N ATOM 0 H ASN A 13 -2.173 0.368 -13.158 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.248 1.361 -15.381 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.287 2.452 -13.055 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.154 3.138 -14.202 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.435 5.755 -14.667 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.871 5.204 -14.057 1.00 0.00 H new ATOM 228 N GLY A 14 0.051 1.721 -15.630 1.00 0.00 N ATOM 229 CA GLY A 14 1.159 1.826 -16.564 1.00 0.00 C ATOM 230 C GLY A 14 2.277 0.847 -16.201 1.00 0.00 C ATOM 231 O GLY A 14 3.439 1.073 -16.538 1.00 0.00 O ATOM 0 H GLY A 14 0.312 1.808 -14.648 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.807 1.623 -17.575 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.547 2.845 -16.560 1.00 0.00 H new ATOM 235 N GLY A 15 1.888 -0.219 -15.517 1.00 0.00 N ATOM 236 CA GLY A 15 2.844 -1.232 -15.104 1.00 0.00 C ATOM 237 C GLY A 15 4.130 -0.592 -14.577 1.00 0.00 C ATOM 238 O GLY A 15 5.171 -0.655 -15.229 1.00 0.00 O ATOM 0 H GLY A 15 0.924 -0.403 -15.239 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.402 -1.859 -14.330 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.077 -1.882 -15.947 1.00 0.00 H new ATOM 242 N HIS A 16 4.015 0.010 -13.402 1.00 0.00 N ATOM 243 CA HIS A 16 5.156 0.661 -12.781 1.00 0.00 C ATOM 244 C HIS A 16 5.220 0.280 -11.300 1.00 0.00 C ATOM 245 O HIS A 16 4.243 -0.214 -10.740 1.00 0.00 O ATOM 246 CB HIS A 16 5.104 2.174 -13.002 1.00 0.00 C ATOM 247 CG HIS A 16 5.274 2.590 -14.444 1.00 0.00 C ATOM 248 ND1 HIS A 16 4.224 3.046 -15.221 1.00 0.00 N ATOM 249 CD2 HIS A 16 6.382 2.615 -15.239 1.00 0.00 C ATOM 250 CE1 HIS A 16 4.690 3.329 -16.429 1.00 0.00 C ATOM 251 NE2 HIS A 16 6.027 3.060 -16.438 1.00 0.00 N ATOM 0 H HIS A 16 3.150 0.061 -12.864 1.00 0.00 H new ATOM 0 HA HIS A 16 6.077 0.315 -13.250 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.149 2.552 -12.636 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.884 2.645 -12.404 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.379 2.322 -14.943 1.00 0.00 H new ATOM 0 HE1 HIS A 16 4.113 3.706 -17.260 1.00 0.00 H new ATOM 0 HE2 HIS A 16 6.652 3.181 -17.235 1.00 0.00 H new ATOM 259 N PHE A 17 6.381 0.525 -10.709 1.00 0.00 N ATOM 260 CA PHE A 17 6.585 0.214 -9.305 1.00 0.00 C ATOM 261 C PHE A 17 6.868 1.483 -8.498 1.00 0.00 C ATOM 262 O PHE A 17 7.572 2.376 -8.965 1.00 0.00 O ATOM 263 CB PHE A 17 7.803 -0.709 -9.224 1.00 0.00 C ATOM 264 CG PHE A 17 7.548 -2.123 -9.750 1.00 0.00 C ATOM 265 CD1 PHE A 17 6.455 -2.816 -9.334 1.00 0.00 C ATOM 266 CD2 PHE A 17 8.416 -2.687 -10.633 1.00 0.00 C ATOM 267 CE1 PHE A 17 6.218 -4.128 -9.822 1.00 0.00 C ATOM 268 CE2 PHE A 17 8.179 -3.999 -11.121 1.00 0.00 C ATOM 269 CZ PHE A 17 7.085 -4.692 -10.705 1.00 0.00 C ATOM 0 H PHE A 17 7.189 0.935 -11.177 1.00 0.00 H new ATOM 0 HA PHE A 17 5.691 -0.254 -8.894 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.622 -0.264 -9.790 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.130 -0.772 -8.186 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.767 -2.368 -8.632 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.285 -2.137 -10.963 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.349 -4.678 -9.492 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.867 -4.447 -11.822 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.905 -5.690 -11.076 1.00 0.00 H new ATOM 279 N LEU A 18 6.303 1.521 -7.300 1.00 0.00 N ATOM 280 CA LEU A 18 6.485 2.666 -6.424 1.00 0.00 C ATOM 281 C LEU A 18 7.852 2.570 -5.744 1.00 0.00 C ATOM 282 O LEU A 18 8.081 1.682 -4.925 1.00 0.00 O ATOM 283 CB LEU A 18 5.317 2.780 -5.442 1.00 0.00 C ATOM 284 CG LEU A 18 5.136 4.143 -4.770 1.00 0.00 C ATOM 285 CD1 LEU A 18 4.584 5.172 -5.758 1.00 0.00 C ATOM 286 CD2 LEU A 18 4.264 4.025 -3.517 1.00 0.00 C ATOM 0 H LEU A 18 5.719 0.778 -6.916 1.00 0.00 H new ATOM 0 HA LEU A 18 6.479 3.591 -7.000 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.397 2.534 -5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.448 2.028 -4.664 1.00 0.00 H new ATOM 0 HG LEU A 18 6.115 4.499 -4.449 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.465 6.132 -5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.276 5.283 -6.592 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.617 4.835 -6.131 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.151 5.007 -3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.283 3.638 -3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.737 3.346 -2.808 1.00 0.00 H new ATOM 298 N ARG A 19 8.725 3.498 -6.110 1.00 0.00 N ATOM 299 CA ARG A 19 10.064 3.529 -5.546 1.00 0.00 C ATOM 300 C ARG A 19 10.274 4.818 -4.748 1.00 0.00 C ATOM 301 O ARG A 19 9.678 5.848 -5.058 1.00 0.00 O ATOM 302 CB ARG A 19 11.126 3.438 -6.643 1.00 0.00 C ATOM 303 CG ARG A 19 11.433 4.820 -7.225 1.00 0.00 C ATOM 304 CD ARG A 19 12.077 4.701 -8.608 1.00 0.00 C ATOM 305 NE ARG A 19 13.546 4.840 -8.496 1.00 0.00 N ATOM 306 CZ ARG A 19 14.346 5.195 -9.510 1.00 0.00 C ATOM 307 NH1 ARG A 19 13.825 5.448 -10.718 1.00 0.00 N ATOM 308 NH2 ARG A 19 15.668 5.296 -9.316 1.00 0.00 N ATOM 0 H ARG A 19 8.531 4.233 -6.790 1.00 0.00 H new ATOM 0 HA ARG A 19 10.166 2.668 -4.886 1.00 0.00 H new ATOM 0 HB2 ARG A 19 12.038 3.000 -6.236 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.780 2.774 -7.435 1.00 0.00 H new ATOM 0 HG2 ARG A 19 10.514 5.401 -7.297 1.00 0.00 H new ATOM 0 HG3 ARG A 19 12.100 5.361 -6.554 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.827 3.738 -9.053 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.680 5.470 -9.270 1.00 0.00 H new ATOM 0 HE ARG A 19 13.976 4.654 -7.590 1.00 0.00 H new ATOM 0 HH11 ARG A 19 12.819 5.370 -10.866 1.00 0.00 H new ATOM 0 HH12 ARG A 19 14.435 5.718 -11.490 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.065 5.103 -8.396 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.278 5.566 -10.088 1.00 0.00 H new ATOM 322 N ILE A 20 11.122 4.717 -3.735 1.00 0.00 N ATOM 323 CA ILE A 20 11.418 5.862 -2.890 1.00 0.00 C ATOM 324 C ILE A 20 12.928 6.107 -2.881 1.00 0.00 C ATOM 325 O ILE A 20 13.684 5.322 -2.311 1.00 0.00 O ATOM 326 CB ILE A 20 10.817 5.669 -1.496 1.00 0.00 C ATOM 327 CG1 ILE A 20 9.307 5.436 -1.577 1.00 0.00 C ATOM 328 CG2 ILE A 20 11.168 6.843 -0.580 1.00 0.00 C ATOM 329 CD1 ILE A 20 8.711 5.219 -0.185 1.00 0.00 C ATOM 0 H ILE A 20 11.613 3.860 -3.480 1.00 0.00 H new ATOM 0 HA ILE A 20 10.951 6.762 -3.291 1.00 0.00 H new ATOM 0 HB ILE A 20 11.257 4.774 -1.055 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.828 6.292 -2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.102 4.568 -2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 20 10.729 6.681 0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.251 6.920 -0.486 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.775 7.766 -1.005 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.637 5.056 -0.271 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.175 4.348 0.278 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.896 6.099 0.431 1.00 0.00 H new ATOM 341 N LEU A 21 13.322 7.199 -3.519 1.00 0.00 N ATOM 342 CA LEU A 21 14.728 7.558 -3.591 1.00 0.00 C ATOM 343 C LEU A 21 15.168 8.153 -2.252 1.00 0.00 C ATOM 344 O LEU A 21 14.341 8.646 -1.486 1.00 0.00 O ATOM 345 CB LEU A 21 14.986 8.476 -4.787 1.00 0.00 C ATOM 346 CG LEU A 21 14.357 8.044 -6.113 1.00 0.00 C ATOM 347 CD1 LEU A 21 14.676 9.046 -7.224 1.00 0.00 C ATOM 348 CD2 LEU A 21 14.783 6.622 -6.484 1.00 0.00 C ATOM 0 H LEU A 21 12.692 7.847 -3.991 1.00 0.00 H new ATOM 0 HA LEU A 21 15.339 6.672 -3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 21 14.618 9.472 -4.541 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.063 8.560 -4.929 1.00 0.00 H new ATOM 0 HG LEU A 21 13.274 8.034 -5.990 1.00 0.00 H new ATOM 0 HD11 LEU A 21 14.217 8.715 -8.155 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.283 10.026 -6.954 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.756 9.112 -7.355 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.322 6.339 -7.430 1.00 0.00 H new ATOM 0 HD22 LEU A 21 15.868 6.581 -6.582 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.463 5.931 -5.704 1.00 0.00 H new ATOM 360 N PRO A 22 16.503 8.086 -2.004 1.00 0.00 N ATOM 361 CA PRO A 22 17.063 8.613 -0.771 1.00 0.00 C ATOM 362 C PRO A 22 17.110 10.142 -0.799 1.00 0.00 C ATOM 363 O PRO A 22 17.556 10.771 0.159 1.00 0.00 O ATOM 364 CB PRO A 22 18.440 7.979 -0.661 1.00 0.00 C ATOM 365 CG PRO A 22 18.786 7.489 -2.058 1.00 0.00 C ATOM 366 CD PRO A 22 17.512 7.510 -2.888 1.00 0.00 C ATOM 0 HA PRO A 22 16.457 8.372 0.102 1.00 0.00 H new ATOM 0 HB2 PRO A 22 19.175 8.701 -0.307 1.00 0.00 H new ATOM 0 HB3 PRO A 22 18.435 7.154 0.052 1.00 0.00 H new ATOM 0 HG2 PRO A 22 19.546 8.127 -2.509 1.00 0.00 H new ATOM 0 HG3 PRO A 22 19.199 6.481 -2.018 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.637 8.109 -3.790 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.231 6.507 -3.208 1.00 0.00 H new ATOM 374 N ASP A 23 16.642 10.696 -1.908 1.00 0.00 N ATOM 375 CA ASP A 23 16.625 12.139 -2.074 1.00 0.00 C ATOM 376 C ASP A 23 15.212 12.663 -1.804 1.00 0.00 C ATOM 377 O ASP A 23 14.916 13.826 -2.072 1.00 0.00 O ATOM 378 CB ASP A 23 17.011 12.535 -3.500 1.00 0.00 C ATOM 379 CG ASP A 23 18.402 13.155 -3.645 1.00 0.00 C ATOM 380 OD1 ASP A 23 19.378 12.374 -3.611 1.00 0.00 O ATOM 381 OD2 ASP A 23 18.459 14.396 -3.786 1.00 0.00 O ATOM 0 H ASP A 23 16.272 10.171 -2.700 1.00 0.00 H new ATOM 0 HA ASP A 23 17.343 12.567 -1.374 1.00 0.00 H new ATOM 0 HB2 ASP A 23 16.956 11.650 -4.134 1.00 0.00 H new ATOM 0 HB3 ASP A 23 16.273 13.243 -3.877 1.00 0.00 H new ATOM 386 N GLY A 24 14.379 11.778 -1.278 1.00 0.00 N ATOM 387 CA GLY A 24 13.005 12.136 -0.969 1.00 0.00 C ATOM 388 C GLY A 24 12.174 12.276 -2.246 1.00 0.00 C ATOM 389 O GLY A 24 11.440 13.249 -2.410 1.00 0.00 O ATOM 0 H GLY A 24 14.629 10.814 -1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.563 11.375 -0.325 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.986 13.074 -0.414 1.00 0.00 H new ATOM 393 N THR A 25 12.319 11.291 -3.120 1.00 0.00 N ATOM 394 CA THR A 25 11.592 11.292 -4.378 1.00 0.00 C ATOM 395 C THR A 25 10.828 9.979 -4.554 1.00 0.00 C ATOM 396 O THR A 25 11.310 8.918 -4.159 1.00 0.00 O ATOM 397 CB THR A 25 12.592 11.569 -5.502 1.00 0.00 C ATOM 398 OG1 THR A 25 12.793 12.979 -5.449 1.00 0.00 O ATOM 399 CG2 THR A 25 11.995 11.330 -6.890 1.00 0.00 C ATOM 0 H THR A 25 12.930 10.486 -2.982 1.00 0.00 H new ATOM 0 HA THR A 25 10.835 12.076 -4.396 1.00 0.00 H new ATOM 0 HB THR A 25 13.469 10.936 -5.370 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.430 13.245 -6.144 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.747 11.541 -7.651 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.675 10.291 -6.975 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.137 11.987 -7.035 1.00 0.00 H new ATOM 407 N VAL A 26 9.649 10.092 -5.148 1.00 0.00 N ATOM 408 CA VAL A 26 8.814 8.926 -5.381 1.00 0.00 C ATOM 409 C VAL A 26 8.254 8.982 -6.804 1.00 0.00 C ATOM 410 O VAL A 26 7.541 9.919 -7.158 1.00 0.00 O ATOM 411 CB VAL A 26 7.723 8.841 -4.312 1.00 0.00 C ATOM 412 CG1 VAL A 26 7.043 7.471 -4.330 1.00 0.00 C ATOM 413 CG2 VAL A 26 8.289 9.154 -2.925 1.00 0.00 C ATOM 0 H VAL A 26 9.252 10.973 -5.475 1.00 0.00 H new ATOM 0 HA VAL A 26 9.402 8.012 -5.298 1.00 0.00 H new ATOM 0 HB VAL A 26 6.968 9.592 -4.543 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.272 7.437 -3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.589 7.303 -5.307 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.783 6.695 -4.136 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.493 9.087 -2.183 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.073 8.437 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.705 10.162 -2.921 1.00 0.00 H new ATOM 423 N ASP A 27 8.598 7.965 -7.581 1.00 0.00 N ATOM 424 CA ASP A 27 8.138 7.887 -8.958 1.00 0.00 C ATOM 425 C ASP A 27 7.965 6.419 -9.350 1.00 0.00 C ATOM 426 O ASP A 27 8.495 5.528 -8.687 1.00 0.00 O ATOM 427 CB ASP A 27 9.153 8.516 -9.914 1.00 0.00 C ATOM 428 CG ASP A 27 9.915 9.717 -9.350 1.00 0.00 C ATOM 429 OD1 ASP A 27 9.242 10.729 -9.056 1.00 0.00 O ATOM 430 OD2 ASP A 27 11.153 9.596 -9.225 1.00 0.00 O ATOM 0 H ASP A 27 9.189 7.189 -7.284 1.00 0.00 H new ATOM 0 HA ASP A 27 7.194 8.426 -9.030 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.874 7.753 -10.208 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.632 8.828 -10.819 1.00 0.00 H new ATOM 435 N GLY A 28 7.222 6.210 -10.427 1.00 0.00 N ATOM 436 CA GLY A 28 6.973 4.865 -10.916 1.00 0.00 C ATOM 437 C GLY A 28 8.121 4.384 -11.806 1.00 0.00 C ATOM 438 O GLY A 28 8.596 5.124 -12.667 1.00 0.00 O ATOM 0 H GLY A 28 6.784 6.951 -10.975 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.852 4.184 -10.073 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.039 4.846 -11.478 1.00 0.00 H new ATOM 442 N THR A 29 8.534 3.148 -11.569 1.00 0.00 N ATOM 443 CA THR A 29 9.616 2.559 -12.339 1.00 0.00 C ATOM 444 C THR A 29 9.278 1.116 -12.718 1.00 0.00 C ATOM 445 O THR A 29 8.776 0.355 -11.892 1.00 0.00 O ATOM 446 CB THR A 29 10.902 2.687 -11.519 1.00 0.00 C ATOM 447 OG1 THR A 29 11.937 2.715 -12.499 1.00 0.00 O ATOM 448 CG2 THR A 29 11.200 1.431 -10.698 1.00 0.00 C ATOM 0 H THR A 29 8.138 2.538 -10.854 1.00 0.00 H new ATOM 0 HA THR A 29 9.761 3.083 -13.283 1.00 0.00 H new ATOM 0 HB THR A 29 10.824 3.546 -10.853 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.806 2.798 -12.054 1.00 0.00 H new ATOM 0 HG21 THR A 29 12.122 1.575 -10.135 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.378 1.245 -10.006 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.312 0.577 -11.367 1.00 0.00 H new ATOM 456 N ARG A 30 9.567 0.783 -13.967 1.00 0.00 N ATOM 457 CA ARG A 30 9.300 -0.555 -14.466 1.00 0.00 C ATOM 458 C ARG A 30 10.613 -1.301 -14.713 1.00 0.00 C ATOM 459 O ARG A 30 10.860 -1.780 -15.819 1.00 0.00 O ATOM 460 CB ARG A 30 8.496 -0.508 -15.767 1.00 0.00 C ATOM 461 CG ARG A 30 7.979 -1.898 -16.143 1.00 0.00 C ATOM 462 CD ARG A 30 8.231 -2.195 -17.622 1.00 0.00 C ATOM 463 NE ARG A 30 8.187 -3.655 -17.859 1.00 0.00 N ATOM 464 CZ ARG A 30 8.633 -4.249 -18.975 1.00 0.00 C ATOM 465 NH1 ARG A 30 9.158 -3.511 -19.963 1.00 0.00 N ATOM 466 NH2 ARG A 30 8.553 -5.580 -19.103 1.00 0.00 N ATOM 0 H ARG A 30 9.984 1.417 -14.649 1.00 0.00 H new ATOM 0 HA ARG A 30 8.716 -1.080 -13.710 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.656 0.178 -15.655 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.121 -0.119 -16.571 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.471 -2.652 -15.528 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.911 -1.962 -15.932 1.00 0.00 H new ATOM 0 HD2 ARG A 30 7.480 -1.696 -18.235 1.00 0.00 H new ATOM 0 HD3 ARG A 30 9.201 -1.799 -17.921 1.00 0.00 H new ATOM 0 HE ARG A 30 7.793 -4.246 -17.127 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.218 -2.497 -19.866 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.497 -3.963 -20.812 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.153 -6.141 -18.351 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.892 -6.032 -19.952 1.00 0.00 H new ATOM 480 N ASP A 31 11.420 -1.377 -13.665 1.00 0.00 N ATOM 481 CA ASP A 31 12.701 -2.057 -13.754 1.00 0.00 C ATOM 482 C ASP A 31 13.014 -2.722 -12.412 1.00 0.00 C ATOM 483 O ASP A 31 13.709 -2.145 -11.576 1.00 0.00 O ATOM 484 CB ASP A 31 13.827 -1.070 -14.067 1.00 0.00 C ATOM 485 CG ASP A 31 15.007 -1.661 -14.841 1.00 0.00 C ATOM 486 OD1 ASP A 31 15.166 -2.899 -14.776 1.00 0.00 O ATOM 487 OD2 ASP A 31 15.724 -0.861 -15.481 1.00 0.00 O ATOM 0 H ASP A 31 11.211 -0.979 -12.749 1.00 0.00 H new ATOM 0 HA ASP A 31 12.637 -2.796 -14.553 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.414 -0.241 -14.641 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.198 -0.655 -13.130 1.00 0.00 H new ATOM 492 N ARG A 32 12.487 -3.927 -12.247 1.00 0.00 N ATOM 493 CA ARG A 32 12.703 -4.676 -11.022 1.00 0.00 C ATOM 494 C ARG A 32 14.144 -4.503 -10.540 1.00 0.00 C ATOM 495 O ARG A 32 14.394 -4.407 -9.339 1.00 0.00 O ATOM 496 CB ARG A 32 12.417 -6.165 -11.229 1.00 0.00 C ATOM 497 CG ARG A 32 10.917 -6.417 -11.398 1.00 0.00 C ATOM 498 CD ARG A 32 10.572 -6.712 -12.859 1.00 0.00 C ATOM 499 NE ARG A 32 10.895 -8.120 -13.181 1.00 0.00 N ATOM 500 CZ ARG A 32 10.667 -8.689 -14.373 1.00 0.00 C ATOM 501 NH1 ARG A 32 10.115 -7.974 -15.362 1.00 0.00 N ATOM 502 NH2 ARG A 32 10.993 -9.973 -14.575 1.00 0.00 N ATOM 0 H ARG A 32 11.911 -4.402 -12.942 1.00 0.00 H new ATOM 0 HA ARG A 32 12.016 -4.286 -10.271 1.00 0.00 H new ATOM 0 HB2 ARG A 32 12.951 -6.523 -12.109 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.791 -6.733 -10.377 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.613 -7.256 -10.772 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.358 -5.546 -11.057 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.513 -6.523 -13.036 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.129 -6.043 -13.515 1.00 0.00 H new ATOM 0 HE ARG A 32 11.317 -8.693 -12.450 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.868 -6.996 -15.208 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.942 -8.407 -16.269 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.414 -10.517 -13.822 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.820 -10.407 -15.482 1.00 0.00 H new ATOM 516 N SER A 33 15.056 -4.469 -11.501 1.00 0.00 N ATOM 517 CA SER A 33 16.466 -4.310 -11.189 1.00 0.00 C ATOM 518 C SER A 33 16.639 -3.311 -10.043 1.00 0.00 C ATOM 519 O SER A 33 17.449 -3.528 -9.143 1.00 0.00 O ATOM 520 CB SER A 33 17.253 -3.849 -12.418 1.00 0.00 C ATOM 521 OG SER A 33 18.482 -4.555 -12.561 1.00 0.00 O ATOM 0 H SER A 33 14.846 -4.549 -12.496 1.00 0.00 H new ATOM 0 HA SER A 33 16.860 -5.279 -10.881 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.646 -3.993 -13.312 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.456 -2.781 -12.339 1.00 0.00 H new ATOM 0 HG SER A 33 18.953 -4.233 -13.358 1.00 0.00 H new ATOM 527 N ASP A 34 15.865 -2.238 -10.114 1.00 0.00 N ATOM 528 CA ASP A 34 15.923 -1.205 -9.094 1.00 0.00 C ATOM 529 C ASP A 34 15.941 -1.861 -7.711 1.00 0.00 C ATOM 530 O ASP A 34 15.019 -2.592 -7.354 1.00 0.00 O ATOM 531 CB ASP A 34 14.699 -0.290 -9.166 1.00 0.00 C ATOM 532 CG ASP A 34 14.993 1.200 -8.981 1.00 0.00 C ATOM 533 OD1 ASP A 34 16.077 1.625 -9.436 1.00 0.00 O ATOM 534 OD2 ASP A 34 14.128 1.880 -8.389 1.00 0.00 O ATOM 0 H ASP A 34 15.194 -2.062 -10.862 1.00 0.00 H new ATOM 0 HA ASP A 34 16.824 -0.616 -9.262 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.214 -0.432 -10.132 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.986 -0.602 -8.403 1.00 0.00 H new ATOM 539 N GLN A 35 17.002 -1.575 -6.971 1.00 0.00 N ATOM 540 CA GLN A 35 17.153 -2.128 -5.635 1.00 0.00 C ATOM 541 C GLN A 35 16.615 -1.148 -4.591 1.00 0.00 C ATOM 542 O GLN A 35 17.075 -1.135 -3.451 1.00 0.00 O ATOM 543 CB GLN A 35 18.614 -2.484 -5.351 1.00 0.00 C ATOM 544 CG GLN A 35 19.110 -3.568 -6.310 1.00 0.00 C ATOM 545 CD GLN A 35 19.010 -4.954 -5.671 1.00 0.00 C ATOM 546 OE1 GLN A 35 19.947 -5.461 -5.076 1.00 0.00 O ATOM 547 NE2 GLN A 35 17.825 -5.537 -5.827 1.00 0.00 N ATOM 0 H GLN A 35 17.765 -0.968 -7.271 1.00 0.00 H new ATOM 0 HA GLN A 35 16.571 -3.048 -5.576 1.00 0.00 H new ATOM 0 HB2 GLN A 35 19.235 -1.594 -5.450 1.00 0.00 H new ATOM 0 HB3 GLN A 35 18.715 -2.830 -4.322 1.00 0.00 H new ATOM 0 HG2 GLN A 35 18.522 -3.544 -7.227 1.00 0.00 H new ATOM 0 HG3 GLN A 35 20.144 -3.366 -6.589 1.00 0.00 H new ATOM 0 HE21 GLN A 35 17.083 -5.057 -6.336 1.00 0.00 H new ATOM 0 HE22 GLN A 35 17.658 -6.465 -5.437 1.00 0.00 H new ATOM 556 N HIS A 36 15.647 -0.350 -5.018 1.00 0.00 N ATOM 557 CA HIS A 36 15.041 0.631 -4.135 1.00 0.00 C ATOM 558 C HIS A 36 13.534 0.384 -4.049 1.00 0.00 C ATOM 559 O HIS A 36 12.948 0.461 -2.970 1.00 0.00 O ATOM 560 CB HIS A 36 15.384 2.053 -4.585 1.00 0.00 C ATOM 561 CG HIS A 36 16.861 2.368 -4.554 1.00 0.00 C ATOM 562 ND1 HIS A 36 17.772 1.773 -5.410 1.00 0.00 N ATOM 563 CD2 HIS A 36 17.574 3.220 -3.765 1.00 0.00 C ATOM 564 CE1 HIS A 36 18.976 2.253 -5.138 1.00 0.00 C ATOM 565 NE2 HIS A 36 18.852 3.149 -4.117 1.00 0.00 N ATOM 0 H HIS A 36 15.268 -0.363 -5.965 1.00 0.00 H new ATOM 0 HA HIS A 36 15.449 0.521 -3.130 1.00 0.00 H new ATOM 0 HB2 HIS A 36 15.012 2.202 -5.599 1.00 0.00 H new ATOM 0 HB3 HIS A 36 14.858 2.762 -3.946 1.00 0.00 H new ATOM 0 HD2 HIS A 36 17.168 3.847 -2.985 1.00 0.00 H new ATOM 0 HE1 HIS A 36 19.895 1.982 -5.637 1.00 0.00 H new ATOM 0 HE2 HIS A 36 19.615 3.677 -3.694 1.00 0.00 H new ATOM 573 N ILE A 37 12.948 0.092 -5.202 1.00 0.00 N ATOM 574 CA ILE A 37 11.520 -0.168 -5.271 1.00 0.00 C ATOM 575 C ILE A 37 11.133 -1.161 -4.174 1.00 0.00 C ATOM 576 O ILE A 37 9.994 -1.167 -3.711 1.00 0.00 O ATOM 577 CB ILE A 37 11.126 -0.621 -6.678 1.00 0.00 C ATOM 578 CG1 ILE A 37 11.802 -1.945 -7.038 1.00 0.00 C ATOM 579 CG2 ILE A 37 11.420 0.472 -7.708 1.00 0.00 C ATOM 580 CD1 ILE A 37 11.194 -2.544 -8.308 1.00 0.00 C ATOM 0 H ILE A 37 13.437 0.030 -6.095 1.00 0.00 H new ATOM 0 HA ILE A 37 10.957 0.747 -5.086 1.00 0.00 H new ATOM 0 HB ILE A 37 10.050 -0.796 -6.692 1.00 0.00 H new ATOM 0 HG12 ILE A 37 12.870 -1.784 -7.183 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.695 -2.649 -6.212 1.00 0.00 H new ATOM 0 HG21 ILE A 37 11.131 0.125 -8.700 1.00 0.00 H new ATOM 0 HG22 ILE A 37 10.854 1.369 -7.458 1.00 0.00 H new ATOM 0 HG23 ILE A 37 12.485 0.702 -7.701 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.693 -3.485 -8.541 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.131 -2.726 -8.151 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.325 -1.849 -9.137 1.00 0.00 H new ATOM 592 N GLN A 38 12.103 -1.978 -3.790 1.00 0.00 N ATOM 593 CA GLN A 38 11.878 -2.973 -2.756 1.00 0.00 C ATOM 594 C GLN A 38 11.299 -2.315 -1.502 1.00 0.00 C ATOM 595 O GLN A 38 12.043 -1.889 -0.620 1.00 0.00 O ATOM 596 CB GLN A 38 13.169 -3.729 -2.432 1.00 0.00 C ATOM 597 CG GLN A 38 13.458 -4.797 -3.487 1.00 0.00 C ATOM 598 CD GLN A 38 14.837 -5.424 -3.269 1.00 0.00 C ATOM 599 OE1 GLN A 38 15.860 -4.759 -3.289 1.00 0.00 O ATOM 600 NE2 GLN A 38 14.808 -6.737 -3.061 1.00 0.00 N ATOM 0 H GLN A 38 13.047 -1.971 -4.177 1.00 0.00 H new ATOM 0 HA GLN A 38 11.155 -3.698 -3.129 1.00 0.00 H new ATOM 0 HB2 GLN A 38 14.002 -3.028 -2.381 1.00 0.00 H new ATOM 0 HB3 GLN A 38 13.085 -4.196 -1.451 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.692 -5.571 -3.445 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.409 -4.354 -4.482 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.917 -7.233 -3.057 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.677 -7.248 -2.906 1.00 0.00 H new ATOM 609 N LEU A 39 9.976 -2.252 -1.463 1.00 0.00 N ATOM 610 CA LEU A 39 9.288 -1.653 -0.332 1.00 0.00 C ATOM 611 C LEU A 39 8.749 -2.760 0.577 1.00 0.00 C ATOM 612 O LEU A 39 8.310 -3.804 0.096 1.00 0.00 O ATOM 613 CB LEU A 39 8.214 -0.676 -0.815 1.00 0.00 C ATOM 614 CG LEU A 39 8.719 0.661 -1.360 1.00 0.00 C ATOM 615 CD1 LEU A 39 7.604 1.412 -2.089 1.00 0.00 C ATOM 616 CD2 LEU A 39 9.347 1.504 -0.249 1.00 0.00 C ATOM 0 H LEU A 39 9.362 -2.606 -2.197 1.00 0.00 H new ATOM 0 HA LEU A 39 9.981 -1.060 0.265 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.630 -1.166 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.535 -0.475 0.014 1.00 0.00 H new ATOM 0 HG LEU A 39 9.502 0.458 -2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.990 2.359 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.244 0.809 -2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.783 1.604 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.698 2.449 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.603 1.700 0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.188 0.964 0.186 1.00 0.00 H new ATOM 628 N GLN A 40 8.801 -2.495 1.874 1.00 0.00 N ATOM 629 CA GLN A 40 8.324 -3.455 2.854 1.00 0.00 C ATOM 630 C GLN A 40 6.979 -3.005 3.427 1.00 0.00 C ATOM 631 O GLN A 40 6.899 -1.977 4.098 1.00 0.00 O ATOM 632 CB GLN A 40 9.354 -3.660 3.967 1.00 0.00 C ATOM 633 CG GLN A 40 9.798 -2.320 4.557 1.00 0.00 C ATOM 634 CD GLN A 40 9.752 -2.353 6.086 1.00 0.00 C ATOM 635 OE1 GLN A 40 8.717 -2.558 6.698 1.00 0.00 O ATOM 636 NE2 GLN A 40 10.930 -2.139 6.666 1.00 0.00 N ATOM 0 H GLN A 40 9.167 -1.628 2.269 1.00 0.00 H new ATOM 0 HA GLN A 40 8.181 -4.414 2.355 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.927 -4.283 4.752 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.220 -4.192 3.573 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.810 -2.090 4.225 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.152 -1.524 4.187 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.758 -1.974 6.093 1.00 0.00 H new ATOM 0 HE22 GLN A 40 11.005 -2.140 7.683 1.00 0.00 H new ATOM 645 N LEU A 41 5.955 -3.796 3.142 1.00 0.00 N ATOM 646 CA LEU A 41 4.618 -3.491 3.621 1.00 0.00 C ATOM 647 C LEU A 41 4.440 -4.071 5.026 1.00 0.00 C ATOM 648 O LEU A 41 4.835 -5.207 5.287 1.00 0.00 O ATOM 649 CB LEU A 41 3.567 -3.973 2.619 1.00 0.00 C ATOM 650 CG LEU A 41 3.326 -3.065 1.411 1.00 0.00 C ATOM 651 CD1 LEU A 41 3.721 -3.767 0.110 1.00 0.00 C ATOM 652 CD2 LEU A 41 1.879 -2.570 1.378 1.00 0.00 C ATOM 0 H LEU A 41 6.025 -4.648 2.585 1.00 0.00 H new ATOM 0 HA LEU A 41 4.478 -2.413 3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.864 -4.957 2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.622 -4.101 3.147 1.00 0.00 H new ATOM 0 HG LEU A 41 3.965 -2.187 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.540 -3.100 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.778 -4.029 0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.126 -4.673 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.734 -1.927 0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.204 -3.423 1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.666 -2.007 2.287 1.00 0.00 H new ATOM 664 N SER A 42 3.844 -3.265 5.893 1.00 0.00 N ATOM 665 CA SER A 42 3.609 -3.684 7.264 1.00 0.00 C ATOM 666 C SER A 42 2.230 -3.209 7.727 1.00 0.00 C ATOM 667 O SER A 42 1.656 -2.294 7.140 1.00 0.00 O ATOM 668 CB SER A 42 4.696 -3.149 8.198 1.00 0.00 C ATOM 669 OG SER A 42 6.003 -3.361 7.672 1.00 0.00 O ATOM 0 H SER A 42 3.517 -2.324 5.672 1.00 0.00 H new ATOM 0 HA SER A 42 3.642 -4.773 7.299 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.540 -2.083 8.363 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.612 -3.637 9.169 1.00 0.00 H new ATOM 0 HG SER A 42 6.669 -3.004 8.296 1.00 0.00 H new ATOM 675 N ALA A 43 1.739 -3.853 8.776 1.00 0.00 N ATOM 676 CA ALA A 43 0.439 -3.507 9.324 1.00 0.00 C ATOM 677 C ALA A 43 0.597 -3.124 10.797 1.00 0.00 C ATOM 678 O ALA A 43 1.135 -3.897 11.589 1.00 0.00 O ATOM 679 CB ALA A 43 -0.526 -4.678 9.127 1.00 0.00 C ATOM 0 H ALA A 43 2.218 -4.612 9.260 1.00 0.00 H new ATOM 0 HA ALA A 43 0.019 -2.647 8.802 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.502 -4.419 9.538 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.626 -4.892 8.063 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.139 -5.559 9.639 1.00 0.00 H new ATOM 685 N GLU A 44 0.117 -1.932 11.120 1.00 0.00 N ATOM 686 CA GLU A 44 0.199 -1.437 12.484 1.00 0.00 C ATOM 687 C GLU A 44 -1.194 -1.396 13.117 1.00 0.00 C ATOM 688 O GLU A 44 -1.362 -1.763 14.279 1.00 0.00 O ATOM 689 CB GLU A 44 0.863 -0.060 12.529 1.00 0.00 C ATOM 690 CG GLU A 44 0.199 0.835 13.577 1.00 0.00 C ATOM 691 CD GLU A 44 1.132 1.973 13.997 1.00 0.00 C ATOM 692 OE1 GLU A 44 2.325 1.675 14.221 1.00 0.00 O ATOM 693 OE2 GLU A 44 0.631 3.115 14.084 1.00 0.00 O ATOM 0 H GLU A 44 -0.330 -1.295 10.461 1.00 0.00 H new ATOM 0 HA GLU A 44 0.820 -2.121 13.062 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.923 -0.171 12.759 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.797 0.412 11.549 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.726 1.248 13.174 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.071 0.240 14.450 1.00 0.00 H new ATOM 700 N SER A 45 -2.156 -0.945 12.326 1.00 0.00 N ATOM 701 CA SER A 45 -3.528 -0.851 12.794 1.00 0.00 C ATOM 702 C SER A 45 -4.465 -1.565 11.818 1.00 0.00 C ATOM 703 O SER A 45 -4.086 -1.845 10.682 1.00 0.00 O ATOM 704 CB SER A 45 -3.952 0.609 12.965 1.00 0.00 C ATOM 705 OG SER A 45 -2.855 1.506 12.811 1.00 0.00 O ATOM 0 H SER A 45 -2.012 -0.640 11.363 1.00 0.00 H new ATOM 0 HA SER A 45 -3.591 -1.336 13.768 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.723 0.850 12.233 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.395 0.744 13.952 1.00 0.00 H new ATOM 0 HG SER A 45 -3.185 2.377 12.506 1.00 0.00 H new ATOM 711 N VAL A 46 -5.669 -1.839 12.297 1.00 0.00 N ATOM 712 CA VAL A 46 -6.663 -2.516 11.481 1.00 0.00 C ATOM 713 C VAL A 46 -7.002 -1.643 10.271 1.00 0.00 C ATOM 714 O VAL A 46 -7.366 -0.478 10.423 1.00 0.00 O ATOM 715 CB VAL A 46 -7.888 -2.864 12.329 1.00 0.00 C ATOM 716 CG1 VAL A 46 -8.552 -1.599 12.878 1.00 0.00 C ATOM 717 CG2 VAL A 46 -8.886 -3.705 11.531 1.00 0.00 C ATOM 0 H VAL A 46 -5.979 -1.605 13.240 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.269 -3.459 11.102 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.550 -3.460 13.177 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.420 -1.874 13.477 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.840 -1.055 13.499 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.869 -0.966 12.049 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.747 -3.939 12.157 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.215 -3.146 10.655 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.408 -4.631 11.211 1.00 0.00 H new ATOM 727 N GLY A 47 -6.871 -2.241 9.095 1.00 0.00 N ATOM 728 CA GLY A 47 -7.159 -1.532 7.860 1.00 0.00 C ATOM 729 C GLY A 47 -6.059 -0.517 7.540 1.00 0.00 C ATOM 730 O GLY A 47 -6.168 0.239 6.577 1.00 0.00 O ATOM 0 H GLY A 47 -6.570 -3.208 8.972 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.251 -2.245 7.040 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.117 -1.020 7.946 1.00 0.00 H new ATOM 734 N GLU A 48 -5.025 -0.534 8.368 1.00 0.00 N ATOM 735 CA GLU A 48 -3.906 0.376 8.186 1.00 0.00 C ATOM 736 C GLU A 48 -2.632 -0.407 7.865 1.00 0.00 C ATOM 737 O GLU A 48 -2.390 -1.469 8.438 1.00 0.00 O ATOM 738 CB GLU A 48 -3.711 1.259 9.420 1.00 0.00 C ATOM 739 CG GLU A 48 -4.966 2.087 9.705 1.00 0.00 C ATOM 740 CD GLU A 48 -4.653 3.248 10.652 1.00 0.00 C ATOM 741 OE1 GLU A 48 -4.206 4.295 10.137 1.00 0.00 O ATOM 742 OE2 GLU A 48 -4.867 3.061 11.869 1.00 0.00 O ATOM 0 H GLU A 48 -4.938 -1.163 9.166 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.129 1.031 7.343 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.478 0.637 10.284 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.860 1.923 9.266 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.371 2.474 8.770 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.734 1.451 10.145 1.00 0.00 H new ATOM 749 N VAL A 49 -1.849 0.146 6.950 1.00 0.00 N ATOM 750 CA VAL A 49 -0.606 -0.487 6.547 1.00 0.00 C ATOM 751 C VAL A 49 0.491 0.574 6.438 1.00 0.00 C ATOM 752 O VAL A 49 0.199 1.765 6.338 1.00 0.00 O ATOM 753 CB VAL A 49 -0.814 -1.268 5.247 1.00 0.00 C ATOM 754 CG1 VAL A 49 -1.910 -2.322 5.410 1.00 0.00 C ATOM 755 CG2 VAL A 49 -1.129 -0.323 4.085 1.00 0.00 C ATOM 0 H VAL A 49 -2.052 1.026 6.476 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.285 -1.210 7.297 1.00 0.00 H new ATOM 0 HB VAL A 49 0.116 -1.786 5.014 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.038 -2.862 4.472 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.628 -3.022 6.196 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.847 -1.834 5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.272 -0.903 3.173 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.038 0.236 4.307 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.301 0.372 3.947 1.00 0.00 H new ATOM 765 N TYR A 50 1.729 0.104 6.461 1.00 0.00 N ATOM 766 CA TYR A 50 2.871 0.999 6.366 1.00 0.00 C ATOM 767 C TYR A 50 3.825 0.554 5.256 1.00 0.00 C ATOM 768 O TYR A 50 4.105 -0.635 5.113 1.00 0.00 O ATOM 769 CB TYR A 50 3.593 0.904 7.711 1.00 0.00 C ATOM 770 CG TYR A 50 3.213 2.008 8.701 1.00 0.00 C ATOM 771 CD1 TYR A 50 3.548 3.320 8.433 1.00 0.00 C ATOM 772 CD2 TYR A 50 2.535 1.691 9.860 1.00 0.00 C ATOM 773 CE1 TYR A 50 3.190 4.358 9.364 1.00 0.00 C ATOM 774 CE2 TYR A 50 2.177 2.730 10.791 1.00 0.00 C ATOM 775 CZ TYR A 50 2.522 4.012 10.498 1.00 0.00 C ATOM 776 OH TYR A 50 2.184 4.993 11.377 1.00 0.00 O ATOM 0 H TYR A 50 1.967 -0.884 6.544 1.00 0.00 H new ATOM 0 HA TYR A 50 2.546 2.014 6.136 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.375 -0.064 8.161 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.669 0.940 7.538 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.078 3.568 7.525 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.273 0.664 10.069 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.446 5.389 9.167 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.646 2.496 11.702 1.00 0.00 H new ATOM 0 HH TYR A 50 2.243 5.865 10.933 1.00 0.00 H new ATOM 786 N ILE A 51 4.298 1.533 4.498 1.00 0.00 N ATOM 787 CA ILE A 51 5.214 1.257 3.405 1.00 0.00 C ATOM 788 C ILE A 51 6.501 2.058 3.611 1.00 0.00 C ATOM 789 O ILE A 51 6.463 3.282 3.728 1.00 0.00 O ATOM 790 CB ILE A 51 4.536 1.517 2.059 1.00 0.00 C ATOM 791 CG1 ILE A 51 3.074 1.069 2.086 1.00 0.00 C ATOM 792 CG2 ILE A 51 5.316 0.861 0.917 1.00 0.00 C ATOM 793 CD1 ILE A 51 2.359 1.452 0.788 1.00 0.00 C ATOM 0 H ILE A 51 4.064 2.518 4.620 1.00 0.00 H new ATOM 0 HA ILE A 51 5.492 0.203 3.397 1.00 0.00 H new ATOM 0 HB ILE A 51 4.540 2.592 1.876 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.023 -0.010 2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.565 1.527 2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.813 1.061 -0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.326 1.270 0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.365 -0.215 1.081 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.321 1.122 0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.390 2.534 0.661 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.856 0.973 -0.056 1.00 0.00 H new ATOM 805 N LYS A 52 7.611 1.335 3.648 1.00 0.00 N ATOM 806 CA LYS A 52 8.908 1.964 3.837 1.00 0.00 C ATOM 807 C LYS A 52 9.942 1.266 2.951 1.00 0.00 C ATOM 808 O LYS A 52 9.812 0.079 2.657 1.00 0.00 O ATOM 809 CB LYS A 52 9.282 1.984 5.321 1.00 0.00 C ATOM 810 CG LYS A 52 10.777 2.254 5.505 1.00 0.00 C ATOM 811 CD LYS A 52 11.086 2.661 6.947 1.00 0.00 C ATOM 812 CE LYS A 52 11.097 1.441 7.871 1.00 0.00 C ATOM 813 NZ LYS A 52 11.849 1.736 9.111 1.00 0.00 N ATOM 0 H LYS A 52 7.639 0.320 3.550 1.00 0.00 H new ATOM 0 HA LYS A 52 8.875 3.008 3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.704 2.752 5.835 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.022 1.029 5.778 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.346 1.362 5.245 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.094 3.044 4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.053 3.161 6.988 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.342 3.378 7.294 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.074 1.156 8.118 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.550 0.593 7.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.861 0.892 9.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.825 2.003 8.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.390 2.520 9.617 1.00 0.00 H new ATOM 827 N SER A 53 10.945 2.033 2.552 1.00 0.00 N ATOM 828 CA SER A 53 12.001 1.504 1.706 1.00 0.00 C ATOM 829 C SER A 53 12.998 0.706 2.549 1.00 0.00 C ATOM 830 O SER A 53 13.483 1.194 3.569 1.00 0.00 O ATOM 831 CB SER A 53 12.720 2.626 0.955 1.00 0.00 C ATOM 832 OG SER A 53 12.404 2.627 -0.435 1.00 0.00 O ATOM 0 H SER A 53 11.049 3.017 2.799 1.00 0.00 H new ATOM 0 HA SER A 53 11.548 0.842 0.968 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.445 3.587 1.390 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.797 2.515 1.082 1.00 0.00 H new ATOM 0 HG SER A 53 12.882 3.359 -0.879 1.00 0.00 H new ATOM 838 N THR A 54 13.273 -0.507 2.093 1.00 0.00 N ATOM 839 CA THR A 54 14.203 -1.377 2.793 1.00 0.00 C ATOM 840 C THR A 54 15.643 -1.051 2.393 1.00 0.00 C ATOM 841 O THR A 54 16.584 -1.659 2.898 1.00 0.00 O ATOM 842 CB THR A 54 13.804 -2.825 2.504 1.00 0.00 C ATOM 843 OG1 THR A 54 14.085 -2.992 1.117 1.00 0.00 O ATOM 844 CG2 THR A 54 12.294 -3.050 2.608 1.00 0.00 C ATOM 0 H THR A 54 12.868 -0.908 1.247 1.00 0.00 H new ATOM 0 HA THR A 54 14.156 -1.221 3.871 1.00 0.00 H new ATOM 0 HB THR A 54 14.318 -3.488 3.200 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.317 -2.688 0.589 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.066 -4.094 2.393 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.958 -2.805 3.616 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.781 -2.411 1.889 1.00 0.00 H new ATOM 852 N GLU A 55 15.768 -0.091 1.488 1.00 0.00 N ATOM 853 CA GLU A 55 17.078 0.323 1.014 1.00 0.00 C ATOM 854 C GLU A 55 17.527 1.594 1.738 1.00 0.00 C ATOM 855 O GLU A 55 18.569 1.605 2.392 1.00 0.00 O ATOM 856 CB GLU A 55 17.072 0.530 -0.502 1.00 0.00 C ATOM 857 CG GLU A 55 18.461 0.927 -1.007 1.00 0.00 C ATOM 858 CD GLU A 55 19.251 -0.303 -1.461 1.00 0.00 C ATOM 859 OE1 GLU A 55 19.109 -1.348 -0.790 1.00 0.00 O ATOM 860 OE2 GLU A 55 19.979 -0.169 -2.468 1.00 0.00 O ATOM 0 H GLU A 55 14.985 0.412 1.071 1.00 0.00 H new ATOM 0 HA GLU A 55 17.791 -0.471 1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.750 -0.386 -0.996 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.351 1.304 -0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 55 18.364 1.628 -1.836 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.006 1.442 -0.216 1.00 0.00 H new ATOM 867 N THR A 56 16.719 2.634 1.598 1.00 0.00 N ATOM 868 CA THR A 56 17.020 3.907 2.231 1.00 0.00 C ATOM 869 C THR A 56 16.567 3.897 3.692 1.00 0.00 C ATOM 870 O THR A 56 17.347 4.210 4.590 1.00 0.00 O ATOM 871 CB THR A 56 16.368 5.014 1.400 1.00 0.00 C ATOM 872 OG1 THR A 56 15.003 4.616 1.302 1.00 0.00 O ATOM 873 CG2 THR A 56 16.858 5.025 -0.049 1.00 0.00 C ATOM 0 H THR A 56 15.856 2.621 1.055 1.00 0.00 H new ATOM 0 HA THR A 56 18.094 4.091 2.258 1.00 0.00 H new ATOM 0 HB THR A 56 16.573 5.981 1.859 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.506 5.279 0.780 1.00 0.00 H new ATOM 0 HG21 THR A 56 16.364 5.829 -0.594 1.00 0.00 H new ATOM 0 HG22 THR A 56 17.936 5.183 -0.067 1.00 0.00 H new ATOM 0 HG23 THR A 56 16.623 4.070 -0.520 1.00 0.00 H new ATOM 881 N GLY A 57 15.308 3.533 3.885 1.00 0.00 N ATOM 882 CA GLY A 57 14.741 3.478 5.222 1.00 0.00 C ATOM 883 C GLY A 57 13.801 4.660 5.468 1.00 0.00 C ATOM 884 O GLY A 57 13.870 5.304 6.514 1.00 0.00 O ATOM 0 H GLY A 57 14.664 3.273 3.138 1.00 0.00 H new ATOM 0 HA2 GLY A 57 14.197 2.543 5.352 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.542 3.486 5.961 1.00 0.00 H new ATOM 888 N GLN A 58 12.945 4.908 4.488 1.00 0.00 N ATOM 889 CA GLN A 58 11.993 6.001 4.586 1.00 0.00 C ATOM 890 C GLN A 58 10.575 5.497 4.308 1.00 0.00 C ATOM 891 O GLN A 58 10.360 4.719 3.379 1.00 0.00 O ATOM 892 CB GLN A 58 12.366 7.140 3.635 1.00 0.00 C ATOM 893 CG GLN A 58 13.883 7.322 3.567 1.00 0.00 C ATOM 894 CD GLN A 58 14.267 8.314 2.467 1.00 0.00 C ATOM 895 OE1 GLN A 58 14.964 9.290 2.691 1.00 0.00 O ATOM 896 NE2 GLN A 58 13.775 8.011 1.269 1.00 0.00 N ATOM 0 H GLN A 58 12.891 4.371 3.622 1.00 0.00 H new ATOM 0 HA GLN A 58 12.025 6.395 5.602 1.00 0.00 H new ATOM 0 HB2 GLN A 58 11.976 6.929 2.639 1.00 0.00 H new ATOM 0 HB3 GLN A 58 11.900 8.066 3.971 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.254 7.678 4.528 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.360 6.361 3.377 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.198 7.178 1.150 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.975 8.611 0.469 1.00 0.00 H new ATOM 905 N TYR A 59 9.645 5.959 5.130 1.00 0.00 N ATOM 906 CA TYR A 59 8.254 5.565 4.984 1.00 0.00 C ATOM 907 C TYR A 59 7.566 6.376 3.884 1.00 0.00 C ATOM 908 O TYR A 59 7.813 7.572 3.743 1.00 0.00 O ATOM 909 CB TYR A 59 7.584 5.876 6.324 1.00 0.00 C ATOM 910 CG TYR A 59 8.378 5.399 7.542 1.00 0.00 C ATOM 911 CD1 TYR A 59 8.202 4.117 8.022 1.00 0.00 C ATOM 912 CD2 TYR A 59 9.271 6.251 8.160 1.00 0.00 C ATOM 913 CE1 TYR A 59 8.950 3.668 9.168 1.00 0.00 C ATOM 914 CE2 TYR A 59 10.018 5.802 9.307 1.00 0.00 C ATOM 915 CZ TYR A 59 9.821 4.533 9.754 1.00 0.00 C ATOM 916 OH TYR A 59 10.526 4.109 10.836 1.00 0.00 O ATOM 0 H TYR A 59 9.827 6.603 5.900 1.00 0.00 H new ATOM 0 HA TYR A 59 8.181 4.511 4.714 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.432 6.953 6.401 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.598 5.412 6.342 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.503 3.450 7.538 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.410 7.254 7.784 1.00 0.00 H new ATOM 0 HE1 TYR A 59 8.822 2.667 9.553 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.719 6.459 9.801 1.00 0.00 H new ATOM 0 HH TYR A 59 11.109 4.831 11.150 1.00 0.00 H new ATOM 926 N LEU A 60 6.717 5.691 3.131 1.00 0.00 N ATOM 927 CA LEU A 60 5.993 6.333 2.048 1.00 0.00 C ATOM 928 C LEU A 60 4.839 7.154 2.627 1.00 0.00 C ATOM 929 O LEU A 60 3.917 6.600 3.225 1.00 0.00 O ATOM 930 CB LEU A 60 5.550 5.297 1.012 1.00 0.00 C ATOM 931 CG LEU A 60 4.651 5.815 -0.113 1.00 0.00 C ATOM 932 CD1 LEU A 60 5.479 6.234 -1.329 1.00 0.00 C ATOM 933 CD2 LEU A 60 3.580 4.785 -0.476 1.00 0.00 C ATOM 0 H LEU A 60 6.515 4.698 3.250 1.00 0.00 H new ATOM 0 HA LEU A 60 6.643 7.027 1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.441 4.856 0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.024 4.496 1.531 1.00 0.00 H new ATOM 0 HG LEU A 60 4.134 6.705 0.245 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.815 6.598 -2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.171 7.026 -1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.042 5.377 -1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.955 5.178 -1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.059 3.864 -0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.962 4.579 0.398 1.00 0.00 H new ATOM 945 N ALA A 61 4.928 8.461 2.431 1.00 0.00 N ATOM 946 CA ALA A 61 3.903 9.364 2.927 1.00 0.00 C ATOM 947 C ALA A 61 3.503 10.335 1.814 1.00 0.00 C ATOM 948 O ALA A 61 4.298 10.620 0.919 1.00 0.00 O ATOM 949 CB ALA A 61 4.418 10.085 4.174 1.00 0.00 C ATOM 0 H ALA A 61 5.694 8.917 1.935 1.00 0.00 H new ATOM 0 HA ALA A 61 3.010 8.810 3.217 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.649 10.762 4.546 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.660 9.352 4.944 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.312 10.655 3.922 1.00 0.00 H new ATOM 955 N MET A 62 2.273 10.818 1.908 1.00 0.00 N ATOM 956 CA MET A 62 1.759 11.752 0.920 1.00 0.00 C ATOM 957 C MET A 62 1.682 13.169 1.493 1.00 0.00 C ATOM 958 O MET A 62 1.238 13.361 2.624 1.00 0.00 O ATOM 959 CB MET A 62 0.365 11.306 0.473 1.00 0.00 C ATOM 960 CG MET A 62 -0.229 12.293 -0.534 1.00 0.00 C ATOM 961 SD MET A 62 0.135 11.762 -2.198 1.00 0.00 S ATOM 962 CE MET A 62 -0.730 10.201 -2.222 1.00 0.00 C ATOM 0 H MET A 62 1.617 10.581 2.652 1.00 0.00 H new ATOM 0 HA MET A 62 2.438 11.761 0.068 1.00 0.00 H new ATOM 0 HB2 MET A 62 0.423 10.314 0.025 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.291 11.226 1.340 1.00 0.00 H new ATOM 0 HG2 MET A 62 -1.308 12.363 -0.394 1.00 0.00 H new ATOM 0 HG3 MET A 62 0.180 13.289 -0.364 1.00 0.00 H new ATOM 0 HE1 MET A 62 -0.504 9.674 -3.149 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.411 9.595 -1.374 1.00 0.00 H new ATOM 0 HE3 MET A 62 -1.803 10.379 -2.158 1.00 0.00 H new ATOM 972 N ASP A 63 2.121 14.123 0.686 1.00 0.00 N ATOM 973 CA ASP A 63 2.108 15.517 1.099 1.00 0.00 C ATOM 974 C ASP A 63 0.780 16.154 0.685 1.00 0.00 C ATOM 975 O ASP A 63 -0.131 15.461 0.233 1.00 0.00 O ATOM 976 CB ASP A 63 3.238 16.300 0.428 1.00 0.00 C ATOM 977 CG ASP A 63 4.443 16.593 1.325 1.00 0.00 C ATOM 978 OD1 ASP A 63 4.206 16.878 2.518 1.00 0.00 O ATOM 979 OD2 ASP A 63 5.573 16.524 0.796 1.00 0.00 O ATOM 0 H ASP A 63 2.488 13.959 -0.251 1.00 0.00 H new ATOM 0 HA ASP A 63 2.239 15.550 2.181 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.580 15.741 -0.443 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.837 17.246 0.063 1.00 0.00 H new ATOM 984 N THR A 64 0.712 17.466 0.854 1.00 0.00 N ATOM 985 CA THR A 64 -0.490 18.205 0.504 1.00 0.00 C ATOM 986 C THR A 64 -0.532 18.471 -1.002 1.00 0.00 C ATOM 987 O THR A 64 -1.609 18.592 -1.585 1.00 0.00 O ATOM 988 CB THR A 64 -0.524 19.480 1.347 1.00 0.00 C ATOM 989 OG1 THR A 64 0.423 20.339 0.717 1.00 0.00 O ATOM 990 CG2 THR A 64 0.043 19.268 2.753 1.00 0.00 C ATOM 0 H THR A 64 1.470 18.037 1.229 1.00 0.00 H new ATOM 0 HA THR A 64 -1.388 17.628 0.726 1.00 0.00 H new ATOM 0 HB THR A 64 -1.551 19.839 1.420 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.463 21.191 1.199 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.005 20.204 3.309 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.542 18.508 3.271 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.080 18.941 2.681 1.00 0.00 H new ATOM 998 N ASP A 65 0.653 18.554 -1.590 1.00 0.00 N ATOM 999 CA ASP A 65 0.765 18.803 -3.017 1.00 0.00 C ATOM 1000 C ASP A 65 0.229 17.593 -3.785 1.00 0.00 C ATOM 1001 O ASP A 65 0.062 17.651 -5.002 1.00 0.00 O ATOM 1002 CB ASP A 65 2.224 19.015 -3.426 1.00 0.00 C ATOM 1003 CG ASP A 65 2.938 20.160 -2.704 1.00 0.00 C ATOM 1004 OD1 ASP A 65 2.367 20.642 -1.702 1.00 0.00 O ATOM 1005 OD2 ASP A 65 4.038 20.526 -3.171 1.00 0.00 O ATOM 0 H ASP A 65 1.544 18.453 -1.104 1.00 0.00 H new ATOM 0 HA ASP A 65 0.192 19.700 -3.249 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.774 18.092 -3.245 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.261 19.203 -4.499 1.00 0.00 H new ATOM 1010 N GLY A 66 -0.025 16.526 -3.042 1.00 0.00 N ATOM 1011 CA GLY A 66 -0.538 15.304 -3.639 1.00 0.00 C ATOM 1012 C GLY A 66 0.605 14.398 -4.102 1.00 0.00 C ATOM 1013 O GLY A 66 0.368 13.297 -4.596 1.00 0.00 O ATOM 0 H GLY A 66 0.115 16.482 -2.033 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.157 14.774 -2.915 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.178 15.550 -4.486 1.00 0.00 H new ATOM 1017 N LEU A 67 1.820 14.895 -3.925 1.00 0.00 N ATOM 1018 CA LEU A 67 3.001 14.144 -4.318 1.00 0.00 C ATOM 1019 C LEU A 67 3.407 13.207 -3.179 1.00 0.00 C ATOM 1020 O LEU A 67 3.085 13.459 -2.019 1.00 0.00 O ATOM 1021 CB LEU A 67 4.116 15.093 -4.762 1.00 0.00 C ATOM 1022 CG LEU A 67 3.852 15.885 -6.043 1.00 0.00 C ATOM 1023 CD1 LEU A 67 2.844 15.162 -6.938 1.00 0.00 C ATOM 1024 CD2 LEU A 67 3.411 17.315 -5.723 1.00 0.00 C ATOM 0 H LEU A 67 2.013 15.809 -3.515 1.00 0.00 H new ATOM 0 HA LEU A 67 2.784 13.518 -5.183 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.307 15.800 -3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.028 14.511 -4.899 1.00 0.00 H new ATOM 0 HG LEU A 67 4.786 15.953 -6.600 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.675 15.747 -7.842 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.235 14.181 -7.209 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.902 15.042 -6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.230 17.856 -6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.495 17.290 -5.133 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.194 17.819 -5.156 1.00 0.00 H new ATOM 1036 N LEU A 68 4.108 12.146 -3.550 1.00 0.00 N ATOM 1037 CA LEU A 68 4.561 11.170 -2.573 1.00 0.00 C ATOM 1038 C LEU A 68 6.003 11.488 -2.172 1.00 0.00 C ATOM 1039 O LEU A 68 6.817 11.864 -3.015 1.00 0.00 O ATOM 1040 CB LEU A 68 4.371 9.749 -3.107 1.00 0.00 C ATOM 1041 CG LEU A 68 2.923 9.289 -3.289 1.00 0.00 C ATOM 1042 CD1 LEU A 68 2.821 8.216 -4.375 1.00 0.00 C ATOM 1043 CD2 LEU A 68 2.327 8.819 -1.961 1.00 0.00 C ATOM 0 H LEU A 68 4.373 11.941 -4.513 1.00 0.00 H new ATOM 0 HA LEU A 68 3.957 11.229 -1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.879 9.672 -4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.868 9.057 -2.427 1.00 0.00 H new ATOM 0 HG LEU A 68 2.333 10.142 -3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.782 7.907 -4.484 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.181 8.621 -5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.428 7.355 -4.094 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.297 8.497 -2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.913 7.985 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.346 9.639 -1.243 1.00 0.00 H new ATOM 1055 N TYR A 69 6.276 11.326 -0.886 1.00 0.00 N ATOM 1056 CA TYR A 69 7.605 11.592 -0.363 1.00 0.00 C ATOM 1057 C TYR A 69 7.923 10.673 0.818 1.00 0.00 C ATOM 1058 O TYR A 69 7.022 10.254 1.543 1.00 0.00 O ATOM 1059 CB TYR A 69 7.585 13.042 0.125 1.00 0.00 C ATOM 1060 CG TYR A 69 6.819 13.247 1.433 1.00 0.00 C ATOM 1061 CD1 TYR A 69 7.314 12.727 2.612 1.00 0.00 C ATOM 1062 CD2 TYR A 69 5.633 13.953 1.435 1.00 0.00 C ATOM 1063 CE1 TYR A 69 6.593 12.920 3.843 1.00 0.00 C ATOM 1064 CE2 TYR A 69 4.912 14.147 2.667 1.00 0.00 C ATOM 1065 CZ TYR A 69 5.428 13.621 3.810 1.00 0.00 C ATOM 1066 OH TYR A 69 4.747 13.803 4.973 1.00 0.00 O ATOM 0 H TYR A 69 5.599 11.014 -0.190 1.00 0.00 H new ATOM 0 HA TYR A 69 8.360 11.420 -1.130 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.611 13.384 0.259 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.139 13.669 -0.647 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.242 12.175 2.611 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.245 14.360 0.513 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.969 12.517 4.772 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.983 14.698 2.683 1.00 0.00 H new ATOM 0 HH TYR A 69 3.934 14.322 4.798 1.00 0.00 H new ATOM 1076 N GLY A 70 9.208 10.388 0.976 1.00 0.00 N ATOM 1077 CA GLY A 70 9.656 9.526 2.057 1.00 0.00 C ATOM 1078 C GLY A 70 9.942 10.338 3.321 1.00 0.00 C ATOM 1079 O GLY A 70 10.687 11.316 3.280 1.00 0.00 O ATOM 0 H GLY A 70 9.953 10.739 0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.895 8.775 2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.556 8.992 1.752 1.00 0.00 H new ATOM 1083 N SER A 71 9.335 9.903 4.416 1.00 0.00 N ATOM 1084 CA SER A 71 9.516 10.577 5.690 1.00 0.00 C ATOM 1085 C SER A 71 10.648 9.914 6.477 1.00 0.00 C ATOM 1086 O SER A 71 10.769 8.690 6.486 1.00 0.00 O ATOM 1087 CB SER A 71 8.223 10.563 6.508 1.00 0.00 C ATOM 1088 OG SER A 71 8.255 11.509 7.573 1.00 0.00 O ATOM 0 H SER A 71 8.717 9.092 4.447 1.00 0.00 H new ATOM 0 HA SER A 71 9.779 11.616 5.493 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.378 10.781 5.855 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.062 9.565 6.915 1.00 0.00 H new ATOM 0 HG SER A 71 8.279 11.035 8.431 1.00 0.00 H new ATOM 1094 N GLN A 72 11.449 10.752 7.118 1.00 0.00 N ATOM 1095 CA GLN A 72 12.568 10.262 7.906 1.00 0.00 C ATOM 1096 C GLN A 72 12.063 9.417 9.077 1.00 0.00 C ATOM 1097 O GLN A 72 12.680 8.415 9.436 1.00 0.00 O ATOM 1098 CB GLN A 72 13.438 11.420 8.401 1.00 0.00 C ATOM 1099 CG GLN A 72 14.823 10.924 8.820 1.00 0.00 C ATOM 1100 CD GLN A 72 15.925 11.792 8.209 1.00 0.00 C ATOM 1101 OE1 GLN A 72 15.810 13.002 8.103 1.00 0.00 O ATOM 1102 NE2 GLN A 72 16.996 11.109 7.814 1.00 0.00 N ATOM 0 H GLN A 72 11.346 11.767 7.108 1.00 0.00 H new ATOM 0 HA GLN A 72 13.188 9.631 7.269 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.538 12.167 7.614 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.952 11.910 9.245 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.905 10.938 9.907 1.00 0.00 H new ATOM 0 HG3 GLN A 72 14.953 9.889 8.504 1.00 0.00 H new ATOM 0 HE21 GLN A 72 17.027 10.096 7.932 1.00 0.00 H new ATOM 0 HE22 GLN A 72 17.786 11.598 7.393 1.00 0.00 H new ATOM 1111 N THR A 73 10.945 9.852 9.641 1.00 0.00 N ATOM 1112 CA THR A 73 10.351 9.147 10.764 1.00 0.00 C ATOM 1113 C THR A 73 8.939 8.676 10.410 1.00 0.00 C ATOM 1114 O THR A 73 8.312 9.210 9.496 1.00 0.00 O ATOM 1115 CB THR A 73 10.395 10.074 11.980 1.00 0.00 C ATOM 1116 OG1 THR A 73 10.045 11.352 11.456 1.00 0.00 O ATOM 1117 CG2 THR A 73 11.814 10.268 12.517 1.00 0.00 C ATOM 0 H THR A 73 10.436 10.683 9.341 1.00 0.00 H new ATOM 0 HA THR A 73 10.911 8.243 11.005 1.00 0.00 H new ATOM 0 HB THR A 73 9.761 9.668 12.768 1.00 0.00 H new ATOM 0 HG1 THR A 73 10.047 12.014 12.179 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.789 10.934 13.379 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.225 9.304 12.815 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.441 10.705 11.739 1.00 0.00 H new ATOM 1125 N PRO A 74 8.467 7.653 11.172 1.00 0.00 N ATOM 1126 CA PRO A 74 7.140 7.103 10.948 1.00 0.00 C ATOM 1127 C PRO A 74 6.059 8.045 11.482 1.00 0.00 C ATOM 1128 O PRO A 74 5.941 8.239 12.691 1.00 0.00 O ATOM 1129 CB PRO A 74 7.150 5.754 11.648 1.00 0.00 C ATOM 1130 CG PRO A 74 8.314 5.800 12.625 1.00 0.00 C ATOM 1131 CD PRO A 74 9.180 6.995 12.262 1.00 0.00 C ATOM 0 HA PRO A 74 6.906 6.986 9.890 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.209 5.578 12.169 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.274 4.943 10.931 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.950 5.889 13.649 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.894 4.878 12.572 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.307 7.664 13.113 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.177 6.682 11.951 1.00 0.00 H new ATOM 1139 N ASN A 75 5.298 8.606 10.554 1.00 0.00 N ATOM 1140 CA ASN A 75 4.231 9.524 10.916 1.00 0.00 C ATOM 1141 C ASN A 75 2.917 9.039 10.299 1.00 0.00 C ATOM 1142 O ASN A 75 2.924 8.302 9.314 1.00 0.00 O ATOM 1143 CB ASN A 75 4.511 10.931 10.386 1.00 0.00 C ATOM 1144 CG ASN A 75 5.488 11.676 11.298 1.00 0.00 C ATOM 1145 OD1 ASN A 75 5.686 11.331 12.452 1.00 0.00 O ATOM 1146 ND2 ASN A 75 6.085 12.713 10.719 1.00 0.00 N ATOM 0 H ASN A 75 5.399 8.443 9.552 1.00 0.00 H new ATOM 0 HA ASN A 75 4.167 9.555 12.004 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.923 10.869 9.379 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.577 11.489 10.314 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.755 13.275 11.245 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.873 12.947 9.749 1.00 0.00 H new ATOM 1153 N GLU A 76 1.821 9.473 10.904 1.00 0.00 N ATOM 1154 CA GLU A 76 0.502 9.093 10.427 1.00 0.00 C ATOM 1155 C GLU A 76 0.397 9.324 8.918 1.00 0.00 C ATOM 1156 O GLU A 76 -0.300 8.588 8.221 1.00 0.00 O ATOM 1157 CB GLU A 76 -0.593 9.854 11.176 1.00 0.00 C ATOM 1158 CG GLU A 76 -1.431 8.906 12.036 1.00 0.00 C ATOM 1159 CD GLU A 76 -1.722 9.520 13.407 1.00 0.00 C ATOM 1160 OE1 GLU A 76 -2.093 10.714 13.426 1.00 0.00 O ATOM 1161 OE2 GLU A 76 -1.566 8.783 14.404 1.00 0.00 O ATOM 0 H GLU A 76 1.819 10.084 11.721 1.00 0.00 H new ATOM 0 HA GLU A 76 0.358 8.031 10.623 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.142 10.620 11.807 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.237 10.368 10.462 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.369 8.682 11.528 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.903 7.961 12.162 1.00 0.00 H new ATOM 1168 N GLU A 77 1.098 10.350 8.459 1.00 0.00 N ATOM 1169 CA GLU A 77 1.092 10.688 7.046 1.00 0.00 C ATOM 1170 C GLU A 77 1.646 9.525 6.220 1.00 0.00 C ATOM 1171 O GLU A 77 1.442 9.468 5.008 1.00 0.00 O ATOM 1172 CB GLU A 77 1.883 11.972 6.785 1.00 0.00 C ATOM 1173 CG GLU A 77 1.228 13.169 7.476 1.00 0.00 C ATOM 1174 CD GLU A 77 2.158 14.384 7.467 1.00 0.00 C ATOM 1175 OE1 GLU A 77 3.150 14.345 8.227 1.00 0.00 O ATOM 1176 OE2 GLU A 77 1.856 15.324 6.701 1.00 0.00 O ATOM 0 H GLU A 77 1.674 10.958 9.041 1.00 0.00 H new ATOM 0 HA GLU A 77 0.061 10.867 6.740 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.905 11.854 7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.943 12.155 5.712 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.294 13.418 6.972 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.976 12.907 8.504 1.00 0.00 H new ATOM 1183 N CYS A 78 2.336 8.628 6.908 1.00 0.00 N ATOM 1184 CA CYS A 78 2.921 7.470 6.254 1.00 0.00 C ATOM 1185 C CYS A 78 1.950 6.297 6.395 1.00 0.00 C ATOM 1186 O CYS A 78 2.039 5.320 5.653 1.00 0.00 O ATOM 1187 CB CYS A 78 4.303 7.139 6.820 1.00 0.00 C ATOM 1188 SG CYS A 78 5.276 8.674 7.035 1.00 0.00 S ATOM 0 H CYS A 78 2.503 8.680 7.913 1.00 0.00 H new ATOM 0 HA CYS A 78 3.076 7.686 5.197 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.200 6.627 7.777 1.00 0.00 H new ATOM 0 HB3 CYS A 78 4.826 6.458 6.149 1.00 0.00 H new ATOM 0 HG CYS A 78 6.103 8.806 6.041 1.00 0.00 H new ATOM 1194 N LEU A 79 1.045 6.431 7.353 1.00 0.00 N ATOM 1195 CA LEU A 79 0.058 5.394 7.601 1.00 0.00 C ATOM 1196 C LEU A 79 -1.110 5.563 6.627 1.00 0.00 C ATOM 1197 O LEU A 79 -1.775 6.598 6.622 1.00 0.00 O ATOM 1198 CB LEU A 79 -0.364 5.397 9.072 1.00 0.00 C ATOM 1199 CG LEU A 79 -1.097 4.146 9.562 1.00 0.00 C ATOM 1200 CD1 LEU A 79 -0.606 2.899 8.824 1.00 0.00 C ATOM 1201 CD2 LEU A 79 -0.975 3.999 11.080 1.00 0.00 C ATOM 0 H LEU A 79 0.974 7.242 7.967 1.00 0.00 H new ATOM 0 HA LEU A 79 0.487 4.409 7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.527 5.535 9.685 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.006 6.261 9.243 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.157 4.259 9.334 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.143 2.024 9.191 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.787 3.014 7.755 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.462 2.769 8.999 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.504 3.102 11.402 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.077 3.918 11.354 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.410 4.872 11.566 1.00 0.00 H new ATOM 1213 N PHE A 80 -1.323 4.531 5.824 1.00 0.00 N ATOM 1214 CA PHE A 80 -2.398 4.552 4.847 1.00 0.00 C ATOM 1215 C PHE A 80 -3.428 3.459 5.141 1.00 0.00 C ATOM 1216 O PHE A 80 -3.163 2.545 5.921 1.00 0.00 O ATOM 1217 CB PHE A 80 -1.766 4.286 3.480 1.00 0.00 C ATOM 1218 CG PHE A 80 -1.050 5.497 2.879 1.00 0.00 C ATOM 1219 CD1 PHE A 80 -0.085 6.139 3.591 1.00 0.00 C ATOM 1220 CD2 PHE A 80 -1.377 5.931 1.632 1.00 0.00 C ATOM 1221 CE1 PHE A 80 0.579 7.263 3.033 1.00 0.00 C ATOM 1222 CE2 PHE A 80 -0.713 7.055 1.074 1.00 0.00 C ATOM 1223 CZ PHE A 80 0.251 7.698 1.786 1.00 0.00 C ATOM 0 H PHE A 80 -0.769 3.675 5.830 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.910 5.514 4.878 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.054 3.466 3.574 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -2.543 3.957 2.790 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.176 5.794 4.580 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.142 5.420 1.066 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.345 7.773 3.598 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.973 7.399 0.084 1.00 0.00 H new ATOM 0 HZ PHE A 80 0.756 8.553 1.362 1.00 0.00 H new ATOM 1233 N LEU A 81 -4.581 3.589 4.501 1.00 0.00 N ATOM 1234 CA LEU A 81 -5.651 2.624 4.684 1.00 0.00 C ATOM 1235 C LEU A 81 -5.709 1.697 3.469 1.00 0.00 C ATOM 1236 O LEU A 81 -5.821 2.160 2.335 1.00 0.00 O ATOM 1237 CB LEU A 81 -6.972 3.338 4.977 1.00 0.00 C ATOM 1238 CG LEU A 81 -6.925 4.420 6.058 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -8.009 5.474 5.826 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -7.015 3.803 7.455 1.00 0.00 C ATOM 0 H LEU A 81 -4.797 4.348 3.855 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.454 1.997 5.554 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.330 3.791 4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.709 2.590 5.271 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.963 4.928 5.992 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.954 6.231 6.608 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.857 5.944 4.854 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.990 4.999 5.850 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.979 4.593 8.205 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -7.952 3.254 7.551 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.178 3.121 7.606 1.00 0.00 H new ATOM 1252 N GLU A 82 -5.631 0.404 3.747 1.00 0.00 N ATOM 1253 CA GLU A 82 -5.674 -0.593 2.690 1.00 0.00 C ATOM 1254 C GLU A 82 -6.998 -1.358 2.735 1.00 0.00 C ATOM 1255 O GLU A 82 -7.578 -1.540 3.805 1.00 0.00 O ATOM 1256 CB GLU A 82 -4.484 -1.549 2.790 1.00 0.00 C ATOM 1257 CG GLU A 82 -4.737 -2.825 1.984 1.00 0.00 C ATOM 1258 CD GLU A 82 -5.601 -3.810 2.774 1.00 0.00 C ATOM 1259 OE1 GLU A 82 -5.268 -4.034 3.958 1.00 0.00 O ATOM 1260 OE2 GLU A 82 -6.574 -4.317 2.176 1.00 0.00 O ATOM 0 H GLU A 82 -5.538 0.023 4.689 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.606 -0.080 1.730 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.584 -1.055 2.423 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.304 -1.804 3.834 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.231 -2.574 1.045 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.786 -3.293 1.729 1.00 0.00 H new ATOM 1267 N ARG A 83 -7.437 -1.787 1.561 1.00 0.00 N ATOM 1268 CA ARG A 83 -8.682 -2.528 1.453 1.00 0.00 C ATOM 1269 C ARG A 83 -8.690 -3.369 0.175 1.00 0.00 C ATOM 1270 O ARG A 83 -8.114 -2.973 -0.837 1.00 0.00 O ATOM 1271 CB ARG A 83 -9.887 -1.585 1.441 1.00 0.00 C ATOM 1272 CG ARG A 83 -10.653 -1.657 2.764 1.00 0.00 C ATOM 1273 CD ARG A 83 -11.924 -2.496 2.615 1.00 0.00 C ATOM 1274 NE ARG A 83 -13.002 -1.935 3.460 1.00 0.00 N ATOM 1275 CZ ARG A 83 -13.714 -0.845 3.145 1.00 0.00 C ATOM 1276 NH1 ARG A 83 -13.467 -0.191 2.001 1.00 0.00 N ATOM 1277 NH2 ARG A 83 -14.673 -0.408 3.972 1.00 0.00 N ATOM 0 H ARG A 83 -6.953 -1.636 0.676 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.755 -3.181 2.323 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.552 -0.563 1.266 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.551 -1.848 0.617 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.015 -2.090 3.535 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.913 -0.651 3.093 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.239 -2.512 1.572 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.724 -3.528 2.903 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.216 -2.408 4.338 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.737 -0.524 1.371 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -14.009 0.639 1.761 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -14.861 -0.905 4.842 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.215 0.422 3.731 1.00 0.00 H new ATOM 1291 N LEU A 84 -9.348 -4.516 0.263 1.00 0.00 N ATOM 1292 CA LEU A 84 -9.439 -5.416 -0.874 1.00 0.00 C ATOM 1293 C LEU A 84 -10.711 -5.106 -1.665 1.00 0.00 C ATOM 1294 O LEU A 84 -11.815 -5.400 -1.212 1.00 0.00 O ATOM 1295 CB LEU A 84 -9.341 -6.872 -0.413 1.00 0.00 C ATOM 1296 CG LEU A 84 -9.031 -7.901 -1.502 1.00 0.00 C ATOM 1297 CD1 LEU A 84 -8.324 -9.124 -0.916 1.00 0.00 C ATOM 1298 CD2 LEU A 84 -10.298 -8.285 -2.270 1.00 0.00 C ATOM 0 H LEU A 84 -9.823 -4.843 1.104 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.598 -5.262 -1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.568 -6.939 0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.283 -7.147 0.061 1.00 0.00 H new ATOM 0 HG LEU A 84 -8.346 -7.445 -2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.115 -9.839 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.388 -8.815 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.964 -9.590 -0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.050 -9.018 -3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -11.025 -8.714 -1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.722 -7.397 -2.739 1.00 0.00 H new ATOM 1310 N GLU A 85 -10.512 -4.515 -2.834 1.00 0.00 N ATOM 1311 CA GLU A 85 -11.629 -4.161 -3.693 1.00 0.00 C ATOM 1312 C GLU A 85 -11.714 -5.125 -4.878 1.00 0.00 C ATOM 1313 O GLU A 85 -10.769 -5.864 -5.151 1.00 0.00 O ATOM 1314 CB GLU A 85 -11.515 -2.712 -4.173 1.00 0.00 C ATOM 1315 CG GLU A 85 -10.130 -2.437 -4.759 1.00 0.00 C ATOM 1316 CD GLU A 85 -10.231 -1.593 -6.032 1.00 0.00 C ATOM 1317 OE1 GLU A 85 -10.759 -2.132 -7.029 1.00 0.00 O ATOM 1318 OE2 GLU A 85 -9.778 -0.429 -5.979 1.00 0.00 O ATOM 0 H GLU A 85 -9.594 -4.272 -3.206 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.548 -4.246 -3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.278 -2.513 -4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.703 -2.034 -3.341 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.516 -1.919 -4.023 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.632 -3.380 -4.982 1.00 0.00 H new ATOM 1325 N GLU A 86 -12.855 -5.087 -5.550 1.00 0.00 N ATOM 1326 CA GLU A 86 -13.076 -5.949 -6.699 1.00 0.00 C ATOM 1327 C GLU A 86 -11.935 -5.793 -7.706 1.00 0.00 C ATOM 1328 O GLU A 86 -11.035 -4.978 -7.509 1.00 0.00 O ATOM 1329 CB GLU A 86 -14.428 -5.655 -7.353 1.00 0.00 C ATOM 1330 CG GLU A 86 -15.546 -6.458 -6.685 1.00 0.00 C ATOM 1331 CD GLU A 86 -16.846 -6.360 -7.486 1.00 0.00 C ATOM 1332 OE1 GLU A 86 -16.993 -7.166 -8.430 1.00 0.00 O ATOM 1333 OE2 GLU A 86 -17.663 -5.481 -7.137 1.00 0.00 O ATOM 0 H GLU A 86 -13.636 -4.473 -5.321 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.093 -6.983 -6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.647 -4.590 -7.280 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.384 -5.900 -8.414 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.246 -7.502 -6.598 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.710 -6.088 -5.673 1.00 0.00 H new ATOM 1340 N ASN A 87 -12.009 -6.588 -8.764 1.00 0.00 N ATOM 1341 CA ASN A 87 -10.993 -6.549 -9.802 1.00 0.00 C ATOM 1342 C ASN A 87 -9.717 -7.216 -9.286 1.00 0.00 C ATOM 1343 O ASN A 87 -8.696 -7.224 -9.972 1.00 0.00 O ATOM 1344 CB ASN A 87 -10.651 -5.107 -10.184 1.00 0.00 C ATOM 1345 CG ASN A 87 -10.807 -4.887 -11.690 1.00 0.00 C ATOM 1346 OD1 ASN A 87 -11.886 -4.624 -12.197 1.00 0.00 O ATOM 1347 ND2 ASN A 87 -9.674 -5.009 -12.375 1.00 0.00 N ATOM 0 H ASN A 87 -12.757 -7.263 -8.924 1.00 0.00 H new ATOM 0 HA ASN A 87 -11.383 -7.071 -10.676 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.302 -4.420 -9.643 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -9.628 -4.880 -9.884 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -9.674 -4.881 -13.387 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -8.805 -5.231 -11.889 1.00 0.00 H new ATOM 1354 N HIS A 88 -9.817 -7.761 -8.083 1.00 0.00 N ATOM 1355 CA HIS A 88 -8.683 -8.429 -7.467 1.00 0.00 C ATOM 1356 C HIS A 88 -7.483 -7.481 -7.437 1.00 0.00 C ATOM 1357 O HIS A 88 -6.452 -7.758 -8.049 1.00 0.00 O ATOM 1358 CB HIS A 88 -8.378 -9.749 -8.179 1.00 0.00 C ATOM 1359 CG HIS A 88 -9.454 -10.796 -8.018 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -9.754 -11.382 -6.801 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -10.298 -11.355 -8.932 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -10.734 -12.254 -6.986 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -11.070 -12.236 -8.308 1.00 0.00 N ATOM 0 H HIS A 88 -10.666 -7.754 -7.518 1.00 0.00 H new ATOM 0 HA HIS A 88 -8.924 -8.686 -6.436 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -8.233 -9.552 -9.241 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -7.438 -10.147 -7.797 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -10.332 -11.120 -9.986 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -11.187 -12.871 -6.224 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -11.795 -12.806 -8.745 1.00 0.00 H new ATOM 1371 N TYR A 89 -7.656 -6.381 -6.718 1.00 0.00 N ATOM 1372 CA TYR A 89 -6.600 -5.391 -6.599 1.00 0.00 C ATOM 1373 C TYR A 89 -6.597 -4.756 -5.207 1.00 0.00 C ATOM 1374 O TYR A 89 -7.605 -4.790 -4.503 1.00 0.00 O ATOM 1375 CB TYR A 89 -6.915 -4.312 -7.638 1.00 0.00 C ATOM 1376 CG TYR A 89 -6.192 -4.503 -8.972 1.00 0.00 C ATOM 1377 CD1 TYR A 89 -4.873 -4.908 -8.991 1.00 0.00 C ATOM 1378 CD2 TYR A 89 -6.859 -4.269 -10.158 1.00 0.00 C ATOM 1379 CE1 TYR A 89 -4.192 -5.087 -10.247 1.00 0.00 C ATOM 1380 CE2 TYR A 89 -6.178 -4.449 -11.414 1.00 0.00 C ATOM 1381 CZ TYR A 89 -4.878 -4.849 -11.397 1.00 0.00 C ATOM 1382 OH TYR A 89 -4.235 -5.018 -12.583 1.00 0.00 O ATOM 0 H TYR A 89 -8.512 -6.154 -6.212 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.624 -5.851 -6.755 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.990 -4.298 -7.818 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.648 -3.338 -7.228 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.351 -5.091 -8.063 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.891 -3.951 -10.144 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.160 -5.403 -10.275 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.688 -4.270 -12.349 1.00 0.00 H new ATOM 0 HH TYR A 89 -3.409 -5.524 -12.438 1.00 0.00 H new ATOM 1392 N ASN A 90 -5.452 -4.193 -4.851 1.00 0.00 N ATOM 1393 CA ASN A 90 -5.304 -3.552 -3.556 1.00 0.00 C ATOM 1394 C ASN A 90 -5.152 -2.042 -3.753 1.00 0.00 C ATOM 1395 O ASN A 90 -4.600 -1.596 -4.758 1.00 0.00 O ATOM 1396 CB ASN A 90 -4.058 -4.061 -2.828 1.00 0.00 C ATOM 1397 CG ASN A 90 -4.055 -5.589 -2.749 1.00 0.00 C ATOM 1398 OD1 ASN A 90 -4.169 -6.288 -3.742 1.00 0.00 O ATOM 1399 ND2 ASN A 90 -3.920 -6.066 -1.515 1.00 0.00 N ATOM 0 H ASN A 90 -4.618 -4.168 -5.437 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.188 -3.784 -2.963 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.163 -3.718 -3.348 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.023 -3.641 -1.823 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.907 -7.073 -1.356 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -3.829 -5.424 -0.727 1.00 0.00 H new ATOM 1406 N THR A 91 -5.652 -1.297 -2.778 1.00 0.00 N ATOM 1407 CA THR A 91 -5.579 0.153 -2.832 1.00 0.00 C ATOM 1408 C THR A 91 -5.043 0.710 -1.512 1.00 0.00 C ATOM 1409 O THR A 91 -5.090 0.035 -0.484 1.00 0.00 O ATOM 1410 CB THR A 91 -6.967 0.684 -3.196 1.00 0.00 C ATOM 1411 OG1 THR A 91 -7.843 0.010 -2.295 1.00 0.00 O ATOM 1412 CG2 THR A 91 -7.427 0.221 -4.579 1.00 0.00 C ATOM 0 H THR A 91 -6.109 -1.670 -1.946 1.00 0.00 H new ATOM 0 HA THR A 91 -4.877 0.485 -3.597 1.00 0.00 H new ATOM 0 HB THR A 91 -6.959 1.773 -3.162 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.766 0.296 -2.460 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.417 0.626 -4.787 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.724 0.575 -5.333 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.468 -0.868 -4.603 1.00 0.00 H new ATOM 1420 N TYR A 92 -4.544 1.935 -1.582 1.00 0.00 N ATOM 1421 CA TYR A 92 -4.000 2.590 -0.405 1.00 0.00 C ATOM 1422 C TYR A 92 -4.356 4.078 -0.390 1.00 0.00 C ATOM 1423 O TYR A 92 -4.224 4.762 -1.404 1.00 0.00 O ATOM 1424 CB TYR A 92 -2.480 2.443 -0.506 1.00 0.00 C ATOM 1425 CG TYR A 92 -2.002 0.996 -0.633 1.00 0.00 C ATOM 1426 CD1 TYR A 92 -2.262 0.091 0.376 1.00 0.00 C ATOM 1427 CD2 TYR A 92 -1.310 0.594 -1.758 1.00 0.00 C ATOM 1428 CE1 TYR A 92 -1.812 -1.271 0.256 1.00 0.00 C ATOM 1429 CE2 TYR A 92 -0.860 -0.769 -1.878 1.00 0.00 C ATOM 1430 CZ TYR A 92 -1.133 -1.634 -0.865 1.00 0.00 C ATOM 1431 OH TYR A 92 -0.708 -2.921 -0.979 1.00 0.00 O ATOM 0 H TYR A 92 -4.505 2.491 -2.436 1.00 0.00 H new ATOM 0 HA TYR A 92 -4.405 2.144 0.503 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -2.127 3.008 -1.369 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.023 2.890 0.377 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.803 0.405 1.256 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.106 1.302 -2.548 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.009 -1.989 1.039 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.318 -1.097 -2.753 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.239 -3.036 -1.832 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.801 4.536 0.771 1.00 0.00 N ATOM 1442 CA ILE A 93 -5.178 5.930 0.930 1.00 0.00 C ATOM 1443 C ILE A 93 -4.604 6.462 2.245 1.00 0.00 C ATOM 1444 O ILE A 93 -4.553 5.741 3.241 1.00 0.00 O ATOM 1445 CB ILE A 93 -6.695 6.092 0.811 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -7.166 5.806 -0.616 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -7.138 7.474 1.295 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -8.646 5.416 -0.637 1.00 0.00 C ATOM 0 H ILE A 93 -4.909 3.966 1.610 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.752 6.534 0.128 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.170 5.356 1.460 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.010 6.687 -1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.568 5.002 -1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.220 7.563 1.200 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.854 7.602 2.339 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.656 8.243 0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.956 5.218 -1.663 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.795 4.520 -0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.243 6.232 -0.229 1.00 0.00 H new ATOM 1460 N SER A 94 -4.187 7.718 2.207 1.00 0.00 N ATOM 1461 CA SER A 94 -3.619 8.355 3.383 1.00 0.00 C ATOM 1462 C SER A 94 -4.694 8.521 4.459 1.00 0.00 C ATOM 1463 O SER A 94 -5.830 8.882 4.156 1.00 0.00 O ATOM 1464 CB SER A 94 -3.005 9.711 3.033 1.00 0.00 C ATOM 1465 OG SER A 94 -1.842 9.987 3.809 1.00 0.00 O ATOM 0 H SER A 94 -4.231 8.313 1.380 1.00 0.00 H new ATOM 0 HA SER A 94 -2.824 7.716 3.768 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.747 9.730 1.974 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.744 10.496 3.195 1.00 0.00 H new ATOM 0 HG SER A 94 -1.909 10.887 4.190 1.00 0.00 H new ATOM 1471 N LYS A 95 -4.298 8.249 5.694 1.00 0.00 N ATOM 1472 CA LYS A 95 -5.213 8.364 6.816 1.00 0.00 C ATOM 1473 C LYS A 95 -5.535 9.840 7.057 1.00 0.00 C ATOM 1474 O LYS A 95 -6.698 10.241 7.013 1.00 0.00 O ATOM 1475 CB LYS A 95 -4.646 7.650 8.045 1.00 0.00 C ATOM 1476 CG LYS A 95 -5.524 7.895 9.274 1.00 0.00 C ATOM 1477 CD LYS A 95 -4.901 7.272 10.525 1.00 0.00 C ATOM 1478 CE LYS A 95 -5.974 6.650 11.421 1.00 0.00 C ATOM 1479 NZ LYS A 95 -5.386 6.209 12.705 1.00 0.00 N ATOM 0 H LYS A 95 -3.355 7.949 5.942 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.155 7.864 6.592 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -4.578 6.580 7.849 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.633 8.003 8.241 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.655 8.967 9.424 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -6.515 7.472 9.108 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.178 6.510 10.234 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.355 8.034 11.081 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.766 7.376 11.607 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.432 5.801 10.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.070 6.367 13.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.154 5.197 12.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.520 6.753 12.895 1.00 0.00 H new ATOM 1493 N LYS A 96 -4.485 10.610 7.305 1.00 0.00 N ATOM 1494 CA LYS A 96 -4.642 12.033 7.553 1.00 0.00 C ATOM 1495 C LYS A 96 -5.348 12.679 6.359 1.00 0.00 C ATOM 1496 O LYS A 96 -5.979 13.725 6.498 1.00 0.00 O ATOM 1497 CB LYS A 96 -3.292 12.670 7.888 1.00 0.00 C ATOM 1498 CG LYS A 96 -3.459 13.808 8.897 1.00 0.00 C ATOM 1499 CD LYS A 96 -2.187 14.654 8.985 1.00 0.00 C ATOM 1500 CE LYS A 96 -2.138 15.436 10.299 1.00 0.00 C ATOM 1501 NZ LYS A 96 -0.793 16.019 10.505 1.00 0.00 N ATOM 0 H LYS A 96 -3.522 10.275 7.339 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.273 12.201 8.426 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.620 11.914 8.295 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.830 13.051 6.978 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -4.299 14.438 8.605 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.695 13.397 9.878 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.311 14.009 8.909 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.148 15.346 8.144 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -2.886 16.228 10.286 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -2.387 14.777 11.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.777 16.546 11.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.086 15.257 10.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.570 16.664 9.720 1.00 0.00 H new ATOM 1515 N HIS A 97 -5.216 12.029 5.212 1.00 0.00 N ATOM 1516 CA HIS A 97 -5.833 12.527 3.994 1.00 0.00 C ATOM 1517 C HIS A 97 -6.778 11.466 3.426 1.00 0.00 C ATOM 1518 O HIS A 97 -6.775 11.208 2.223 1.00 0.00 O ATOM 1519 CB HIS A 97 -4.769 12.973 2.989 1.00 0.00 C ATOM 1520 CG HIS A 97 -3.508 13.506 3.626 1.00 0.00 C ATOM 1521 ND1 HIS A 97 -2.750 13.016 4.649 1.00 0.00 N flip ATOM 1522 CD2 HIS A 97 -2.898 14.678 3.214 1.00 0.00 C flip ATOM 1523 CE1 HIS A 97 -1.731 13.843 4.849 1.00 0.00 C flip ATOM 1524 NE2 HIS A 97 -1.821 14.874 3.961 1.00 0.00 N flip ATOM 0 H HIS A 97 -4.691 11.162 5.100 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.429 13.411 4.220 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -4.512 12.129 2.349 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -5.192 13.744 2.345 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -3.241 15.323 2.419 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -0.958 13.720 5.593 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -1.173 15.658 3.885 1.00 0.00 H new ATOM 1532 N ALA A 98 -7.562 10.880 4.318 1.00 0.00 N ATOM 1533 CA ALA A 98 -8.510 9.853 3.921 1.00 0.00 C ATOM 1534 C ALA A 98 -9.735 10.513 3.285 1.00 0.00 C ATOM 1535 O ALA A 98 -10.222 10.060 2.251 1.00 0.00 O ATOM 1536 CB ALA A 98 -8.874 8.996 5.135 1.00 0.00 C ATOM 0 H ALA A 98 -7.560 11.097 5.315 1.00 0.00 H new ATOM 0 HA ALA A 98 -8.068 9.191 3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.585 8.226 4.837 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.974 8.525 5.531 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -9.322 9.626 5.904 1.00 0.00 H new ATOM 1542 N GLU A 99 -10.197 11.574 3.931 1.00 0.00 N ATOM 1543 CA GLU A 99 -11.356 12.301 3.441 1.00 0.00 C ATOM 1544 C GLU A 99 -11.017 13.024 2.136 1.00 0.00 C ATOM 1545 O GLU A 99 -11.909 13.369 1.363 1.00 0.00 O ATOM 1546 CB GLU A 99 -11.871 13.284 4.495 1.00 0.00 C ATOM 1547 CG GLU A 99 -12.961 12.642 5.357 1.00 0.00 C ATOM 1548 CD GLU A 99 -13.836 13.709 6.018 1.00 0.00 C ATOM 1549 OE1 GLU A 99 -14.549 14.406 5.263 1.00 0.00 O ATOM 1550 OE2 GLU A 99 -13.773 13.803 7.263 1.00 0.00 O ATOM 0 H GLU A 99 -9.790 11.947 4.789 1.00 0.00 H new ATOM 0 HA GLU A 99 -12.152 11.584 3.239 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -11.046 13.609 5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -12.267 14.174 4.005 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -13.580 11.990 4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.503 12.017 6.123 1.00 0.00 H new ATOM 1557 N LYS A 100 -9.724 13.233 1.932 1.00 0.00 N ATOM 1558 CA LYS A 100 -9.256 13.909 0.734 1.00 0.00 C ATOM 1559 C LYS A 100 -9.358 12.955 -0.458 1.00 0.00 C ATOM 1560 O LYS A 100 -9.219 13.373 -1.606 1.00 0.00 O ATOM 1561 CB LYS A 100 -7.851 14.473 0.952 1.00 0.00 C ATOM 1562 CG LYS A 100 -7.821 15.421 2.152 1.00 0.00 C ATOM 1563 CD LYS A 100 -7.236 16.781 1.763 1.00 0.00 C ATOM 1564 CE LYS A 100 -8.275 17.636 1.036 1.00 0.00 C ATOM 1565 NZ LYS A 100 -7.709 18.960 0.694 1.00 0.00 N ATOM 0 H LYS A 100 -8.987 12.946 2.576 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.888 14.768 0.510 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.148 13.656 1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.525 15.003 0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.831 15.553 2.541 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.226 14.981 2.953 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.892 17.302 2.656 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.366 16.637 1.123 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.602 17.128 0.129 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.156 17.762 1.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.427 19.528 0.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.419 19.449 1.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.882 18.835 0.076 1.00 0.00 H new ATOM 1579 N ASN A 101 -9.599 11.690 -0.144 1.00 0.00 N ATOM 1580 CA ASN A 101 -9.721 10.673 -1.174 1.00 0.00 C ATOM 1581 C ASN A 101 -8.509 10.749 -2.105 1.00 0.00 C ATOM 1582 O ASN A 101 -8.650 11.040 -3.291 1.00 0.00 O ATOM 1583 CB ASN A 101 -10.979 10.892 -2.018 1.00 0.00 C ATOM 1584 CG ASN A 101 -12.058 11.620 -1.214 1.00 0.00 C ATOM 1585 OD1 ASN A 101 -12.584 11.118 -0.234 1.00 0.00 O ATOM 1586 ND2 ASN A 101 -12.359 12.828 -1.682 1.00 0.00 N ATOM 0 H ASN A 101 -9.713 11.347 0.810 1.00 0.00 H new ATOM 0 HA ASN A 101 -9.780 9.701 -0.683 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -10.729 11.472 -2.906 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -11.362 9.931 -2.362 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -13.068 13.394 -1.215 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -11.881 13.189 -2.507 1.00 0.00 H new ATOM 1593 N TRP A 102 -7.345 10.481 -1.531 1.00 0.00 N ATOM 1594 CA TRP A 102 -6.109 10.515 -2.294 1.00 0.00 C ATOM 1595 C TRP A 102 -5.561 9.088 -2.370 1.00 0.00 C ATOM 1596 O TRP A 102 -5.483 8.394 -1.358 1.00 0.00 O ATOM 1597 CB TRP A 102 -5.115 11.505 -1.684 1.00 0.00 C ATOM 1598 CG TRP A 102 -5.582 12.961 -1.726 1.00 0.00 C ATOM 1599 CD1 TRP A 102 -6.701 13.453 -2.275 1.00 0.00 C ATOM 1600 CD2 TRP A 102 -4.892 14.102 -1.173 1.00 0.00 C ATOM 1601 NE1 TRP A 102 -6.783 14.822 -2.116 1.00 0.00 N ATOM 1602 CE2 TRP A 102 -5.648 15.229 -1.425 1.00 0.00 C ATOM 1603 CE3 TRP A 102 -3.670 14.178 -0.482 1.00 0.00 C ATOM 1604 CZ2 TRP A 102 -5.266 16.514 -1.020 1.00 0.00 C ATOM 1605 CZ3 TRP A 102 -3.303 15.470 -0.085 1.00 0.00 C ATOM 1606 CH2 TRP A 102 -4.052 16.614 -0.330 1.00 0.00 C ATOM 0 H TRP A 102 -7.232 10.239 -0.546 1.00 0.00 H new ATOM 0 HA TRP A 102 -6.291 10.873 -3.307 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -4.928 11.224 -0.648 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -4.165 11.423 -2.213 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -7.445 12.854 -2.779 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.538 15.424 -2.445 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -3.063 13.309 -0.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -5.875 17.381 -1.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.372 15.585 0.450 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -3.699 17.576 0.010 1.00 0.00 H new ATOM 1617 N PHE A 103 -5.196 8.692 -3.581 1.00 0.00 N ATOM 1618 CA PHE A 103 -4.658 7.361 -3.803 1.00 0.00 C ATOM 1619 C PHE A 103 -3.184 7.426 -4.208 1.00 0.00 C ATOM 1620 O PHE A 103 -2.754 8.385 -4.847 1.00 0.00 O ATOM 1621 CB PHE A 103 -5.462 6.738 -4.945 1.00 0.00 C ATOM 1622 CG PHE A 103 -6.939 6.511 -4.615 1.00 0.00 C ATOM 1623 CD1 PHE A 103 -7.830 7.530 -4.745 1.00 0.00 C ATOM 1624 CD2 PHE A 103 -7.361 5.289 -4.192 1.00 0.00 C ATOM 1625 CE1 PHE A 103 -9.200 7.320 -4.439 1.00 0.00 C ATOM 1626 CE2 PHE A 103 -8.732 5.078 -3.886 1.00 0.00 C ATOM 1627 CZ PHE A 103 -9.622 6.098 -4.016 1.00 0.00 C ATOM 0 H PHE A 103 -5.262 9.270 -4.419 1.00 0.00 H new ATOM 0 HA PHE A 103 -4.730 6.773 -2.888 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.391 7.384 -5.820 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.010 5.784 -5.216 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.495 8.500 -5.081 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.654 4.479 -4.089 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.907 8.130 -4.542 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -9.067 4.108 -3.550 1.00 0.00 H new ATOM 0 HZ PHE A 103 -10.664 5.938 -3.783 1.00 0.00 H new ATOM 1637 N VAL A 104 -2.451 6.393 -3.821 1.00 0.00 N ATOM 1638 CA VAL A 104 -1.034 6.320 -4.136 1.00 0.00 C ATOM 1639 C VAL A 104 -0.863 6.023 -5.627 1.00 0.00 C ATOM 1640 O VAL A 104 0.158 6.371 -6.220 1.00 0.00 O ATOM 1641 CB VAL A 104 -0.351 5.287 -3.238 1.00 0.00 C ATOM 1642 CG1 VAL A 104 1.048 4.949 -3.758 1.00 0.00 C ATOM 1643 CG2 VAL A 104 -0.295 5.772 -1.788 1.00 0.00 C ATOM 0 H VAL A 104 -2.812 5.599 -3.292 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.548 7.275 -3.937 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.947 4.375 -3.263 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.512 4.213 -3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.973 4.541 -4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.657 5.853 -3.777 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.195 5.019 -1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 104 0.267 6.704 -1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.308 5.939 -1.421 1.00 0.00 H new ATOM 1653 N GLY A 105 -1.877 5.383 -6.191 1.00 0.00 N ATOM 1654 CA GLY A 105 -1.851 5.036 -7.602 1.00 0.00 C ATOM 1655 C GLY A 105 -1.027 6.048 -8.401 1.00 0.00 C ATOM 1656 O GLY A 105 -1.046 7.241 -8.104 1.00 0.00 O ATOM 0 H GLY A 105 -2.722 5.096 -5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.429 4.039 -7.727 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.869 5.003 -7.991 1.00 0.00 H new ATOM 1660 N LEU A 106 -0.324 5.534 -9.399 1.00 0.00 N ATOM 1661 CA LEU A 106 0.505 6.377 -10.243 1.00 0.00 C ATOM 1662 C LEU A 106 -0.160 6.531 -11.612 1.00 0.00 C ATOM 1663 O LEU A 106 -0.865 5.633 -12.068 1.00 0.00 O ATOM 1664 CB LEU A 106 1.933 5.831 -10.310 1.00 0.00 C ATOM 1665 CG LEU A 106 2.581 5.482 -8.969 1.00 0.00 C ATOM 1666 CD1 LEU A 106 3.261 4.113 -9.028 1.00 0.00 C ATOM 1667 CD2 LEU A 106 3.547 6.583 -8.524 1.00 0.00 C ATOM 0 H LEU A 106 -0.311 4.544 -9.642 1.00 0.00 H new ATOM 0 HA LEU A 106 0.591 7.376 -9.816 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.930 4.937 -10.933 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.559 6.568 -10.813 1.00 0.00 H new ATOM 0 HG LEU A 106 1.795 5.419 -8.216 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.714 3.890 -8.062 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.521 3.349 -9.267 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.034 4.123 -9.797 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.994 6.310 -7.568 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.332 6.702 -9.271 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.004 7.522 -8.416 1.00 0.00 H new ATOM 1679 N LYS A 107 0.090 7.677 -12.230 1.00 0.00 N ATOM 1680 CA LYS A 107 -0.476 7.960 -13.538 1.00 0.00 C ATOM 1681 C LYS A 107 -0.097 6.838 -14.506 1.00 0.00 C ATOM 1682 O LYS A 107 0.446 5.814 -14.094 1.00 0.00 O ATOM 1683 CB LYS A 107 -0.054 9.351 -14.014 1.00 0.00 C ATOM 1684 CG LYS A 107 -0.870 10.441 -13.315 1.00 0.00 C ATOM 1685 CD LYS A 107 -1.250 11.554 -14.293 1.00 0.00 C ATOM 1686 CE LYS A 107 -2.759 11.571 -14.546 1.00 0.00 C ATOM 1687 NZ LYS A 107 -3.091 12.514 -15.637 1.00 0.00 N ATOM 0 H LYS A 107 0.676 8.419 -11.849 1.00 0.00 H new ATOM 0 HA LYS A 107 -1.565 7.983 -13.486 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.007 9.501 -13.814 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.189 9.426 -15.093 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.772 10.006 -12.886 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.294 10.859 -12.489 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.934 12.518 -13.893 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -0.721 11.411 -15.235 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.101 10.569 -14.806 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.283 11.860 -13.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.119 12.513 -15.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.782 13.472 -15.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.606 12.221 -16.509 1.00 0.00 H new ATOM 1701 N LYS A 108 -0.398 7.068 -15.776 1.00 0.00 N ATOM 1702 CA LYS A 108 -0.095 6.089 -16.806 1.00 0.00 C ATOM 1703 C LYS A 108 1.118 6.560 -17.611 1.00 0.00 C ATOM 1704 O LYS A 108 1.658 5.810 -18.423 1.00 0.00 O ATOM 1705 CB LYS A 108 -1.332 5.814 -17.663 1.00 0.00 C ATOM 1706 CG LYS A 108 -1.755 4.347 -17.561 1.00 0.00 C ATOM 1707 CD LYS A 108 -2.288 3.835 -18.901 1.00 0.00 C ATOM 1708 CE LYS A 108 -1.141 3.529 -19.866 1.00 0.00 C ATOM 1709 NZ LYS A 108 -1.670 3.111 -21.183 1.00 0.00 N ATOM 0 H LYS A 108 -0.849 7.918 -16.115 1.00 0.00 H new ATOM 0 HA LYS A 108 0.173 5.133 -16.356 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -2.152 6.456 -17.341 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.121 6.064 -18.703 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -0.905 3.741 -17.248 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.523 4.239 -16.795 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.883 2.936 -18.740 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.950 4.580 -19.342 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.512 4.411 -19.984 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.511 2.741 -19.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.879 2.907 -21.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.252 2.257 -21.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.252 3.875 -21.582 1.00 0.00 H new ATOM 1723 N ASN A 109 1.510 7.800 -17.358 1.00 0.00 N ATOM 1724 CA ASN A 109 2.650 8.380 -18.049 1.00 0.00 C ATOM 1725 C ASN A 109 3.914 8.155 -17.217 1.00 0.00 C ATOM 1726 O ASN A 109 4.878 8.910 -17.330 1.00 0.00 O ATOM 1727 CB ASN A 109 2.470 9.888 -18.238 1.00 0.00 C ATOM 1728 CG ASN A 109 2.407 10.250 -19.723 1.00 0.00 C ATOM 1729 OD1 ASN A 109 3.402 10.262 -20.429 1.00 0.00 O ATOM 1730 ND2 ASN A 109 1.184 10.545 -20.156 1.00 0.00 N ATOM 0 H ASN A 109 1.059 8.419 -16.685 1.00 0.00 H new ATOM 0 HA ASN A 109 2.732 7.901 -19.025 1.00 0.00 H new ATOM 0 HB2 ASN A 109 1.556 10.214 -17.741 1.00 0.00 H new ATOM 0 HB3 ASN A 109 3.296 10.419 -17.765 1.00 0.00 H new ATOM 0 HD21 ASN A 109 1.037 10.801 -21.132 1.00 0.00 H new ATOM 0 HD22 ASN A 109 0.394 10.515 -19.512 1.00 0.00 H new ATOM 1737 N GLY A 110 3.868 7.113 -16.399 1.00 0.00 N ATOM 1738 CA GLY A 110 4.997 6.780 -15.548 1.00 0.00 C ATOM 1739 C GLY A 110 5.264 7.890 -14.530 1.00 0.00 C ATOM 1740 O GLY A 110 6.416 8.218 -14.252 1.00 0.00 O ATOM 0 H GLY A 110 3.066 6.489 -16.308 1.00 0.00 H new ATOM 0 HA2 GLY A 110 4.800 5.843 -15.026 1.00 0.00 H new ATOM 0 HA3 GLY A 110 5.885 6.623 -16.161 1.00 0.00 H new ATOM 1744 N SER A 111 4.180 8.439 -14.003 1.00 0.00 N ATOM 1745 CA SER A 111 4.282 9.506 -13.022 1.00 0.00 C ATOM 1746 C SER A 111 3.310 9.251 -11.868 1.00 0.00 C ATOM 1747 O SER A 111 2.418 8.411 -11.978 1.00 0.00 O ATOM 1748 CB SER A 111 4.003 10.869 -13.659 1.00 0.00 C ATOM 1749 OG SER A 111 4.912 11.158 -14.718 1.00 0.00 O ATOM 0 H SER A 111 3.226 8.165 -14.237 1.00 0.00 H new ATOM 0 HA SER A 111 5.301 9.518 -12.635 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.982 10.889 -14.041 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.073 11.646 -12.898 1.00 0.00 H new ATOM 0 HG SER A 111 4.701 12.035 -15.100 1.00 0.00 H new ATOM 1755 N CYS A 112 3.516 9.991 -10.789 1.00 0.00 N ATOM 1756 CA CYS A 112 2.669 9.855 -9.616 1.00 0.00 C ATOM 1757 C CYS A 112 1.399 10.679 -9.842 1.00 0.00 C ATOM 1758 O CYS A 112 1.467 11.814 -10.311 1.00 0.00 O ATOM 1759 CB CYS A 112 3.400 10.274 -8.339 1.00 0.00 C ATOM 1760 SG CYS A 112 4.062 11.970 -8.523 1.00 0.00 S ATOM 0 H CYS A 112 4.257 10.687 -10.702 1.00 0.00 H new ATOM 0 HA CYS A 112 2.402 8.807 -9.477 1.00 0.00 H new ATOM 0 HB2 CYS A 112 2.718 10.231 -7.490 1.00 0.00 H new ATOM 0 HB3 CYS A 112 4.213 9.578 -8.131 1.00 0.00 H new ATOM 0 HG CYS A 112 3.278 12.660 -9.296 1.00 0.00 H new ATOM 1766 N LYS A 113 0.271 10.075 -9.499 1.00 0.00 N ATOM 1767 CA LYS A 113 -1.012 10.738 -9.659 1.00 0.00 C ATOM 1768 C LYS A 113 -1.346 11.507 -8.380 1.00 0.00 C ATOM 1769 O LYS A 113 -1.677 10.907 -7.358 1.00 0.00 O ATOM 1770 CB LYS A 113 -2.088 9.731 -10.071 1.00 0.00 C ATOM 1771 CG LYS A 113 -3.302 10.442 -10.671 1.00 0.00 C ATOM 1772 CD LYS A 113 -4.361 9.433 -11.122 1.00 0.00 C ATOM 1773 CE LYS A 113 -5.145 9.961 -12.324 1.00 0.00 C ATOM 1774 NZ LYS A 113 -5.025 9.032 -13.470 1.00 0.00 N ATOM 0 H LYS A 113 0.219 9.133 -9.111 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.966 11.468 -10.467 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -1.676 9.030 -10.797 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -2.396 9.147 -9.204 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -3.732 11.120 -9.934 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -2.989 11.050 -11.520 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.882 8.489 -11.382 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -5.045 9.227 -10.299 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.194 10.083 -12.056 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -4.771 10.945 -12.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -4.868 9.576 -14.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -4.223 8.389 -13.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -5.900 8.477 -13.560 1.00 0.00 H new ATOM 1788 N ARG A 114 -1.249 12.825 -8.477 1.00 0.00 N ATOM 1789 CA ARG A 114 -1.537 13.683 -7.340 1.00 0.00 C ATOM 1790 C ARG A 114 -2.701 13.113 -6.527 1.00 0.00 C ATOM 1791 O ARG A 114 -3.651 12.572 -7.091 1.00 0.00 O ATOM 1792 CB ARG A 114 -1.888 15.101 -7.795 1.00 0.00 C ATOM 1793 CG ARG A 114 -0.690 16.040 -7.636 1.00 0.00 C ATOM 1794 CD ARG A 114 -0.041 16.334 -8.989 1.00 0.00 C ATOM 1795 NE ARG A 114 -0.627 17.560 -9.576 1.00 0.00 N ATOM 1796 CZ ARG A 114 -0.267 18.804 -9.231 1.00 0.00 C ATOM 1797 NH1 ARG A 114 0.679 18.994 -8.302 1.00 0.00 N ATOM 1798 NH2 ARG A 114 -0.853 19.857 -9.816 1.00 0.00 N ATOM 0 H ARG A 114 -0.975 13.320 -9.326 1.00 0.00 H new ATOM 0 HA ARG A 114 -0.641 13.724 -6.720 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.206 15.084 -8.838 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -2.729 15.476 -7.212 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -1.013 16.973 -7.173 1.00 0.00 H new ATOM 0 HG3 ARG A 114 0.043 15.590 -6.967 1.00 0.00 H new ATOM 0 HD2 ARG A 114 1.035 16.458 -8.866 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -0.190 15.491 -9.664 1.00 0.00 H new ATOM 0 HE ARG A 114 -1.350 17.451 -10.287 1.00 0.00 H new ATOM 0 HH11 ARG A 114 1.125 18.192 -7.857 1.00 0.00 H new ATOM 0 HH12 ARG A 114 0.953 19.941 -8.039 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.573 19.712 -10.524 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -0.579 20.804 -9.554 1.00 0.00 H new ATOM 1812 N GLY A 115 -2.589 13.253 -5.214 1.00 0.00 N ATOM 1813 CA GLY A 115 -3.620 12.759 -4.318 1.00 0.00 C ATOM 1814 C GLY A 115 -5.005 13.237 -4.758 1.00 0.00 C ATOM 1815 O GLY A 115 -5.882 12.426 -5.050 1.00 0.00 O ATOM 0 H GLY A 115 -1.800 13.702 -4.749 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -3.597 11.669 -4.297 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -3.419 13.101 -3.303 1.00 0.00 H new ATOM 1819 N PRO A 116 -5.162 14.588 -4.793 1.00 0.00 N ATOM 1820 CA PRO A 116 -6.425 15.184 -5.193 1.00 0.00 C ATOM 1821 C PRO A 116 -6.622 15.087 -6.707 1.00 0.00 C ATOM 1822 O PRO A 116 -7.142 16.012 -7.329 1.00 0.00 O ATOM 1823 CB PRO A 116 -6.359 16.618 -4.693 1.00 0.00 C ATOM 1824 CG PRO A 116 -4.888 16.905 -4.445 1.00 0.00 C ATOM 1825 CD PRO A 116 -4.145 15.579 -4.453 1.00 0.00 C ATOM 0 HA PRO A 116 -7.287 14.668 -4.770 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -6.773 17.308 -5.429 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -6.940 16.740 -3.779 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.494 17.568 -5.215 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -4.754 17.412 -3.489 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.336 15.583 -5.183 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -3.697 15.370 -3.482 1.00 0.00 H new ATOM 1833 N ARG A 117 -6.196 13.959 -7.256 1.00 0.00 N ATOM 1834 CA ARG A 117 -6.319 13.730 -8.686 1.00 0.00 C ATOM 1835 C ARG A 117 -6.620 12.255 -8.963 1.00 0.00 C ATOM 1836 O ARG A 117 -6.456 11.786 -10.088 1.00 0.00 O ATOM 1837 CB ARG A 117 -5.037 14.129 -9.420 1.00 0.00 C ATOM 1838 CG ARG A 117 -4.890 15.650 -9.478 1.00 0.00 C ATOM 1839 CD ARG A 117 -4.836 16.141 -10.926 1.00 0.00 C ATOM 1840 NE ARG A 117 -4.570 17.597 -10.957 1.00 0.00 N ATOM 1841 CZ ARG A 117 -5.489 18.534 -10.689 1.00 0.00 C ATOM 1842 NH1 ARG A 117 -6.739 18.175 -10.367 1.00 0.00 N ATOM 1843 NH2 ARG A 117 -5.157 19.832 -10.742 1.00 0.00 N ATOM 0 H ARG A 117 -5.765 13.194 -6.737 1.00 0.00 H new ATOM 0 HA ARG A 117 -7.140 14.347 -9.052 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -4.174 13.696 -8.914 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -5.051 13.723 -10.431 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -5.727 16.120 -8.962 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -3.983 15.951 -8.954 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -4.056 15.609 -11.470 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -5.779 15.924 -11.428 1.00 0.00 H new ATOM 0 HE ARG A 117 -3.628 17.906 -11.197 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -6.991 17.188 -10.326 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -7.438 18.889 -10.163 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -4.205 20.105 -10.986 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -5.856 20.546 -10.538 1.00 0.00 H new ATOM 1857 N THR A 118 -7.054 11.566 -7.918 1.00 0.00 N ATOM 1858 CA THR A 118 -7.379 10.155 -8.035 1.00 0.00 C ATOM 1859 C THR A 118 -8.857 9.920 -7.717 1.00 0.00 C ATOM 1860 O THR A 118 -9.529 10.801 -7.181 1.00 0.00 O ATOM 1861 CB THR A 118 -6.430 9.375 -7.123 1.00 0.00 C ATOM 1862 OG1 THR A 118 -6.345 10.173 -5.945 1.00 0.00 O ATOM 1863 CG2 THR A 118 -4.997 9.345 -7.657 1.00 0.00 C ATOM 0 H THR A 118 -7.188 11.959 -6.986 1.00 0.00 H new ATOM 0 HA THR A 118 -7.238 9.800 -9.056 1.00 0.00 H new ATOM 0 HB THR A 118 -6.796 8.355 -7.008 1.00 0.00 H new ATOM 0 HG1 THR A 118 -5.808 10.972 -6.129 1.00 0.00 H new ATOM 0 HG21 THR A 118 -4.365 8.779 -6.972 1.00 0.00 H new ATOM 0 HG22 THR A 118 -4.984 8.871 -8.638 1.00 0.00 H new ATOM 0 HG23 THR A 118 -4.619 10.364 -7.742 1.00 0.00 H new ATOM 1871 N HIS A 119 -9.321 8.728 -8.062 1.00 0.00 N ATOM 1872 CA HIS A 119 -10.708 8.366 -7.820 1.00 0.00 C ATOM 1873 C HIS A 119 -10.932 6.903 -8.210 1.00 0.00 C ATOM 1874 O HIS A 119 -9.990 6.205 -8.583 1.00 0.00 O ATOM 1875 CB HIS A 119 -11.654 9.324 -8.546 1.00 0.00 C ATOM 1876 CG HIS A 119 -12.268 10.375 -7.652 1.00 0.00 C ATOM 1877 ND1 HIS A 119 -12.942 11.478 -8.146 1.00 0.00 N ATOM 1878 CD2 HIS A 119 -12.304 10.479 -6.293 1.00 0.00 C ATOM 1879 CE1 HIS A 119 -13.360 12.207 -7.121 1.00 0.00 C ATOM 1880 NE2 HIS A 119 -12.963 11.586 -5.974 1.00 0.00 N ATOM 0 H HIS A 119 -8.762 8.000 -8.507 1.00 0.00 H new ATOM 0 HA HIS A 119 -10.932 8.462 -6.758 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -11.108 9.819 -9.349 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -12.452 8.746 -9.012 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -11.870 9.779 -5.594 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -13.917 13.130 -7.183 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -13.143 11.918 -5.026 1.00 0.00 H new ATOM 1888 N TYR A 120 -12.184 6.483 -8.110 1.00 0.00 N ATOM 1889 CA TYR A 120 -12.544 5.116 -8.447 1.00 0.00 C ATOM 1890 C TYR A 120 -12.837 4.979 -9.943 1.00 0.00 C ATOM 1891 O TYR A 120 -13.414 5.879 -10.551 1.00 0.00 O ATOM 1892 CB TYR A 120 -13.819 4.809 -7.660 1.00 0.00 C ATOM 1893 CG TYR A 120 -14.141 3.317 -7.554 1.00 0.00 C ATOM 1894 CD1 TYR A 120 -13.226 2.452 -6.990 1.00 0.00 C ATOM 1895 CD2 TYR A 120 -15.347 2.837 -8.023 1.00 0.00 C ATOM 1896 CE1 TYR A 120 -13.529 1.048 -6.891 1.00 0.00 C ATOM 1897 CE2 TYR A 120 -15.650 1.433 -7.924 1.00 0.00 C ATOM 1898 CZ TYR A 120 -14.726 0.607 -7.362 1.00 0.00 C ATOM 1899 OH TYR A 120 -15.013 -0.719 -7.268 1.00 0.00 O ATOM 0 H TYR A 120 -12.962 7.065 -7.800 1.00 0.00 H new ATOM 0 HA TYR A 120 -11.729 4.434 -8.205 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -13.722 5.221 -6.656 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -14.658 5.318 -8.134 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -12.283 2.828 -6.623 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -16.063 3.514 -8.464 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -12.821 0.360 -6.452 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -16.590 1.044 -8.288 1.00 0.00 H new ATOM 0 HH TYR A 120 -15.902 -0.889 -7.643 1.00 0.00 H new ATOM 1909 N GLY A 121 -12.425 3.846 -10.493 1.00 0.00 N ATOM 1910 CA GLY A 121 -12.636 3.580 -11.905 1.00 0.00 C ATOM 1911 C GLY A 121 -11.309 3.582 -12.668 1.00 0.00 C ATOM 1912 O GLY A 121 -11.218 3.031 -13.764 1.00 0.00 O ATOM 0 H GLY A 121 -11.946 3.102 -9.986 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -13.128 2.615 -12.027 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -13.302 4.334 -12.325 1.00 0.00 H new ATOM 1916 N GLN A 122 -10.313 4.208 -12.057 1.00 0.00 N ATOM 1917 CA GLN A 122 -8.996 4.288 -12.665 1.00 0.00 C ATOM 1918 C GLN A 122 -8.180 3.037 -12.331 1.00 0.00 C ATOM 1919 O GLN A 122 -8.425 2.384 -11.318 1.00 0.00 O ATOM 1920 CB GLN A 122 -8.263 5.555 -12.219 1.00 0.00 C ATOM 1921 CG GLN A 122 -9.131 6.796 -12.437 1.00 0.00 C ATOM 1922 CD GLN A 122 -8.327 8.076 -12.202 1.00 0.00 C ATOM 1923 OE1 GLN A 122 -7.547 8.512 -13.033 1.00 0.00 O ATOM 1924 NE2 GLN A 122 -8.559 8.652 -11.026 1.00 0.00 N ATOM 0 H GLN A 122 -10.392 4.664 -11.148 1.00 0.00 H new ATOM 0 HA GLN A 122 -9.119 4.340 -13.747 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -7.997 5.474 -11.165 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -7.332 5.656 -12.776 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -9.528 6.793 -13.452 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -9.985 6.770 -11.761 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -9.225 8.234 -10.376 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -8.071 9.511 -10.774 1.00 0.00 H new ATOM 1933 N LYS A 123 -7.227 2.741 -13.203 1.00 0.00 N ATOM 1934 CA LYS A 123 -6.374 1.580 -13.014 1.00 0.00 C ATOM 1935 C LYS A 123 -5.084 2.009 -12.312 1.00 0.00 C ATOM 1936 O LYS A 123 -4.097 1.276 -12.318 1.00 0.00 O ATOM 1937 CB LYS A 123 -6.141 0.864 -14.346 1.00 0.00 C ATOM 1938 CG LYS A 123 -5.466 -0.492 -14.128 1.00 0.00 C ATOM 1939 CD LYS A 123 -5.997 -1.533 -15.115 1.00 0.00 C ATOM 1940 CE LYS A 123 -7.217 -2.258 -14.543 1.00 0.00 C ATOM 1941 NZ LYS A 123 -8.453 -1.808 -15.222 1.00 0.00 N ATOM 0 H LYS A 123 -7.027 3.285 -14.042 1.00 0.00 H new ATOM 0 HA LYS A 123 -6.861 0.850 -12.367 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -7.093 0.723 -14.858 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -5.520 1.484 -14.993 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -4.388 -0.389 -14.248 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -5.643 -0.830 -13.107 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -6.265 -1.047 -16.053 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -5.214 -2.256 -15.343 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -7.099 -3.334 -14.666 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -7.293 -2.066 -13.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -9.257 -2.381 -14.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -8.627 -0.807 -14.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -8.344 -1.919 -16.250 1.00 0.00 H new ATOM 1955 N ALA A 124 -5.134 3.196 -11.725 1.00 0.00 N ATOM 1956 CA ALA A 124 -3.982 3.731 -11.020 1.00 0.00 C ATOM 1957 C ALA A 124 -4.090 3.382 -9.535 1.00 0.00 C ATOM 1958 O ALA A 124 -3.115 2.950 -8.922 1.00 0.00 O ATOM 1959 CB ALA A 124 -3.893 5.240 -11.259 1.00 0.00 C ATOM 0 H ALA A 124 -5.954 3.802 -11.723 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.061 3.286 -11.397 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.029 5.642 -10.730 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -3.788 5.434 -12.326 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -4.799 5.721 -10.891 1.00 0.00 H new ATOM 1965 N ILE A 125 -5.285 3.582 -8.998 1.00 0.00 N ATOM 1966 CA ILE A 125 -5.533 3.293 -7.596 1.00 0.00 C ATOM 1967 C ILE A 125 -5.405 1.787 -7.359 1.00 0.00 C ATOM 1968 O ILE A 125 -5.105 1.353 -6.247 1.00 0.00 O ATOM 1969 CB ILE A 125 -6.881 3.871 -7.160 1.00 0.00 C ATOM 1970 CG1 ILE A 125 -8.023 2.907 -7.489 1.00 0.00 C ATOM 1971 CG2 ILE A 125 -7.107 5.256 -7.770 1.00 0.00 C ATOM 1972 CD1 ILE A 125 -9.382 3.554 -7.215 1.00 0.00 C ATOM 0 H ILE A 125 -6.092 3.941 -9.509 1.00 0.00 H new ATOM 0 HA ILE A 125 -4.785 3.779 -6.969 1.00 0.00 H new ATOM 0 HB ILE A 125 -6.865 3.995 -6.077 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -7.962 2.609 -8.536 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.921 2.000 -6.893 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -8.072 5.644 -7.444 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.316 5.931 -7.444 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -7.094 5.181 -8.857 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -10.176 2.848 -7.457 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -9.449 3.828 -6.162 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -9.490 4.447 -7.830 1.00 0.00 H new ATOM 1984 N LEU A 126 -5.637 1.031 -8.422 1.00 0.00 N ATOM 1985 CA LEU A 126 -5.551 -0.417 -8.344 1.00 0.00 C ATOM 1986 C LEU A 126 -4.081 -0.833 -8.260 1.00 0.00 C ATOM 1987 O LEU A 126 -3.348 -0.738 -9.244 1.00 0.00 O ATOM 1988 CB LEU A 126 -6.307 -1.063 -9.507 1.00 0.00 C ATOM 1989 CG LEU A 126 -7.750 -0.596 -9.710 1.00 0.00 C ATOM 1990 CD1 LEU A 126 -8.357 -1.223 -10.967 1.00 0.00 C ATOM 1991 CD2 LEU A 126 -8.596 -0.871 -8.466 1.00 0.00 C ATOM 0 H LEU A 126 -5.885 1.394 -9.342 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.038 -0.778 -7.438 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.752 -0.873 -10.426 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.313 -2.142 -9.356 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.742 0.484 -9.860 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.383 -0.875 -11.088 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -7.770 -0.933 -11.838 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -8.351 -2.309 -10.871 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -9.617 -0.529 -8.637 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.601 -1.941 -8.259 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.174 -0.339 -7.614 1.00 0.00 H new ATOM 2003 N PHE A 127 -3.693 -1.284 -7.076 1.00 0.00 N ATOM 2004 CA PHE A 127 -2.323 -1.714 -6.851 1.00 0.00 C ATOM 2005 C PHE A 127 -2.272 -3.187 -6.441 1.00 0.00 C ATOM 2006 O PHE A 127 -3.128 -3.658 -5.694 1.00 0.00 O ATOM 2007 CB PHE A 127 -1.768 -0.860 -5.710 1.00 0.00 C ATOM 2008 CG PHE A 127 -0.951 0.347 -6.177 1.00 0.00 C ATOM 2009 CD1 PHE A 127 -1.126 0.842 -7.432 1.00 0.00 C ATOM 2010 CD2 PHE A 127 -0.050 0.924 -5.338 1.00 0.00 C ATOM 2011 CE1 PHE A 127 -0.368 1.962 -7.865 1.00 0.00 C ATOM 2012 CE2 PHE A 127 0.707 2.045 -5.771 1.00 0.00 C ATOM 2013 CZ PHE A 127 0.533 2.540 -7.025 1.00 0.00 C ATOM 0 H PHE A 127 -4.303 -1.361 -6.262 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.741 -1.598 -7.766 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -2.597 -0.509 -5.096 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.142 -1.485 -5.073 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -1.841 0.383 -8.099 1.00 0.00 H new ATOM 0 HD2 PHE A 127 0.090 0.530 -4.342 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.507 2.355 -8.861 1.00 0.00 H new ATOM 0 HE2 PHE A 127 1.421 2.504 -5.104 1.00 0.00 H new ATOM 0 HZ PHE A 127 1.110 3.392 -7.354 1.00 0.00 H new ATOM 2023 N LEU A 128 -1.258 -3.874 -6.948 1.00 0.00 N ATOM 2024 CA LEU A 128 -1.084 -5.284 -6.644 1.00 0.00 C ATOM 2025 C LEU A 128 0.341 -5.520 -6.139 1.00 0.00 C ATOM 2026 O LEU A 128 1.308 -5.140 -6.798 1.00 0.00 O ATOM 2027 CB LEU A 128 -1.458 -6.144 -7.853 1.00 0.00 C ATOM 2028 CG LEU A 128 -2.206 -7.443 -7.548 1.00 0.00 C ATOM 2029 CD1 LEU A 128 -3.542 -7.157 -6.860 1.00 0.00 C ATOM 2030 CD2 LEU A 128 -2.381 -8.285 -8.812 1.00 0.00 C ATOM 0 H LEU A 128 -0.549 -3.480 -7.567 1.00 0.00 H new ATOM 0 HA LEU A 128 -1.761 -5.587 -5.845 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -2.072 -5.544 -8.524 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -0.545 -6.393 -8.393 1.00 0.00 H new ATOM 0 HG LEU A 128 -1.604 -8.028 -6.853 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -4.054 -8.097 -6.654 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -3.363 -6.629 -5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -4.162 -6.541 -7.511 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.916 -9.203 -8.567 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.950 -7.720 -9.550 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -1.402 -8.534 -9.222 1.00 0.00 H new ATOM 2042 N PRO A 129 0.429 -6.162 -4.944 1.00 0.00 N ATOM 2043 CA PRO A 129 1.719 -6.453 -4.343 1.00 0.00 C ATOM 2044 C PRO A 129 2.407 -7.618 -5.058 1.00 0.00 C ATOM 2045 O PRO A 129 1.897 -8.738 -5.060 1.00 0.00 O ATOM 2046 CB PRO A 129 1.416 -6.748 -2.883 1.00 0.00 C ATOM 2047 CG PRO A 129 -0.069 -7.067 -2.822 1.00 0.00 C ATOM 2048 CD PRO A 129 -0.695 -6.627 -4.135 1.00 0.00 C ATOM 0 HA PRO A 129 2.420 -5.623 -4.430 1.00 0.00 H new ATOM 0 HB2 PRO A 129 2.011 -7.587 -2.522 1.00 0.00 H new ATOM 0 HB3 PRO A 129 1.658 -5.892 -2.253 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -0.224 -8.134 -2.664 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -0.536 -6.550 -1.984 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -1.218 -7.451 -4.620 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -1.426 -5.833 -3.979 1.00 0.00 H new ATOM 2056 N LEU A 130 3.554 -7.314 -5.648 1.00 0.00 N ATOM 2057 CA LEU A 130 4.316 -8.322 -6.365 1.00 0.00 C ATOM 2058 C LEU A 130 5.464 -8.813 -5.480 1.00 0.00 C ATOM 2059 O LEU A 130 6.172 -8.010 -4.874 1.00 0.00 O ATOM 2060 CB LEU A 130 4.774 -7.783 -7.722 1.00 0.00 C ATOM 2061 CG LEU A 130 3.703 -7.716 -8.812 1.00 0.00 C ATOM 2062 CD1 LEU A 130 4.279 -7.152 -10.113 1.00 0.00 C ATOM 2063 CD2 LEU A 130 3.045 -9.081 -9.021 1.00 0.00 C ATOM 0 H LEU A 130 3.974 -6.384 -5.644 1.00 0.00 H new ATOM 0 HA LEU A 130 3.690 -9.187 -6.586 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.178 -6.781 -7.575 1.00 0.00 H new ATOM 0 HB3 LEU A 130 5.592 -8.407 -8.082 1.00 0.00 H new ATOM 0 HG LEU A 130 2.923 -7.031 -8.481 1.00 0.00 H new ATOM 0 HD11 LEU A 130 3.497 -7.115 -10.871 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.661 -6.146 -9.936 1.00 0.00 H new ATOM 0 HD13 LEU A 130 5.090 -7.792 -10.459 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.288 -9.004 -9.801 1.00 0.00 H new ATOM 0 HD22 LEU A 130 3.801 -9.807 -9.319 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.577 -9.405 -8.092 1.00 0.00 H new ATOM 2075 N PRO A 131 5.615 -10.164 -5.431 1.00 0.00 N ATOM 2076 CA PRO A 131 6.664 -10.771 -4.630 1.00 0.00 C ATOM 2077 C PRO A 131 8.030 -10.607 -5.300 1.00 0.00 C ATOM 2078 O PRO A 131 8.176 -10.872 -6.492 1.00 0.00 O ATOM 2079 CB PRO A 131 6.249 -12.225 -4.475 1.00 0.00 C ATOM 2080 CG PRO A 131 5.233 -12.488 -5.574 1.00 0.00 C ATOM 2081 CD PRO A 131 4.794 -11.145 -6.135 1.00 0.00 C ATOM 0 HA PRO A 131 6.777 -10.297 -3.655 1.00 0.00 H new ATOM 0 HB2 PRO A 131 7.108 -12.889 -4.571 1.00 0.00 H new ATOM 0 HB3 PRO A 131 5.815 -12.405 -3.491 1.00 0.00 H new ATOM 0 HG2 PRO A 131 5.671 -13.105 -6.359 1.00 0.00 H new ATOM 0 HG3 PRO A 131 4.377 -13.035 -5.179 1.00 0.00 H new ATOM 0 HD2 PRO A 131 4.953 -11.095 -7.212 1.00 0.00 H new ATOM 0 HD3 PRO A 131 3.732 -10.971 -5.961 1.00 0.00 H new ATOM 2089 N VAL A 132 8.996 -10.172 -4.504 1.00 0.00 N ATOM 2090 CA VAL A 132 10.344 -9.970 -5.005 1.00 0.00 C ATOM 2091 C VAL A 132 11.306 -10.894 -4.256 1.00 0.00 C ATOM 2092 O VAL A 132 12.489 -10.962 -4.584 1.00 0.00 O ATOM 2093 CB VAL A 132 10.728 -8.492 -4.896 1.00 0.00 C ATOM 2094 CG1 VAL A 132 11.033 -8.111 -3.446 1.00 0.00 C ATOM 2095 CG2 VAL A 132 11.909 -8.163 -5.810 1.00 0.00 C ATOM 0 H VAL A 132 8.871 -9.954 -3.515 1.00 0.00 H new ATOM 0 HA VAL A 132 10.401 -10.229 -6.062 1.00 0.00 H new ATOM 0 HB VAL A 132 9.875 -7.899 -5.226 1.00 0.00 H new ATOM 0 HG11 VAL A 132 11.303 -7.056 -3.396 1.00 0.00 H new ATOM 0 HG12 VAL A 132 10.152 -8.290 -2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 132 11.862 -8.716 -3.078 1.00 0.00 H new ATOM 0 HG21 VAL A 132 12.161 -7.107 -5.713 1.00 0.00 H new ATOM 0 HG22 VAL A 132 12.769 -8.769 -5.525 1.00 0.00 H new ATOM 0 HG23 VAL A 132 11.640 -8.378 -6.844 1.00 0.00 H new ATOM 2105 N SER A 133 10.762 -11.582 -3.263 1.00 0.00 N ATOM 2106 CA SER A 133 11.557 -12.499 -2.464 1.00 0.00 C ATOM 2107 C SER A 133 10.681 -13.156 -1.395 1.00 0.00 C ATOM 2108 O SER A 133 10.457 -12.579 -0.332 1.00 0.00 O ATOM 2109 CB SER A 133 12.740 -11.780 -1.814 1.00 0.00 C ATOM 2110 OG SER A 133 13.460 -12.631 -0.926 1.00 0.00 O ATOM 0 H SER A 133 9.780 -11.523 -2.993 1.00 0.00 H new ATOM 0 HA SER A 133 11.955 -13.271 -3.123 1.00 0.00 H new ATOM 0 HB2 SER A 133 13.412 -11.414 -2.590 1.00 0.00 H new ATOM 0 HB3 SER A 133 12.379 -10.909 -1.268 1.00 0.00 H new ATOM 0 HG SER A 133 14.145 -13.122 -1.427 1.00 0.00 H new ATOM 2116 N SER A 134 10.210 -14.352 -1.713 1.00 0.00 N ATOM 2117 CA SER A 134 9.365 -15.093 -0.793 1.00 0.00 C ATOM 2118 C SER A 134 9.616 -16.595 -0.944 1.00 0.00 C ATOM 2119 O SER A 134 10.358 -17.017 -1.829 1.00 0.00 O ATOM 2120 CB SER A 134 7.886 -14.776 -1.027 1.00 0.00 C ATOM 2121 OG SER A 134 7.430 -13.713 -0.196 1.00 0.00 O ATOM 0 H SER A 134 10.398 -14.827 -2.596 1.00 0.00 H new ATOM 0 HA SER A 134 9.618 -14.790 0.223 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.733 -14.510 -2.073 1.00 0.00 H new ATOM 0 HB3 SER A 134 7.289 -15.668 -0.835 1.00 0.00 H new ATOM 0 HG SER A 134 8.173 -13.102 -0.009 1.00 0.00 H new ATOM 2127 N ASP A 135 8.984 -17.359 -0.066 1.00 0.00 N ATOM 2128 CA ASP A 135 9.130 -18.805 -0.090 1.00 0.00 C ATOM 2129 C ASP A 135 8.335 -19.413 1.066 1.00 0.00 C ATOM 2130 O ASP A 135 7.461 -20.252 0.850 1.00 0.00 O ATOM 2131 CB ASP A 135 10.595 -19.213 0.077 1.00 0.00 C ATOM 2132 CG ASP A 135 11.126 -20.171 -0.991 1.00 0.00 C ATOM 2133 OD1 ASP A 135 11.412 -19.678 -2.104 1.00 0.00 O ATOM 2134 OD2 ASP A 135 11.233 -21.375 -0.672 1.00 0.00 O ATOM 0 H ASP A 135 8.369 -17.004 0.667 1.00 0.00 H new ATOM 0 HA ASP A 135 8.762 -19.165 -1.051 1.00 0.00 H new ATOM 0 HB2 ASP A 135 11.210 -18.313 0.074 1.00 0.00 H new ATOM 0 HB3 ASP A 135 10.717 -19.679 1.055 1.00 0.00 H new ATOM 2139 N LEU A 136 8.666 -18.967 2.269 1.00 0.00 N ATOM 2140 CA LEU A 136 7.993 -19.457 3.460 1.00 0.00 C ATOM 2141 C LEU A 136 6.480 -19.319 3.280 1.00 0.00 C ATOM 2142 O LEU A 136 6.020 -18.655 2.352 1.00 0.00 O ATOM 2143 CB LEU A 136 8.531 -18.752 4.708 1.00 0.00 C ATOM 2144 CG LEU A 136 7.620 -17.687 5.321 1.00 0.00 C ATOM 2145 CD1 LEU A 136 7.033 -16.778 4.238 1.00 0.00 C ATOM 2146 CD2 LEU A 136 6.531 -18.327 6.184 1.00 0.00 C ATOM 0 H LEU A 136 9.391 -18.272 2.444 1.00 0.00 H new ATOM 0 HA LEU A 136 8.201 -20.517 3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 136 8.737 -19.507 5.467 1.00 0.00 H new ATOM 0 HB3 LEU A 136 9.483 -18.286 4.456 1.00 0.00 H new ATOM 0 HG LEU A 136 8.223 -17.059 5.977 1.00 0.00 H new ATOM 0 HD11 LEU A 136 6.389 -16.030 4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 136 7.842 -16.280 3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 136 6.449 -17.376 3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 136 5.898 -17.548 6.608 1.00 0.00 H new ATOM 0 HD22 LEU A 136 5.925 -18.993 5.570 1.00 0.00 H new ATOM 0 HD23 LEU A 136 6.993 -18.897 6.990 1.00 0.00 H new ATOM 2158 N GLU A 137 5.748 -19.957 4.181 1.00 0.00 N ATOM 2159 CA GLU A 137 4.296 -19.913 4.133 1.00 0.00 C ATOM 2160 C GLU A 137 3.721 -19.819 5.547 1.00 0.00 C ATOM 2161 O GLU A 137 4.338 -20.283 6.505 1.00 0.00 O ATOM 2162 CB GLU A 137 3.736 -21.129 3.393 1.00 0.00 C ATOM 2163 CG GLU A 137 3.063 -20.711 2.083 1.00 0.00 C ATOM 2164 CD GLU A 137 1.818 -21.557 1.812 1.00 0.00 C ATOM 2165 OE1 GLU A 137 1.982 -22.791 1.704 1.00 0.00 O ATOM 2166 OE2 GLU A 137 0.729 -20.950 1.719 1.00 0.00 O ATOM 0 H GLU A 137 6.133 -20.507 4.949 1.00 0.00 H new ATOM 0 HA GLU A 137 3.996 -19.022 3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 137 4.540 -21.834 3.184 1.00 0.00 H new ATOM 0 HB3 GLU A 137 3.016 -21.646 4.027 1.00 0.00 H new ATOM 0 HG2 GLU A 137 2.788 -19.657 2.132 1.00 0.00 H new ATOM 0 HG3 GLU A 137 3.767 -20.819 1.258 1.00 0.00 H new ATOM 2173 N HIS A 138 2.545 -19.215 5.635 1.00 0.00 N ATOM 2174 CA HIS A 138 1.879 -19.054 6.916 1.00 0.00 C ATOM 2175 C HIS A 138 1.013 -20.283 7.202 1.00 0.00 C ATOM 2176 O HIS A 138 0.146 -20.635 6.404 1.00 0.00 O ATOM 2177 CB HIS A 138 1.085 -17.747 6.956 1.00 0.00 C ATOM 2178 CG HIS A 138 1.092 -17.065 8.303 1.00 0.00 C ATOM 2179 ND1 HIS A 138 1.078 -17.765 9.497 1.00 0.00 N ATOM 2180 CD2 HIS A 138 1.111 -15.742 8.632 1.00 0.00 C ATOM 2181 CE1 HIS A 138 1.088 -16.891 10.494 1.00 0.00 C ATOM 2182 NE2 HIS A 138 1.108 -15.638 9.955 1.00 0.00 N ATOM 0 H HIS A 138 2.036 -18.831 4.839 1.00 0.00 H new ATOM 0 HA HIS A 138 2.623 -18.983 7.710 1.00 0.00 H new ATOM 0 HB2 HIS A 138 1.493 -17.063 6.212 1.00 0.00 H new ATOM 0 HB3 HIS A 138 0.054 -17.952 6.669 1.00 0.00 H new ATOM 0 HD2 HIS A 138 1.126 -14.918 7.934 1.00 0.00 H new ATOM 0 HE1 HIS A 138 1.081 -17.129 11.547 1.00 0.00 H new ATOM 0 HE2 HIS A 138 1.119 -14.765 10.482 1.00 0.00 H new ATOM 2190 N HIS A 139 1.278 -20.901 8.344 1.00 0.00 N ATOM 2191 CA HIS A 139 0.534 -22.082 8.746 1.00 0.00 C ATOM 2192 C HIS A 139 1.037 -22.567 10.107 1.00 0.00 C ATOM 2193 O HIS A 139 2.072 -23.225 10.192 1.00 0.00 O ATOM 2194 CB HIS A 139 0.608 -23.164 7.666 1.00 0.00 C ATOM 2195 CG HIS A 139 -0.690 -23.385 6.927 1.00 0.00 C ATOM 2196 ND1 HIS A 139 -1.116 -22.923 5.716 1.00 0.00 N flip ATOM 2197 CD2 HIS A 139 -1.718 -24.160 7.433 1.00 0.00 C flip ATOM 2198 CE1 HIS A 139 -2.337 -23.392 5.494 1.00 0.00 C flip ATOM 2199 NE2 HIS A 139 -2.713 -24.159 6.558 1.00 0.00 N flip ATOM 0 H HIS A 139 1.998 -20.606 9.003 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.521 -21.832 8.856 1.00 0.00 H new ATOM 0 HB2 HIS A 139 1.382 -22.893 6.947 1.00 0.00 H new ATOM 0 HB3 HIS A 139 0.916 -24.102 8.127 1.00 0.00 H new ATOM 0 HD1 HIS A 139 -0.586 -22.319 5.088 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -1.711 -24.678 8.381 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -2.935 -23.199 4.616 1.00 0.00 H new ATOM 2207 N HIS A 140 0.279 -22.224 11.138 1.00 0.00 N ATOM 2208 CA HIS A 140 0.635 -22.616 12.491 1.00 0.00 C ATOM 2209 C HIS A 140 -0.572 -23.266 13.171 1.00 0.00 C ATOM 2210 O HIS A 140 -1.497 -22.575 13.595 1.00 0.00 O ATOM 2211 CB HIS A 140 1.186 -21.423 13.276 1.00 0.00 C ATOM 2212 CG HIS A 140 1.952 -21.807 14.519 1.00 0.00 C ATOM 2213 ND1 HIS A 140 3.183 -22.437 14.476 1.00 0.00 N ATOM 2214 CD2 HIS A 140 1.649 -21.642 15.839 1.00 0.00 C ATOM 2215 CE1 HIS A 140 3.594 -22.638 15.720 1.00 0.00 C ATOM 2216 NE2 HIS A 140 2.641 -22.146 16.563 1.00 0.00 N ATOM 0 H HIS A 140 -0.580 -21.679 11.064 1.00 0.00 H new ATOM 0 HA HIS A 140 1.434 -23.357 12.460 1.00 0.00 H new ATOM 0 HB2 HIS A 140 1.839 -20.843 12.624 1.00 0.00 H new ATOM 0 HB3 HIS A 140 0.358 -20.773 13.558 1.00 0.00 H new ATOM 0 HD2 HIS A 140 0.754 -21.180 16.229 1.00 0.00 H new ATOM 0 HE1 HIS A 140 4.520 -23.109 16.014 1.00 0.00 H new ATOM 0 HE2 HIS A 140 2.684 -22.163 17.582 1.00 0.00 H new ATOM 2224 N HIS A 141 -0.523 -24.588 13.253 1.00 0.00 N ATOM 2225 CA HIS A 141 -1.600 -25.339 13.874 1.00 0.00 C ATOM 2226 C HIS A 141 -1.100 -25.975 15.173 1.00 0.00 C ATOM 2227 O HIS A 141 0.079 -26.301 15.295 1.00 0.00 O ATOM 2228 CB HIS A 141 -2.181 -26.363 12.897 1.00 0.00 C ATOM 2229 CG HIS A 141 -3.257 -25.809 11.994 1.00 0.00 C ATOM 2230 ND1 HIS A 141 -3.167 -25.148 10.804 1.00 0.00 N flip ATOM 2231 CD2 HIS A 141 -4.606 -25.909 12.285 1.00 0.00 C flip ATOM 2232 CE1 HIS A 141 -4.396 -24.861 10.390 1.00 0.00 C flip ATOM 2233 NE2 HIS A 141 -5.289 -25.332 11.307 1.00 0.00 N flip ATOM 0 H HIS A 141 0.246 -25.158 12.900 1.00 0.00 H new ATOM 0 HA HIS A 141 -2.417 -24.665 14.132 1.00 0.00 H new ATOM 0 HB2 HIS A 141 -1.374 -26.761 12.282 1.00 0.00 H new ATOM 0 HB3 HIS A 141 -2.592 -27.199 13.464 1.00 0.00 H new ATOM 0 HD2 HIS A 141 -5.030 -26.378 13.161 1.00 0.00 H new ATOM 0 HE1 HIS A 141 -4.647 -24.340 9.478 1.00 0.00 H new ATOM 0 HE2 HIS A 141 -6.304 -25.254 11.250 1.00 0.00 H new ATOM 2241 N HIS A 142 -2.023 -26.133 16.110 1.00 0.00 N ATOM 2242 CA HIS A 142 -1.691 -26.724 17.395 1.00 0.00 C ATOM 2243 C HIS A 142 -2.964 -27.251 18.062 1.00 0.00 C ATOM 2244 O HIS A 142 -4.059 -26.763 17.789 1.00 0.00 O ATOM 2245 CB HIS A 142 -0.931 -25.727 18.272 1.00 0.00 C ATOM 2246 CG HIS A 142 -1.741 -24.516 18.668 1.00 0.00 C ATOM 2247 ND1 HIS A 142 -2.966 -24.086 18.247 1.00 0.00 N flip ATOM 2248 CD2 HIS A 142 -1.302 -23.592 19.600 1.00 0.00 C flip ATOM 2249 CE1 HIS A 142 -3.259 -22.962 18.889 1.00 0.00 C flip ATOM 2250 NE2 HIS A 142 -2.229 -22.654 19.728 1.00 0.00 N flip ATOM 0 H HIS A 142 -3.001 -25.862 16.005 1.00 0.00 H new ATOM 0 HA HIS A 142 -1.022 -27.572 17.247 1.00 0.00 H new ATOM 0 HB2 HIS A 142 -0.593 -26.236 19.174 1.00 0.00 H new ATOM 0 HB3 HIS A 142 -0.039 -25.397 17.740 1.00 0.00 H new ATOM 0 HD1 HIS A 142 -3.556 -24.550 17.556 1.00 0.00 H new ATOM 0 HD2 HIS A 142 -0.363 -23.629 20.133 1.00 0.00 H new ATOM 0 HE1 HIS A 142 -4.164 -22.386 18.767 1.00 0.00 H new ATOM 2258 N HIS A 143 -2.776 -28.240 18.924 1.00 0.00 N ATOM 2259 CA HIS A 143 -3.895 -28.838 19.632 1.00 0.00 C ATOM 2260 C HIS A 143 -4.861 -29.467 18.626 1.00 0.00 C ATOM 2261 O HIS A 143 -5.721 -30.262 19.001 1.00 0.00 O ATOM 2262 CB HIS A 143 -4.572 -27.812 20.543 1.00 0.00 C ATOM 2263 CG HIS A 143 -5.917 -28.252 21.070 1.00 0.00 C ATOM 2264 ND1 HIS A 143 -7.044 -27.450 21.013 1.00 0.00 N ATOM 2265 CD2 HIS A 143 -6.303 -29.417 21.664 1.00 0.00 C ATOM 2266 CE1 HIS A 143 -8.056 -28.113 21.551 1.00 0.00 C ATOM 2267 NE2 HIS A 143 -7.596 -29.332 21.955 1.00 0.00 N ATOM 0 H HIS A 143 -1.866 -28.642 19.148 1.00 0.00 H new ATOM 0 HA HIS A 143 -3.535 -29.634 20.284 1.00 0.00 H new ATOM 0 HB2 HIS A 143 -3.914 -27.600 21.386 1.00 0.00 H new ATOM 0 HB3 HIS A 143 -4.696 -26.879 19.993 1.00 0.00 H new ATOM 0 HD2 HIS A 143 -5.665 -30.265 21.864 1.00 0.00 H new ATOM 0 HE1 HIS A 143 -9.069 -27.752 21.652 1.00 0.00 H new ATOM 0 HE2 HIS A 143 -8.153 -30.058 22.406 1.00 0.00 H new TER 2275 HIS A 143