USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 764 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= -0.0144 (180deg=-0.13) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.31) USER MOD Single : A 9 GLN : amide:sc= -1.7 X(o=-1.7,f=-1.8) USER MOD Single : A 11 ASN : amide:sc= -0.0561 X(o=-0.056,f=0) USER MOD Single : A 17 THR OG1 : rot -107:sc= 0.993 USER MOD Single : A 18 ASN : amide:sc= 0.599 K(o=0.6,f=-8.1!) USER MOD Single : A 19 GLN : amide:sc= -0.146 K(o=-0.15,f=-0.85) USER MOD Single : A 22 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.16) USER MOD Single : A 25 THR OG1 : rot 92:sc= 1.27 USER MOD Single : A 26 THR OG1 : rot -170:sc= -0.155 USER MOD Single : A 32 LYS NZ :NH3+ -158:sc= 2.44 (180deg=1.81) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -136:sc= 2.43 (180deg=-0.205) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0224 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 1.12 K(o=1.1,f=-0.47) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.755 K(o=-0.76,f=-4.6!) USER MOD Single : A 60 GLN : amide:sc= -0.343 K(o=-0.34,f=-1.4) USER MOD Single : A 61 HIS : no HD1:sc= 0.93 K(o=0.93,f=-3.3!) USER MOD Single : A 65 THR OG1 : rot -67:sc= 1.59 USER MOD Single : A 66 SER OG : rot 56:sc= 1.28 USER MOD Single : A 67 CYS SG : rot 3:sc= 0.187 USER MOD Single : A 75 LYS NZ :NH3+ 162:sc= 1.29 (180deg=1.06) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -1.53 X(o=-1.5,f=-1.8) USER MOD Single : A 80 TYR OH : rot 180:sc=-0.00191 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.0272 X(o=-0.027,f=0) USER MOD Single : A 92 HIS : no HE2:sc= 0.956 K(o=0.96,f=-2.9!) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.326 X(o=-0.33,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.214 25.815 -8.163 1.00 0.00 N ATOM 2 CA MET A 1 -8.972 24.354 -8.210 1.00 0.00 C ATOM 3 C MET A 1 -8.292 23.895 -6.924 1.00 0.00 C ATOM 4 O MET A 1 -7.096 24.115 -6.737 1.00 0.00 O ATOM 5 CB MET A 1 -8.088 23.985 -9.408 1.00 0.00 C ATOM 6 CG MET A 1 -8.611 24.483 -10.747 1.00 0.00 C ATOM 7 SD MET A 1 -10.251 23.849 -11.136 1.00 0.00 S ATOM 8 CE MET A 1 -10.507 24.565 -12.757 1.00 0.00 C ATOM 0 H1 MET A 1 -9.810 26.094 -8.968 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.696 26.059 -7.274 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.306 26.319 -8.213 1.00 0.00 H new ATOM 0 HA MET A 1 -9.935 23.855 -8.315 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.089 24.391 -9.247 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.988 22.900 -9.451 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.641 25.573 -10.738 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.917 24.190 -11.535 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.484 24.265 -13.137 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.464 25.652 -12.686 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.730 24.215 -13.436 1.00 0.00 H new ATOM 20 N PRO A 2 -9.055 23.277 -6.005 1.00 0.00 N ATOM 21 CA PRO A 2 -8.518 22.761 -4.737 1.00 0.00 C ATOM 22 C PRO A 2 -7.515 21.636 -4.961 1.00 0.00 C ATOM 23 O PRO A 2 -6.539 21.501 -4.219 1.00 0.00 O ATOM 24 CB PRO A 2 -9.757 22.236 -4.001 1.00 0.00 C ATOM 25 CG PRO A 2 -10.913 22.887 -4.679 1.00 0.00 C ATOM 26 CD PRO A 2 -10.502 23.047 -6.112 1.00 0.00 C ATOM 0 HA PRO A 2 -7.978 23.527 -4.181 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -9.823 21.150 -4.064 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.725 22.492 -2.942 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -11.812 22.276 -4.595 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -11.140 23.852 -4.226 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -10.729 22.158 -6.701 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -11.012 23.884 -6.589 1.00 0.00 H new ATOM 34 N ASP A 3 -7.773 20.825 -5.980 1.00 0.00 N ATOM 35 CA ASP A 3 -6.840 19.786 -6.396 1.00 0.00 C ATOM 36 C ASP A 3 -5.925 20.342 -7.482 1.00 0.00 C ATOM 37 O ASP A 3 -6.353 20.524 -8.624 1.00 0.00 O ATOM 38 CB ASP A 3 -7.587 18.554 -6.924 1.00 0.00 C ATOM 39 CG ASP A 3 -8.477 17.905 -5.881 1.00 0.00 C ATOM 40 OD1 ASP A 3 -7.994 17.017 -5.148 1.00 0.00 O ATOM 41 OD2 ASP A 3 -9.673 18.266 -5.803 1.00 0.00 O ATOM 0 H ASP A 3 -8.627 20.868 -6.536 1.00 0.00 H new ATOM 0 HA ASP A 3 -6.250 19.478 -5.533 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.194 18.845 -7.781 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -6.862 17.822 -7.280 1.00 0.00 H new ATOM 46 N PRO A 4 -4.662 20.640 -7.141 1.00 0.00 N ATOM 47 CA PRO A 4 -3.741 21.325 -8.050 1.00 0.00 C ATOM 48 C PRO A 4 -3.125 20.410 -9.106 1.00 0.00 C ATOM 49 O PRO A 4 -2.743 20.866 -10.183 1.00 0.00 O ATOM 50 CB PRO A 4 -2.663 21.854 -7.106 1.00 0.00 C ATOM 51 CG PRO A 4 -2.634 20.884 -5.974 1.00 0.00 C ATOM 52 CD PRO A 4 -4.034 20.336 -5.841 1.00 0.00 C ATOM 0 HA PRO A 4 -4.252 22.092 -8.632 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -1.695 21.909 -7.604 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -2.901 22.859 -6.759 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -1.921 20.083 -6.168 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -2.320 21.373 -5.052 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -4.026 19.264 -5.643 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -4.571 20.808 -5.018 1.00 0.00 H new ATOM 60 N LEU A 5 -3.033 19.123 -8.811 1.00 0.00 N ATOM 61 CA LEU A 5 -2.359 18.202 -9.707 1.00 0.00 C ATOM 62 C LEU A 5 -3.319 17.144 -10.235 1.00 0.00 C ATOM 63 O LEU A 5 -3.619 16.160 -9.557 1.00 0.00 O ATOM 64 CB LEU A 5 -1.172 17.542 -9.001 1.00 0.00 C ATOM 65 CG LEU A 5 -0.270 16.692 -9.899 1.00 0.00 C ATOM 66 CD1 LEU A 5 0.328 17.541 -11.008 1.00 0.00 C ATOM 67 CD2 LEU A 5 0.832 16.043 -9.081 1.00 0.00 C ATOM 0 H LEU A 5 -3.413 18.697 -7.966 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.988 18.773 -10.558 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.566 18.321 -8.538 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.552 16.913 -8.196 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.876 15.907 -10.351 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.967 16.921 -11.637 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.473 17.967 -11.612 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.920 18.345 -10.571 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.464 15.442 -9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.434 16.816 -8.604 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.390 15.404 -8.317 1.00 0.00 H new ATOM 79 N MET A 6 -3.815 17.369 -11.444 1.00 0.00 N ATOM 80 CA MET A 6 -4.660 16.393 -12.122 1.00 0.00 C ATOM 81 C MET A 6 -4.005 15.970 -13.429 1.00 0.00 C ATOM 82 O MET A 6 -4.590 15.244 -14.233 1.00 0.00 O ATOM 83 CB MET A 6 -6.047 16.984 -12.404 1.00 0.00 C ATOM 84 CG MET A 6 -6.030 18.160 -13.375 1.00 0.00 C ATOM 85 SD MET A 6 -7.679 18.790 -13.743 1.00 0.00 S ATOM 86 CE MET A 6 -7.293 20.099 -14.907 1.00 0.00 C ATOM 0 H MET A 6 -3.647 18.222 -11.978 1.00 0.00 H new ATOM 0 HA MET A 6 -4.778 15.524 -11.475 1.00 0.00 H new ATOM 0 HB2 MET A 6 -6.690 16.201 -12.807 1.00 0.00 H new ATOM 0 HB3 MET A 6 -6.491 17.308 -11.463 1.00 0.00 H new ATOM 0 HG2 MET A 6 -5.425 18.963 -12.954 1.00 0.00 H new ATOM 0 HG3 MET A 6 -5.549 17.851 -14.303 1.00 0.00 H new ATOM 0 HE1 MET A 6 -8.215 20.585 -15.227 1.00 0.00 H new ATOM 0 HE2 MET A 6 -6.644 20.832 -14.428 1.00 0.00 H new ATOM 0 HE3 MET A 6 -6.785 19.677 -15.774 1.00 0.00 H new ATOM 96 N TYR A 7 -2.778 16.432 -13.625 1.00 0.00 N ATOM 97 CA TYR A 7 -2.062 16.210 -14.871 1.00 0.00 C ATOM 98 C TYR A 7 -1.272 14.912 -14.797 1.00 0.00 C ATOM 99 O TYR A 7 -1.614 13.920 -15.444 1.00 0.00 O ATOM 100 CB TYR A 7 -1.112 17.382 -15.148 1.00 0.00 C ATOM 101 CG TYR A 7 -1.706 18.739 -14.830 1.00 0.00 C ATOM 102 CD1 TYR A 7 -2.444 19.443 -15.774 1.00 0.00 C ATOM 103 CD2 TYR A 7 -1.526 19.314 -13.578 1.00 0.00 C ATOM 104 CE1 TYR A 7 -2.983 20.683 -15.478 1.00 0.00 C ATOM 105 CE2 TYR A 7 -2.061 20.548 -13.277 1.00 0.00 C ATOM 106 CZ TYR A 7 -2.789 21.228 -14.226 1.00 0.00 C ATOM 107 OH TYR A 7 -3.318 22.461 -13.922 1.00 0.00 O ATOM 0 H TYR A 7 -2.256 16.966 -12.931 1.00 0.00 H new ATOM 0 HA TYR A 7 -2.786 16.139 -15.683 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.203 17.247 -14.562 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -0.820 17.361 -16.198 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -2.599 19.016 -16.754 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.957 18.785 -12.828 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.552 21.220 -16.223 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -1.909 20.980 -12.299 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.089 22.697 -12.999 1.00 0.00 H new ATOM 117 N GLN A 8 -0.223 14.925 -13.988 1.00 0.00 N ATOM 118 CA GLN A 8 0.630 13.764 -13.814 1.00 0.00 C ATOM 119 C GLN A 8 1.235 13.780 -12.416 1.00 0.00 C ATOM 120 O GLN A 8 1.944 14.716 -12.046 1.00 0.00 O ATOM 121 CB GLN A 8 1.736 13.758 -14.867 1.00 0.00 C ATOM 122 CG GLN A 8 2.496 12.446 -14.949 1.00 0.00 C ATOM 123 CD GLN A 8 1.599 11.269 -15.281 1.00 0.00 C ATOM 124 OE1 GLN A 8 1.090 10.592 -14.391 1.00 0.00 O ATOM 125 NE2 GLN A 8 1.384 11.030 -16.563 1.00 0.00 N ATOM 0 H GLN A 8 0.058 15.737 -13.438 1.00 0.00 H new ATOM 0 HA GLN A 8 0.032 12.861 -13.935 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.298 13.975 -15.841 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.439 14.561 -14.647 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.275 12.529 -15.707 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.995 12.260 -13.998 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.826 11.615 -17.272 1.00 0.00 H new ATOM 0 HE22 GLN A 8 0.777 10.260 -16.843 1.00 0.00 H new ATOM 134 N GLN A 9 0.938 12.750 -11.643 1.00 0.00 N ATOM 135 CA GLN A 9 1.378 12.680 -10.258 1.00 0.00 C ATOM 136 C GLN A 9 2.802 12.145 -10.178 1.00 0.00 C ATOM 137 O GLN A 9 3.360 11.687 -11.177 1.00 0.00 O ATOM 138 CB GLN A 9 0.445 11.789 -9.426 1.00 0.00 C ATOM 139 CG GLN A 9 -1.002 12.269 -9.321 1.00 0.00 C ATOM 140 CD GLN A 9 -1.755 12.215 -10.638 1.00 0.00 C ATOM 141 OE1 GLN A 9 -1.835 13.203 -11.366 1.00 0.00 O ATOM 142 NE2 GLN A 9 -2.279 11.047 -10.968 1.00 0.00 N ATOM 0 H GLN A 9 0.391 11.946 -11.952 1.00 0.00 H new ATOM 0 HA GLN A 9 1.350 13.690 -9.849 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.447 10.788 -9.857 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.855 11.703 -8.420 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.527 11.658 -8.586 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.011 13.293 -8.948 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -2.191 10.251 -10.336 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -2.772 10.941 -11.855 1.00 0.00 H new ATOM 151 N ASP A 10 3.392 12.219 -8.993 1.00 0.00 N ATOM 152 CA ASP A 10 4.728 11.681 -8.768 1.00 0.00 C ATOM 153 C ASP A 10 4.716 10.168 -8.946 1.00 0.00 C ATOM 154 O ASP A 10 3.713 9.508 -8.658 1.00 0.00 O ATOM 155 CB ASP A 10 5.229 12.043 -7.365 1.00 0.00 C ATOM 156 CG ASP A 10 5.404 13.539 -7.168 1.00 0.00 C ATOM 157 OD1 ASP A 10 4.385 14.236 -6.944 1.00 0.00 O ATOM 158 OD2 ASP A 10 6.556 14.026 -7.228 1.00 0.00 O ATOM 0 H ASP A 10 2.966 12.647 -8.171 1.00 0.00 H new ATOM 0 HA ASP A 10 5.406 12.121 -9.499 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.525 11.664 -6.624 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.181 11.544 -7.185 1.00 0.00 H new ATOM 163 N ASN A 11 5.825 9.616 -9.413 1.00 0.00 N ATOM 164 CA ASN A 11 5.893 8.191 -9.704 1.00 0.00 C ATOM 165 C ASN A 11 6.702 7.465 -8.641 1.00 0.00 C ATOM 166 O ASN A 11 7.752 7.940 -8.205 1.00 0.00 O ATOM 167 CB ASN A 11 6.510 7.937 -11.085 1.00 0.00 C ATOM 168 CG ASN A 11 5.710 8.562 -12.214 1.00 0.00 C ATOM 169 OD1 ASN A 11 5.971 9.694 -12.624 1.00 0.00 O ATOM 170 ND2 ASN A 11 4.731 7.830 -12.725 1.00 0.00 N ATOM 0 H ASN A 11 6.687 10.129 -9.598 1.00 0.00 H new ATOM 0 HA ASN A 11 4.873 7.806 -9.702 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.525 8.334 -11.102 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.585 6.862 -11.252 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.162 8.200 -13.486 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.547 6.897 -12.357 1.00 0.00 H new ATOM 177 N PHE A 12 6.203 6.313 -8.229 1.00 0.00 N ATOM 178 CA PHE A 12 6.848 5.525 -7.196 1.00 0.00 C ATOM 179 C PHE A 12 7.427 4.257 -7.796 1.00 0.00 C ATOM 180 O PHE A 12 6.814 3.639 -8.670 1.00 0.00 O ATOM 181 CB PHE A 12 5.852 5.164 -6.091 1.00 0.00 C ATOM 182 CG PHE A 12 5.276 6.357 -5.387 1.00 0.00 C ATOM 183 CD1 PHE A 12 4.145 6.988 -5.878 1.00 0.00 C ATOM 184 CD2 PHE A 12 5.865 6.848 -4.233 1.00 0.00 C ATOM 185 CE1 PHE A 12 3.615 8.087 -5.232 1.00 0.00 C ATOM 186 CE2 PHE A 12 5.337 7.945 -3.585 1.00 0.00 C ATOM 187 CZ PHE A 12 4.211 8.565 -4.085 1.00 0.00 C ATOM 0 H PHE A 12 5.346 5.901 -8.598 1.00 0.00 H new ATOM 0 HA PHE A 12 7.652 6.120 -6.762 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.039 4.580 -6.523 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.349 4.526 -5.360 1.00 0.00 H new ATOM 0 HD1 PHE A 12 3.673 6.616 -6.775 1.00 0.00 H new ATOM 0 HD2 PHE A 12 6.747 6.367 -3.837 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.734 8.572 -5.625 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.805 8.318 -2.686 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.797 9.424 -3.578 1.00 0.00 H new ATOM 197 N VAL A 13 8.604 3.879 -7.331 1.00 0.00 N ATOM 198 CA VAL A 13 9.248 2.672 -7.809 1.00 0.00 C ATOM 199 C VAL A 13 8.761 1.471 -7.011 1.00 0.00 C ATOM 200 O VAL A 13 8.991 1.377 -5.805 1.00 0.00 O ATOM 201 CB VAL A 13 10.784 2.779 -7.720 1.00 0.00 C ATOM 202 CG1 VAL A 13 11.448 1.502 -8.209 1.00 0.00 C ATOM 203 CG2 VAL A 13 11.277 3.969 -8.525 1.00 0.00 C ATOM 0 H VAL A 13 9.132 4.391 -6.624 1.00 0.00 H new ATOM 0 HA VAL A 13 8.982 2.542 -8.858 1.00 0.00 H new ATOM 0 HB VAL A 13 11.054 2.924 -6.674 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.531 1.604 -8.136 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.120 0.663 -7.595 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.170 1.322 -9.247 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.363 4.032 -8.453 1.00 0.00 H new ATOM 0 HG22 VAL A 13 10.989 3.846 -9.569 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.833 4.884 -8.131 1.00 0.00 H new ATOM 213 N VAL A 14 8.070 0.575 -7.695 1.00 0.00 N ATOM 214 CA VAL A 14 7.485 -0.598 -7.070 1.00 0.00 C ATOM 215 C VAL A 14 8.306 -1.835 -7.403 1.00 0.00 C ATOM 216 O VAL A 14 8.269 -2.342 -8.528 1.00 0.00 O ATOM 217 CB VAL A 14 6.025 -0.803 -7.532 1.00 0.00 C ATOM 218 CG1 VAL A 14 5.428 -2.060 -6.921 1.00 0.00 C ATOM 219 CG2 VAL A 14 5.183 0.411 -7.178 1.00 0.00 C ATOM 0 H VAL A 14 7.899 0.640 -8.698 1.00 0.00 H new ATOM 0 HA VAL A 14 7.488 -0.441 -5.991 1.00 0.00 H new ATOM 0 HB VAL A 14 6.027 -0.924 -8.615 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.400 -2.178 -7.264 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.014 -2.927 -7.226 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.441 -1.978 -5.834 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.157 0.252 -7.510 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.196 0.561 -6.098 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.591 1.293 -7.671 1.00 0.00 H new ATOM 229 N LEU A 15 9.058 -2.307 -6.426 1.00 0.00 N ATOM 230 CA LEU A 15 9.943 -3.438 -6.628 1.00 0.00 C ATOM 231 C LEU A 15 9.402 -4.684 -5.941 1.00 0.00 C ATOM 232 O LEU A 15 9.339 -4.749 -4.714 1.00 0.00 O ATOM 233 CB LEU A 15 11.335 -3.111 -6.090 1.00 0.00 C ATOM 234 CG LEU A 15 12.007 -1.895 -6.730 1.00 0.00 C ATOM 235 CD1 LEU A 15 13.295 -1.553 -6.000 1.00 0.00 C ATOM 236 CD2 LEU A 15 12.282 -2.149 -8.207 1.00 0.00 C ATOM 0 H LEU A 15 9.073 -1.923 -5.481 1.00 0.00 H new ATOM 0 HA LEU A 15 10.005 -3.637 -7.698 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.262 -2.943 -5.015 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.977 -3.980 -6.234 1.00 0.00 H new ATOM 0 HG LEU A 15 11.328 -1.046 -6.649 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.760 -0.686 -6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.073 -1.326 -4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.978 -2.401 -6.050 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.760 -1.272 -8.644 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.940 -3.011 -8.311 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.342 -2.345 -8.724 1.00 0.00 H new ATOM 248 N GLU A 16 9.000 -5.661 -6.742 1.00 0.00 N ATOM 249 CA GLU A 16 8.576 -6.950 -6.222 1.00 0.00 C ATOM 250 C GLU A 16 9.663 -7.989 -6.461 1.00 0.00 C ATOM 251 O GLU A 16 10.527 -7.808 -7.318 1.00 0.00 O ATOM 252 CB GLU A 16 7.263 -7.402 -6.866 1.00 0.00 C ATOM 253 CG GLU A 16 6.057 -6.580 -6.435 1.00 0.00 C ATOM 254 CD GLU A 16 4.747 -7.153 -6.937 1.00 0.00 C ATOM 255 OE1 GLU A 16 4.562 -8.386 -6.854 1.00 0.00 O ATOM 256 OE2 GLU A 16 3.888 -6.376 -7.404 1.00 0.00 O ATOM 0 H GLU A 16 8.959 -5.583 -7.758 1.00 0.00 H new ATOM 0 HA GLU A 16 8.407 -6.846 -5.150 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.362 -7.346 -7.950 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.087 -8.448 -6.616 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.031 -6.524 -5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.167 -5.560 -6.804 1.00 0.00 H new ATOM 263 N THR A 17 9.614 -9.067 -5.696 1.00 0.00 N ATOM 264 CA THR A 17 10.612 -10.129 -5.772 1.00 0.00 C ATOM 265 C THR A 17 10.666 -10.788 -7.154 1.00 0.00 C ATOM 266 O THR A 17 11.747 -11.078 -7.675 1.00 0.00 O ATOM 267 CB THR A 17 10.323 -11.202 -4.701 1.00 0.00 C ATOM 268 OG1 THR A 17 10.450 -10.622 -3.400 1.00 0.00 O ATOM 269 CG2 THR A 17 11.265 -12.394 -4.823 1.00 0.00 C ATOM 0 H THR A 17 8.883 -9.234 -5.004 1.00 0.00 H new ATOM 0 HA THR A 17 11.583 -9.667 -5.591 1.00 0.00 H new ATOM 0 HB THR A 17 9.307 -11.564 -4.855 1.00 0.00 H new ATOM 0 HG1 THR A 17 11.271 -10.947 -2.976 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.028 -13.126 -4.051 1.00 0.00 H new ATOM 0 HG22 THR A 17 11.147 -12.852 -5.805 1.00 0.00 H new ATOM 0 HG23 THR A 17 12.295 -12.058 -4.700 1.00 0.00 H new ATOM 277 N ASN A 18 9.505 -11.005 -7.749 1.00 0.00 N ATOM 278 CA ASN A 18 9.422 -11.768 -8.985 1.00 0.00 C ATOM 279 C ASN A 18 9.297 -10.874 -10.214 1.00 0.00 C ATOM 280 O ASN A 18 10.173 -10.888 -11.082 1.00 0.00 O ATOM 281 CB ASN A 18 8.272 -12.783 -8.908 1.00 0.00 C ATOM 282 CG ASN A 18 7.022 -12.245 -8.228 1.00 0.00 C ATOM 283 OD1 ASN A 18 6.703 -11.058 -8.312 1.00 0.00 O ATOM 284 ND2 ASN A 18 6.329 -13.113 -7.514 1.00 0.00 N ATOM 0 H ASN A 18 8.609 -10.665 -7.398 1.00 0.00 H new ATOM 0 HA ASN A 18 10.359 -12.313 -9.099 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.015 -13.104 -9.917 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.615 -13.667 -8.370 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.498 -12.808 -7.008 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.625 -14.088 -7.469 1.00 0.00 H new ATOM 291 N GLN A 19 8.232 -10.097 -10.296 1.00 0.00 N ATOM 292 CA GLN A 19 8.003 -9.261 -11.464 1.00 0.00 C ATOM 293 C GLN A 19 7.623 -7.846 -11.034 1.00 0.00 C ATOM 294 O GLN A 19 6.477 -7.587 -10.665 1.00 0.00 O ATOM 295 CB GLN A 19 6.902 -9.880 -12.337 1.00 0.00 C ATOM 296 CG GLN A 19 7.060 -9.619 -13.833 1.00 0.00 C ATOM 297 CD GLN A 19 6.828 -8.171 -14.227 1.00 0.00 C ATOM 298 OE1 GLN A 19 6.057 -7.456 -13.593 1.00 0.00 O ATOM 299 NE2 GLN A 19 7.482 -7.733 -15.290 1.00 0.00 N ATOM 0 H GLN A 19 7.515 -10.026 -9.574 1.00 0.00 H new ATOM 0 HA GLN A 19 8.920 -9.203 -12.050 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.884 -10.957 -12.169 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.937 -9.491 -12.013 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.063 -9.914 -14.140 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.360 -10.252 -14.379 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.115 -8.356 -15.792 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.354 -6.772 -15.608 1.00 0.00 H new ATOM 308 N PRO A 20 8.598 -6.928 -11.023 1.00 0.00 N ATOM 309 CA PRO A 20 8.355 -5.523 -10.718 1.00 0.00 C ATOM 310 C PRO A 20 7.928 -4.721 -11.951 1.00 0.00 C ATOM 311 O PRO A 20 8.339 -5.018 -13.074 1.00 0.00 O ATOM 312 CB PRO A 20 9.715 -5.049 -10.212 1.00 0.00 C ATOM 313 CG PRO A 20 10.712 -5.890 -10.940 1.00 0.00 C ATOM 314 CD PRO A 20 10.023 -7.187 -11.297 1.00 0.00 C ATOM 0 HA PRO A 20 7.542 -5.388 -10.005 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.866 -3.990 -10.419 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.802 -5.178 -9.133 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.063 -5.381 -11.837 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.586 -6.077 -10.317 1.00 0.00 H new ATOM 0 HD2 PRO A 20 10.186 -7.450 -12.342 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.399 -8.016 -10.697 1.00 0.00 H new ATOM 322 N GLU A 21 7.119 -3.692 -11.731 1.00 0.00 N ATOM 323 CA GLU A 21 6.654 -2.831 -12.817 1.00 0.00 C ATOM 324 C GLU A 21 7.507 -1.572 -12.914 1.00 0.00 C ATOM 325 O GLU A 21 7.113 -0.587 -13.541 1.00 0.00 O ATOM 326 CB GLU A 21 5.186 -2.460 -12.601 1.00 0.00 C ATOM 327 CG GLU A 21 4.224 -3.580 -12.950 1.00 0.00 C ATOM 328 CD GLU A 21 4.273 -3.942 -14.421 1.00 0.00 C ATOM 329 OE1 GLU A 21 3.821 -3.128 -15.252 1.00 0.00 O ATOM 330 OE2 GLU A 21 4.774 -5.031 -14.760 1.00 0.00 O ATOM 0 H GLU A 21 6.769 -3.431 -10.809 1.00 0.00 H new ATOM 0 HA GLU A 21 6.748 -3.379 -13.754 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.040 -2.177 -11.558 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.947 -1.585 -13.205 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.463 -4.460 -12.353 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.210 -3.281 -12.685 1.00 0.00 H new ATOM 337 N GLN A 22 8.690 -1.636 -12.305 1.00 0.00 N ATOM 338 CA GLN A 22 9.625 -0.513 -12.246 1.00 0.00 C ATOM 339 C GLN A 22 9.023 0.656 -11.470 1.00 0.00 C ATOM 340 O GLN A 22 9.217 0.761 -10.264 1.00 0.00 O ATOM 341 CB GLN A 22 10.069 -0.065 -13.646 1.00 0.00 C ATOM 342 CG GLN A 22 10.718 -1.170 -14.468 1.00 0.00 C ATOM 343 CD GLN A 22 11.809 -1.908 -13.713 1.00 0.00 C ATOM 344 OE1 GLN A 22 11.552 -2.921 -13.059 1.00 0.00 O ATOM 345 NE2 GLN A 22 13.028 -1.402 -13.785 1.00 0.00 N ATOM 0 H GLN A 22 9.029 -2.475 -11.835 1.00 0.00 H new ATOM 0 HA GLN A 22 10.513 -0.858 -11.717 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.203 0.316 -14.187 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.772 0.762 -13.547 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.953 -1.882 -14.778 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.140 -0.740 -15.376 1.00 0.00 H new ATOM 0 HE21 GLN A 22 13.200 -0.562 -14.337 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.797 -1.852 -13.288 1.00 0.00 H new ATOM 354 N PHE A 23 8.266 1.507 -12.146 1.00 0.00 N ATOM 355 CA PHE A 23 7.665 2.662 -11.500 1.00 0.00 C ATOM 356 C PHE A 23 6.299 2.973 -12.104 1.00 0.00 C ATOM 357 O PHE A 23 6.103 2.874 -13.318 1.00 0.00 O ATOM 358 CB PHE A 23 8.591 3.888 -11.589 1.00 0.00 C ATOM 359 CG PHE A 23 8.888 4.355 -12.988 1.00 0.00 C ATOM 360 CD1 PHE A 23 9.886 3.752 -13.738 1.00 0.00 C ATOM 361 CD2 PHE A 23 8.175 5.403 -13.547 1.00 0.00 C ATOM 362 CE1 PHE A 23 10.165 4.186 -15.020 1.00 0.00 C ATOM 363 CE2 PHE A 23 8.450 5.842 -14.828 1.00 0.00 C ATOM 364 CZ PHE A 23 9.447 5.233 -15.565 1.00 0.00 C ATOM 0 H PHE A 23 8.054 1.419 -13.140 1.00 0.00 H new ATOM 0 HA PHE A 23 7.524 2.421 -10.446 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.136 4.710 -11.036 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.532 3.652 -11.093 1.00 0.00 H new ATOM 0 HD1 PHE A 23 10.451 2.934 -13.316 1.00 0.00 H new ATOM 0 HD2 PHE A 23 7.395 5.883 -12.975 1.00 0.00 H new ATOM 0 HE1 PHE A 23 10.944 3.707 -15.595 1.00 0.00 H new ATOM 0 HE2 PHE A 23 7.886 6.660 -15.252 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.665 5.575 -16.566 1.00 0.00 H new ATOM 374 N LEU A 24 5.356 3.320 -11.241 1.00 0.00 N ATOM 375 CA LEU A 24 4.009 3.680 -11.662 1.00 0.00 C ATOM 376 C LEU A 24 3.544 4.936 -10.930 1.00 0.00 C ATOM 377 O LEU A 24 4.243 5.439 -10.048 1.00 0.00 O ATOM 378 CB LEU A 24 3.053 2.509 -11.418 1.00 0.00 C ATOM 379 CG LEU A 24 3.288 1.731 -10.118 1.00 0.00 C ATOM 380 CD1 LEU A 24 2.753 2.487 -8.914 1.00 0.00 C ATOM 381 CD2 LEU A 24 2.665 0.351 -10.204 1.00 0.00 C ATOM 0 H LEU A 24 5.501 3.360 -10.232 1.00 0.00 H new ATOM 0 HA LEU A 24 4.014 3.898 -12.730 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.032 2.890 -11.414 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.132 1.816 -12.256 1.00 0.00 H new ATOM 0 HG LEU A 24 4.364 1.619 -9.986 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.936 1.907 -8.009 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.257 3.450 -8.836 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.681 2.647 -9.032 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.842 -0.187 -9.272 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.592 0.446 -10.370 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.113 -0.199 -11.031 1.00 0.00 H new ATOM 393 N THR A 25 2.377 5.445 -11.294 1.00 0.00 N ATOM 394 CA THR A 25 1.875 6.682 -10.713 1.00 0.00 C ATOM 395 C THR A 25 1.230 6.427 -9.347 1.00 0.00 C ATOM 396 O THR A 25 0.919 5.284 -8.999 1.00 0.00 O ATOM 397 CB THR A 25 0.860 7.354 -11.657 1.00 0.00 C ATOM 398 OG1 THR A 25 1.178 7.020 -13.015 1.00 0.00 O ATOM 399 CG2 THR A 25 0.888 8.865 -11.493 1.00 0.00 C ATOM 0 H THR A 25 1.760 5.022 -11.988 1.00 0.00 H new ATOM 0 HA THR A 25 2.724 7.352 -10.574 1.00 0.00 H new ATOM 0 HB THR A 25 -0.138 6.994 -11.406 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.688 6.213 -13.277 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.163 9.318 -12.170 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.636 9.124 -10.465 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.885 9.238 -11.727 1.00 0.00 H new ATOM 407 N THR A 26 1.038 7.497 -8.579 1.00 0.00 N ATOM 408 CA THR A 26 0.477 7.417 -7.233 1.00 0.00 C ATOM 409 C THR A 26 -0.846 6.647 -7.201 1.00 0.00 C ATOM 410 O THR A 26 -1.086 5.848 -6.297 1.00 0.00 O ATOM 411 CB THR A 26 0.237 8.830 -6.677 1.00 0.00 C ATOM 412 OG1 THR A 26 1.343 9.677 -7.014 1.00 0.00 O ATOM 413 CG2 THR A 26 0.054 8.803 -5.165 1.00 0.00 C ATOM 0 H THR A 26 1.268 8.446 -8.874 1.00 0.00 H new ATOM 0 HA THR A 26 1.201 6.881 -6.619 1.00 0.00 H new ATOM 0 HB THR A 26 -0.677 9.221 -7.125 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.265 10.525 -6.529 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.114 9.816 -4.801 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.804 8.180 -4.913 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.949 8.393 -4.697 1.00 0.00 H new ATOM 421 N ILE A 27 -1.688 6.877 -8.202 1.00 0.00 N ATOM 422 CA ILE A 27 -3.024 6.295 -8.228 1.00 0.00 C ATOM 423 C ILE A 27 -2.964 4.783 -8.434 1.00 0.00 C ATOM 424 O ILE A 27 -3.660 4.029 -7.753 1.00 0.00 O ATOM 425 CB ILE A 27 -3.891 6.938 -9.331 1.00 0.00 C ATOM 426 CG1 ILE A 27 -3.941 8.459 -9.151 1.00 0.00 C ATOM 427 CG2 ILE A 27 -5.298 6.355 -9.322 1.00 0.00 C ATOM 428 CD1 ILE A 27 -4.526 8.903 -7.828 1.00 0.00 C ATOM 0 H ILE A 27 -1.468 7.463 -9.007 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.483 6.498 -7.260 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.436 6.716 -10.296 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.931 8.859 -9.243 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.530 8.891 -9.960 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.891 6.823 -10.108 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.248 5.280 -9.497 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.764 6.544 -8.355 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.527 9.992 -7.778 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.548 8.535 -7.740 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.925 8.502 -7.012 1.00 0.00 H new ATOM 440 N GLU A 28 -2.128 4.342 -9.366 1.00 0.00 N ATOM 441 CA GLU A 28 -1.953 2.916 -9.613 1.00 0.00 C ATOM 442 C GLU A 28 -1.418 2.220 -8.369 1.00 0.00 C ATOM 443 O GLU A 28 -1.817 1.100 -8.056 1.00 0.00 O ATOM 444 CB GLU A 28 -1.012 2.665 -10.796 1.00 0.00 C ATOM 445 CG GLU A 28 -1.546 3.159 -12.132 1.00 0.00 C ATOM 446 CD GLU A 28 -1.248 4.622 -12.379 1.00 0.00 C ATOM 447 OE1 GLU A 28 -1.962 5.487 -11.828 1.00 0.00 O ATOM 448 OE2 GLU A 28 -0.291 4.909 -13.125 1.00 0.00 O ATOM 0 H GLU A 28 -1.563 4.948 -9.961 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.931 2.503 -9.861 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.057 3.152 -10.596 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.815 1.595 -10.869 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.110 2.564 -12.935 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.624 3.002 -12.168 1.00 0.00 H new ATOM 455 N LEU A 29 -0.524 2.894 -7.655 1.00 0.00 N ATOM 456 CA LEU A 29 0.014 2.361 -6.410 1.00 0.00 C ATOM 457 C LEU A 29 -1.086 2.275 -5.358 1.00 0.00 C ATOM 458 O LEU A 29 -1.157 1.310 -4.599 1.00 0.00 O ATOM 459 CB LEU A 29 1.162 3.239 -5.903 1.00 0.00 C ATOM 460 CG LEU A 29 1.818 2.780 -4.595 1.00 0.00 C ATOM 461 CD1 LEU A 29 2.454 1.406 -4.757 1.00 0.00 C ATOM 462 CD2 LEU A 29 2.856 3.794 -4.142 1.00 0.00 C ATOM 0 H LEU A 29 -0.157 3.809 -7.917 1.00 0.00 H new ATOM 0 HA LEU A 29 0.401 1.360 -6.599 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.929 3.286 -6.676 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.787 4.253 -5.764 1.00 0.00 H new ATOM 0 HG LEU A 29 1.042 2.706 -3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.912 1.104 -3.815 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.689 0.682 -5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.217 1.447 -5.535 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.314 3.456 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.624 3.896 -4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.375 4.759 -3.980 1.00 0.00 H new ATOM 474 N LEU A 30 -1.951 3.282 -5.342 1.00 0.00 N ATOM 475 CA LEU A 30 -3.068 3.324 -4.411 1.00 0.00 C ATOM 476 C LEU A 30 -3.999 2.138 -4.655 1.00 0.00 C ATOM 477 O LEU A 30 -4.373 1.423 -3.723 1.00 0.00 O ATOM 478 CB LEU A 30 -3.836 4.642 -4.575 1.00 0.00 C ATOM 479 CG LEU A 30 -4.201 5.364 -3.275 1.00 0.00 C ATOM 480 CD1 LEU A 30 -4.922 6.669 -3.577 1.00 0.00 C ATOM 481 CD2 LEU A 30 -5.053 4.476 -2.385 1.00 0.00 C ATOM 0 H LEU A 30 -1.898 4.085 -5.969 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.684 3.264 -3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.237 5.316 -5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.754 4.440 -5.127 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.279 5.594 -2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.174 7.170 -2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.274 7.314 -4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.835 6.460 -4.135 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.300 5.010 -1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.971 4.210 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.500 3.569 -2.139 1.00 0.00 H new ATOM 493 N GLU A 31 -4.351 1.924 -5.919 1.00 0.00 N ATOM 494 CA GLU A 31 -5.239 0.830 -6.289 1.00 0.00 C ATOM 495 C GLU A 31 -4.563 -0.521 -6.072 1.00 0.00 C ATOM 496 O GLU A 31 -5.215 -1.507 -5.721 1.00 0.00 O ATOM 497 CB GLU A 31 -5.698 0.979 -7.744 1.00 0.00 C ATOM 498 CG GLU A 31 -6.509 2.244 -7.994 1.00 0.00 C ATOM 499 CD GLU A 31 -7.120 2.293 -9.380 1.00 0.00 C ATOM 500 OE1 GLU A 31 -8.116 1.579 -9.611 1.00 0.00 O ATOM 501 OE2 GLU A 31 -6.622 3.056 -10.236 1.00 0.00 O ATOM 0 H GLU A 31 -4.034 2.494 -6.703 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.117 0.873 -5.644 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.824 0.982 -8.395 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.297 0.111 -8.019 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.303 2.312 -7.251 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.867 3.114 -7.855 1.00 0.00 H new ATOM 508 N LYS A 32 -3.251 -0.554 -6.265 1.00 0.00 N ATOM 509 CA LYS A 32 -2.467 -1.765 -6.053 1.00 0.00 C ATOM 510 C LYS A 32 -2.465 -2.140 -4.572 1.00 0.00 C ATOM 511 O LYS A 32 -2.809 -3.263 -4.198 1.00 0.00 O ATOM 512 CB LYS A 32 -1.028 -1.544 -6.521 1.00 0.00 C ATOM 513 CG LYS A 32 -0.238 -2.826 -6.710 1.00 0.00 C ATOM 514 CD LYS A 32 1.255 -2.583 -6.563 1.00 0.00 C ATOM 515 CE LYS A 32 2.079 -3.729 -7.129 1.00 0.00 C ATOM 516 NZ LYS A 32 1.564 -5.065 -6.719 1.00 0.00 N ATOM 0 H LYS A 32 -2.703 0.250 -6.570 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.916 -2.575 -6.628 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.043 -0.996 -7.463 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.513 -0.915 -5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.562 -3.566 -5.978 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.445 -3.241 -7.696 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.523 -1.658 -7.073 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.498 -2.448 -5.509 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.084 -3.665 -8.217 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.113 -3.626 -6.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.325 -5.769 -6.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.232 -5.022 -5.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.774 -5.338 -7.339 1.00 0.00 H new ATOM 530 N LEU A 33 -2.091 -1.172 -3.737 1.00 0.00 N ATOM 531 CA LEU A 33 -1.974 -1.386 -2.299 1.00 0.00 C ATOM 532 C LEU A 33 -3.297 -1.786 -1.660 1.00 0.00 C ATOM 533 O LEU A 33 -3.301 -2.470 -0.649 1.00 0.00 O ATOM 534 CB LEU A 33 -1.417 -0.139 -1.610 1.00 0.00 C ATOM 535 CG LEU A 33 0.078 0.112 -1.824 1.00 0.00 C ATOM 536 CD1 LEU A 33 0.485 1.435 -1.201 1.00 0.00 C ATOM 537 CD2 LEU A 33 0.901 -1.029 -1.237 1.00 0.00 C ATOM 0 H LEU A 33 -1.862 -0.224 -4.037 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.280 -2.215 -2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.970 0.730 -1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.606 -0.220 -0.540 1.00 0.00 H new ATOM 0 HG LEU A 33 0.271 0.159 -2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.550 1.600 -1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.081 2.244 -1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.278 1.412 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.961 -0.834 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.705 -1.106 -0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.626 -1.964 -1.725 1.00 0.00 H new ATOM 549 N LYS A 34 -4.417 -1.365 -2.240 1.00 0.00 N ATOM 550 CA LYS A 34 -5.725 -1.764 -1.721 1.00 0.00 C ATOM 551 C LYS A 34 -5.899 -3.278 -1.803 1.00 0.00 C ATOM 552 O LYS A 34 -6.435 -3.894 -0.885 1.00 0.00 O ATOM 553 CB LYS A 34 -6.867 -1.061 -2.467 1.00 0.00 C ATOM 554 CG LYS A 34 -6.971 0.425 -2.166 1.00 0.00 C ATOM 555 CD LYS A 34 -8.246 1.029 -2.740 1.00 0.00 C ATOM 556 CE LYS A 34 -8.277 0.950 -4.257 1.00 0.00 C ATOM 557 NZ LYS A 34 -9.526 1.523 -4.823 1.00 0.00 N ATOM 0 H LYS A 34 -4.449 -0.756 -3.058 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.767 -1.459 -0.675 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.726 -1.196 -3.539 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.810 -1.542 -2.206 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.949 0.580 -1.087 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.105 0.942 -2.580 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.111 0.507 -2.331 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.326 2.071 -2.429 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.418 1.482 -4.665 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.184 -0.091 -4.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.504 1.448 -5.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.346 0.999 -4.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.604 2.524 -4.550 1.00 0.00 H new ATOM 571 N GLY A 35 -5.417 -3.876 -2.888 1.00 0.00 N ATOM 572 CA GLY A 35 -5.489 -5.320 -3.028 1.00 0.00 C ATOM 573 C GLY A 35 -4.483 -6.006 -2.130 1.00 0.00 C ATOM 574 O GLY A 35 -4.800 -6.985 -1.447 1.00 0.00 O ATOM 0 H GLY A 35 -4.979 -3.389 -3.670 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.494 -5.663 -2.781 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.303 -5.597 -4.066 1.00 0.00 H new ATOM 578 N GLU A 36 -3.271 -5.462 -2.120 1.00 0.00 N ATOM 579 CA GLU A 36 -2.212 -5.940 -1.242 1.00 0.00 C ATOM 580 C GLU A 36 -2.649 -5.877 0.220 1.00 0.00 C ATOM 581 O GLU A 36 -2.255 -6.706 1.035 1.00 0.00 O ATOM 582 CB GLU A 36 -0.954 -5.088 -1.436 1.00 0.00 C ATOM 583 CG GLU A 36 0.220 -5.832 -2.045 1.00 0.00 C ATOM 584 CD GLU A 36 -0.032 -6.291 -3.466 1.00 0.00 C ATOM 585 OE1 GLU A 36 -0.572 -7.403 -3.646 1.00 0.00 O ATOM 586 OE2 GLU A 36 0.335 -5.554 -4.407 1.00 0.00 O ATOM 0 H GLU A 36 -2.997 -4.682 -2.717 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.997 -6.978 -1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.200 -4.239 -2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.651 -4.684 -0.470 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.098 -5.186 -2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.452 -6.699 -1.426 1.00 0.00 H new ATOM 593 N LEU A 37 -3.475 -4.892 0.534 1.00 0.00 N ATOM 594 CA LEU A 37 -3.917 -4.655 1.897 1.00 0.00 C ATOM 595 C LEU A 37 -5.121 -5.523 2.263 1.00 0.00 C ATOM 596 O LEU A 37 -5.183 -6.064 3.365 1.00 0.00 O ATOM 597 CB LEU A 37 -4.261 -3.176 2.074 1.00 0.00 C ATOM 598 CG LEU A 37 -4.624 -2.750 3.493 1.00 0.00 C ATOM 599 CD1 LEU A 37 -3.458 -2.998 4.441 1.00 0.00 C ATOM 600 CD2 LEU A 37 -5.028 -1.286 3.514 1.00 0.00 C ATOM 0 H LEU A 37 -3.857 -4.236 -0.148 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.102 -4.927 2.568 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.410 -2.581 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.096 -2.934 1.416 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.470 -3.349 3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.736 -2.688 5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.210 -4.060 4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.592 -2.424 4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.285 -0.994 4.532 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.198 -0.674 3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.891 -1.137 2.865 1.00 0.00 H new ATOM 612 N GLU A 38 -6.071 -5.669 1.339 1.00 0.00 N ATOM 613 CA GLU A 38 -7.293 -6.421 1.625 1.00 0.00 C ATOM 614 C GLU A 38 -7.001 -7.910 1.814 1.00 0.00 C ATOM 615 O GLU A 38 -7.772 -8.623 2.458 1.00 0.00 O ATOM 616 CB GLU A 38 -8.336 -6.237 0.519 1.00 0.00 C ATOM 617 CG GLU A 38 -7.954 -6.886 -0.799 1.00 0.00 C ATOM 618 CD GLU A 38 -9.112 -6.964 -1.765 1.00 0.00 C ATOM 619 OE1 GLU A 38 -10.182 -7.483 -1.372 1.00 0.00 O ATOM 620 OE2 GLU A 38 -8.960 -6.534 -2.924 1.00 0.00 O ATOM 0 H GLU A 38 -6.020 -5.282 0.397 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.697 -6.023 2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.286 -6.652 0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.494 -5.171 0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.142 -6.321 -1.256 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.576 -7.890 -0.609 1.00 0.00 H new ATOM 627 N LYS A 39 -5.897 -8.382 1.245 1.00 0.00 N ATOM 628 CA LYS A 39 -5.503 -9.778 1.414 1.00 0.00 C ATOM 629 C LYS A 39 -4.734 -9.961 2.723 1.00 0.00 C ATOM 630 O LYS A 39 -4.264 -11.055 3.044 1.00 0.00 O ATOM 631 CB LYS A 39 -4.672 -10.260 0.220 1.00 0.00 C ATOM 632 CG LYS A 39 -3.316 -9.595 0.093 1.00 0.00 C ATOM 633 CD LYS A 39 -2.614 -10.016 -1.183 1.00 0.00 C ATOM 634 CE LYS A 39 -1.175 -9.542 -1.199 1.00 0.00 C ATOM 635 NZ LYS A 39 -0.512 -9.836 -2.495 1.00 0.00 N ATOM 0 H LYS A 39 -5.265 -7.827 0.669 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.407 -10.386 1.459 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.529 -11.337 0.304 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.237 -10.084 -0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.437 -8.512 0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.699 -9.855 0.953 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.643 -11.102 -1.276 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.144 -9.608 -2.044 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.144 -8.469 -1.010 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.624 -10.024 -0.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.440 -10.216 -2.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.073 -10.537 -3.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.438 -8.962 -3.054 1.00 0.00 H new ATOM 649 N ILE A 40 -4.609 -8.874 3.473 1.00 0.00 N ATOM 650 CA ILE A 40 -4.015 -8.899 4.800 1.00 0.00 C ATOM 651 C ILE A 40 -5.109 -8.680 5.847 1.00 0.00 C ATOM 652 O ILE A 40 -6.068 -7.944 5.606 1.00 0.00 O ATOM 653 CB ILE A 40 -2.885 -7.834 4.935 1.00 0.00 C ATOM 654 CG1 ILE A 40 -1.524 -8.439 4.568 1.00 0.00 C ATOM 655 CG2 ILE A 40 -2.826 -7.238 6.335 1.00 0.00 C ATOM 656 CD1 ILE A 40 -1.408 -8.897 3.131 1.00 0.00 C ATOM 0 H ILE A 40 -4.918 -7.948 3.176 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.555 -9.873 4.964 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.121 -7.029 4.239 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.747 -7.700 4.764 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.329 -9.288 5.223 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.024 -6.501 6.383 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.776 -6.756 6.566 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.635 -8.030 7.060 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.414 -9.311 2.960 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.159 -9.662 2.931 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.568 -8.049 2.465 1.00 0.00 H new ATOM 668 N SER A 41 -4.984 -9.350 6.985 1.00 0.00 N ATOM 669 CA SER A 41 -5.967 -9.251 8.056 1.00 0.00 C ATOM 670 C SER A 41 -6.097 -7.811 8.539 1.00 0.00 C ATOM 671 O SER A 41 -5.095 -7.138 8.790 1.00 0.00 O ATOM 672 CB SER A 41 -5.561 -10.160 9.219 1.00 0.00 C ATOM 673 OG SER A 41 -6.489 -10.082 10.287 1.00 0.00 O ATOM 0 H SER A 41 -4.204 -9.974 7.191 1.00 0.00 H new ATOM 0 HA SER A 41 -6.934 -9.571 7.669 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.492 -11.190 8.870 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.570 -9.877 9.575 1.00 0.00 H new ATOM 0 HG SER A 41 -6.203 -10.675 11.013 1.00 0.00 H new ATOM 679 N PHE A 42 -7.332 -7.352 8.689 1.00 0.00 N ATOM 680 CA PHE A 42 -7.593 -5.994 9.145 1.00 0.00 C ATOM 681 C PHE A 42 -7.257 -5.853 10.626 1.00 0.00 C ATOM 682 O PHE A 42 -7.228 -4.751 11.164 1.00 0.00 O ATOM 683 CB PHE A 42 -9.049 -5.604 8.886 1.00 0.00 C ATOM 684 CG PHE A 42 -9.379 -5.470 7.425 1.00 0.00 C ATOM 685 CD1 PHE A 42 -9.780 -6.571 6.685 1.00 0.00 C ATOM 686 CD2 PHE A 42 -9.281 -4.242 6.791 1.00 0.00 C ATOM 687 CE1 PHE A 42 -10.077 -6.448 5.342 1.00 0.00 C ATOM 688 CE2 PHE A 42 -9.577 -4.113 5.447 1.00 0.00 C ATOM 689 CZ PHE A 42 -9.976 -5.219 4.722 1.00 0.00 C ATOM 0 H PHE A 42 -8.170 -7.902 8.501 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.953 -5.316 8.579 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.703 -6.353 9.332 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.259 -4.659 9.387 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -9.861 -7.536 7.164 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.969 -3.375 7.354 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -10.388 -7.314 4.777 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.497 -3.150 4.965 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.209 -5.122 3.672 1.00 0.00 H new ATOM 699 N SER A 43 -6.997 -6.979 11.274 1.00 0.00 N ATOM 700 CA SER A 43 -6.583 -6.974 12.663 1.00 0.00 C ATOM 701 C SER A 43 -5.054 -6.990 12.747 1.00 0.00 C ATOM 702 O SER A 43 -4.469 -6.713 13.796 1.00 0.00 O ATOM 703 CB SER A 43 -7.180 -8.187 13.388 1.00 0.00 C ATOM 704 OG SER A 43 -7.022 -8.085 14.794 1.00 0.00 O ATOM 0 H SER A 43 -7.066 -7.907 10.857 1.00 0.00 H new ATOM 0 HA SER A 43 -6.947 -6.068 13.148 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.239 -8.271 13.146 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.698 -9.098 13.032 1.00 0.00 H new ATOM 0 HG SER A 43 -7.414 -8.873 15.225 1.00 0.00 H new ATOM 710 N ASP A 44 -4.415 -7.289 11.621 1.00 0.00 N ATOM 711 CA ASP A 44 -2.960 -7.413 11.564 1.00 0.00 C ATOM 712 C ASP A 44 -2.316 -6.147 11.006 1.00 0.00 C ATOM 713 O ASP A 44 -1.236 -5.744 11.445 1.00 0.00 O ATOM 714 CB ASP A 44 -2.566 -8.625 10.712 1.00 0.00 C ATOM 715 CG ASP A 44 -1.069 -8.721 10.478 1.00 0.00 C ATOM 716 OD1 ASP A 44 -0.321 -8.931 11.455 1.00 0.00 O ATOM 717 OD2 ASP A 44 -0.637 -8.603 9.312 1.00 0.00 O ATOM 0 H ASP A 44 -4.884 -7.451 10.730 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.595 -7.556 12.581 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.911 -9.535 11.202 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.076 -8.568 9.750 1.00 0.00 H new ATOM 722 N LEU A 45 -2.985 -5.518 10.045 1.00 0.00 N ATOM 723 CA LEU A 45 -2.471 -4.304 9.421 1.00 0.00 C ATOM 724 C LEU A 45 -2.355 -3.163 10.442 1.00 0.00 C ATOM 725 O LEU A 45 -2.971 -3.219 11.509 1.00 0.00 O ATOM 726 CB LEU A 45 -3.347 -3.909 8.214 1.00 0.00 C ATOM 727 CG LEU A 45 -4.866 -3.924 8.434 1.00 0.00 C ATOM 728 CD1 LEU A 45 -5.320 -2.733 9.261 1.00 0.00 C ATOM 729 CD2 LEU A 45 -5.591 -3.946 7.098 1.00 0.00 C ATOM 0 H LEU A 45 -3.886 -5.829 9.681 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.465 -4.503 9.051 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.058 -2.907 7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.115 -4.583 7.390 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.114 -4.829 8.989 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.401 -2.775 9.397 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.830 -2.758 10.234 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.055 -1.810 8.745 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.668 -3.957 7.268 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.323 -3.059 6.524 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.303 -4.838 6.542 1.00 0.00 H new ATOM 741 N PRO A 46 -1.539 -2.132 10.132 1.00 0.00 N ATOM 742 CA PRO A 46 -1.287 -0.995 11.030 1.00 0.00 C ATOM 743 C PRO A 46 -2.549 -0.443 11.690 1.00 0.00 C ATOM 744 O PRO A 46 -3.608 -0.350 11.064 1.00 0.00 O ATOM 745 CB PRO A 46 -0.675 0.047 10.099 1.00 0.00 C ATOM 746 CG PRO A 46 0.047 -0.755 9.078 1.00 0.00 C ATOM 747 CD PRO A 46 -0.778 -1.996 8.871 1.00 0.00 C ATOM 0 HA PRO A 46 -0.653 -1.283 11.868 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.442 0.674 9.644 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.002 0.711 10.635 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.155 -0.198 8.148 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.052 -1.006 9.417 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.442 -1.896 8.013 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.150 -2.868 8.688 1.00 0.00 H new ATOM 755 N LEU A 47 -2.406 -0.062 12.955 1.00 0.00 N ATOM 756 CA LEU A 47 -3.516 0.427 13.769 1.00 0.00 C ATOM 757 C LEU A 47 -4.238 1.581 13.075 1.00 0.00 C ATOM 758 O LEU A 47 -5.468 1.657 13.094 1.00 0.00 O ATOM 759 CB LEU A 47 -2.993 0.902 15.128 1.00 0.00 C ATOM 760 CG LEU A 47 -3.937 0.717 16.331 1.00 0.00 C ATOM 761 CD1 LEU A 47 -5.306 1.337 16.085 1.00 0.00 C ATOM 762 CD2 LEU A 47 -4.071 -0.757 16.686 1.00 0.00 C ATOM 0 H LEU A 47 -1.513 -0.083 13.448 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.221 -0.392 13.908 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.063 0.373 15.339 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.746 1.961 15.048 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.491 1.242 17.176 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.938 1.182 16.960 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.194 2.406 15.903 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.767 0.867 15.216 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.742 -0.866 17.538 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.476 -1.301 15.833 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.091 -1.160 16.942 1.00 0.00 H new ATOM 774 N GLU A 48 -3.473 2.474 12.457 1.00 0.00 N ATOM 775 CA GLU A 48 -4.052 3.647 11.816 1.00 0.00 C ATOM 776 C GLU A 48 -5.038 3.226 10.730 1.00 0.00 C ATOM 777 O GLU A 48 -6.042 3.897 10.494 1.00 0.00 O ATOM 778 CB GLU A 48 -2.978 4.548 11.194 1.00 0.00 C ATOM 779 CG GLU A 48 -1.709 4.688 12.017 1.00 0.00 C ATOM 780 CD GLU A 48 -0.695 3.613 11.690 1.00 0.00 C ATOM 781 OE1 GLU A 48 0.054 3.784 10.702 1.00 0.00 O ATOM 782 OE2 GLU A 48 -0.651 2.592 12.407 1.00 0.00 O ATOM 0 H GLU A 48 -2.458 2.409 12.387 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.569 4.212 12.591 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.716 4.153 10.213 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.403 5.539 11.035 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.268 5.668 11.837 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.958 4.640 13.077 1.00 0.00 H new ATOM 789 N LEU A 49 -4.753 2.097 10.091 1.00 0.00 N ATOM 790 CA LEU A 49 -5.585 1.605 9.003 1.00 0.00 C ATOM 791 C LEU A 49 -6.837 0.944 9.555 1.00 0.00 C ATOM 792 O LEU A 49 -7.828 0.792 8.852 1.00 0.00 O ATOM 793 CB LEU A 49 -4.814 0.607 8.137 1.00 0.00 C ATOM 794 CG LEU A 49 -3.433 1.069 7.672 1.00 0.00 C ATOM 795 CD1 LEU A 49 -2.843 0.068 6.694 1.00 0.00 C ATOM 796 CD2 LEU A 49 -3.507 2.453 7.044 1.00 0.00 C ATOM 0 H LEU A 49 -3.951 1.506 10.309 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.871 2.456 8.384 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.698 -0.320 8.698 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.415 0.375 7.258 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.781 1.129 8.543 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.860 0.410 6.372 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.748 -0.903 7.180 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.498 -0.023 5.827 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.512 2.760 6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.176 2.427 6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.886 3.165 7.777 1.00 0.00 H new ATOM 808 N GLN A 50 -6.779 0.549 10.821 1.00 0.00 N ATOM 809 CA GLN A 50 -7.925 -0.050 11.489 1.00 0.00 C ATOM 810 C GLN A 50 -8.927 1.029 11.862 1.00 0.00 C ATOM 811 O GLN A 50 -10.130 0.782 11.931 1.00 0.00 O ATOM 812 CB GLN A 50 -7.481 -0.801 12.743 1.00 0.00 C ATOM 813 CG GLN A 50 -6.486 -1.906 12.455 1.00 0.00 C ATOM 814 CD GLN A 50 -5.990 -2.599 13.706 1.00 0.00 C ATOM 815 OE1 GLN A 50 -6.701 -2.703 14.707 1.00 0.00 O ATOM 816 NE2 GLN A 50 -4.761 -3.080 13.655 1.00 0.00 N ATOM 0 H GLN A 50 -5.948 0.634 11.406 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.395 -0.758 10.807 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.037 -0.094 13.444 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.357 -1.228 13.232 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.950 -2.642 11.798 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -5.635 -1.489 11.916 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.206 -2.972 12.806 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.367 -3.559 14.465 1.00 0.00 H new ATOM 825 N LYS A 51 -8.417 2.232 12.112 1.00 0.00 N ATOM 826 CA LYS A 51 -9.266 3.372 12.419 1.00 0.00 C ATOM 827 C LYS A 51 -9.921 3.906 11.148 1.00 0.00 C ATOM 828 O LYS A 51 -11.059 4.377 11.174 1.00 0.00 O ATOM 829 CB LYS A 51 -8.453 4.469 13.106 1.00 0.00 C ATOM 830 CG LYS A 51 -7.913 4.056 14.466 1.00 0.00 C ATOM 831 CD LYS A 51 -7.092 5.161 15.099 1.00 0.00 C ATOM 832 CE LYS A 51 -6.655 4.792 16.506 1.00 0.00 C ATOM 833 NZ LYS A 51 -5.892 5.891 17.149 1.00 0.00 N ATOM 0 H LYS A 51 -7.418 2.439 12.107 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.053 3.047 13.100 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.620 4.751 12.462 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.078 5.354 13.225 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.742 3.796 15.124 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.299 3.162 14.358 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.214 5.361 14.485 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.677 6.080 15.128 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.532 4.556 17.109 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.040 3.893 16.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.610 5.603 18.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.042 6.099 16.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.488 6.742 17.204 1.00 0.00 H new ATOM 847 N LEU A 52 -9.196 3.827 10.042 1.00 0.00 N ATOM 848 CA LEU A 52 -9.744 4.191 8.740 1.00 0.00 C ATOM 849 C LEU A 52 -10.629 3.062 8.234 1.00 0.00 C ATOM 850 O LEU A 52 -10.284 1.893 8.375 1.00 0.00 O ATOM 851 CB LEU A 52 -8.615 4.457 7.746 1.00 0.00 C ATOM 852 CG LEU A 52 -7.602 5.515 8.187 1.00 0.00 C ATOM 853 CD1 LEU A 52 -6.387 5.502 7.276 1.00 0.00 C ATOM 854 CD2 LEU A 52 -8.242 6.894 8.197 1.00 0.00 C ATOM 0 H LEU A 52 -8.226 3.514 10.018 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.337 5.100 8.841 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.085 3.522 7.562 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.052 4.767 6.797 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.277 5.277 9.200 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.677 6.261 7.605 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.913 4.521 7.315 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.697 5.714 6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.507 7.634 8.513 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.595 7.138 7.195 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.083 6.900 8.890 1.00 0.00 H new ATOM 866 N ASP A 53 -11.760 3.397 7.645 1.00 0.00 N ATOM 867 CA ASP A 53 -12.714 2.370 7.247 1.00 0.00 C ATOM 868 C ASP A 53 -12.594 2.050 5.765 1.00 0.00 C ATOM 869 O ASP A 53 -12.844 0.922 5.339 1.00 0.00 O ATOM 870 CB ASP A 53 -14.142 2.803 7.574 1.00 0.00 C ATOM 871 CG ASP A 53 -15.127 1.660 7.445 1.00 0.00 C ATOM 872 OD1 ASP A 53 -15.199 0.832 8.377 1.00 0.00 O ATOM 873 OD2 ASP A 53 -15.832 1.578 6.417 1.00 0.00 O ATOM 0 H ASP A 53 -12.042 4.354 7.432 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.481 1.468 7.812 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.177 3.198 8.589 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.437 3.612 6.906 1.00 0.00 H new ATOM 878 N SER A 54 -12.192 3.034 4.980 1.00 0.00 N ATOM 879 CA SER A 54 -12.124 2.863 3.540 1.00 0.00 C ATOM 880 C SER A 54 -10.714 2.488 3.090 1.00 0.00 C ATOM 881 O SER A 54 -9.739 3.143 3.464 1.00 0.00 O ATOM 882 CB SER A 54 -12.582 4.143 2.842 1.00 0.00 C ATOM 883 OG SER A 54 -13.901 4.488 3.234 1.00 0.00 O ATOM 0 H SER A 54 -11.909 3.955 5.314 1.00 0.00 H new ATOM 0 HA SER A 54 -12.789 2.045 3.263 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.901 4.958 3.085 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.543 4.007 1.761 1.00 0.00 H new ATOM 0 HG SER A 54 -14.173 5.311 2.777 1.00 0.00 H new ATOM 889 N LEU A 55 -10.624 1.433 2.278 1.00 0.00 N ATOM 890 CA LEU A 55 -9.350 0.969 1.717 1.00 0.00 C ATOM 891 C LEU A 55 -8.533 2.106 1.084 1.00 0.00 C ATOM 892 O LEU A 55 -7.341 2.225 1.362 1.00 0.00 O ATOM 893 CB LEU A 55 -9.584 -0.140 0.681 1.00 0.00 C ATOM 894 CG LEU A 55 -9.410 -1.575 1.186 1.00 0.00 C ATOM 895 CD1 LEU A 55 -10.371 -1.885 2.321 1.00 0.00 C ATOM 896 CD2 LEU A 55 -9.605 -2.563 0.046 1.00 0.00 C ATOM 0 H LEU A 55 -11.429 0.876 1.990 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.771 0.573 2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.595 -0.034 0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.899 0.017 -0.152 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.395 -1.672 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.220 -2.911 2.655 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.187 -1.202 3.151 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -11.397 -1.764 1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.478 -3.579 0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.608 -2.450 -0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.869 -2.369 -0.734 1.00 0.00 H new ATOM 908 N PRO A 56 -9.143 2.960 0.224 1.00 0.00 N ATOM 909 CA PRO A 56 -8.435 4.088 -0.396 1.00 0.00 C ATOM 910 C PRO A 56 -7.768 5.011 0.626 1.00 0.00 C ATOM 911 O PRO A 56 -6.747 5.631 0.336 1.00 0.00 O ATOM 912 CB PRO A 56 -9.530 4.845 -1.166 1.00 0.00 C ATOM 913 CG PRO A 56 -10.821 4.305 -0.651 1.00 0.00 C ATOM 914 CD PRO A 56 -10.537 2.890 -0.248 1.00 0.00 C ATOM 0 HA PRO A 56 -7.621 3.736 -1.029 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.458 5.919 -0.997 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.437 4.685 -2.240 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.179 4.889 0.197 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.596 4.346 -1.417 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.213 2.549 0.536 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -10.647 2.201 -1.085 1.00 0.00 H new ATOM 922 N ALA A 57 -8.328 5.081 1.830 1.00 0.00 N ATOM 923 CA ALA A 57 -7.779 5.944 2.864 1.00 0.00 C ATOM 924 C ALA A 57 -6.605 5.256 3.540 1.00 0.00 C ATOM 925 O ALA A 57 -5.572 5.869 3.811 1.00 0.00 O ATOM 926 CB ALA A 57 -8.851 6.302 3.884 1.00 0.00 C ATOM 0 H ALA A 57 -9.155 4.554 2.110 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.427 6.867 2.404 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.423 6.948 4.650 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.668 6.823 3.385 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -9.231 5.392 4.348 1.00 0.00 H new ATOM 932 N GLN A 58 -6.771 3.964 3.777 1.00 0.00 N ATOM 933 CA GLN A 58 -5.747 3.148 4.409 1.00 0.00 C ATOM 934 C GLN A 58 -4.507 3.066 3.523 1.00 0.00 C ATOM 935 O GLN A 58 -3.381 3.280 3.979 1.00 0.00 O ATOM 936 CB GLN A 58 -6.304 1.749 4.666 1.00 0.00 C ATOM 937 CG GLN A 58 -7.659 1.759 5.357 1.00 0.00 C ATOM 938 CD GLN A 58 -8.356 0.416 5.315 1.00 0.00 C ATOM 939 OE1 GLN A 58 -8.155 -0.376 4.398 1.00 0.00 O ATOM 940 NE2 GLN A 58 -9.205 0.167 6.294 1.00 0.00 N ATOM 0 H GLN A 58 -7.620 3.452 3.536 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.460 3.605 5.356 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.392 1.220 3.717 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.596 1.190 5.278 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -7.528 2.062 6.396 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -8.296 2.507 4.885 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -9.342 0.853 7.037 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.724 -0.711 6.308 1.00 0.00 H new ATOM 949 N ALA A 59 -4.729 2.776 2.247 1.00 0.00 N ATOM 950 CA ALA A 59 -3.638 2.647 1.293 1.00 0.00 C ATOM 951 C ALA A 59 -2.955 3.989 1.041 1.00 0.00 C ATOM 952 O ALA A 59 -1.742 4.043 0.837 1.00 0.00 O ATOM 953 CB ALA A 59 -4.144 2.048 -0.009 1.00 0.00 C ATOM 0 H ALA A 59 -5.656 2.626 1.850 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.894 1.975 1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.317 1.957 -0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.566 1.062 0.184 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.912 2.695 -0.433 1.00 0.00 H new ATOM 959 N GLN A 60 -3.729 5.073 1.063 1.00 0.00 N ATOM 960 CA GLN A 60 -3.168 6.408 0.883 1.00 0.00 C ATOM 961 C GLN A 60 -2.227 6.727 2.044 1.00 0.00 C ATOM 962 O GLN A 60 -1.135 7.253 1.842 1.00 0.00 O ATOM 963 CB GLN A 60 -4.289 7.453 0.781 1.00 0.00 C ATOM 964 CG GLN A 60 -3.900 8.714 0.015 1.00 0.00 C ATOM 965 CD GLN A 60 -2.933 9.604 0.769 1.00 0.00 C ATOM 966 OE1 GLN A 60 -2.969 9.689 1.995 1.00 0.00 O ATOM 967 NE2 GLN A 60 -2.057 10.272 0.036 1.00 0.00 N ATOM 0 H GLN A 60 -4.739 5.052 1.203 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.600 6.437 -0.047 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.152 6.998 0.295 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.601 7.734 1.787 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.452 8.428 -0.937 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.801 9.283 -0.215 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.061 10.173 -0.979 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.378 10.886 0.486 1.00 0.00 H new ATOM 976 N HIS A 61 -2.654 6.379 3.256 1.00 0.00 N ATOM 977 CA HIS A 61 -1.832 6.555 4.451 1.00 0.00 C ATOM 978 C HIS A 61 -0.468 5.897 4.264 1.00 0.00 C ATOM 979 O HIS A 61 0.565 6.476 4.612 1.00 0.00 O ATOM 980 CB HIS A 61 -2.548 5.966 5.675 1.00 0.00 C ATOM 981 CG HIS A 61 -1.728 5.946 6.938 1.00 0.00 C ATOM 982 ND1 HIS A 61 -1.673 7.003 7.817 1.00 0.00 N ATOM 983 CD2 HIS A 61 -0.949 4.974 7.479 1.00 0.00 C ATOM 984 CE1 HIS A 61 -0.901 6.687 8.840 1.00 0.00 C ATOM 985 NE2 HIS A 61 -0.449 5.458 8.664 1.00 0.00 N ATOM 0 H HIS A 61 -3.571 5.971 3.437 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.678 7.622 4.614 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.457 6.540 5.858 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.856 4.947 5.442 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.758 3.999 7.055 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.676 7.326 9.681 1.00 0.00 H new ATOM 0 HE2 HIS A 61 0.168 4.953 9.301 1.00 0.00 H new ATOM 994 N LEU A 62 -0.478 4.684 3.715 1.00 0.00 N ATOM 995 CA LEU A 62 0.752 3.953 3.426 1.00 0.00 C ATOM 996 C LEU A 62 1.665 4.784 2.532 1.00 0.00 C ATOM 997 O LEU A 62 2.814 5.050 2.880 1.00 0.00 O ATOM 998 CB LEU A 62 0.434 2.625 2.728 1.00 0.00 C ATOM 999 CG LEU A 62 -0.490 1.678 3.495 1.00 0.00 C ATOM 1000 CD1 LEU A 62 -0.832 0.460 2.647 1.00 0.00 C ATOM 1001 CD2 LEU A 62 0.154 1.244 4.800 1.00 0.00 C ATOM 0 H LEU A 62 -1.330 4.185 3.460 1.00 0.00 H new ATOM 0 HA LEU A 62 1.257 3.751 4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.021 2.843 1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.372 2.106 2.529 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.412 2.213 3.723 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.490 -0.202 3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.334 0.781 1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.083 -0.072 2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.519 0.571 5.331 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.091 0.729 4.590 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.352 2.120 5.417 1.00 0.00 H new ATOM 1013 N ILE A 63 1.115 5.205 1.397 1.00 0.00 N ATOM 1014 CA ILE A 63 1.848 5.955 0.380 1.00 0.00 C ATOM 1015 C ILE A 63 2.407 7.265 0.928 1.00 0.00 C ATOM 1016 O ILE A 63 3.569 7.601 0.690 1.00 0.00 O ATOM 1017 CB ILE A 63 0.933 6.276 -0.823 1.00 0.00 C ATOM 1018 CG1 ILE A 63 0.422 4.984 -1.462 1.00 0.00 C ATOM 1019 CG2 ILE A 63 1.667 7.132 -1.849 1.00 0.00 C ATOM 1020 CD1 ILE A 63 -0.625 5.210 -2.528 1.00 0.00 C ATOM 0 H ILE A 63 0.139 5.034 1.154 1.00 0.00 H new ATOM 0 HA ILE A 63 2.679 5.324 0.064 1.00 0.00 H new ATOM 0 HB ILE A 63 0.076 6.845 -0.461 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.264 4.447 -1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.005 4.344 -0.684 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.003 7.345 -2.687 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.979 8.068 -1.386 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.545 6.596 -2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.941 4.250 -2.937 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.484 5.719 -2.092 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.206 5.824 -3.325 1.00 0.00 H new ATOM 1032 N ASP A 64 1.574 7.992 1.663 1.00 0.00 N ATOM 1033 CA ASP A 64 1.934 9.323 2.144 1.00 0.00 C ATOM 1034 C ASP A 64 3.095 9.250 3.130 1.00 0.00 C ATOM 1035 O ASP A 64 3.912 10.170 3.215 1.00 0.00 O ATOM 1036 CB ASP A 64 0.722 9.997 2.797 1.00 0.00 C ATOM 1037 CG ASP A 64 0.938 11.478 3.046 1.00 0.00 C ATOM 1038 OD1 ASP A 64 0.795 12.274 2.088 1.00 0.00 O ATOM 1039 OD2 ASP A 64 1.250 11.860 4.193 1.00 0.00 O ATOM 0 H ASP A 64 0.642 7.683 1.940 1.00 0.00 H new ATOM 0 HA ASP A 64 2.251 9.921 1.289 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.151 9.864 2.158 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.502 9.502 3.743 1.00 0.00 H new ATOM 1044 N THR A 65 3.178 8.148 3.865 1.00 0.00 N ATOM 1045 CA THR A 65 4.256 7.966 4.821 1.00 0.00 C ATOM 1046 C THR A 65 5.243 6.889 4.360 1.00 0.00 C ATOM 1047 O THR A 65 6.261 7.211 3.745 1.00 0.00 O ATOM 1048 CB THR A 65 3.706 7.615 6.221 1.00 0.00 C ATOM 1049 OG1 THR A 65 2.754 6.540 6.129 1.00 0.00 O ATOM 1050 CG2 THR A 65 3.048 8.828 6.862 1.00 0.00 C ATOM 0 H THR A 65 2.516 7.374 3.816 1.00 0.00 H new ATOM 0 HA THR A 65 4.791 8.914 4.883 1.00 0.00 H new ATOM 0 HB THR A 65 4.543 7.300 6.844 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.955 6.850 5.654 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.668 8.558 7.847 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.781 9.629 6.963 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.223 9.168 6.236 1.00 0.00 H new ATOM 1058 N SER A 66 4.870 5.626 4.617 1.00 0.00 N ATOM 1059 CA SER A 66 5.698 4.416 4.435 1.00 0.00 C ATOM 1060 C SER A 66 5.339 3.424 5.535 1.00 0.00 C ATOM 1061 O SER A 66 5.190 3.814 6.694 1.00 0.00 O ATOM 1062 CB SER A 66 7.209 4.676 4.511 1.00 0.00 C ATOM 1063 OG SER A 66 7.713 5.225 3.303 1.00 0.00 O ATOM 0 H SER A 66 3.940 5.406 4.974 1.00 0.00 H new ATOM 0 HA SER A 66 5.487 4.038 3.434 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.419 5.358 5.335 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.727 3.742 4.730 1.00 0.00 H new ATOM 0 HG SER A 66 7.216 6.040 3.082 1.00 0.00 H new ATOM 1069 N CYS A 67 5.183 2.160 5.180 1.00 0.00 N ATOM 1070 CA CYS A 67 4.858 1.127 6.154 1.00 0.00 C ATOM 1071 C CYS A 67 5.399 -0.220 5.693 1.00 0.00 C ATOM 1072 O CYS A 67 5.807 -0.367 4.539 1.00 0.00 O ATOM 1073 CB CYS A 67 3.342 1.031 6.359 1.00 0.00 C ATOM 1074 SG CYS A 67 2.586 2.525 7.049 1.00 0.00 S ATOM 0 H CYS A 67 5.276 1.822 4.222 1.00 0.00 H new ATOM 0 HA CYS A 67 5.323 1.396 7.102 1.00 0.00 H new ATOM 0 HB2 CYS A 67 2.871 0.809 5.401 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.129 0.192 7.021 1.00 0.00 H new ATOM 0 HG CYS A 67 3.494 3.445 7.191 1.00 0.00 H new ATOM 1080 N GLU A 68 5.393 -1.198 6.591 1.00 0.00 N ATOM 1081 CA GLU A 68 5.860 -2.537 6.259 1.00 0.00 C ATOM 1082 C GLU A 68 4.671 -3.414 5.892 1.00 0.00 C ATOM 1083 O GLU A 68 3.629 -3.355 6.545 1.00 0.00 O ATOM 1084 CB GLU A 68 6.615 -3.163 7.437 1.00 0.00 C ATOM 1085 CG GLU A 68 7.577 -2.218 8.141 1.00 0.00 C ATOM 1086 CD GLU A 68 8.527 -1.509 7.199 1.00 0.00 C ATOM 1087 OE1 GLU A 68 9.297 -2.191 6.493 1.00 0.00 O ATOM 1088 OE2 GLU A 68 8.509 -0.257 7.175 1.00 0.00 O ATOM 0 H GLU A 68 5.070 -1.089 7.552 1.00 0.00 H new ATOM 0 HA GLU A 68 6.543 -2.464 5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.890 -3.531 8.163 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.173 -4.028 7.077 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.003 -1.474 8.693 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.157 -2.781 8.873 1.00 0.00 H new ATOM 1095 N LEU A 69 4.819 -4.218 4.852 1.00 0.00 N ATOM 1096 CA LEU A 69 3.724 -5.054 4.387 1.00 0.00 C ATOM 1097 C LEU A 69 4.240 -6.324 3.721 1.00 0.00 C ATOM 1098 O LEU A 69 4.879 -6.267 2.671 1.00 0.00 O ATOM 1099 CB LEU A 69 2.848 -4.268 3.404 1.00 0.00 C ATOM 1100 CG LEU A 69 1.641 -5.026 2.845 1.00 0.00 C ATOM 1101 CD1 LEU A 69 0.668 -5.392 3.957 1.00 0.00 C ATOM 1102 CD2 LEU A 69 0.943 -4.198 1.776 1.00 0.00 C ATOM 0 H LEU A 69 5.682 -4.310 4.316 1.00 0.00 H new ATOM 0 HA LEU A 69 3.129 -5.344 5.253 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.490 -3.368 3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.470 -3.944 2.569 1.00 0.00 H new ATOM 0 HG LEU A 69 1.999 -5.950 2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.181 -5.930 3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.172 -6.025 4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.316 -4.484 4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.087 -4.751 1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.602 -3.258 2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.639 -3.991 0.963 1.00 0.00 H new ATOM 1114 N ASP A 70 3.981 -7.465 4.347 1.00 0.00 N ATOM 1115 CA ASP A 70 4.231 -8.751 3.709 1.00 0.00 C ATOM 1116 C ASP A 70 3.137 -8.988 2.682 1.00 0.00 C ATOM 1117 O ASP A 70 1.952 -9.007 3.025 1.00 0.00 O ATOM 1118 CB ASP A 70 4.245 -9.888 4.734 1.00 0.00 C ATOM 1119 CG ASP A 70 4.597 -11.232 4.114 1.00 0.00 C ATOM 1120 OD1 ASP A 70 3.764 -11.789 3.363 1.00 0.00 O ATOM 1121 OD2 ASP A 70 5.706 -11.744 4.388 1.00 0.00 O ATOM 0 H ASP A 70 3.600 -7.526 5.291 1.00 0.00 H new ATOM 0 HA ASP A 70 5.210 -8.733 3.230 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.964 -9.655 5.519 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.266 -9.956 5.208 1.00 0.00 H new ATOM 1126 N VAL A 71 3.526 -9.148 1.432 1.00 0.00 N ATOM 1127 CA VAL A 71 2.566 -9.167 0.341 1.00 0.00 C ATOM 1128 C VAL A 71 2.288 -10.578 -0.166 1.00 0.00 C ATOM 1129 O VAL A 71 1.797 -10.758 -1.281 1.00 0.00 O ATOM 1130 CB VAL A 71 3.037 -8.274 -0.817 1.00 0.00 C ATOM 1131 CG1 VAL A 71 3.078 -6.825 -0.368 1.00 0.00 C ATOM 1132 CG2 VAL A 71 4.399 -8.712 -1.320 1.00 0.00 C ATOM 0 H VAL A 71 4.498 -9.267 1.145 1.00 0.00 H new ATOM 0 HA VAL A 71 1.632 -8.773 0.741 1.00 0.00 H new ATOM 0 HB VAL A 71 2.328 -8.371 -1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.413 -6.197 -1.194 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.082 -6.513 -0.056 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.769 -6.723 0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.710 -8.064 -2.140 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.125 -8.646 -0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.343 -9.742 -1.673 1.00 0.00 H new ATOM 1142 N GLY A 72 2.586 -11.569 0.659 1.00 0.00 N ATOM 1143 CA GLY A 72 2.193 -12.928 0.350 1.00 0.00 C ATOM 1144 C GLY A 72 3.251 -13.709 -0.400 1.00 0.00 C ATOM 1145 O GLY A 72 4.132 -13.128 -1.035 1.00 0.00 O ATOM 0 H GLY A 72 3.093 -11.457 1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.958 -13.449 1.278 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.279 -12.907 -0.244 1.00 0.00 H new ATOM 1149 N ALA A 73 3.172 -15.038 -0.285 1.00 0.00 N ATOM 1150 CA ALA A 73 4.046 -15.969 -1.012 1.00 0.00 C ATOM 1151 C ALA A 73 5.501 -15.880 -0.549 1.00 0.00 C ATOM 1152 O ALA A 73 6.350 -16.659 -0.986 1.00 0.00 O ATOM 1153 CB ALA A 73 3.949 -15.738 -2.519 1.00 0.00 C ATOM 0 H ALA A 73 2.495 -15.504 0.319 1.00 0.00 H new ATOM 0 HA ALA A 73 3.696 -16.976 -0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.604 -16.438 -3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.921 -15.894 -2.846 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.253 -14.717 -2.751 1.00 0.00 H new ATOM 1159 N GLY A 74 5.785 -14.943 0.344 1.00 0.00 N ATOM 1160 CA GLY A 74 7.142 -14.750 0.807 1.00 0.00 C ATOM 1161 C GLY A 74 7.898 -13.752 -0.047 1.00 0.00 C ATOM 1162 O GLY A 74 9.112 -13.588 0.106 1.00 0.00 O ATOM 0 H GLY A 74 5.098 -14.312 0.756 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.126 -14.404 1.841 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.667 -15.705 0.799 1.00 0.00 H new ATOM 1166 N LYS A 75 7.189 -13.093 -0.960 1.00 0.00 N ATOM 1167 CA LYS A 75 7.803 -12.075 -1.800 1.00 0.00 C ATOM 1168 C LYS A 75 7.745 -10.734 -1.085 1.00 0.00 C ATOM 1169 O LYS A 75 6.904 -10.529 -0.209 1.00 0.00 O ATOM 1170 CB LYS A 75 7.111 -11.985 -3.169 1.00 0.00 C ATOM 1171 CG LYS A 75 5.684 -11.470 -3.107 1.00 0.00 C ATOM 1172 CD LYS A 75 5.108 -11.226 -4.493 1.00 0.00 C ATOM 1173 CE LYS A 75 3.683 -10.698 -4.415 1.00 0.00 C ATOM 1174 NZ LYS A 75 3.148 -10.329 -5.752 1.00 0.00 N ATOM 0 H LYS A 75 6.196 -13.246 -1.134 1.00 0.00 H new ATOM 0 HA LYS A 75 8.842 -12.350 -1.978 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.694 -11.331 -3.817 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.110 -12.973 -3.630 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.061 -12.190 -2.577 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.657 -10.543 -2.534 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.734 -10.512 -5.029 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.123 -12.154 -5.064 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.041 -11.455 -3.965 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.655 -9.826 -3.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.111 -10.269 -5.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.536 -9.408 -6.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.423 -11.052 -6.447 1.00 0.00 H new ATOM 1188 N TYR A 76 8.639 -9.833 -1.447 1.00 0.00 N ATOM 1189 CA TYR A 76 8.730 -8.547 -0.774 1.00 0.00 C ATOM 1190 C TYR A 76 8.169 -7.437 -1.651 1.00 0.00 C ATOM 1191 O TYR A 76 8.115 -7.567 -2.876 1.00 0.00 O ATOM 1192 CB TYR A 76 10.184 -8.232 -0.417 1.00 0.00 C ATOM 1193 CG TYR A 76 10.923 -9.389 0.219 1.00 0.00 C ATOM 1194 CD1 TYR A 76 10.673 -9.767 1.535 1.00 0.00 C ATOM 1195 CD2 TYR A 76 11.869 -10.106 -0.500 1.00 0.00 C ATOM 1196 CE1 TYR A 76 11.354 -10.825 2.110 1.00 0.00 C ATOM 1197 CE2 TYR A 76 12.551 -11.161 0.068 1.00 0.00 C ATOM 1198 CZ TYR A 76 12.288 -11.517 1.371 1.00 0.00 C ATOM 1199 OH TYR A 76 12.967 -12.570 1.941 1.00 0.00 O ATOM 0 H TYR A 76 9.312 -9.966 -2.202 1.00 0.00 H new ATOM 0 HA TYR A 76 8.140 -8.605 0.141 1.00 0.00 H new ATOM 0 HB2 TYR A 76 10.712 -7.929 -1.321 1.00 0.00 H new ATOM 0 HB3 TYR A 76 10.205 -7.382 0.265 1.00 0.00 H new ATOM 0 HD1 TYR A 76 9.938 -9.228 2.114 1.00 0.00 H new ATOM 0 HD2 TYR A 76 12.075 -9.832 -1.524 1.00 0.00 H new ATOM 0 HE1 TYR A 76 11.154 -11.107 3.133 1.00 0.00 H new ATOM 0 HE2 TYR A 76 13.287 -11.705 -0.506 1.00 0.00 H new ATOM 0 HH TYR A 76 13.589 -12.951 1.286 1.00 0.00 H new ATOM 1209 N LEU A 77 7.744 -6.355 -1.012 1.00 0.00 N ATOM 1210 CA LEU A 77 7.253 -5.185 -1.720 1.00 0.00 C ATOM 1211 C LEU A 77 7.584 -3.921 -0.940 1.00 0.00 C ATOM 1212 O LEU A 77 7.262 -3.810 0.241 1.00 0.00 O ATOM 1213 CB LEU A 77 5.739 -5.262 -1.933 1.00 0.00 C ATOM 1214 CG LEU A 77 5.124 -4.021 -2.584 1.00 0.00 C ATOM 1215 CD1 LEU A 77 5.547 -3.919 -4.038 1.00 0.00 C ATOM 1216 CD2 LEU A 77 3.608 -4.035 -2.459 1.00 0.00 C ATOM 0 H LEU A 77 7.731 -6.266 0.004 1.00 0.00 H new ATOM 0 HA LEU A 77 7.743 -5.157 -2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.516 -6.130 -2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.258 -5.427 -0.969 1.00 0.00 H new ATOM 0 HG LEU A 77 5.493 -3.141 -2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.101 -3.031 -4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.633 -3.848 -4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.211 -4.805 -4.578 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.196 -3.142 -2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.210 -4.922 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.330 -4.051 -1.405 1.00 0.00 H new ATOM 1228 N GLN A 78 8.242 -2.985 -1.599 1.00 0.00 N ATOM 1229 CA GLN A 78 8.473 -1.672 -1.027 1.00 0.00 C ATOM 1230 C GLN A 78 8.423 -0.628 -2.128 1.00 0.00 C ATOM 1231 O GLN A 78 8.691 -0.932 -3.294 1.00 0.00 O ATOM 1232 CB GLN A 78 9.809 -1.599 -0.264 1.00 0.00 C ATOM 1233 CG GLN A 78 11.060 -1.697 -1.130 1.00 0.00 C ATOM 1234 CD GLN A 78 11.324 -3.094 -1.650 1.00 0.00 C ATOM 1235 OE1 GLN A 78 10.957 -4.087 -1.023 1.00 0.00 O ATOM 1236 NE2 GLN A 78 11.991 -3.179 -2.787 1.00 0.00 N ATOM 0 H GLN A 78 8.627 -3.111 -2.535 1.00 0.00 H new ATOM 0 HA GLN A 78 7.686 -1.474 -0.299 1.00 0.00 H new ATOM 0 HB2 GLN A 78 9.842 -0.660 0.288 1.00 0.00 H new ATOM 0 HB3 GLN A 78 9.833 -2.403 0.472 1.00 0.00 H new ATOM 0 HG2 GLN A 78 10.962 -1.015 -1.975 1.00 0.00 H new ATOM 0 HG3 GLN A 78 11.921 -1.364 -0.550 1.00 0.00 H new ATOM 0 HE21 GLN A 78 12.277 -2.330 -3.275 1.00 0.00 H new ATOM 0 HE22 GLN A 78 12.220 -4.093 -3.177 1.00 0.00 H new ATOM 1245 N TRP A 79 8.059 0.586 -1.764 1.00 0.00 N ATOM 1246 CA TRP A 79 7.913 1.656 -2.729 1.00 0.00 C ATOM 1247 C TRP A 79 8.697 2.877 -2.270 1.00 0.00 C ATOM 1248 O TRP A 79 8.750 3.180 -1.077 1.00 0.00 O ATOM 1249 CB TRP A 79 6.427 2.010 -2.915 1.00 0.00 C ATOM 1250 CG TRP A 79 5.782 2.607 -1.694 1.00 0.00 C ATOM 1251 CD1 TRP A 79 5.507 3.927 -1.478 1.00 0.00 C ATOM 1252 CD2 TRP A 79 5.338 1.911 -0.519 1.00 0.00 C ATOM 1253 NE1 TRP A 79 4.925 4.096 -0.245 1.00 0.00 N ATOM 1254 CE2 TRP A 79 4.811 2.876 0.362 1.00 0.00 C ATOM 1255 CE3 TRP A 79 5.337 0.569 -0.123 1.00 0.00 C ATOM 1256 CZ2 TRP A 79 4.287 2.542 1.607 1.00 0.00 C ATOM 1257 CZ3 TRP A 79 4.817 0.240 1.116 1.00 0.00 C ATOM 1258 CH2 TRP A 79 4.300 1.225 1.968 1.00 0.00 C ATOM 0 H TRP A 79 7.858 0.856 -0.801 1.00 0.00 H new ATOM 0 HA TRP A 79 8.309 1.324 -3.689 1.00 0.00 H new ATOM 0 HB2 TRP A 79 6.332 2.712 -3.743 1.00 0.00 H new ATOM 0 HB3 TRP A 79 5.882 1.109 -3.197 1.00 0.00 H new ATOM 0 HD1 TRP A 79 5.717 4.724 -2.176 1.00 0.00 H new ATOM 0 HE1 TRP A 79 4.627 4.987 0.153 1.00 0.00 H new ATOM 0 HE3 TRP A 79 5.735 -0.196 -0.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 3.884 3.298 2.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.809 -0.793 1.432 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.904 0.937 2.930 1.00 0.00 H new ATOM 1269 N TYR A 80 9.334 3.555 -3.206 1.00 0.00 N ATOM 1270 CA TYR A 80 10.007 4.801 -2.893 1.00 0.00 C ATOM 1271 C TYR A 80 9.800 5.802 -4.020 1.00 0.00 C ATOM 1272 O TYR A 80 9.719 5.425 -5.193 1.00 0.00 O ATOM 1273 CB TYR A 80 11.500 4.580 -2.602 1.00 0.00 C ATOM 1274 CG TYR A 80 12.308 3.993 -3.742 1.00 0.00 C ATOM 1275 CD1 TYR A 80 12.395 2.617 -3.923 1.00 0.00 C ATOM 1276 CD2 TYR A 80 12.997 4.816 -4.624 1.00 0.00 C ATOM 1277 CE1 TYR A 80 13.151 2.079 -4.948 1.00 0.00 C ATOM 1278 CE2 TYR A 80 13.749 4.286 -5.654 1.00 0.00 C ATOM 1279 CZ TYR A 80 13.823 2.918 -5.812 1.00 0.00 C ATOM 1280 OH TYR A 80 14.579 2.390 -6.836 1.00 0.00 O ATOM 0 H TYR A 80 9.400 3.267 -4.182 1.00 0.00 H new ATOM 0 HA TYR A 80 9.567 5.210 -1.984 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.943 5.536 -2.321 1.00 0.00 H new ATOM 0 HB3 TYR A 80 11.590 3.921 -1.739 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.864 1.958 -3.252 1.00 0.00 H new ATOM 0 HD2 TYR A 80 12.944 5.888 -4.502 1.00 0.00 H new ATOM 0 HE1 TYR A 80 13.215 1.008 -5.071 1.00 0.00 H new ATOM 0 HE2 TYR A 80 14.277 4.940 -6.333 1.00 0.00 H new ATOM 0 HH TYR A 80 14.985 3.118 -7.352 1.00 0.00 H new ATOM 1290 N ALA A 81 9.684 7.068 -3.655 1.00 0.00 N ATOM 1291 CA ALA A 81 9.392 8.118 -4.617 1.00 0.00 C ATOM 1292 C ALA A 81 10.666 8.645 -5.256 1.00 0.00 C ATOM 1293 O ALA A 81 11.555 9.145 -4.567 1.00 0.00 O ATOM 1294 CB ALA A 81 8.637 9.249 -3.936 1.00 0.00 C ATOM 0 H ALA A 81 9.788 7.395 -2.694 1.00 0.00 H new ATOM 0 HA ALA A 81 8.770 7.696 -5.406 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.422 10.032 -4.663 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.702 8.867 -3.526 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.246 9.659 -3.130 1.00 0.00 H new ATOM 1300 N VAL A 82 10.758 8.529 -6.569 1.00 0.00 N ATOM 1301 CA VAL A 82 11.896 9.074 -7.286 1.00 0.00 C ATOM 1302 C VAL A 82 11.635 10.526 -7.664 1.00 0.00 C ATOM 1303 O VAL A 82 10.887 10.829 -8.599 1.00 0.00 O ATOM 1304 CB VAL A 82 12.254 8.242 -8.539 1.00 0.00 C ATOM 1305 CG1 VAL A 82 13.020 6.991 -8.135 1.00 0.00 C ATOM 1306 CG2 VAL A 82 11.004 7.865 -9.324 1.00 0.00 C ATOM 0 H VAL A 82 10.064 8.066 -7.156 1.00 0.00 H new ATOM 0 HA VAL A 82 12.755 9.027 -6.616 1.00 0.00 H new ATOM 0 HB VAL A 82 12.885 8.853 -9.184 1.00 0.00 H new ATOM 0 HG11 VAL A 82 13.267 6.412 -9.025 1.00 0.00 H new ATOM 0 HG12 VAL A 82 13.938 7.276 -7.621 1.00 0.00 H new ATOM 0 HG13 VAL A 82 12.404 6.387 -7.469 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.287 7.280 -10.200 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.342 7.274 -8.692 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.488 8.770 -9.643 1.00 0.00 H new ATOM 1316 N ARG A 83 12.248 11.421 -6.908 1.00 0.00 N ATOM 1317 CA ARG A 83 12.080 12.848 -7.113 1.00 0.00 C ATOM 1318 C ARG A 83 13.440 13.524 -7.059 1.00 0.00 C ATOM 1319 O ARG A 83 14.226 13.269 -6.147 1.00 0.00 O ATOM 1320 CB ARG A 83 11.152 13.437 -6.043 1.00 0.00 C ATOM 1321 CG ARG A 83 9.835 12.688 -5.902 1.00 0.00 C ATOM 1322 CD ARG A 83 8.967 13.271 -4.801 1.00 0.00 C ATOM 1323 NE ARG A 83 8.430 14.581 -5.164 1.00 0.00 N ATOM 1324 CZ ARG A 83 8.553 15.674 -4.410 1.00 0.00 C ATOM 1325 NH1 ARG A 83 9.157 15.603 -3.228 1.00 0.00 N ATOM 1326 NH2 ARG A 83 8.058 16.833 -4.832 1.00 0.00 N ATOM 0 H ARG A 83 12.873 11.180 -6.139 1.00 0.00 H new ATOM 0 HA ARG A 83 11.627 13.020 -8.089 1.00 0.00 H new ATOM 0 HB2 ARG A 83 11.668 13.432 -5.083 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.944 14.479 -6.287 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.294 12.723 -6.848 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.036 11.638 -5.689 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.144 12.588 -4.588 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.553 13.360 -3.886 1.00 0.00 H new ATOM 0 HE ARG A 83 7.930 14.664 -6.049 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.527 14.712 -2.897 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.251 16.440 -2.652 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.584 16.887 -5.733 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.153 17.668 -4.255 1.00 0.00 H new ATOM 1340 N LEU A 84 13.721 14.374 -8.028 1.00 0.00 N ATOM 1341 CA LEU A 84 15.018 15.020 -8.111 1.00 0.00 C ATOM 1342 C LEU A 84 14.841 16.526 -8.287 1.00 0.00 C ATOM 1343 O LEU A 84 14.618 17.006 -9.400 1.00 0.00 O ATOM 1344 CB LEU A 84 15.820 14.419 -9.275 1.00 0.00 C ATOM 1345 CG LEU A 84 17.332 14.293 -9.057 1.00 0.00 C ATOM 1346 CD1 LEU A 84 17.948 13.433 -10.149 1.00 0.00 C ATOM 1347 CD2 LEU A 84 17.995 15.660 -9.029 1.00 0.00 C ATOM 0 H LEU A 84 13.069 14.634 -8.769 1.00 0.00 H new ATOM 0 HA LEU A 84 15.570 14.850 -7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 84 15.421 13.428 -9.491 1.00 0.00 H new ATOM 0 HB3 LEU A 84 15.651 15.031 -10.161 1.00 0.00 H new ATOM 0 HG LEU A 84 17.498 13.816 -8.091 1.00 0.00 H new ATOM 0 HD11 LEU A 84 19.022 13.350 -9.984 1.00 0.00 H new ATOM 0 HD12 LEU A 84 17.500 12.440 -10.126 1.00 0.00 H new ATOM 0 HD13 LEU A 84 17.764 13.892 -11.121 1.00 0.00 H new ATOM 0 HD21 LEU A 84 19.067 15.541 -8.873 1.00 0.00 H new ATOM 0 HD22 LEU A 84 17.820 16.169 -9.977 1.00 0.00 H new ATOM 0 HD23 LEU A 84 17.574 16.252 -8.217 1.00 0.00 H new ATOM 1359 N GLU A 85 14.919 17.268 -7.182 1.00 0.00 N ATOM 1360 CA GLU A 85 14.725 18.716 -7.222 1.00 0.00 C ATOM 1361 C GLU A 85 15.893 19.391 -7.935 1.00 0.00 C ATOM 1362 O GLU A 85 15.750 20.500 -8.448 1.00 0.00 O ATOM 1363 CB GLU A 85 14.576 19.302 -5.812 1.00 0.00 C ATOM 1364 CG GLU A 85 13.584 18.562 -4.929 1.00 0.00 C ATOM 1365 CD GLU A 85 12.313 18.167 -5.655 1.00 0.00 C ATOM 1366 OE1 GLU A 85 11.525 19.063 -6.028 1.00 0.00 O ATOM 1367 OE2 GLU A 85 12.105 16.954 -5.859 1.00 0.00 O ATOM 0 H GLU A 85 15.114 16.892 -6.254 1.00 0.00 H new ATOM 0 HA GLU A 85 13.804 18.907 -7.773 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.551 19.299 -5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 85 14.265 20.343 -5.895 1.00 0.00 H new ATOM 0 HG2 GLU A 85 14.060 17.666 -4.531 1.00 0.00 H new ATOM 0 HG3 GLU A 85 13.327 19.191 -4.077 1.00 0.00 H new ATOM 1374 N LYS A 86 17.036 18.697 -7.935 1.00 0.00 N ATOM 1375 CA LYS A 86 18.271 19.105 -8.628 1.00 0.00 C ATOM 1376 C LYS A 86 18.839 20.428 -8.107 1.00 0.00 C ATOM 1377 O LYS A 86 18.165 21.182 -7.395 1.00 0.00 O ATOM 1378 CB LYS A 86 18.089 19.149 -10.164 1.00 0.00 C ATOM 1379 CG LYS A 86 17.448 20.417 -10.710 1.00 0.00 C ATOM 1380 CD LYS A 86 17.293 20.352 -12.218 1.00 0.00 C ATOM 1381 CE LYS A 86 16.622 21.599 -12.770 1.00 0.00 C ATOM 1382 NZ LYS A 86 16.495 21.546 -14.250 1.00 0.00 N ATOM 0 H LYS A 86 17.134 17.811 -7.440 1.00 0.00 H new ATOM 0 HA LYS A 86 19.005 18.332 -8.399 1.00 0.00 H new ATOM 0 HB2 LYS A 86 19.066 19.025 -10.632 1.00 0.00 H new ATOM 0 HB3 LYS A 86 17.481 18.296 -10.465 1.00 0.00 H new ATOM 0 HG2 LYS A 86 16.471 20.561 -10.248 1.00 0.00 H new ATOM 0 HG3 LYS A 86 18.058 21.280 -10.442 1.00 0.00 H new ATOM 0 HD2 LYS A 86 18.273 20.232 -12.679 1.00 0.00 H new ATOM 0 HD3 LYS A 86 16.705 19.474 -12.486 1.00 0.00 H new ATOM 0 HE2 LYS A 86 15.634 21.708 -12.324 1.00 0.00 H new ATOM 0 HE3 LYS A 86 17.199 22.479 -12.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 16.033 22.413 -14.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 17.440 21.467 -14.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.923 20.720 -14.520 1.00 0.00 H new ATOM 1396 N LEU A 87 20.111 20.662 -8.447 1.00 0.00 N ATOM 1397 CA LEU A 87 20.845 21.878 -8.086 1.00 0.00 C ATOM 1398 C LEU A 87 21.208 21.899 -6.605 1.00 0.00 C ATOM 1399 O LEU A 87 22.383 21.964 -6.243 1.00 0.00 O ATOM 1400 CB LEU A 87 20.053 23.140 -8.451 1.00 0.00 C ATOM 1401 CG LEU A 87 20.713 24.455 -8.034 1.00 0.00 C ATOM 1402 CD1 LEU A 87 22.008 24.677 -8.798 1.00 0.00 C ATOM 1403 CD2 LEU A 87 19.763 25.620 -8.242 1.00 0.00 C ATOM 0 H LEU A 87 20.667 20.001 -8.989 1.00 0.00 H new ATOM 0 HA LEU A 87 21.769 21.870 -8.664 1.00 0.00 H new ATOM 0 HB2 LEU A 87 19.897 23.154 -9.530 1.00 0.00 H new ATOM 0 HB3 LEU A 87 19.068 23.081 -7.987 1.00 0.00 H new ATOM 0 HG LEU A 87 20.952 24.392 -6.972 1.00 0.00 H new ATOM 0 HD11 LEU A 87 22.459 25.618 -8.484 1.00 0.00 H new ATOM 0 HD12 LEU A 87 22.697 23.858 -8.592 1.00 0.00 H new ATOM 0 HD13 LEU A 87 21.798 24.714 -9.867 1.00 0.00 H new ATOM 0 HD21 LEU A 87 20.251 26.546 -7.939 1.00 0.00 H new ATOM 0 HD22 LEU A 87 19.488 25.682 -9.295 1.00 0.00 H new ATOM 0 HD23 LEU A 87 18.866 25.470 -7.641 1.00 0.00 H new ATOM 1415 N GLU A 88 20.200 21.838 -5.761 1.00 0.00 N ATOM 1416 CA GLU A 88 20.387 21.954 -4.328 1.00 0.00 C ATOM 1417 C GLU A 88 20.959 20.670 -3.743 1.00 0.00 C ATOM 1418 O GLU A 88 20.699 19.574 -4.242 1.00 0.00 O ATOM 1419 CB GLU A 88 19.054 22.301 -3.671 1.00 0.00 C ATOM 1420 CG GLU A 88 18.416 23.545 -4.266 1.00 0.00 C ATOM 1421 CD GLU A 88 17.091 23.893 -3.631 1.00 0.00 C ATOM 1422 OE1 GLU A 88 17.094 24.540 -2.560 1.00 0.00 O ATOM 1423 OE2 GLU A 88 16.041 23.543 -4.213 1.00 0.00 O ATOM 0 H GLU A 88 19.230 21.707 -6.047 1.00 0.00 H new ATOM 0 HA GLU A 88 21.104 22.750 -4.129 1.00 0.00 H new ATOM 0 HB2 GLU A 88 18.370 21.459 -3.779 1.00 0.00 H new ATOM 0 HB3 GLU A 88 19.208 22.452 -2.603 1.00 0.00 H new ATOM 0 HG2 GLU A 88 19.099 24.387 -4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 88 18.271 23.395 -5.336 1.00 0.00 H new ATOM 1430 N HIS A 89 21.753 20.812 -2.690 1.00 0.00 N ATOM 1431 CA HIS A 89 22.397 19.666 -2.054 1.00 0.00 C ATOM 1432 C HIS A 89 22.224 19.706 -0.543 1.00 0.00 C ATOM 1433 O HIS A 89 22.378 18.688 0.131 1.00 0.00 O ATOM 1434 CB HIS A 89 23.891 19.626 -2.389 1.00 0.00 C ATOM 1435 CG HIS A 89 24.191 19.317 -3.822 1.00 0.00 C ATOM 1436 ND1 HIS A 89 24.821 20.205 -4.665 1.00 0.00 N ATOM 1437 CD2 HIS A 89 23.966 18.202 -4.557 1.00 0.00 C ATOM 1438 CE1 HIS A 89 24.968 19.654 -5.854 1.00 0.00 C ATOM 1439 NE2 HIS A 89 24.459 18.437 -5.817 1.00 0.00 N ATOM 0 H HIS A 89 21.968 21.710 -2.256 1.00 0.00 H new ATOM 0 HA HIS A 89 21.916 18.768 -2.442 1.00 0.00 H new ATOM 0 HB2 HIS A 89 24.334 20.589 -2.136 1.00 0.00 H new ATOM 0 HB3 HIS A 89 24.373 18.878 -1.759 1.00 0.00 H new ATOM 0 HD2 HIS A 89 23.488 17.296 -4.216 1.00 0.00 H new ATOM 0 HE1 HIS A 89 25.427 20.120 -6.713 1.00 0.00 H new ATOM 0 HE2 HIS A 89 24.436 17.779 -6.596 1.00 0.00 H new ATOM 1448 N HIS A 90 21.904 20.878 -0.008 1.00 0.00 N ATOM 1449 CA HIS A 90 21.776 21.040 1.434 1.00 0.00 C ATOM 1450 C HIS A 90 20.472 20.415 1.924 1.00 0.00 C ATOM 1451 O HIS A 90 19.433 21.080 2.004 1.00 0.00 O ATOM 1452 CB HIS A 90 21.847 22.523 1.827 1.00 0.00 C ATOM 1453 CG HIS A 90 21.929 22.767 3.310 1.00 0.00 C ATOM 1454 ND1 HIS A 90 21.868 24.026 3.865 1.00 0.00 N ATOM 1455 CD2 HIS A 90 22.070 21.910 4.350 1.00 0.00 C ATOM 1456 CE1 HIS A 90 21.967 23.933 5.179 1.00 0.00 C ATOM 1457 NE2 HIS A 90 22.091 22.659 5.500 1.00 0.00 N ATOM 0 H HIS A 90 21.729 21.726 -0.548 1.00 0.00 H new ATOM 0 HA HIS A 90 22.609 20.525 1.912 1.00 0.00 H new ATOM 0 HB2 HIS A 90 22.717 22.973 1.348 1.00 0.00 H new ATOM 0 HB3 HIS A 90 20.967 23.033 1.435 1.00 0.00 H new ATOM 0 HD2 HIS A 90 22.151 20.835 4.286 1.00 0.00 H new ATOM 0 HE1 HIS A 90 21.949 24.760 5.873 1.00 0.00 H new ATOM 0 HE2 HIS A 90 22.187 22.291 6.447 1.00 0.00 H new ATOM 1466 N HIS A 91 20.539 19.129 2.234 1.00 0.00 N ATOM 1467 CA HIS A 91 19.388 18.394 2.730 1.00 0.00 C ATOM 1468 C HIS A 91 19.003 18.907 4.109 1.00 0.00 C ATOM 1469 O HIS A 91 19.837 18.973 5.012 1.00 0.00 O ATOM 1470 CB HIS A 91 19.690 16.890 2.769 1.00 0.00 C ATOM 1471 CG HIS A 91 19.803 16.265 1.409 1.00 0.00 C ATOM 1472 ND1 HIS A 91 21.009 15.949 0.816 1.00 0.00 N ATOM 1473 CD2 HIS A 91 18.847 15.903 0.522 1.00 0.00 C ATOM 1474 CE1 HIS A 91 20.786 15.424 -0.373 1.00 0.00 C ATOM 1475 NE2 HIS A 91 19.485 15.384 -0.576 1.00 0.00 N ATOM 0 H HIS A 91 21.388 18.569 2.149 1.00 0.00 H new ATOM 0 HA HIS A 91 18.547 18.551 2.055 1.00 0.00 H new ATOM 0 HB2 HIS A 91 20.621 16.729 3.312 1.00 0.00 H new ATOM 0 HB3 HIS A 91 18.903 16.384 3.328 1.00 0.00 H new ATOM 0 HD2 HIS A 91 17.780 16.004 0.654 1.00 0.00 H new ATOM 0 HE1 HIS A 91 21.543 15.084 -1.064 1.00 0.00 H new ATOM 0 HE2 HIS A 91 19.026 15.025 -1.414 1.00 0.00 H new ATOM 1484 N HIS A 92 17.746 19.293 4.260 1.00 0.00 N ATOM 1485 CA HIS A 92 17.281 19.886 5.508 1.00 0.00 C ATOM 1486 C HIS A 92 15.844 19.471 5.797 1.00 0.00 C ATOM 1487 O HIS A 92 15.077 20.210 6.410 1.00 0.00 O ATOM 1488 CB HIS A 92 17.419 21.419 5.465 1.00 0.00 C ATOM 1489 CG HIS A 92 16.608 22.106 4.404 1.00 0.00 C ATOM 1490 ND1 HIS A 92 16.998 22.181 3.083 1.00 0.00 N ATOM 1491 CD2 HIS A 92 15.432 22.777 4.482 1.00 0.00 C ATOM 1492 CE1 HIS A 92 16.101 22.868 2.400 1.00 0.00 C ATOM 1493 NE2 HIS A 92 15.138 23.244 3.223 1.00 0.00 N ATOM 0 H HIS A 92 17.030 19.208 3.538 1.00 0.00 H new ATOM 0 HA HIS A 92 17.907 19.516 6.320 1.00 0.00 H new ATOM 0 HB2 HIS A 92 17.131 21.821 6.436 1.00 0.00 H new ATOM 0 HB3 HIS A 92 18.469 21.669 5.315 1.00 0.00 H new ATOM 0 HD1 HIS A 92 17.847 21.770 2.695 1.00 0.00 H new ATOM 0 HD2 HIS A 92 14.835 22.919 5.371 1.00 0.00 H new ATOM 0 HE1 HIS A 92 16.147 23.087 1.343 1.00 0.00 H new ATOM 1502 N HIS A 93 15.504 18.265 5.369 1.00 0.00 N ATOM 1503 CA HIS A 93 14.179 17.697 5.588 1.00 0.00 C ATOM 1504 C HIS A 93 14.238 16.212 5.288 1.00 0.00 C ATOM 1505 O HIS A 93 13.880 15.375 6.113 1.00 0.00 O ATOM 1506 CB HIS A 93 13.133 18.374 4.694 1.00 0.00 C ATOM 1507 CG HIS A 93 11.719 17.973 5.005 1.00 0.00 C ATOM 1508 ND1 HIS A 93 10.972 17.141 4.196 1.00 0.00 N ATOM 1509 CD2 HIS A 93 10.912 18.306 6.042 1.00 0.00 C ATOM 1510 CE1 HIS A 93 9.772 16.983 4.720 1.00 0.00 C ATOM 1511 NE2 HIS A 93 9.708 17.676 5.840 1.00 0.00 N ATOM 0 H HIS A 93 16.138 17.650 4.859 1.00 0.00 H new ATOM 0 HA HIS A 93 13.884 17.862 6.624 1.00 0.00 H new ATOM 0 HB2 HIS A 93 13.225 19.455 4.797 1.00 0.00 H new ATOM 0 HB3 HIS A 93 13.348 18.134 3.653 1.00 0.00 H new ATOM 0 HD2 HIS A 93 11.168 18.947 6.872 1.00 0.00 H new ATOM 0 HE1 HIS A 93 8.975 16.386 4.302 1.00 0.00 H new ATOM 0 HE2 HIS A 93 8.897 17.735 6.456 1.00 0.00 H new ATOM 1520 N HIS A 94 14.707 15.903 4.094 1.00 0.00 N ATOM 1521 CA HIS A 94 14.977 14.539 3.694 1.00 0.00 C ATOM 1522 C HIS A 94 16.104 14.547 2.681 1.00 0.00 C ATOM 1523 O HIS A 94 17.235 14.189 3.054 1.00 0.00 O ATOM 1524 CB HIS A 94 13.730 13.859 3.114 1.00 0.00 C ATOM 1525 CG HIS A 94 13.109 12.868 4.052 1.00 0.00 C ATOM 1526 ND1 HIS A 94 11.748 12.673 4.166 1.00 0.00 N ATOM 1527 CD2 HIS A 94 13.684 11.996 4.912 1.00 0.00 C ATOM 1528 CE1 HIS A 94 11.518 11.726 5.056 1.00 0.00 C ATOM 1529 NE2 HIS A 94 12.676 11.295 5.522 1.00 0.00 N ATOM 1530 OXT HIS A 94 15.864 14.986 1.539 1.00 0.00 O ATOM 0 H HIS A 94 14.912 16.595 3.373 1.00 0.00 H new ATOM 0 HA HIS A 94 15.269 13.963 4.572 1.00 0.00 H new ATOM 0 HB2 HIS A 94 12.993 14.621 2.860 1.00 0.00 H new ATOM 0 HB3 HIS A 94 13.998 13.353 2.186 1.00 0.00 H new ATOM 0 HD2 HIS A 94 14.743 11.874 5.086 1.00 0.00 H new ATOM 0 HE1 HIS A 94 10.545 11.364 5.354 1.00 0.00 H new ATOM 0 HE2 HIS A 94 12.800 10.562 6.220 1.00 0.00 H new TER 1539 HIS A 94