USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 784 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 73 GLN : amide:sc= 0 X(o=0,f=0.28) USER MOD Set 1.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 28 HIS : no HD1:sc= -1.79! C(o=-1.2!,f=-7.1!) USER MOD Set 2.2: A 71 THR OG1 : rot 47:sc= 0.565 USER MOD Set 3.1: A 24 THR OG1 : rot 180:sc= 0.758 USER MOD Set 3.2: A 27 SER OG : rot 37:sc= 1.08 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 1.17 (180deg=0.351!) USER MOD Single : A 2 THR OG1 : rot 88:sc= 0.107 USER MOD Single : A 3 SER OG : rot 180:sc= -0.123 USER MOD Single : A 4 THR OG1 : rot -140:sc=-0.00874 USER MOD Single : A 10 THR OG1 : rot 75:sc= 0.524 USER MOD Single : A 15 THR OG1 : rot 85:sc= 1.21 USER MOD Single : A 16 CYS SG : rot -39:sc= -0.037 USER MOD Single : A 22 THR OG1 : rot -64:sc= 1.16 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 172:sc= -0.0126 (180deg=-0.0984) USER MOD Single : A 61 THR OG1 : rot 76:sc= 0.941 USER MOD Single : A 62 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.12) USER MOD Single : A 65 ASN : amide:sc= -0.392 X(o=-0.39,f=-0.059) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.388 K(o=0.39,f=-1.3) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.0164 K(o=-0.016,f=-0.91) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.380 3.477 5.516 1.00 0.00 N ATOM 2 CA MET A 1 -12.318 2.055 5.942 1.00 0.00 C ATOM 3 C MET A 1 -12.845 1.177 4.790 1.00 0.00 C ATOM 4 O MET A 1 -14.060 1.037 4.618 1.00 0.00 O ATOM 5 CB MET A 1 -13.138 1.818 7.247 1.00 0.00 C ATOM 6 CG MET A 1 -12.798 2.769 8.401 1.00 0.00 C ATOM 7 SD MET A 1 -13.326 4.469 8.068 1.00 0.00 S ATOM 8 CE MET A 1 -12.627 5.364 9.457 1.00 0.00 C ATOM 0 H1 MET A 1 -12.394 4.091 6.356 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.546 3.702 4.937 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.243 3.635 4.957 1.00 0.00 H new ATOM 0 HA MET A 1 -11.285 1.788 6.166 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.199 1.915 7.016 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.976 0.793 7.580 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.276 2.415 9.314 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.723 2.753 8.578 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.879 6.421 9.373 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.034 4.967 10.387 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.543 5.248 9.456 1.00 0.00 H new ATOM 20 N THR A 2 -11.923 0.598 3.996 1.00 0.00 N ATOM 21 CA THR A 2 -12.265 -0.147 2.763 1.00 0.00 C ATOM 22 C THR A 2 -11.371 -1.396 2.619 1.00 0.00 C ATOM 23 O THR A 2 -11.859 -2.532 2.600 1.00 0.00 O ATOM 24 CB THR A 2 -12.104 0.773 1.501 1.00 0.00 C ATOM 25 OG1 THR A 2 -12.859 1.975 1.686 1.00 0.00 O ATOM 26 CG2 THR A 2 -12.549 0.097 0.191 1.00 0.00 C ATOM 0 H THR A 2 -10.922 0.632 4.189 1.00 0.00 H new ATOM 0 HA THR A 2 -13.305 -0.465 2.836 1.00 0.00 H new ATOM 0 HB THR A 2 -11.040 0.988 1.406 1.00 0.00 H new ATOM 0 HG1 THR A 2 -12.307 2.641 2.147 1.00 0.00 H new ATOM 0 HG21 THR A 2 -12.411 0.788 -0.640 1.00 0.00 H new ATOM 0 HG22 THR A 2 -11.950 -0.798 0.022 1.00 0.00 H new ATOM 0 HG23 THR A 2 -13.601 -0.178 0.263 1.00 0.00 H new ATOM 34 N SER A 3 -10.049 -1.161 2.575 1.00 0.00 N ATOM 35 CA SER A 3 -9.048 -2.182 2.227 1.00 0.00 C ATOM 36 C SER A 3 -7.660 -1.769 2.777 1.00 0.00 C ATOM 37 O SER A 3 -7.531 -0.751 3.482 1.00 0.00 O ATOM 38 CB SER A 3 -9.021 -2.350 0.676 1.00 0.00 C ATOM 39 OG SER A 3 -8.161 -3.400 0.268 1.00 0.00 O ATOM 0 H SER A 3 -9.642 -0.249 2.782 1.00 0.00 H new ATOM 0 HA SER A 3 -9.310 -3.139 2.679 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.030 -2.548 0.316 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.696 -1.417 0.216 1.00 0.00 H new ATOM 0 HG SER A 3 -8.174 -3.473 -0.709 1.00 0.00 H new ATOM 45 N THR A 4 -6.631 -2.574 2.460 1.00 0.00 N ATOM 46 CA THR A 4 -5.230 -2.242 2.753 1.00 0.00 C ATOM 47 C THR A 4 -4.835 -0.932 2.045 1.00 0.00 C ATOM 48 O THR A 4 -4.203 -0.075 2.648 1.00 0.00 O ATOM 49 CB THR A 4 -4.282 -3.404 2.312 1.00 0.00 C ATOM 50 OG1 THR A 4 -4.682 -4.617 2.964 1.00 0.00 O ATOM 51 CG2 THR A 4 -2.812 -3.114 2.639 1.00 0.00 C ATOM 0 H THR A 4 -6.750 -3.473 1.993 1.00 0.00 H new ATOM 0 HA THR A 4 -5.126 -2.106 3.829 1.00 0.00 H new ATOM 0 HB THR A 4 -4.365 -3.503 1.230 1.00 0.00 H new ATOM 0 HG1 THR A 4 -3.886 -5.118 3.240 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.195 -3.951 2.313 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.496 -2.208 2.122 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.699 -2.977 3.714 1.00 0.00 H new ATOM 59 N PHE A 5 -5.273 -0.784 0.773 1.00 0.00 N ATOM 60 CA PHE A 5 -5.060 0.449 -0.027 1.00 0.00 C ATOM 61 C PHE A 5 -5.623 1.695 0.688 1.00 0.00 C ATOM 62 O PHE A 5 -4.990 2.744 0.685 1.00 0.00 O ATOM 63 CB PHE A 5 -5.683 0.313 -1.454 1.00 0.00 C ATOM 64 CG PHE A 5 -5.813 1.654 -2.199 1.00 0.00 C ATOM 65 CD1 PHE A 5 -4.685 2.396 -2.544 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.068 2.201 -2.491 1.00 0.00 C ATOM 67 CE1 PHE A 5 -4.809 3.631 -3.143 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.179 3.432 -3.104 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.051 4.145 -3.423 1.00 0.00 C ATOM 0 H PHE A 5 -5.782 -1.512 0.272 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.983 0.579 -0.133 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.068 -0.365 -2.047 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.669 -0.143 -1.369 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.702 1.998 -2.340 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -7.961 1.652 -2.233 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.924 4.198 -3.394 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.155 3.835 -3.333 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.140 5.112 -3.895 1.00 0.00 H new ATOM 79 N ASP A 6 -6.821 1.552 1.269 1.00 0.00 N ATOM 80 CA ASP A 6 -7.488 2.621 2.054 1.00 0.00 C ATOM 81 C ASP A 6 -6.544 3.149 3.146 1.00 0.00 C ATOM 82 O ASP A 6 -6.296 4.362 3.249 1.00 0.00 O ATOM 83 CB ASP A 6 -8.781 2.039 2.668 1.00 0.00 C ATOM 84 CG ASP A 6 -9.563 2.986 3.599 1.00 0.00 C ATOM 85 OD1 ASP A 6 -9.226 3.082 4.798 1.00 0.00 O ATOM 86 OD2 ASP A 6 -10.563 3.585 3.149 1.00 0.00 O ATOM 0 H ASP A 6 -7.365 0.691 1.213 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.741 3.462 1.408 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.440 1.731 1.856 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.523 1.140 3.228 1.00 0.00 H new ATOM 91 N ARG A 7 -5.998 2.199 3.921 1.00 0.00 N ATOM 92 CA ARG A 7 -5.071 2.497 5.021 1.00 0.00 C ATOM 93 C ARG A 7 -3.750 3.121 4.508 1.00 0.00 C ATOM 94 O ARG A 7 -3.270 4.104 5.070 1.00 0.00 O ATOM 95 CB ARG A 7 -4.775 1.214 5.831 1.00 0.00 C ATOM 96 CG ARG A 7 -6.028 0.497 6.384 1.00 0.00 C ATOM 97 CD ARG A 7 -6.883 1.394 7.301 1.00 0.00 C ATOM 98 NE ARG A 7 -8.040 0.672 7.872 1.00 0.00 N ATOM 99 CZ ARG A 7 -9.008 1.231 8.613 1.00 0.00 C ATOM 100 NH1 ARG A 7 -9.018 2.538 8.847 1.00 0.00 N ATOM 101 NH2 ARG A 7 -9.977 0.466 9.098 1.00 0.00 N ATOM 0 H ARG A 7 -6.187 1.204 3.802 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.552 3.230 5.668 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.225 0.519 5.197 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -4.121 1.470 6.665 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.640 0.152 5.550 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.717 -0.388 6.939 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -6.262 1.779 8.110 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.238 2.255 6.735 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.107 -0.329 7.688 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.283 3.131 8.461 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -9.761 2.949 9.412 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.980 -0.536 8.906 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -10.719 0.879 9.663 1.00 0.00 H new ATOM 115 N VAL A 8 -3.196 2.561 3.410 1.00 0.00 N ATOM 116 CA VAL A 8 -1.884 2.963 2.848 1.00 0.00 C ATOM 117 C VAL A 8 -1.954 4.366 2.215 1.00 0.00 C ATOM 118 O VAL A 8 -1.005 5.147 2.316 1.00 0.00 O ATOM 119 CB VAL A 8 -1.387 1.897 1.792 1.00 0.00 C ATOM 120 CG1 VAL A 8 -0.127 2.363 1.019 1.00 0.00 C ATOM 121 CG2 VAL A 8 -1.124 0.541 2.488 1.00 0.00 C ATOM 0 H VAL A 8 -3.648 1.813 2.884 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.164 3.004 3.666 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.182 1.780 1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.169 1.592 0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.350 3.285 0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.687 2.540 1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.782 -0.186 1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.360 0.668 3.255 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.045 0.184 2.949 1.00 0.00 H new ATOM 131 N ALA A 9 -3.097 4.672 1.584 1.00 0.00 N ATOM 132 CA ALA A 9 -3.367 5.988 0.970 1.00 0.00 C ATOM 133 C ALA A 9 -3.449 7.071 2.049 1.00 0.00 C ATOM 134 O ALA A 9 -3.023 8.203 1.826 1.00 0.00 O ATOM 135 CB ALA A 9 -4.665 5.966 0.143 1.00 0.00 C ATOM 0 H ALA A 9 -3.868 4.011 1.483 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.542 6.217 0.296 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.834 6.950 -0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.578 5.225 -0.652 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.504 5.707 0.789 1.00 0.00 H new ATOM 141 N THR A 10 -4.020 6.704 3.217 1.00 0.00 N ATOM 142 CA THR A 10 -4.057 7.574 4.408 1.00 0.00 C ATOM 143 C THR A 10 -2.633 7.817 4.968 1.00 0.00 C ATOM 144 O THR A 10 -2.310 8.945 5.355 1.00 0.00 O ATOM 145 CB THR A 10 -4.984 6.980 5.525 1.00 0.00 C ATOM 146 OG1 THR A 10 -6.313 6.774 5.004 1.00 0.00 O ATOM 147 CG2 THR A 10 -5.066 7.889 6.769 1.00 0.00 C ATOM 0 H THR A 10 -4.467 5.798 3.358 1.00 0.00 H new ATOM 0 HA THR A 10 -4.473 8.531 4.094 1.00 0.00 H new ATOM 0 HB THR A 10 -4.543 6.032 5.832 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.318 5.984 4.424 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.720 7.432 7.511 1.00 0.00 H new ATOM 0 HG22 THR A 10 -4.070 8.017 7.193 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.466 8.862 6.483 1.00 0.00 H new ATOM 155 N ILE A 11 -1.792 6.758 5.002 1.00 0.00 N ATOM 156 CA ILE A 11 -0.367 6.871 5.408 1.00 0.00 C ATOM 157 C ILE A 11 0.363 7.897 4.521 1.00 0.00 C ATOM 158 O ILE A 11 0.945 8.856 5.027 1.00 0.00 O ATOM 159 CB ILE A 11 0.365 5.470 5.333 1.00 0.00 C ATOM 160 CG1 ILE A 11 -0.350 4.437 6.259 1.00 0.00 C ATOM 161 CG2 ILE A 11 1.872 5.584 5.681 1.00 0.00 C ATOM 162 CD1 ILE A 11 0.131 2.994 6.151 1.00 0.00 C ATOM 0 H ILE A 11 -2.075 5.810 4.752 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.341 7.212 6.443 1.00 0.00 H new ATOM 0 HB ILE A 11 0.304 5.117 4.304 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.230 4.762 7.292 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.417 4.460 6.039 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.336 4.600 5.617 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.358 6.260 4.977 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.983 5.973 6.693 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.437 2.369 6.840 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.016 2.637 5.132 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.190 2.944 6.404 1.00 0.00 H new ATOM 174 N ILE A 12 0.257 7.709 3.195 1.00 0.00 N ATOM 175 CA ILE A 12 0.882 8.587 2.190 1.00 0.00 C ATOM 176 C ILE A 12 0.367 10.039 2.328 1.00 0.00 C ATOM 177 O ILE A 12 1.157 10.993 2.275 1.00 0.00 O ATOM 178 CB ILE A 12 0.621 8.037 0.731 1.00 0.00 C ATOM 179 CG1 ILE A 12 1.336 6.659 0.541 1.00 0.00 C ATOM 180 CG2 ILE A 12 1.041 9.050 -0.368 1.00 0.00 C ATOM 181 CD1 ILE A 12 1.257 6.065 -0.859 1.00 0.00 C ATOM 0 H ILE A 12 -0.269 6.937 2.786 1.00 0.00 H new ATOM 0 HA ILE A 12 1.958 8.593 2.367 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.454 7.893 0.618 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.386 6.775 0.809 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.905 5.946 1.244 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.841 8.624 -1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.472 9.972 -0.250 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.105 9.266 -0.276 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.784 5.111 -0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.213 5.908 -1.129 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.717 6.750 -1.571 1.00 0.00 H new ATOM 193 N ALA A 13 -0.964 10.173 2.496 1.00 0.00 N ATOM 194 CA ALA A 13 -1.648 11.456 2.742 1.00 0.00 C ATOM 195 C ALA A 13 -1.011 12.271 3.877 1.00 0.00 C ATOM 196 O ALA A 13 -0.485 13.363 3.649 1.00 0.00 O ATOM 197 CB ALA A 13 -3.130 11.203 3.054 1.00 0.00 C ATOM 0 H ALA A 13 -1.603 9.379 2.464 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.546 12.048 1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.631 12.154 3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.599 10.701 2.208 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.213 10.575 3.941 1.00 0.00 H new ATOM 203 N GLU A 14 -1.051 11.701 5.094 1.00 0.00 N ATOM 204 CA GLU A 14 -0.593 12.376 6.328 1.00 0.00 C ATOM 205 C GLU A 14 0.932 12.630 6.309 1.00 0.00 C ATOM 206 O GLU A 14 1.415 13.553 6.969 1.00 0.00 O ATOM 207 CB GLU A 14 -0.996 11.545 7.578 1.00 0.00 C ATOM 208 CG GLU A 14 -2.507 11.272 7.693 1.00 0.00 C ATOM 209 CD GLU A 14 -2.886 10.537 8.993 1.00 0.00 C ATOM 210 OE1 GLU A 14 -3.123 11.215 10.027 1.00 0.00 O ATOM 211 OE2 GLU A 14 -2.922 9.288 9.001 1.00 0.00 O ATOM 0 H GLU A 14 -1.402 10.757 5.253 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.084 13.348 6.378 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.467 10.592 7.553 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.664 12.071 8.473 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.047 12.218 7.646 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.830 10.678 6.838 1.00 0.00 H new ATOM 218 N THR A 15 1.668 11.805 5.534 1.00 0.00 N ATOM 219 CA THR A 15 3.135 11.898 5.411 1.00 0.00 C ATOM 220 C THR A 15 3.554 13.041 4.452 1.00 0.00 C ATOM 221 O THR A 15 4.437 13.845 4.792 1.00 0.00 O ATOM 222 CB THR A 15 3.735 10.527 4.929 1.00 0.00 C ATOM 223 OG1 THR A 15 3.451 9.520 5.909 1.00 0.00 O ATOM 224 CG2 THR A 15 5.254 10.582 4.684 1.00 0.00 C ATOM 0 H THR A 15 1.259 11.055 4.976 1.00 0.00 H new ATOM 0 HA THR A 15 3.536 12.129 6.398 1.00 0.00 H new ATOM 0 HB THR A 15 3.267 10.291 3.973 1.00 0.00 H new ATOM 0 HG1 THR A 15 2.557 9.151 5.750 1.00 0.00 H new ATOM 0 HG21 THR A 15 5.605 9.604 4.354 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.472 11.324 3.916 1.00 0.00 H new ATOM 0 HG23 THR A 15 5.762 10.856 5.609 1.00 0.00 H new ATOM 232 N CYS A 16 2.909 13.127 3.270 1.00 0.00 N ATOM 233 CA CYS A 16 3.330 14.034 2.172 1.00 0.00 C ATOM 234 C CYS A 16 2.440 15.300 2.096 1.00 0.00 C ATOM 235 O CYS A 16 2.644 16.146 1.216 1.00 0.00 O ATOM 236 CB CYS A 16 3.274 13.254 0.830 1.00 0.00 C ATOM 237 SG CYS A 16 4.118 14.071 -0.544 1.00 0.00 S ATOM 0 H CYS A 16 2.083 12.572 3.046 1.00 0.00 H new ATOM 0 HA CYS A 16 4.348 14.371 2.370 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.716 12.269 0.978 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.230 13.098 0.558 1.00 0.00 H new ATOM 0 HG CYS A 16 3.910 15.353 -0.480 1.00 0.00 H new ATOM 243 N ASP A 17 1.511 15.434 3.066 1.00 0.00 N ATOM 244 CA ASP A 17 0.434 16.453 3.085 1.00 0.00 C ATOM 245 C ASP A 17 -0.320 16.533 1.733 1.00 0.00 C ATOM 246 O ASP A 17 -0.070 17.424 0.909 1.00 0.00 O ATOM 247 CB ASP A 17 0.944 17.846 3.550 1.00 0.00 C ATOM 248 CG ASP A 17 -0.213 18.810 3.882 1.00 0.00 C ATOM 249 OD1 ASP A 17 -0.782 18.689 4.993 1.00 0.00 O ATOM 250 OD2 ASP A 17 -0.575 19.666 3.040 1.00 0.00 O ATOM 0 H ASP A 17 1.487 14.821 3.881 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.289 16.122 3.831 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.577 17.724 4.429 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.565 18.283 2.768 1.00 0.00 H new ATOM 255 N ILE A 18 -1.200 15.547 1.510 1.00 0.00 N ATOM 256 CA ILE A 18 -2.053 15.441 0.307 1.00 0.00 C ATOM 257 C ILE A 18 -3.398 14.783 0.706 1.00 0.00 C ATOM 258 O ILE A 18 -3.402 13.910 1.569 1.00 0.00 O ATOM 259 CB ILE A 18 -1.354 14.614 -0.860 1.00 0.00 C ATOM 260 CG1 ILE A 18 -0.589 13.361 -0.298 1.00 0.00 C ATOM 261 CG2 ILE A 18 -0.414 15.509 -1.710 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.138 12.530 -1.340 1.00 0.00 C ATOM 0 H ILE A 18 -1.345 14.784 2.171 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.223 16.445 -0.082 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.145 14.252 -1.517 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.134 13.699 0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.303 12.721 0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.045 14.910 -2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.990 16.318 -2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.364 15.928 -1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.634 11.690 -0.854 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.578 12.155 -2.071 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.881 13.148 -1.844 1.00 0.00 H new ATOM 274 N PRO A 19 -4.568 15.228 0.138 1.00 0.00 N ATOM 275 CA PRO A 19 -5.867 14.530 0.340 1.00 0.00 C ATOM 276 C PRO A 19 -5.815 13.094 -0.242 1.00 0.00 C ATOM 277 O PRO A 19 -5.496 12.919 -1.417 1.00 0.00 O ATOM 278 CB PRO A 19 -6.892 15.431 -0.419 1.00 0.00 C ATOM 279 CG PRO A 19 -6.065 16.232 -1.378 1.00 0.00 C ATOM 280 CD PRO A 19 -4.730 16.447 -0.698 1.00 0.00 C ATOM 0 HA PRO A 19 -6.130 14.404 1.390 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.634 14.829 -0.944 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.436 16.078 0.270 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.941 15.703 -2.323 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.545 17.184 -1.606 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.922 16.548 -1.422 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.729 17.353 -0.092 1.00 0.00 H new ATOM 288 N ARG A 20 -6.147 12.078 0.588 1.00 0.00 N ATOM 289 CA ARG A 20 -5.946 10.644 0.239 1.00 0.00 C ATOM 290 C ARG A 20 -6.906 10.156 -0.866 1.00 0.00 C ATOM 291 O ARG A 20 -6.658 9.119 -1.489 1.00 0.00 O ATOM 292 CB ARG A 20 -6.030 9.744 1.511 1.00 0.00 C ATOM 293 CG ARG A 20 -7.434 9.523 2.149 1.00 0.00 C ATOM 294 CD ARG A 20 -8.158 8.271 1.624 1.00 0.00 C ATOM 295 NE ARG A 20 -9.423 8.021 2.337 1.00 0.00 N ATOM 296 CZ ARG A 20 -10.054 6.850 2.385 1.00 0.00 C ATOM 297 NH1 ARG A 20 -9.622 5.815 1.689 1.00 0.00 N ATOM 298 NH2 ARG A 20 -11.142 6.717 3.106 1.00 0.00 N ATOM 0 H ARG A 20 -6.558 12.222 1.510 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.941 10.558 -0.174 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.619 8.767 1.258 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.380 10.177 2.272 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.324 9.442 3.230 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.054 10.399 1.956 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.360 8.389 0.559 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.505 7.404 1.730 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.848 8.805 2.832 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.792 5.905 1.103 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.118 4.925 1.738 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.506 7.512 3.631 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.624 5.819 3.141 1.00 0.00 H new ATOM 312 N GLU A 21 -7.980 10.928 -1.124 1.00 0.00 N ATOM 313 CA GLU A 21 -9.029 10.549 -2.094 1.00 0.00 C ATOM 314 C GLU A 21 -8.658 11.038 -3.510 1.00 0.00 C ATOM 315 O GLU A 21 -9.419 10.821 -4.452 1.00 0.00 O ATOM 316 CB GLU A 21 -10.441 11.073 -1.671 1.00 0.00 C ATOM 317 CG GLU A 21 -10.556 12.599 -1.419 1.00 0.00 C ATOM 318 CD GLU A 21 -10.319 13.006 0.048 1.00 0.00 C ATOM 319 OE1 GLU A 21 -9.156 13.100 0.474 1.00 0.00 O ATOM 320 OE2 GLU A 21 -11.304 13.210 0.791 1.00 0.00 O ATOM 0 H GLU A 21 -8.145 11.826 -0.670 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.086 9.461 -2.105 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.155 10.799 -2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.742 10.552 -0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.835 13.118 -2.051 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.547 12.935 -1.724 1.00 0.00 H new ATOM 327 N THR A 22 -7.506 11.741 -3.654 1.00 0.00 N ATOM 328 CA THR A 22 -6.894 11.985 -4.976 1.00 0.00 C ATOM 329 C THR A 22 -5.926 10.840 -5.341 1.00 0.00 C ATOM 330 O THR A 22 -5.579 10.670 -6.517 1.00 0.00 O ATOM 331 CB THR A 22 -6.138 13.353 -5.035 1.00 0.00 C ATOM 332 OG1 THR A 22 -5.107 13.386 -4.046 1.00 0.00 O ATOM 333 CG2 THR A 22 -7.090 14.547 -4.826 1.00 0.00 C ATOM 0 H THR A 22 -6.988 12.145 -2.873 1.00 0.00 H new ATOM 0 HA THR A 22 -7.707 12.023 -5.701 1.00 0.00 H new ATOM 0 HB THR A 22 -5.702 13.441 -6.030 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.509 13.346 -3.153 1.00 0.00 H new ATOM 0 HG21 THR A 22 -6.523 15.477 -4.875 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.852 14.545 -5.605 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.569 14.464 -3.850 1.00 0.00 H new ATOM 341 N ILE A 23 -5.503 10.045 -4.329 1.00 0.00 N ATOM 342 CA ILE A 23 -4.631 8.881 -4.548 1.00 0.00 C ATOM 343 C ILE A 23 -5.532 7.725 -5.028 1.00 0.00 C ATOM 344 O ILE A 23 -6.396 7.259 -4.282 1.00 0.00 O ATOM 345 CB ILE A 23 -3.817 8.459 -3.239 1.00 0.00 C ATOM 346 CG1 ILE A 23 -2.706 9.506 -2.859 1.00 0.00 C ATOM 347 CG2 ILE A 23 -3.186 7.048 -3.400 1.00 0.00 C ATOM 348 CD1 ILE A 23 -3.193 10.861 -2.381 1.00 0.00 C ATOM 0 H ILE A 23 -5.756 10.195 -3.352 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.875 9.133 -5.292 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.539 8.433 -2.423 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.081 9.073 -2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.069 9.659 -3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.639 6.789 -2.494 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.974 6.314 -3.571 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.502 7.050 -4.249 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.337 11.495 -2.150 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.790 11.330 -3.163 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.802 10.734 -1.486 1.00 0.00 H new ATOM 360 N THR A 24 -5.367 7.326 -6.296 1.00 0.00 N ATOM 361 CA THR A 24 -6.127 6.224 -6.909 1.00 0.00 C ATOM 362 C THR A 24 -5.362 4.899 -6.695 1.00 0.00 C ATOM 363 O THR A 24 -4.152 4.937 -6.443 1.00 0.00 O ATOM 364 CB THR A 24 -6.339 6.487 -8.445 1.00 0.00 C ATOM 365 OG1 THR A 24 -5.081 6.490 -9.134 1.00 0.00 O ATOM 366 CG2 THR A 24 -7.062 7.823 -8.701 1.00 0.00 C ATOM 0 H THR A 24 -4.698 7.761 -6.931 1.00 0.00 H new ATOM 0 HA THR A 24 -7.107 6.159 -6.437 1.00 0.00 H new ATOM 0 HB THR A 24 -6.964 5.679 -8.825 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.231 6.653 -10.089 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.189 7.968 -9.774 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.039 7.806 -8.218 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.470 8.641 -8.292 1.00 0.00 H new ATOM 374 N PRO A 25 -6.030 3.701 -6.775 1.00 0.00 N ATOM 375 CA PRO A 25 -5.324 2.399 -6.674 1.00 0.00 C ATOM 376 C PRO A 25 -4.334 2.181 -7.842 1.00 0.00 C ATOM 377 O PRO A 25 -3.383 1.417 -7.722 1.00 0.00 O ATOM 378 CB PRO A 25 -6.472 1.350 -6.671 1.00 0.00 C ATOM 379 CG PRO A 25 -7.625 2.051 -7.329 1.00 0.00 C ATOM 380 CD PRO A 25 -7.501 3.507 -6.929 1.00 0.00 C ATOM 0 HA PRO A 25 -4.701 2.332 -5.782 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.189 0.451 -7.219 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.723 1.039 -5.657 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.585 1.938 -8.412 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.577 1.634 -6.999 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.916 4.169 -7.689 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.033 3.715 -6.001 1.00 0.00 H new ATOM 388 N GLU A 26 -4.527 2.930 -8.943 1.00 0.00 N ATOM 389 CA GLU A 26 -3.693 2.824 -10.151 1.00 0.00 C ATOM 390 C GLU A 26 -2.602 3.921 -10.154 1.00 0.00 C ATOM 391 O GLU A 26 -1.900 4.098 -11.154 1.00 0.00 O ATOM 392 CB GLU A 26 -4.592 2.923 -11.407 1.00 0.00 C ATOM 393 CG GLU A 26 -5.405 4.230 -11.519 1.00 0.00 C ATOM 394 CD GLU A 26 -6.349 4.260 -12.729 1.00 0.00 C ATOM 395 OE1 GLU A 26 -5.888 4.569 -13.846 1.00 0.00 O ATOM 396 OE2 GLU A 26 -7.556 3.978 -12.570 1.00 0.00 O ATOM 0 H GLU A 26 -5.268 3.627 -9.019 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.188 1.858 -10.159 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.966 2.824 -12.294 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.283 2.080 -11.409 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.989 4.365 -10.609 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.717 5.073 -11.584 1.00 0.00 H new ATOM 403 N SER A 27 -2.466 4.647 -9.022 1.00 0.00 N ATOM 404 CA SER A 27 -1.403 5.645 -8.841 1.00 0.00 C ATOM 405 C SER A 27 -0.057 4.938 -8.692 1.00 0.00 C ATOM 406 O SER A 27 0.085 4.063 -7.842 1.00 0.00 O ATOM 407 CB SER A 27 -1.650 6.521 -7.586 1.00 0.00 C ATOM 408 OG SER A 27 -2.763 7.371 -7.754 1.00 0.00 O ATOM 0 H SER A 27 -3.087 4.555 -8.218 1.00 0.00 H new ATOM 0 HA SER A 27 -1.401 6.291 -9.719 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.810 5.879 -6.720 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.763 7.120 -7.380 1.00 0.00 H new ATOM 0 HG SER A 27 -3.456 6.905 -8.266 1.00 0.00 H new ATOM 414 N HIS A 28 0.911 5.301 -9.535 1.00 0.00 N ATOM 415 CA HIS A 28 2.298 4.901 -9.341 1.00 0.00 C ATOM 416 C HIS A 28 2.889 5.846 -8.289 1.00 0.00 C ATOM 417 O HIS A 28 3.008 7.040 -8.549 1.00 0.00 O ATOM 418 CB HIS A 28 3.088 4.992 -10.663 1.00 0.00 C ATOM 419 CG HIS A 28 4.421 4.296 -10.600 1.00 0.00 C ATOM 420 ND1 HIS A 28 5.497 4.813 -9.914 1.00 0.00 N ATOM 421 CD2 HIS A 28 4.776 3.117 -11.135 1.00 0.00 C ATOM 422 CE1 HIS A 28 6.470 3.936 -10.067 1.00 0.00 C ATOM 423 NE2 HIS A 28 6.077 2.890 -10.806 1.00 0.00 N ATOM 0 H HIS A 28 0.754 5.875 -10.363 1.00 0.00 H new ATOM 0 HA HIS A 28 2.358 3.864 -9.010 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.494 4.555 -11.466 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.243 6.041 -10.916 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.144 2.466 -11.721 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.460 4.047 -9.649 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.642 2.083 -11.070 1.00 0.00 H new ATOM 431 N ALA A 29 3.204 5.330 -7.098 1.00 0.00 N ATOM 432 CA ALA A 29 3.709 6.133 -5.970 1.00 0.00 C ATOM 433 C ALA A 29 4.887 7.055 -6.351 1.00 0.00 C ATOM 434 O ALA A 29 4.942 8.200 -5.908 1.00 0.00 O ATOM 435 CB ALA A 29 4.101 5.196 -4.821 1.00 0.00 C ATOM 0 H ALA A 29 3.117 4.337 -6.883 1.00 0.00 H new ATOM 0 HA ALA A 29 2.904 6.798 -5.657 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.475 5.784 -3.983 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.228 4.626 -4.503 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.878 4.511 -5.159 1.00 0.00 H new ATOM 441 N ILE A 30 5.772 6.585 -7.241 1.00 0.00 N ATOM 442 CA ILE A 30 7.024 7.296 -7.558 1.00 0.00 C ATOM 443 C ILE A 30 6.838 8.220 -8.789 1.00 0.00 C ATOM 444 O ILE A 30 7.250 9.383 -8.769 1.00 0.00 O ATOM 445 CB ILE A 30 8.212 6.287 -7.789 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.364 5.326 -6.560 1.00 0.00 C ATOM 447 CG2 ILE A 30 9.538 7.036 -8.076 1.00 0.00 C ATOM 448 CD1 ILE A 30 9.527 4.346 -6.651 1.00 0.00 C ATOM 0 H ILE A 30 5.646 5.714 -7.756 1.00 0.00 H new ATOM 0 HA ILE A 30 7.278 7.919 -6.700 1.00 0.00 H new ATOM 0 HB ILE A 30 7.978 5.685 -8.667 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.485 5.928 -5.659 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.440 4.760 -6.443 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.338 6.312 -8.231 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.424 7.648 -8.971 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.786 7.675 -7.228 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.550 3.725 -5.756 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.401 3.713 -7.529 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.463 4.899 -6.733 1.00 0.00 H new ATOM 460 N ASP A 31 6.187 7.695 -9.841 1.00 0.00 N ATOM 461 CA ASP A 31 6.051 8.388 -11.150 1.00 0.00 C ATOM 462 C ASP A 31 4.815 9.300 -11.187 1.00 0.00 C ATOM 463 O ASP A 31 4.888 10.441 -11.652 1.00 0.00 O ATOM 464 CB ASP A 31 5.985 7.346 -12.303 1.00 0.00 C ATOM 465 CG ASP A 31 5.859 7.995 -13.698 1.00 0.00 C ATOM 466 OD1 ASP A 31 6.863 8.550 -14.201 1.00 0.00 O ATOM 467 OD2 ASP A 31 4.760 7.971 -14.296 1.00 0.00 O ATOM 0 H ASP A 31 5.738 6.780 -9.816 1.00 0.00 H new ATOM 0 HA ASP A 31 6.930 9.019 -11.284 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.881 6.726 -12.277 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.135 6.684 -12.138 1.00 0.00 H new ATOM 472 N ASP A 32 3.684 8.790 -10.683 1.00 0.00 N ATOM 473 CA ASP A 32 2.380 9.485 -10.745 1.00 0.00 C ATOM 474 C ASP A 32 2.259 10.478 -9.581 1.00 0.00 C ATOM 475 O ASP A 32 2.130 11.682 -9.801 1.00 0.00 O ATOM 476 CB ASP A 32 1.220 8.454 -10.724 1.00 0.00 C ATOM 477 CG ASP A 32 -0.182 9.092 -10.675 1.00 0.00 C ATOM 478 OD1 ASP A 32 -0.677 9.542 -11.728 1.00 0.00 O ATOM 479 OD2 ASP A 32 -0.795 9.154 -9.584 1.00 0.00 O ATOM 0 H ASP A 32 3.641 7.883 -10.219 1.00 0.00 H new ATOM 0 HA ASP A 32 2.316 10.044 -11.679 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.291 7.824 -11.611 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.342 7.802 -9.859 1.00 0.00 H new ATOM 484 N LEU A 33 2.332 9.958 -8.337 1.00 0.00 N ATOM 485 CA LEU A 33 2.243 10.786 -7.114 1.00 0.00 C ATOM 486 C LEU A 33 3.500 11.673 -6.935 1.00 0.00 C ATOM 487 O LEU A 33 3.462 12.644 -6.176 1.00 0.00 O ATOM 488 CB LEU A 33 2.031 9.899 -5.857 1.00 0.00 C ATOM 489 CG LEU A 33 0.753 9.004 -5.842 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.656 8.203 -4.525 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.528 9.840 -6.091 1.00 0.00 C ATOM 0 H LEU A 33 2.453 8.962 -8.152 1.00 0.00 H new ATOM 0 HA LEU A 33 1.380 11.441 -7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.901 9.252 -5.745 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.002 10.549 -4.982 1.00 0.00 H new ATOM 0 HG LEU A 33 0.837 8.290 -6.661 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.243 7.587 -4.539 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.533 7.563 -4.423 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.610 8.893 -3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.399 9.185 -6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.627 10.595 -5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.460 10.329 -7.063 1.00 0.00 H new ATOM 503 N GLY A 34 4.593 11.326 -7.651 1.00 0.00 N ATOM 504 CA GLY A 34 5.852 12.080 -7.594 1.00 0.00 C ATOM 505 C GLY A 34 6.562 11.995 -6.242 1.00 0.00 C ATOM 506 O GLY A 34 7.140 12.979 -5.772 1.00 0.00 O ATOM 0 H GLY A 34 4.621 10.522 -8.277 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.522 11.709 -8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.649 13.126 -7.822 1.00 0.00 H new ATOM 510 N ILE A 35 6.503 10.815 -5.612 1.00 0.00 N ATOM 511 CA ILE A 35 7.183 10.541 -4.333 1.00 0.00 C ATOM 512 C ILE A 35 8.547 9.924 -4.640 1.00 0.00 C ATOM 513 O ILE A 35 8.609 8.825 -5.202 1.00 0.00 O ATOM 514 CB ILE A 35 6.335 9.567 -3.436 1.00 0.00 C ATOM 515 CG1 ILE A 35 4.914 10.170 -3.173 1.00 0.00 C ATOM 516 CG2 ILE A 35 7.064 9.232 -2.109 1.00 0.00 C ATOM 517 CD1 ILE A 35 3.931 9.214 -2.519 1.00 0.00 C ATOM 0 H ILE A 35 5.980 10.017 -5.974 1.00 0.00 H new ATOM 0 HA ILE A 35 7.303 11.472 -3.779 1.00 0.00 H new ATOM 0 HB ILE A 35 6.214 8.628 -3.976 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.019 11.051 -2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.496 10.507 -4.121 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.448 8.557 -1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.018 8.753 -2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.239 10.150 -1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.975 9.717 -2.375 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.790 8.343 -3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.322 8.895 -1.553 1.00 0.00 H new ATOM 529 N ASP A 36 9.631 10.642 -4.295 1.00 0.00 N ATOM 530 CA ASP A 36 11.007 10.194 -4.571 1.00 0.00 C ATOM 531 C ASP A 36 11.329 8.971 -3.696 1.00 0.00 C ATOM 532 O ASP A 36 10.718 8.777 -2.637 1.00 0.00 O ATOM 533 CB ASP A 36 12.022 11.356 -4.327 1.00 0.00 C ATOM 534 CG ASP A 36 13.442 11.066 -4.860 1.00 0.00 C ATOM 535 OD1 ASP A 36 14.228 10.378 -4.172 1.00 0.00 O ATOM 536 OD2 ASP A 36 13.774 11.510 -5.977 1.00 0.00 O ATOM 0 H ASP A 36 9.578 11.543 -3.820 1.00 0.00 H new ATOM 0 HA ASP A 36 11.093 9.904 -5.618 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.644 12.262 -4.801 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.080 11.557 -3.257 1.00 0.00 H new ATOM 541 N SER A 37 12.299 8.171 -4.155 1.00 0.00 N ATOM 542 CA SER A 37 12.646 6.875 -3.555 1.00 0.00 C ATOM 543 C SER A 37 13.042 6.996 -2.061 1.00 0.00 C ATOM 544 O SER A 37 12.758 6.087 -1.274 1.00 0.00 O ATOM 545 CB SER A 37 13.783 6.235 -4.374 1.00 0.00 C ATOM 546 OG SER A 37 13.415 6.103 -5.744 1.00 0.00 O ATOM 0 H SER A 37 12.873 8.408 -4.964 1.00 0.00 H new ATOM 0 HA SER A 37 11.761 6.239 -3.583 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.682 6.845 -4.293 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.025 5.255 -3.963 1.00 0.00 H new ATOM 0 HG SER A 37 14.154 5.696 -6.243 1.00 0.00 H new ATOM 552 N LEU A 38 13.649 8.144 -1.673 1.00 0.00 N ATOM 553 CA LEU A 38 14.091 8.387 -0.280 1.00 0.00 C ATOM 554 C LEU A 38 12.889 8.688 0.645 1.00 0.00 C ATOM 555 O LEU A 38 12.911 8.345 1.836 1.00 0.00 O ATOM 556 CB LEU A 38 15.189 9.506 -0.241 1.00 0.00 C ATOM 557 CG LEU A 38 14.853 10.911 -0.885 1.00 0.00 C ATOM 558 CD1 LEU A 38 14.087 11.846 0.075 1.00 0.00 C ATOM 559 CD2 LEU A 38 16.129 11.602 -1.423 1.00 0.00 C ATOM 0 H LEU A 38 13.844 8.918 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 38 14.550 7.477 0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 38 15.455 9.674 0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 38 16.078 9.117 -0.738 1.00 0.00 H new ATOM 0 HG LEU A 38 14.187 10.709 -1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 38 13.886 12.794 -0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.145 11.380 0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.689 12.026 0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.865 12.565 -1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 38 16.832 11.755 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.590 10.973 -2.185 1.00 0.00 H new ATOM 571 N ASP A 39 11.847 9.322 0.077 1.00 0.00 N ATOM 572 CA ASP A 39 10.582 9.603 0.791 1.00 0.00 C ATOM 573 C ASP A 39 9.760 8.322 0.922 1.00 0.00 C ATOM 574 O ASP A 39 9.033 8.136 1.904 1.00 0.00 O ATOM 575 CB ASP A 39 9.740 10.666 0.044 1.00 0.00 C ATOM 576 CG ASP A 39 10.502 11.973 -0.201 1.00 0.00 C ATOM 577 OD1 ASP A 39 10.682 12.763 0.746 1.00 0.00 O ATOM 578 OD2 ASP A 39 10.937 12.213 -1.343 1.00 0.00 O ATOM 0 H ASP A 39 11.855 9.654 -0.887 1.00 0.00 H new ATOM 0 HA ASP A 39 10.837 9.987 1.779 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.415 10.257 -0.913 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.840 10.880 0.621 1.00 0.00 H new ATOM 583 N PHE A 40 9.882 7.445 -0.092 1.00 0.00 N ATOM 584 CA PHE A 40 9.154 6.174 -0.136 1.00 0.00 C ATOM 585 C PHE A 40 9.717 5.181 0.908 1.00 0.00 C ATOM 586 O PHE A 40 8.983 4.321 1.385 1.00 0.00 O ATOM 587 CB PHE A 40 9.179 5.561 -1.563 1.00 0.00 C ATOM 588 CG PHE A 40 8.137 4.461 -1.748 1.00 0.00 C ATOM 589 CD1 PHE A 40 6.807 4.790 -2.004 1.00 0.00 C ATOM 590 CD2 PHE A 40 8.467 3.111 -1.615 1.00 0.00 C ATOM 591 CE1 PHE A 40 5.847 3.810 -2.130 1.00 0.00 C ATOM 592 CE2 PHE A 40 7.498 2.135 -1.750 1.00 0.00 C ATOM 593 CZ PHE A 40 6.193 2.483 -2.000 1.00 0.00 C ATOM 0 H PHE A 40 10.487 7.601 -0.898 1.00 0.00 H new ATOM 0 HA PHE A 40 8.113 6.375 0.118 1.00 0.00 H new ATOM 0 HB2 PHE A 40 9.004 6.349 -2.296 1.00 0.00 H new ATOM 0 HB3 PHE A 40 10.170 5.154 -1.762 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.525 5.828 -2.105 1.00 0.00 H new ATOM 0 HD2 PHE A 40 9.488 2.827 -1.405 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.821 4.083 -2.331 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.768 1.093 -1.658 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.438 1.716 -2.095 1.00 0.00 H new ATOM 603 N LEU A 41 11.023 5.306 1.243 1.00 0.00 N ATOM 604 CA LEU A 41 11.649 4.529 2.348 1.00 0.00 C ATOM 605 C LEU A 41 10.926 4.815 3.684 1.00 0.00 C ATOM 606 O LEU A 41 10.651 3.898 4.466 1.00 0.00 O ATOM 607 CB LEU A 41 13.159 4.875 2.474 1.00 0.00 C ATOM 608 CG LEU A 41 14.075 4.473 1.274 1.00 0.00 C ATOM 609 CD1 LEU A 41 15.528 4.956 1.493 1.00 0.00 C ATOM 610 CD2 LEU A 41 14.026 2.950 1.022 1.00 0.00 C ATOM 0 H LEU A 41 11.667 5.937 0.766 1.00 0.00 H new ATOM 0 HA LEU A 41 11.554 3.468 2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.250 5.951 2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 41 13.544 4.393 3.372 1.00 0.00 H new ATOM 0 HG LEU A 41 13.691 4.970 0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 41 16.142 4.662 0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 41 15.540 6.042 1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.928 4.506 2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.673 2.699 0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 41 14.368 2.423 1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 41 13.003 2.652 0.794 1.00 0.00 H new ATOM 622 N ASP A 42 10.604 6.106 3.895 1.00 0.00 N ATOM 623 CA ASP A 42 9.886 6.588 5.093 1.00 0.00 C ATOM 624 C ASP A 42 8.441 6.055 5.126 1.00 0.00 C ATOM 625 O ASP A 42 7.960 5.606 6.177 1.00 0.00 O ATOM 626 CB ASP A 42 9.898 8.143 5.126 1.00 0.00 C ATOM 627 CG ASP A 42 9.149 8.746 6.332 1.00 0.00 C ATOM 628 OD1 ASP A 42 9.593 8.546 7.482 1.00 0.00 O ATOM 629 OD2 ASP A 42 8.114 9.419 6.133 1.00 0.00 O ATOM 0 H ASP A 42 10.836 6.849 3.236 1.00 0.00 H new ATOM 0 HA ASP A 42 10.398 6.211 5.978 1.00 0.00 H new ATOM 0 HB2 ASP A 42 10.932 8.489 5.142 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.450 8.520 4.207 1.00 0.00 H new ATOM 634 N ILE A 43 7.759 6.107 3.964 1.00 0.00 N ATOM 635 CA ILE A 43 6.363 5.636 3.831 1.00 0.00 C ATOM 636 C ILE A 43 6.275 4.117 4.057 1.00 0.00 C ATOM 637 O ILE A 43 5.438 3.651 4.824 1.00 0.00 O ATOM 638 CB ILE A 43 5.742 6.006 2.430 1.00 0.00 C ATOM 639 CG1 ILE A 43 5.718 7.557 2.236 1.00 0.00 C ATOM 640 CG2 ILE A 43 4.322 5.396 2.261 1.00 0.00 C ATOM 641 CD1 ILE A 43 5.109 8.027 0.924 1.00 0.00 C ATOM 0 H ILE A 43 8.155 6.473 3.098 1.00 0.00 H new ATOM 0 HA ILE A 43 5.783 6.148 4.599 1.00 0.00 H new ATOM 0 HB ILE A 43 6.374 5.574 1.654 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.160 8.003 3.059 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.739 7.933 2.302 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.922 5.670 1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.381 4.310 2.337 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.666 5.780 3.042 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.136 9.116 0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.678 7.616 0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.075 7.687 0.860 1.00 0.00 H new ATOM 653 N ALA A 44 7.190 3.371 3.423 1.00 0.00 N ATOM 654 CA ALA A 44 7.161 1.900 3.410 1.00 0.00 C ATOM 655 C ALA A 44 7.494 1.341 4.804 1.00 0.00 C ATOM 656 O ALA A 44 6.917 0.348 5.241 1.00 0.00 O ATOM 657 CB ALA A 44 8.139 1.350 2.350 1.00 0.00 C ATOM 0 H ALA A 44 7.972 3.770 2.904 1.00 0.00 H new ATOM 0 HA ALA A 44 6.154 1.576 3.146 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.105 0.261 2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.853 1.718 1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.151 1.682 2.582 1.00 0.00 H new ATOM 663 N PHE A 45 8.435 2.002 5.504 1.00 0.00 N ATOM 664 CA PHE A 45 8.823 1.618 6.869 1.00 0.00 C ATOM 665 C PHE A 45 7.735 1.998 7.903 1.00 0.00 C ATOM 666 O PHE A 45 7.639 1.366 8.960 1.00 0.00 O ATOM 667 CB PHE A 45 10.201 2.225 7.235 1.00 0.00 C ATOM 668 CG PHE A 45 10.897 1.493 8.383 1.00 0.00 C ATOM 669 CD1 PHE A 45 11.300 0.165 8.222 1.00 0.00 C ATOM 670 CD2 PHE A 45 11.130 2.105 9.613 1.00 0.00 C ATOM 671 CE1 PHE A 45 11.912 -0.522 9.246 1.00 0.00 C ATOM 672 CE2 PHE A 45 11.750 1.415 10.638 1.00 0.00 C ATOM 673 CZ PHE A 45 12.136 0.102 10.455 1.00 0.00 C ATOM 0 H PHE A 45 8.942 2.809 5.141 1.00 0.00 H new ATOM 0 HA PHE A 45 8.916 0.532 6.899 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.845 2.204 6.356 1.00 0.00 H new ATOM 0 HB3 PHE A 45 10.069 3.272 7.508 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.128 -0.331 7.278 1.00 0.00 H new ATOM 0 HD2 PHE A 45 10.823 3.129 9.767 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.216 -1.548 9.103 1.00 0.00 H new ATOM 0 HE2 PHE A 45 11.933 1.904 11.584 1.00 0.00 H new ATOM 0 HZ PHE A 45 12.614 -0.437 11.260 1.00 0.00 H new ATOM 683 N ALA A 46 6.914 3.014 7.585 1.00 0.00 N ATOM 684 CA ALA A 46 5.739 3.372 8.406 1.00 0.00 C ATOM 685 C ALA A 46 4.646 2.295 8.274 1.00 0.00 C ATOM 686 O ALA A 46 4.017 1.915 9.261 1.00 0.00 O ATOM 687 CB ALA A 46 5.194 4.746 8.005 1.00 0.00 C ATOM 0 H ALA A 46 7.041 3.605 6.763 1.00 0.00 H new ATOM 0 HA ALA A 46 6.051 3.423 9.449 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.329 4.989 8.623 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.967 5.501 8.150 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.897 4.728 6.956 1.00 0.00 H new ATOM 693 N ILE A 47 4.455 1.810 7.035 1.00 0.00 N ATOM 694 CA ILE A 47 3.537 0.695 6.712 1.00 0.00 C ATOM 695 C ILE A 47 3.987 -0.595 7.437 1.00 0.00 C ATOM 696 O ILE A 47 3.172 -1.328 8.007 1.00 0.00 O ATOM 697 CB ILE A 47 3.514 0.437 5.159 1.00 0.00 C ATOM 698 CG1 ILE A 47 2.987 1.681 4.374 1.00 0.00 C ATOM 699 CG2 ILE A 47 2.697 -0.821 4.813 1.00 0.00 C ATOM 700 CD1 ILE A 47 3.132 1.600 2.859 1.00 0.00 C ATOM 0 H ILE A 47 4.938 2.183 6.218 1.00 0.00 H new ATOM 0 HA ILE A 47 2.536 0.968 7.046 1.00 0.00 H new ATOM 0 HB ILE A 47 4.544 0.265 4.846 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.934 1.824 4.615 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.517 2.565 4.727 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.700 -0.972 3.733 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.140 -1.689 5.302 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.671 -0.695 5.158 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.738 2.510 2.407 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.185 1.493 2.600 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.577 0.739 2.486 1.00 0.00 H new ATOM 712 N ASP A 48 5.306 -0.828 7.375 1.00 0.00 N ATOM 713 CA ASP A 48 6.005 -1.973 7.994 1.00 0.00 C ATOM 714 C ASP A 48 5.629 -2.098 9.489 1.00 0.00 C ATOM 715 O ASP A 48 5.276 -3.176 9.973 1.00 0.00 O ATOM 716 CB ASP A 48 7.522 -1.726 7.806 1.00 0.00 C ATOM 717 CG ASP A 48 8.454 -2.832 8.312 1.00 0.00 C ATOM 718 OD1 ASP A 48 8.767 -2.856 9.521 1.00 0.00 O ATOM 719 OD2 ASP A 48 8.934 -3.642 7.487 1.00 0.00 O ATOM 0 H ASP A 48 5.941 -0.205 6.876 1.00 0.00 H new ATOM 0 HA ASP A 48 5.715 -2.913 7.525 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.716 -1.574 6.744 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.784 -0.798 8.314 1.00 0.00 H new ATOM 724 N LYS A 49 5.699 -0.950 10.193 1.00 0.00 N ATOM 725 CA LYS A 49 5.293 -0.840 11.611 1.00 0.00 C ATOM 726 C LYS A 49 3.774 -1.059 11.775 1.00 0.00 C ATOM 727 O LYS A 49 3.343 -1.870 12.607 1.00 0.00 O ATOM 728 CB LYS A 49 5.692 0.545 12.196 1.00 0.00 C ATOM 729 CG LYS A 49 7.211 0.825 12.207 1.00 0.00 C ATOM 730 CD LYS A 49 7.568 2.178 12.868 1.00 0.00 C ATOM 731 CE LYS A 49 9.086 2.462 12.861 1.00 0.00 C ATOM 732 NZ LYS A 49 9.425 3.768 13.482 1.00 0.00 N ATOM 0 H LYS A 49 6.038 -0.074 9.796 1.00 0.00 H new ATOM 0 HA LYS A 49 5.818 -1.620 12.162 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.196 1.325 11.618 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.315 0.616 13.216 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.720 0.021 12.739 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.585 0.817 11.183 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.050 2.981 12.345 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.206 2.182 13.896 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.604 1.665 13.395 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.450 2.447 11.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.455 3.910 13.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.955 4.534 12.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.103 3.776 14.471 1.00 0.00 H new ATOM 746 N ALA A 50 2.988 -0.333 10.955 1.00 0.00 N ATOM 747 CA ALA A 50 1.509 -0.267 11.066 1.00 0.00 C ATOM 748 C ALA A 50 0.832 -1.654 11.023 1.00 0.00 C ATOM 749 O ALA A 50 0.016 -1.987 11.889 1.00 0.00 O ATOM 750 CB ALA A 50 0.939 0.614 9.939 1.00 0.00 C ATOM 0 H ALA A 50 3.360 0.230 10.190 1.00 0.00 H new ATOM 0 HA ALA A 50 1.290 0.166 12.042 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.147 0.659 10.026 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.351 1.620 10.020 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.209 0.188 8.973 1.00 0.00 H new ATOM 756 N PHE A 51 1.179 -2.443 10.000 1.00 0.00 N ATOM 757 CA PHE A 51 0.580 -3.768 9.754 1.00 0.00 C ATOM 758 C PHE A 51 1.354 -4.889 10.484 1.00 0.00 C ATOM 759 O PHE A 51 0.899 -6.042 10.508 1.00 0.00 O ATOM 760 CB PHE A 51 0.509 -4.027 8.227 1.00 0.00 C ATOM 761 CG PHE A 51 -0.415 -3.054 7.475 1.00 0.00 C ATOM 762 CD1 PHE A 51 0.049 -1.815 7.027 1.00 0.00 C ATOM 763 CD2 PHE A 51 -1.750 -3.382 7.219 1.00 0.00 C ATOM 764 CE1 PHE A 51 -0.787 -0.944 6.349 1.00 0.00 C ATOM 765 CE2 PHE A 51 -2.582 -2.508 6.540 1.00 0.00 C ATOM 766 CZ PHE A 51 -2.098 -1.292 6.104 1.00 0.00 C ATOM 0 H PHE A 51 1.887 -2.183 9.313 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.432 -3.775 10.160 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.513 -3.956 7.809 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.164 -5.047 8.056 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.075 -1.532 7.212 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.138 -4.332 7.556 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.411 0.010 6.011 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.610 -2.778 6.352 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.746 -0.613 5.571 1.00 0.00 H new ATOM 776 N GLY A 52 2.503 -4.534 11.102 1.00 0.00 N ATOM 777 CA GLY A 52 3.336 -5.495 11.843 1.00 0.00 C ATOM 778 C GLY A 52 3.951 -6.557 10.936 1.00 0.00 C ATOM 779 O GLY A 52 4.034 -7.739 11.297 1.00 0.00 O ATOM 0 H GLY A 52 2.872 -3.583 11.099 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.132 -4.958 12.360 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.731 -5.981 12.608 1.00 0.00 H new ATOM 783 N ILE A 53 4.386 -6.111 9.752 1.00 0.00 N ATOM 784 CA ILE A 53 4.927 -6.973 8.684 1.00 0.00 C ATOM 785 C ILE A 53 6.342 -6.515 8.326 1.00 0.00 C ATOM 786 O ILE A 53 6.775 -5.458 8.776 1.00 0.00 O ATOM 787 CB ILE A 53 4.029 -6.902 7.395 1.00 0.00 C ATOM 788 CG1 ILE A 53 3.929 -5.435 6.859 1.00 0.00 C ATOM 789 CG2 ILE A 53 2.623 -7.482 7.663 1.00 0.00 C ATOM 790 CD1 ILE A 53 3.189 -5.299 5.553 1.00 0.00 C ATOM 0 H ILE A 53 4.373 -5.123 9.500 1.00 0.00 H new ATOM 0 HA ILE A 53 4.941 -8.000 9.049 1.00 0.00 H new ATOM 0 HB ILE A 53 4.505 -7.512 6.627 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.433 -4.820 7.610 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.936 -5.037 6.735 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.024 -7.420 6.754 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.712 -8.525 7.968 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.139 -6.912 8.456 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.167 -4.251 5.255 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.695 -5.884 4.785 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.169 -5.664 5.673 1.00 0.00 H new ATOM 802 N LYS A 54 7.065 -7.316 7.525 1.00 0.00 N ATOM 803 CA LYS A 54 8.339 -6.887 6.924 1.00 0.00 C ATOM 804 C LYS A 54 8.123 -6.645 5.426 1.00 0.00 C ATOM 805 O LYS A 54 7.657 -7.536 4.708 1.00 0.00 O ATOM 806 CB LYS A 54 9.487 -7.918 7.175 1.00 0.00 C ATOM 807 CG LYS A 54 9.314 -9.306 6.519 1.00 0.00 C ATOM 808 CD LYS A 54 10.569 -10.192 6.661 1.00 0.00 C ATOM 809 CE LYS A 54 10.439 -11.530 5.914 1.00 0.00 C ATOM 810 NZ LYS A 54 11.643 -12.369 6.086 1.00 0.00 N ATOM 0 H LYS A 54 6.788 -8.266 7.278 1.00 0.00 H new ATOM 0 HA LYS A 54 8.657 -5.960 7.402 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.421 -7.484 6.817 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.592 -8.058 8.251 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.463 -9.814 6.972 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.083 -9.177 5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.435 -9.651 6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.753 -10.387 7.717 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.565 -12.068 6.280 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.276 -11.341 4.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.520 -13.263 5.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.473 -11.865 5.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.784 -12.570 7.096 1.00 0.00 H new ATOM 824 N LEU A 55 8.389 -5.415 4.966 1.00 0.00 N ATOM 825 CA LEU A 55 8.413 -5.100 3.530 1.00 0.00 C ATOM 826 C LEU A 55 9.840 -5.311 2.996 1.00 0.00 C ATOM 827 O LEU A 55 10.762 -4.600 3.428 1.00 0.00 O ATOM 828 CB LEU A 55 7.928 -3.647 3.253 1.00 0.00 C ATOM 829 CG LEU A 55 6.431 -3.331 3.601 1.00 0.00 C ATOM 830 CD1 LEU A 55 6.030 -1.902 3.166 1.00 0.00 C ATOM 831 CD2 LEU A 55 5.473 -4.380 2.987 1.00 0.00 C ATOM 0 H LEU A 55 8.591 -4.618 5.570 1.00 0.00 H new ATOM 0 HA LEU A 55 7.725 -5.768 3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.561 -2.962 3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.086 -3.430 2.197 1.00 0.00 H new ATOM 0 HG LEU A 55 6.340 -3.385 4.686 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.986 -1.722 3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.661 -1.175 3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.160 -1.800 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.445 -4.130 3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.582 -4.382 1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.717 -5.368 3.378 1.00 0.00 H new ATOM 843 N PRO A 56 10.067 -6.325 2.087 1.00 0.00 N ATOM 844 CA PRO A 56 11.356 -6.505 1.363 1.00 0.00 C ATOM 845 C PRO A 56 11.532 -5.441 0.259 1.00 0.00 C ATOM 846 O PRO A 56 11.771 -5.775 -0.897 1.00 0.00 O ATOM 847 CB PRO A 56 11.248 -7.956 0.778 1.00 0.00 C ATOM 848 CG PRO A 56 10.049 -8.560 1.451 1.00 0.00 C ATOM 849 CD PRO A 56 9.118 -7.409 1.729 1.00 0.00 C ATOM 0 HA PRO A 56 12.229 -6.383 2.004 1.00 0.00 H new ATOM 0 HB2 PRO A 56 11.124 -7.936 -0.305 1.00 0.00 H new ATOM 0 HB3 PRO A 56 12.149 -8.533 0.986 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.573 -9.303 0.811 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.331 -9.067 2.373 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.515 -7.152 0.858 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.426 -7.631 2.542 1.00 0.00 H new ATOM 857 N LEU A 57 11.477 -4.158 0.667 1.00 0.00 N ATOM 858 CA LEU A 57 11.472 -2.994 -0.246 1.00 0.00 C ATOM 859 C LEU A 57 12.782 -2.945 -1.055 1.00 0.00 C ATOM 860 O LEU A 57 12.766 -2.629 -2.255 1.00 0.00 O ATOM 861 CB LEU A 57 11.244 -1.684 0.591 1.00 0.00 C ATOM 862 CG LEU A 57 10.824 -0.369 -0.168 1.00 0.00 C ATOM 863 CD1 LEU A 57 11.998 0.324 -0.892 1.00 0.00 C ATOM 864 CD2 LEU A 57 9.665 -0.652 -1.135 1.00 0.00 C ATOM 0 H LEU A 57 11.434 -3.896 1.652 1.00 0.00 H new ATOM 0 HA LEU A 57 10.657 -3.085 -0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.477 -1.896 1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.165 -1.473 1.134 1.00 0.00 H new ATOM 0 HG LEU A 57 10.488 0.335 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.637 1.222 -1.393 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.763 0.597 -0.166 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.424 -0.357 -1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.388 0.268 -1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.975 -1.398 -1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.808 -1.026 -0.576 1.00 0.00 H new ATOM 876 N GLU A 58 13.899 -3.285 -0.379 1.00 0.00 N ATOM 877 CA GLU A 58 15.230 -3.375 -1.001 1.00 0.00 C ATOM 878 C GLU A 58 15.234 -4.404 -2.152 1.00 0.00 C ATOM 879 O GLU A 58 15.711 -4.104 -3.245 1.00 0.00 O ATOM 880 CB GLU A 58 16.318 -3.741 0.051 1.00 0.00 C ATOM 881 CG GLU A 58 16.065 -5.050 0.833 1.00 0.00 C ATOM 882 CD GLU A 58 17.267 -5.500 1.671 1.00 0.00 C ATOM 883 OE1 GLU A 58 18.157 -6.182 1.119 1.00 0.00 O ATOM 884 OE2 GLU A 58 17.330 -5.169 2.875 1.00 0.00 O ATOM 0 H GLU A 58 13.900 -3.505 0.617 1.00 0.00 H new ATOM 0 HA GLU A 58 15.467 -2.394 -1.413 1.00 0.00 H new ATOM 0 HB2 GLU A 58 17.279 -3.820 -0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.401 -2.921 0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.205 -4.912 1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.806 -5.841 0.129 1.00 0.00 H new ATOM 891 N LYS A 59 14.638 -5.586 -1.897 1.00 0.00 N ATOM 892 CA LYS A 59 14.570 -6.693 -2.862 1.00 0.00 C ATOM 893 C LYS A 59 13.752 -6.269 -4.082 1.00 0.00 C ATOM 894 O LYS A 59 14.208 -6.415 -5.208 1.00 0.00 O ATOM 895 CB LYS A 59 13.945 -7.951 -2.198 1.00 0.00 C ATOM 896 CG LYS A 59 13.699 -9.147 -3.150 1.00 0.00 C ATOM 897 CD LYS A 59 14.986 -9.729 -3.783 1.00 0.00 C ATOM 898 CE LYS A 59 15.961 -10.293 -2.739 1.00 0.00 C ATOM 899 NZ LYS A 59 15.341 -11.367 -1.914 1.00 0.00 N ATOM 0 H LYS A 59 14.187 -5.797 -1.007 1.00 0.00 H new ATOM 0 HA LYS A 59 15.580 -6.943 -3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.600 -8.279 -1.391 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.996 -7.668 -1.743 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.189 -9.937 -2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.027 -8.830 -3.947 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.715 -10.518 -4.484 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.487 -8.950 -4.358 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.843 -10.688 -3.244 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.300 -9.487 -2.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.069 -11.811 -1.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.601 -10.957 -1.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.920 -12.085 -2.538 1.00 0.00 H new ATOM 913 N TRP A 60 12.569 -5.681 -3.810 1.00 0.00 N ATOM 914 CA TRP A 60 11.633 -5.180 -4.840 1.00 0.00 C ATOM 915 C TRP A 60 12.346 -4.214 -5.800 1.00 0.00 C ATOM 916 O TRP A 60 12.201 -4.318 -7.017 1.00 0.00 O ATOM 917 CB TRP A 60 10.427 -4.470 -4.178 1.00 0.00 C ATOM 918 CG TRP A 60 9.587 -5.329 -3.252 1.00 0.00 C ATOM 919 CD1 TRP A 60 9.649 -6.688 -3.060 1.00 0.00 C ATOM 920 CD2 TRP A 60 8.534 -4.863 -2.402 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.726 -7.069 -2.121 1.00 0.00 N ATOM 922 CE2 TRP A 60 8.030 -5.971 -1.708 1.00 0.00 C ATOM 923 CE3 TRP A 60 7.994 -3.603 -2.150 1.00 0.00 C ATOM 924 CZ2 TRP A 60 6.998 -5.861 -0.788 1.00 0.00 C ATOM 925 CZ3 TRP A 60 6.963 -3.494 -1.243 1.00 0.00 C ATOM 926 CH2 TRP A 60 6.484 -4.616 -0.562 1.00 0.00 C ATOM 0 H TRP A 60 12.232 -5.539 -2.858 1.00 0.00 H new ATOM 0 HA TRP A 60 11.270 -6.035 -5.411 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.797 -3.614 -3.614 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.782 -4.078 -4.965 1.00 0.00 H new ATOM 0 HD1 TRP A 60 10.325 -7.357 -3.573 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.583 -8.021 -1.785 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.377 -2.729 -2.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 6.615 -6.728 -0.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 6.519 -2.528 -1.056 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.689 -4.496 0.159 1.00 0.00 H new ATOM 937 N THR A 61 13.142 -3.310 -5.209 1.00 0.00 N ATOM 938 CA THR A 61 13.929 -2.318 -5.944 1.00 0.00 C ATOM 939 C THR A 61 15.002 -3.001 -6.823 1.00 0.00 C ATOM 940 O THR A 61 15.121 -2.677 -8.007 1.00 0.00 O ATOM 941 CB THR A 61 14.596 -1.307 -4.954 1.00 0.00 C ATOM 942 OG1 THR A 61 13.585 -0.676 -4.144 1.00 0.00 O ATOM 943 CG2 THR A 61 15.418 -0.218 -5.673 1.00 0.00 C ATOM 0 H THR A 61 13.256 -3.250 -4.197 1.00 0.00 H new ATOM 0 HA THR A 61 13.253 -1.770 -6.600 1.00 0.00 H new ATOM 0 HB THR A 61 15.283 -1.882 -4.334 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.274 -1.305 -3.460 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.856 0.454 -4.935 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.212 -0.686 -6.255 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.767 0.349 -6.338 1.00 0.00 H new ATOM 951 N GLN A 62 15.731 -3.989 -6.256 1.00 0.00 N ATOM 952 CA GLN A 62 16.874 -4.633 -6.944 1.00 0.00 C ATOM 953 C GLN A 62 16.391 -5.478 -8.136 1.00 0.00 C ATOM 954 O GLN A 62 17.053 -5.521 -9.174 1.00 0.00 O ATOM 955 CB GLN A 62 17.710 -5.511 -5.966 1.00 0.00 C ATOM 956 CG GLN A 62 18.374 -4.747 -4.803 1.00 0.00 C ATOM 957 CD GLN A 62 19.284 -3.601 -5.257 1.00 0.00 C ATOM 958 OE1 GLN A 62 18.834 -2.464 -5.425 1.00 0.00 O ATOM 959 NE2 GLN A 62 20.562 -3.885 -5.482 1.00 0.00 N ATOM 0 H GLN A 62 15.548 -4.358 -5.323 1.00 0.00 H new ATOM 0 HA GLN A 62 17.518 -3.837 -7.317 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.061 -6.282 -5.550 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.487 -6.021 -6.535 1.00 0.00 H new ATOM 0 HG2 GLN A 62 17.596 -4.346 -4.153 1.00 0.00 H new ATOM 0 HG3 GLN A 62 18.958 -5.448 -4.206 1.00 0.00 H new ATOM 0 HE21 GLN A 62 20.907 -4.833 -5.335 1.00 0.00 H new ATOM 0 HE22 GLN A 62 21.198 -3.155 -5.802 1.00 0.00 H new ATOM 968 N GLU A 63 15.229 -6.145 -7.956 1.00 0.00 N ATOM 969 CA GLU A 63 14.534 -6.903 -9.018 1.00 0.00 C ATOM 970 C GLU A 63 14.217 -5.989 -10.205 1.00 0.00 C ATOM 971 O GLU A 63 14.500 -6.333 -11.349 1.00 0.00 O ATOM 972 CB GLU A 63 13.220 -7.520 -8.472 1.00 0.00 C ATOM 973 CG GLU A 63 13.419 -8.561 -7.363 1.00 0.00 C ATOM 974 CD GLU A 63 12.086 -9.060 -6.788 1.00 0.00 C ATOM 975 OE1 GLU A 63 11.511 -8.388 -5.912 1.00 0.00 O ATOM 976 OE2 GLU A 63 11.589 -10.116 -7.235 1.00 0.00 O ATOM 0 H GLU A 63 14.743 -6.172 -7.060 1.00 0.00 H new ATOM 0 HA GLU A 63 15.192 -7.705 -9.351 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.588 -6.718 -8.091 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.682 -7.985 -9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.981 -9.407 -7.758 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.018 -8.126 -6.563 1.00 0.00 H new ATOM 983 N VAL A 64 13.647 -4.813 -9.902 1.00 0.00 N ATOM 984 CA VAL A 64 13.308 -3.808 -10.919 1.00 0.00 C ATOM 985 C VAL A 64 14.567 -3.356 -11.707 1.00 0.00 C ATOM 986 O VAL A 64 14.548 -3.340 -12.944 1.00 0.00 O ATOM 987 CB VAL A 64 12.571 -2.573 -10.291 1.00 0.00 C ATOM 988 CG1 VAL A 64 12.385 -1.439 -11.327 1.00 0.00 C ATOM 989 CG2 VAL A 64 11.201 -2.989 -9.689 1.00 0.00 C ATOM 0 H VAL A 64 13.409 -4.534 -8.950 1.00 0.00 H new ATOM 0 HA VAL A 64 12.621 -4.281 -11.621 1.00 0.00 H new ATOM 0 HB VAL A 64 13.200 -2.193 -9.486 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.871 -0.599 -10.859 1.00 0.00 H new ATOM 0 HG12 VAL A 64 13.360 -1.112 -11.688 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.792 -1.805 -12.165 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.711 -2.115 -9.260 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.572 -3.409 -10.473 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.357 -3.735 -8.910 1.00 0.00 H new ATOM 999 N ASN A 65 15.665 -3.052 -10.979 1.00 0.00 N ATOM 1000 CA ASN A 65 16.959 -2.659 -11.595 1.00 0.00 C ATOM 1001 C ASN A 65 17.524 -3.780 -12.489 1.00 0.00 C ATOM 1002 O ASN A 65 18.099 -3.508 -13.551 1.00 0.00 O ATOM 1003 CB ASN A 65 18.030 -2.287 -10.526 1.00 0.00 C ATOM 1004 CG ASN A 65 17.742 -0.985 -9.777 1.00 0.00 C ATOM 1005 OD1 ASN A 65 18.005 0.102 -10.286 1.00 0.00 O ATOM 1006 ND2 ASN A 65 17.261 -1.078 -8.549 1.00 0.00 N ATOM 0 H ASN A 65 15.683 -3.071 -9.959 1.00 0.00 H new ATOM 0 HA ASN A 65 16.745 -1.780 -12.203 1.00 0.00 H new ATOM 0 HB2 ASN A 65 18.104 -3.100 -9.804 1.00 0.00 H new ATOM 0 HB3 ASN A 65 19.001 -2.205 -11.014 1.00 0.00 H new ATOM 0 HD21 ASN A 65 17.099 -0.234 -7.999 1.00 0.00 H new ATOM 0 HD22 ASN A 65 17.051 -1.994 -8.151 1.00 0.00 H new ATOM 1013 N ASP A 66 17.340 -5.039 -12.060 1.00 0.00 N ATOM 1014 CA ASP A 66 17.920 -6.229 -12.721 1.00 0.00 C ATOM 1015 C ASP A 66 16.994 -6.789 -13.833 1.00 0.00 C ATOM 1016 O ASP A 66 17.281 -7.840 -14.428 1.00 0.00 O ATOM 1017 CB ASP A 66 18.178 -7.287 -11.613 1.00 0.00 C ATOM 1018 CG ASP A 66 19.017 -8.500 -12.050 1.00 0.00 C ATOM 1019 OD1 ASP A 66 20.187 -8.308 -12.448 1.00 0.00 O ATOM 1020 OD2 ASP A 66 18.525 -9.643 -11.981 1.00 0.00 O ATOM 0 H ASP A 66 16.780 -5.266 -11.238 1.00 0.00 H new ATOM 0 HA ASP A 66 18.850 -5.960 -13.222 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.680 -6.800 -10.777 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.217 -7.644 -11.243 1.00 0.00 H new ATOM 1025 N GLY A 67 15.892 -6.062 -14.122 1.00 0.00 N ATOM 1026 CA GLY A 67 14.931 -6.456 -15.163 1.00 0.00 C ATOM 1027 C GLY A 67 14.120 -7.715 -14.837 1.00 0.00 C ATOM 1028 O GLY A 67 13.600 -8.378 -15.743 1.00 0.00 O ATOM 0 H GLY A 67 15.650 -5.195 -13.643 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.241 -5.629 -15.334 1.00 0.00 H new ATOM 0 HA3 GLY A 67 15.471 -6.619 -16.095 1.00 0.00 H new ATOM 1032 N LYS A 68 14.035 -8.061 -13.541 1.00 0.00 N ATOM 1033 CA LYS A 68 13.149 -9.144 -13.042 1.00 0.00 C ATOM 1034 C LYS A 68 11.697 -8.641 -12.946 1.00 0.00 C ATOM 1035 O LYS A 68 10.748 -9.436 -12.956 1.00 0.00 O ATOM 1036 CB LYS A 68 13.623 -9.664 -11.657 1.00 0.00 C ATOM 1037 CG LYS A 68 15.030 -10.305 -11.645 1.00 0.00 C ATOM 1038 CD LYS A 68 15.132 -11.562 -12.544 1.00 0.00 C ATOM 1039 CE LYS A 68 16.489 -12.280 -12.425 1.00 0.00 C ATOM 1040 NZ LYS A 68 16.558 -13.467 -13.307 1.00 0.00 N ATOM 0 H LYS A 68 14.574 -7.603 -12.806 1.00 0.00 H new ATOM 0 HA LYS A 68 13.197 -9.971 -13.751 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.613 -8.833 -10.951 1.00 0.00 H new ATOM 0 HB3 LYS A 68 12.903 -10.398 -11.296 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.761 -9.568 -11.977 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.291 -10.575 -10.622 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.335 -12.257 -12.279 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.970 -11.273 -13.582 1.00 0.00 H new ATOM 0 HE2 LYS A 68 17.291 -11.588 -12.682 1.00 0.00 H new ATOM 0 HE3 LYS A 68 16.650 -12.585 -11.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.486 -13.925 -13.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.808 -14.138 -13.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.429 -13.173 -14.296 1.00 0.00 H new ATOM 1054 N ALA A 69 11.554 -7.311 -12.830 1.00 0.00 N ATOM 1055 CA ALA A 69 10.259 -6.619 -12.813 1.00 0.00 C ATOM 1056 C ALA A 69 10.444 -5.155 -13.267 1.00 0.00 C ATOM 1057 O ALA A 69 11.568 -4.702 -13.507 1.00 0.00 O ATOM 1058 CB ALA A 69 9.632 -6.683 -11.402 1.00 0.00 C ATOM 0 H ALA A 69 12.349 -6.678 -12.744 1.00 0.00 H new ATOM 0 HA ALA A 69 9.579 -7.116 -13.506 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.673 -6.166 -11.406 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.481 -7.724 -11.118 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.299 -6.204 -10.685 1.00 0.00 H new ATOM 1064 N THR A 70 9.319 -4.448 -13.392 1.00 0.00 N ATOM 1065 CA THR A 70 9.267 -2.992 -13.635 1.00 0.00 C ATOM 1066 C THR A 70 8.702 -2.326 -12.364 1.00 0.00 C ATOM 1067 O THR A 70 8.021 -3.004 -11.580 1.00 0.00 O ATOM 1068 CB THR A 70 8.390 -2.668 -14.896 1.00 0.00 C ATOM 1069 OG1 THR A 70 8.831 -3.472 -15.998 1.00 0.00 O ATOM 1070 CG2 THR A 70 8.469 -1.194 -15.315 1.00 0.00 C ATOM 0 H THR A 70 8.395 -4.875 -13.327 1.00 0.00 H new ATOM 0 HA THR A 70 10.264 -2.603 -13.843 1.00 0.00 H new ATOM 0 HB THR A 70 7.356 -2.886 -14.627 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.285 -3.274 -16.787 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.842 -1.031 -16.192 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.120 -0.564 -14.497 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.501 -0.939 -15.554 1.00 0.00 H new ATOM 1078 N THR A 71 8.999 -1.021 -12.149 1.00 0.00 N ATOM 1079 CA THR A 71 8.600 -0.291 -10.925 1.00 0.00 C ATOM 1080 C THR A 71 7.094 -0.434 -10.602 1.00 0.00 C ATOM 1081 O THR A 71 6.752 -0.635 -9.449 1.00 0.00 O ATOM 1082 CB THR A 71 8.977 1.230 -10.990 1.00 0.00 C ATOM 1083 OG1 THR A 71 8.704 1.768 -12.295 1.00 0.00 O ATOM 1084 CG2 THR A 71 10.441 1.512 -10.624 1.00 0.00 C ATOM 0 H THR A 71 9.518 -0.450 -12.816 1.00 0.00 H new ATOM 0 HA THR A 71 9.166 -0.760 -10.120 1.00 0.00 H new ATOM 0 HB THR A 71 8.354 1.721 -10.242 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.813 1.482 -12.587 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.633 2.583 -10.690 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.634 1.171 -9.607 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.097 0.983 -11.315 1.00 0.00 H new ATOM 1092 N GLU A 72 6.222 -0.374 -11.637 1.00 0.00 N ATOM 1093 CA GLU A 72 4.748 -0.497 -11.479 1.00 0.00 C ATOM 1094 C GLU A 72 4.348 -1.699 -10.592 1.00 0.00 C ATOM 1095 O GLU A 72 3.566 -1.552 -9.644 1.00 0.00 O ATOM 1096 CB GLU A 72 4.012 -0.602 -12.860 1.00 0.00 C ATOM 1097 CG GLU A 72 4.064 0.655 -13.772 1.00 0.00 C ATOM 1098 CD GLU A 72 5.404 0.865 -14.500 1.00 0.00 C ATOM 1099 OE1 GLU A 72 6.340 1.448 -13.912 1.00 0.00 O ATOM 1100 OE2 GLU A 72 5.529 0.438 -15.671 1.00 0.00 O ATOM 0 H GLU A 72 6.517 -0.239 -12.604 1.00 0.00 H new ATOM 0 HA GLU A 72 4.431 0.420 -10.982 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.438 -1.441 -13.411 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.966 -0.843 -12.671 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.270 0.581 -14.515 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.853 1.536 -13.166 1.00 0.00 H new ATOM 1107 N GLN A 73 4.965 -2.855 -10.881 1.00 0.00 N ATOM 1108 CA GLN A 73 4.620 -4.158 -10.271 1.00 0.00 C ATOM 1109 C GLN A 73 4.739 -4.155 -8.722 1.00 0.00 C ATOM 1110 O GLN A 73 4.055 -4.934 -8.052 1.00 0.00 O ATOM 1111 CB GLN A 73 5.504 -5.272 -10.918 1.00 0.00 C ATOM 1112 CG GLN A 73 4.989 -6.738 -10.760 1.00 0.00 C ATOM 1113 CD GLN A 73 5.756 -7.577 -9.736 1.00 0.00 C ATOM 1114 OE1 GLN A 73 5.404 -7.627 -8.567 1.00 0.00 O ATOM 1115 NE2 GLN A 73 6.839 -8.208 -10.169 1.00 0.00 N ATOM 0 H GLN A 73 5.729 -2.917 -11.554 1.00 0.00 H new ATOM 0 HA GLN A 73 3.569 -4.362 -10.476 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.603 -5.056 -11.982 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.503 -5.211 -10.486 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.938 -6.711 -10.473 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.042 -7.234 -11.729 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.106 -8.147 -11.151 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.405 -8.755 -9.520 1.00 0.00 H new ATOM 1124 N TYR A 74 5.600 -3.282 -8.157 1.00 0.00 N ATOM 1125 CA TYR A 74 5.748 -3.145 -6.682 1.00 0.00 C ATOM 1126 C TYR A 74 5.369 -1.739 -6.169 1.00 0.00 C ATOM 1127 O TYR A 74 5.053 -1.583 -4.982 1.00 0.00 O ATOM 1128 CB TYR A 74 7.208 -3.476 -6.264 1.00 0.00 C ATOM 1129 CG TYR A 74 7.626 -4.928 -6.553 1.00 0.00 C ATOM 1130 CD1 TYR A 74 7.061 -5.988 -5.840 1.00 0.00 C ATOM 1131 CD2 TYR A 74 8.582 -5.235 -7.527 1.00 0.00 C ATOM 1132 CE1 TYR A 74 7.430 -7.296 -6.086 1.00 0.00 C ATOM 1133 CE2 TYR A 74 8.950 -6.546 -7.775 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.374 -7.569 -7.053 1.00 0.00 C ATOM 1135 OH TYR A 74 8.730 -8.871 -7.305 1.00 0.00 O ATOM 0 H TYR A 74 6.205 -2.660 -8.694 1.00 0.00 H new ATOM 0 HA TYR A 74 5.054 -3.852 -6.227 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.887 -2.802 -6.787 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.323 -3.281 -5.198 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.321 -5.781 -5.081 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.040 -4.438 -8.094 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.981 -8.101 -5.523 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.687 -6.767 -8.533 1.00 0.00 H new ATOM 0 HH TYR A 74 9.406 -8.894 -8.014 1.00 0.00 H new ATOM 1145 N PHE A 75 5.390 -0.722 -7.054 1.00 0.00 N ATOM 1146 CA PHE A 75 5.327 0.709 -6.652 1.00 0.00 C ATOM 1147 C PHE A 75 4.083 1.419 -7.243 1.00 0.00 C ATOM 1148 O PHE A 75 4.048 2.647 -7.333 1.00 0.00 O ATOM 1149 CB PHE A 75 6.646 1.432 -7.071 1.00 0.00 C ATOM 1150 CG PHE A 75 7.919 0.857 -6.423 1.00 0.00 C ATOM 1151 CD1 PHE A 75 8.277 1.210 -5.125 1.00 0.00 C ATOM 1152 CD2 PHE A 75 8.759 -0.029 -7.111 1.00 0.00 C ATOM 1153 CE1 PHE A 75 9.421 0.697 -4.535 1.00 0.00 C ATOM 1154 CE2 PHE A 75 9.902 -0.541 -6.518 1.00 0.00 C ATOM 1155 CZ PHE A 75 10.234 -0.175 -5.232 1.00 0.00 C ATOM 0 H PHE A 75 5.451 -0.862 -8.063 1.00 0.00 H new ATOM 0 HA PHE A 75 5.228 0.757 -5.568 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.748 1.377 -8.155 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.566 2.488 -6.812 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.653 1.894 -4.569 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.511 -0.318 -8.122 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.678 0.980 -3.525 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.533 -1.227 -7.064 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.127 -0.569 -4.770 1.00 0.00 H new ATOM 1165 N VAL A 76 3.062 0.632 -7.628 1.00 0.00 N ATOM 1166 CA VAL A 76 1.693 1.140 -7.873 1.00 0.00 C ATOM 1167 C VAL A 76 0.850 0.758 -6.656 1.00 0.00 C ATOM 1168 O VAL A 76 0.988 -0.343 -6.159 1.00 0.00 O ATOM 1169 CB VAL A 76 1.050 0.569 -9.200 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.481 0.793 -9.268 1.00 0.00 C ATOM 1171 CG2 VAL A 76 1.712 1.188 -10.447 1.00 0.00 C ATOM 0 H VAL A 76 3.159 -0.372 -7.779 1.00 0.00 H new ATOM 0 HA VAL A 76 1.731 2.221 -8.011 1.00 0.00 H new ATOM 0 HB VAL A 76 1.231 -0.506 -9.184 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.868 0.381 -10.200 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.959 0.295 -8.425 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.695 1.861 -9.227 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.251 0.778 -11.345 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.577 2.270 -10.431 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.777 0.955 -10.447 1.00 0.00 H new ATOM 1181 N LEU A 77 -0.023 1.669 -6.223 1.00 0.00 N ATOM 1182 CA LEU A 77 -0.759 1.602 -4.940 1.00 0.00 C ATOM 1183 C LEU A 77 -1.546 0.292 -4.727 1.00 0.00 C ATOM 1184 O LEU A 77 -1.612 -0.192 -3.605 1.00 0.00 O ATOM 1185 CB LEU A 77 -1.690 2.854 -4.809 1.00 0.00 C ATOM 1186 CG LEU A 77 -1.104 4.054 -4.003 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -0.989 3.704 -2.502 1.00 0.00 C ATOM 1188 CD2 LEU A 77 0.247 4.530 -4.584 1.00 0.00 C ATOM 0 H LEU A 77 -0.251 2.503 -6.765 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.012 1.607 -4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.942 3.202 -5.811 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.621 2.543 -4.336 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.799 4.888 -4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.578 4.556 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.977 3.465 -2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.331 2.844 -2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.622 5.367 -3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.966 3.712 -4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.107 4.848 -5.617 1.00 0.00 H new ATOM 1200 N LYS A 78 -2.139 -0.255 -5.798 1.00 0.00 N ATOM 1201 CA LYS A 78 -2.899 -1.531 -5.730 1.00 0.00 C ATOM 1202 C LYS A 78 -1.954 -2.737 -5.544 1.00 0.00 C ATOM 1203 O LYS A 78 -2.285 -3.675 -4.818 1.00 0.00 O ATOM 1204 CB LYS A 78 -3.783 -1.715 -6.996 1.00 0.00 C ATOM 1205 CG LYS A 78 -2.996 -1.747 -8.325 1.00 0.00 C ATOM 1206 CD LYS A 78 -3.895 -1.720 -9.576 1.00 0.00 C ATOM 1207 CE LYS A 78 -3.079 -1.625 -10.880 1.00 0.00 C ATOM 1208 NZ LYS A 78 -3.956 -1.556 -12.072 1.00 0.00 N ATOM 0 H LYS A 78 -2.112 0.161 -6.729 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.553 -1.482 -4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.346 -2.643 -6.899 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.510 -0.904 -7.038 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.318 -0.894 -8.357 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.379 -2.645 -8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.509 -2.620 -9.599 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.576 -0.871 -9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.441 -0.742 -10.846 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.422 -2.491 -10.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.371 -1.493 -12.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.547 -2.410 -12.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.566 -0.716 -12.006 1.00 0.00 H new ATOM 1222 N ASN A 79 -0.780 -2.681 -6.196 1.00 0.00 N ATOM 1223 CA ASN A 79 0.225 -3.766 -6.172 1.00 0.00 C ATOM 1224 C ASN A 79 1.032 -3.721 -4.870 1.00 0.00 C ATOM 1225 O ASN A 79 1.427 -4.755 -4.339 1.00 0.00 O ATOM 1226 CB ASN A 79 1.181 -3.660 -7.387 1.00 0.00 C ATOM 1227 CG ASN A 79 0.472 -3.693 -8.742 1.00 0.00 C ATOM 1228 OD1 ASN A 79 -0.641 -4.200 -8.873 1.00 0.00 O ATOM 1229 ND2 ASN A 79 1.126 -3.189 -9.769 1.00 0.00 N ATOM 0 H ASN A 79 -0.497 -1.879 -6.759 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.306 -4.716 -6.228 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.750 -2.734 -7.309 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.899 -4.479 -7.344 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.710 -3.214 -10.700 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.048 -2.774 -9.633 1.00 0.00 H new ATOM 1236 N LEU A 80 1.274 -2.494 -4.393 1.00 0.00 N ATOM 1237 CA LEU A 80 1.913 -2.215 -3.110 1.00 0.00 C ATOM 1238 C LEU A 80 1.008 -2.745 -1.992 1.00 0.00 C ATOM 1239 O LEU A 80 1.439 -3.549 -1.178 1.00 0.00 O ATOM 1240 CB LEU A 80 2.148 -0.684 -2.946 1.00 0.00 C ATOM 1241 CG LEU A 80 2.813 -0.221 -1.605 1.00 0.00 C ATOM 1242 CD1 LEU A 80 4.247 -0.781 -1.455 1.00 0.00 C ATOM 1243 CD2 LEU A 80 2.781 1.323 -1.462 1.00 0.00 C ATOM 0 H LEU A 80 1.023 -1.649 -4.905 1.00 0.00 H new ATOM 0 HA LEU A 80 2.884 -2.709 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.772 -0.344 -3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.187 -0.179 -3.043 1.00 0.00 H new ATOM 0 HG LEU A 80 2.222 -0.635 -0.788 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.675 -0.438 -0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.215 -1.870 -1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.863 -0.430 -2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.250 1.611 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.323 1.777 -2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.747 1.668 -1.473 1.00 0.00 H new ATOM 1255 N ALA A 81 -0.275 -2.328 -2.035 1.00 0.00 N ATOM 1256 CA ALA A 81 -1.303 -2.750 -1.061 1.00 0.00 C ATOM 1257 C ALA A 81 -1.560 -4.256 -1.134 1.00 0.00 C ATOM 1258 O ALA A 81 -1.952 -4.862 -0.142 1.00 0.00 O ATOM 1259 CB ALA A 81 -2.610 -1.982 -1.283 1.00 0.00 C ATOM 0 H ALA A 81 -0.627 -1.688 -2.747 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.923 -2.519 -0.066 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.352 -2.309 -0.555 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.429 -0.914 -1.162 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.980 -2.176 -2.290 1.00 0.00 H new ATOM 1265 N ALA A 82 -1.343 -4.842 -2.325 1.00 0.00 N ATOM 1266 CA ALA A 82 -1.424 -6.292 -2.526 1.00 0.00 C ATOM 1267 C ALA A 82 -0.308 -6.987 -1.739 1.00 0.00 C ATOM 1268 O ALA A 82 -0.593 -7.843 -0.918 1.00 0.00 O ATOM 1269 CB ALA A 82 -1.340 -6.645 -4.015 1.00 0.00 C ATOM 0 H ALA A 82 -1.108 -4.322 -3.170 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.388 -6.643 -2.157 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.402 -7.726 -4.137 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.164 -6.172 -4.548 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.393 -6.288 -4.421 1.00 0.00 H new ATOM 1275 N ARG A 83 0.950 -6.550 -1.978 1.00 0.00 N ATOM 1276 CA ARG A 83 2.157 -7.061 -1.277 1.00 0.00 C ATOM 1277 C ARG A 83 1.963 -7.038 0.248 1.00 0.00 C ATOM 1278 O ARG A 83 2.141 -8.048 0.922 1.00 0.00 O ATOM 1279 CB ARG A 83 3.392 -6.198 -1.646 1.00 0.00 C ATOM 1280 CG ARG A 83 3.899 -6.313 -3.104 1.00 0.00 C ATOM 1281 CD ARG A 83 4.682 -7.615 -3.387 1.00 0.00 C ATOM 1282 NE ARG A 83 3.836 -8.818 -3.486 1.00 0.00 N ATOM 1283 CZ ARG A 83 4.251 -10.003 -3.958 1.00 0.00 C ATOM 1284 NH1 ARG A 83 5.486 -10.151 -4.428 1.00 0.00 N ATOM 1285 NH2 ARG A 83 3.425 -11.030 -3.977 1.00 0.00 N ATOM 0 H ARG A 83 1.160 -5.828 -2.667 1.00 0.00 H new ATOM 0 HA ARG A 83 2.317 -8.091 -1.595 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.150 -5.153 -1.449 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.210 -6.467 -0.977 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.047 -6.257 -3.781 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.539 -5.459 -3.326 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.237 -7.497 -4.318 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.416 -7.764 -2.595 1.00 0.00 H new ATOM 0 HE ARG A 83 2.868 -8.744 -3.174 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.128 -9.359 -4.432 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.791 -11.057 -4.784 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.471 -10.923 -3.633 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.740 -11.931 -4.336 1.00 0.00 H new ATOM 1299 N ILE A 84 1.522 -5.872 0.737 1.00 0.00 N ATOM 1300 CA ILE A 84 1.295 -5.600 2.163 1.00 0.00 C ATOM 1301 C ILE A 84 0.218 -6.553 2.720 1.00 0.00 C ATOM 1302 O ILE A 84 0.443 -7.208 3.730 1.00 0.00 O ATOM 1303 CB ILE A 84 0.861 -4.097 2.344 1.00 0.00 C ATOM 1304 CG1 ILE A 84 1.986 -3.138 1.829 1.00 0.00 C ATOM 1305 CG2 ILE A 84 0.472 -3.766 3.807 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.542 -1.707 1.602 1.00 0.00 C ATOM 0 H ILE A 84 1.308 -5.074 0.139 1.00 0.00 H new ATOM 0 HA ILE A 84 2.217 -5.770 2.719 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.034 -3.943 1.742 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.805 -3.140 2.549 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.382 -3.534 0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.181 -2.718 3.878 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.363 -4.396 4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.324 -3.951 4.461 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.386 -1.116 1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.746 -1.687 0.858 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.174 -1.287 2.538 1.00 0.00 H new ATOM 1318 N ASP A 85 -0.910 -6.663 1.996 1.00 0.00 N ATOM 1319 CA ASP A 85 -2.080 -7.482 2.404 1.00 0.00 C ATOM 1320 C ASP A 85 -1.728 -8.988 2.467 1.00 0.00 C ATOM 1321 O ASP A 85 -2.171 -9.700 3.372 1.00 0.00 O ATOM 1322 CB ASP A 85 -3.252 -7.249 1.416 1.00 0.00 C ATOM 1323 CG ASP A 85 -4.540 -8.007 1.792 1.00 0.00 C ATOM 1324 OD1 ASP A 85 -5.276 -7.547 2.690 1.00 0.00 O ATOM 1325 OD2 ASP A 85 -4.821 -9.070 1.192 1.00 0.00 O ATOM 0 H ASP A 85 -1.043 -6.185 1.105 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.378 -7.170 3.405 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.470 -6.182 1.370 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.940 -7.554 0.417 1.00 0.00 H new ATOM 1330 N GLU A 86 -0.925 -9.446 1.489 1.00 0.00 N ATOM 1331 CA GLU A 86 -0.416 -10.833 1.418 1.00 0.00 C ATOM 1332 C GLU A 86 0.464 -11.129 2.642 1.00 0.00 C ATOM 1333 O GLU A 86 0.389 -12.213 3.224 1.00 0.00 O ATOM 1334 CB GLU A 86 0.388 -11.050 0.105 1.00 0.00 C ATOM 1335 CG GLU A 86 -0.444 -10.927 -1.180 1.00 0.00 C ATOM 1336 CD GLU A 86 0.416 -10.957 -2.454 1.00 0.00 C ATOM 1337 OE1 GLU A 86 0.892 -9.889 -2.894 1.00 0.00 O ATOM 1338 OE2 GLU A 86 0.639 -12.049 -3.013 1.00 0.00 O ATOM 0 H GLU A 86 -0.607 -8.860 0.717 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.262 -11.520 1.418 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.200 -10.324 0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.845 -12.039 0.133 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -1.168 -11.741 -1.217 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -1.011 -9.997 -1.152 1.00 0.00 H new ATOM 1345 N LEU A 87 1.284 -10.139 3.023 1.00 0.00 N ATOM 1346 CA LEU A 87 2.159 -10.224 4.200 1.00 0.00 C ATOM 1347 C LEU A 87 1.360 -10.120 5.518 1.00 0.00 C ATOM 1348 O LEU A 87 1.792 -10.667 6.532 1.00 0.00 O ATOM 1349 CB LEU A 87 3.255 -9.133 4.124 1.00 0.00 C ATOM 1350 CG LEU A 87 4.220 -9.255 2.902 1.00 0.00 C ATOM 1351 CD1 LEU A 87 5.182 -8.056 2.807 1.00 0.00 C ATOM 1352 CD2 LEU A 87 4.981 -10.597 2.930 1.00 0.00 C ATOM 0 H LEU A 87 1.359 -9.254 2.521 1.00 0.00 H new ATOM 0 HA LEU A 87 2.637 -11.204 4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.773 -8.156 4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.845 -9.167 5.040 1.00 0.00 H new ATOM 0 HG LEU A 87 3.609 -9.239 1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.835 -8.181 1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.607 -7.136 2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.785 -8.001 3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.646 -10.656 2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.568 -10.664 3.846 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.268 -11.421 2.895 1.00 0.00 H new ATOM 1364 N VAL A 88 0.204 -9.410 5.494 1.00 0.00 N ATOM 1365 CA VAL A 88 -0.738 -9.344 6.643 1.00 0.00 C ATOM 1366 C VAL A 88 -1.389 -10.721 6.863 1.00 0.00 C ATOM 1367 O VAL A 88 -1.596 -11.144 8.001 1.00 0.00 O ATOM 1368 CB VAL A 88 -1.842 -8.225 6.448 1.00 0.00 C ATOM 1369 CG1 VAL A 88 -2.902 -8.244 7.575 1.00 0.00 C ATOM 1370 CG2 VAL A 88 -1.195 -6.829 6.351 1.00 0.00 C ATOM 0 H VAL A 88 -0.101 -8.870 4.684 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.165 -9.070 7.529 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.354 -8.447 5.512 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -3.637 -7.459 7.397 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -3.402 -9.213 7.588 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.415 -8.074 8.535 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.972 -6.076 6.217 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.641 -6.620 7.266 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.514 -6.802 5.501 1.00 0.00 H new ATOM 1380 N ALA A 89 -1.687 -11.407 5.754 1.00 0.00 N ATOM 1381 CA ALA A 89 -2.206 -12.788 5.768 1.00 0.00 C ATOM 1382 C ALA A 89 -1.122 -13.774 6.256 1.00 0.00 C ATOM 1383 O ALA A 89 -1.411 -14.712 7.010 1.00 0.00 O ATOM 1384 CB ALA A 89 -2.719 -13.174 4.373 1.00 0.00 C ATOM 0 H ALA A 89 -1.576 -11.023 4.816 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.041 -12.842 6.467 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.100 -14.195 4.395 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.519 -12.495 4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.903 -13.106 3.654 1.00 0.00 H new ATOM 1390 N ALA A 90 0.134 -13.526 5.834 1.00 0.00 N ATOM 1391 CA ALA A 90 1.291 -14.374 6.178 1.00 0.00 C ATOM 1392 C ALA A 90 1.638 -14.265 7.676 1.00 0.00 C ATOM 1393 O ALA A 90 1.959 -15.273 8.319 1.00 0.00 O ATOM 1394 CB ALA A 90 2.497 -13.991 5.308 1.00 0.00 C ATOM 0 H ALA A 90 0.374 -12.730 5.244 1.00 0.00 H new ATOM 0 HA ALA A 90 1.028 -15.413 5.978 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.348 -14.621 5.568 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.247 -14.134 4.257 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.753 -12.946 5.481 1.00 0.00 H new ATOM 1400 N LYS A 91 1.530 -13.040 8.230 1.00 0.00 N ATOM 1401 CA LYS A 91 1.782 -12.788 9.668 1.00 0.00 C ATOM 1402 C LYS A 91 0.513 -13.126 10.463 1.00 0.00 C ATOM 1403 O LYS A 91 0.570 -13.411 11.666 1.00 0.00 O ATOM 1404 CB LYS A 91 2.237 -11.306 9.901 1.00 0.00 C ATOM 1405 CG LYS A 91 1.167 -10.196 9.647 1.00 0.00 C ATOM 1406 CD LYS A 91 0.305 -9.805 10.876 1.00 0.00 C ATOM 1407 CE LYS A 91 1.130 -9.165 11.999 1.00 0.00 C ATOM 1408 NZ LYS A 91 0.311 -8.883 13.194 1.00 0.00 N ATOM 0 H LYS A 91 1.269 -12.206 7.703 1.00 0.00 H new ATOM 0 HA LYS A 91 2.594 -13.426 10.017 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.585 -11.214 10.930 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.093 -11.107 9.256 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.675 -9.303 9.283 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.502 -10.532 8.851 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.474 -9.110 10.562 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.196 -10.693 11.260 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.950 -9.829 12.270 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.576 -8.238 11.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.907 -8.451 13.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.457 -8.229 12.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.094 -9.770 13.554 1.00 0.00 H new ATOM 1422 N GLY A 92 -0.631 -13.116 9.742 1.00 0.00 N ATOM 1423 CA GLY A 92 -1.938 -13.467 10.290 1.00 0.00 C ATOM 1424 C GLY A 92 -2.125 -14.973 10.469 1.00 0.00 C ATOM 1425 O GLY A 92 -3.238 -15.437 10.730 1.00 0.00 O ATOM 0 H GLY A 92 -0.661 -12.860 8.755 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.066 -12.973 11.253 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.717 -13.086 9.630 1.00 0.00 H new ATOM 1429 N ALA A 93 -1.036 -15.747 10.282 1.00 0.00 N ATOM 1430 CA ALA A 93 -0.977 -17.168 10.661 1.00 0.00 C ATOM 1431 C ALA A 93 -1.270 -17.362 12.176 1.00 0.00 C ATOM 1432 O ALA A 93 -1.650 -18.452 12.609 1.00 0.00 O ATOM 1433 CB ALA A 93 0.398 -17.744 10.288 1.00 0.00 C ATOM 0 H ALA A 93 -0.173 -15.401 9.863 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.749 -17.708 10.112 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.440 -18.796 10.569 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.553 -17.649 9.213 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.178 -17.196 10.817 1.00 0.00 H new ATOM 1439 N LEU A 94 -1.080 -16.274 12.964 1.00 0.00 N ATOM 1440 CA LEU A 94 -1.479 -16.194 14.386 1.00 0.00 C ATOM 1441 C LEU A 94 -3.025 -16.023 14.520 1.00 0.00 C ATOM 1442 O LEU A 94 -3.763 -16.171 13.539 1.00 0.00 O ATOM 1443 CB LEU A 94 -0.705 -15.029 15.100 1.00 0.00 C ATOM 1444 CG LEU A 94 0.829 -15.254 15.401 1.00 0.00 C ATOM 1445 CD1 LEU A 94 1.672 -15.425 14.116 1.00 0.00 C ATOM 1446 CD2 LEU A 94 1.392 -14.110 16.284 1.00 0.00 C ATOM 0 H LEU A 94 -0.640 -15.419 12.623 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.212 -17.129 14.879 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.800 -14.134 14.484 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.207 -14.820 16.045 1.00 0.00 H new ATOM 0 HG LEU A 94 0.906 -16.191 15.952 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.718 -15.576 14.384 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.312 -16.289 13.557 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.581 -14.531 13.500 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.450 -14.287 16.478 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.272 -13.158 15.766 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.850 -14.080 17.229 1.00 0.00 H new ATOM 1458 N GLU A 95 -3.494 -15.720 15.748 1.00 0.00 N ATOM 1459 CA GLU A 95 -4.935 -15.665 16.086 1.00 0.00 C ATOM 1460 C GLU A 95 -5.702 -14.611 15.248 1.00 0.00 C ATOM 1461 O GLU A 95 -5.373 -13.414 15.277 1.00 0.00 O ATOM 1462 CB GLU A 95 -5.114 -15.365 17.601 1.00 0.00 C ATOM 1463 CG GLU A 95 -4.456 -16.393 18.548 1.00 0.00 C ATOM 1464 CD GLU A 95 -5.047 -17.809 18.419 1.00 0.00 C ATOM 1465 OE1 GLU A 95 -6.185 -18.035 18.891 1.00 0.00 O ATOM 1466 OE2 GLU A 95 -4.379 -18.708 17.853 1.00 0.00 O ATOM 0 H GLU A 95 -2.884 -15.506 16.537 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.358 -16.640 15.846 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.699 -14.379 17.813 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.180 -15.317 17.824 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.386 -16.434 18.342 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.569 -16.052 19.577 1.00 0.00 H new ATOM 1473 N HIS A 96 -6.714 -15.086 14.490 1.00 0.00 N ATOM 1474 CA HIS A 96 -7.645 -14.220 13.729 1.00 0.00 C ATOM 1475 C HIS A 96 -8.658 -13.555 14.678 1.00 0.00 C ATOM 1476 O HIS A 96 -8.827 -13.999 15.830 1.00 0.00 O ATOM 1477 CB HIS A 96 -8.387 -15.037 12.635 1.00 0.00 C ATOM 1478 CG HIS A 96 -7.511 -15.562 11.533 1.00 0.00 C ATOM 1479 ND1 HIS A 96 -7.922 -16.532 10.642 1.00 0.00 N ATOM 1480 CD2 HIS A 96 -6.261 -15.220 11.154 1.00 0.00 C ATOM 1481 CE1 HIS A 96 -6.961 -16.763 9.772 1.00 0.00 C ATOM 1482 NE2 HIS A 96 -5.946 -15.979 10.060 1.00 0.00 N ATOM 0 H HIS A 96 -6.910 -16.082 14.387 1.00 0.00 H new ATOM 0 HA HIS A 96 -7.062 -13.440 13.239 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -8.891 -15.878 13.110 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -9.161 -14.408 12.195 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -5.627 -14.484 11.627 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -7.000 -17.475 8.961 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -5.064 -15.942 9.549 1.00 0.00 H new ATOM 1491 N HIS A 97 -9.331 -12.502 14.164 1.00 0.00 N ATOM 1492 CA HIS A 97 -10.225 -11.621 14.939 1.00 0.00 C ATOM 1493 C HIS A 97 -9.432 -11.009 16.113 1.00 0.00 C ATOM 1494 O HIS A 97 -9.792 -11.154 17.291 1.00 0.00 O ATOM 1495 CB HIS A 97 -11.510 -12.379 15.391 1.00 0.00 C ATOM 1496 CG HIS A 97 -12.585 -11.504 15.984 1.00 0.00 C ATOM 1497 ND1 HIS A 97 -12.790 -11.385 17.343 1.00 0.00 N ATOM 1498 CD2 HIS A 97 -13.533 -10.730 15.399 1.00 0.00 C ATOM 1499 CE1 HIS A 97 -13.813 -10.583 17.563 1.00 0.00 C ATOM 1500 NE2 HIS A 97 -14.277 -10.170 16.401 1.00 0.00 N ATOM 0 H HIS A 97 -9.265 -12.238 13.181 1.00 0.00 H new ATOM 0 HA HIS A 97 -10.578 -10.802 14.312 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -11.924 -12.907 14.532 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -11.230 -13.134 16.125 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -13.674 -10.583 14.338 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -14.205 -10.311 18.532 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -15.064 -9.535 16.270 1.00 0.00 H new ATOM 1509 N HIS A 98 -8.283 -10.405 15.740 1.00 0.00 N ATOM 1510 CA HIS A 98 -7.336 -9.774 16.677 1.00 0.00 C ATOM 1511 C HIS A 98 -8.065 -8.680 17.482 1.00 0.00 C ATOM 1512 O HIS A 98 -8.566 -7.715 16.883 1.00 0.00 O ATOM 1513 CB HIS A 98 -6.136 -9.201 15.884 1.00 0.00 C ATOM 1514 CG HIS A 98 -4.997 -8.688 16.730 1.00 0.00 C ATOM 1515 ND1 HIS A 98 -4.611 -7.364 16.757 1.00 0.00 N ATOM 1516 CD2 HIS A 98 -4.133 -9.344 17.546 1.00 0.00 C ATOM 1517 CE1 HIS A 98 -3.563 -7.228 17.546 1.00 0.00 C ATOM 1518 NE2 HIS A 98 -3.252 -8.412 18.029 1.00 0.00 N ATOM 0 H HIS A 98 -7.986 -10.343 14.766 1.00 0.00 H new ATOM 0 HA HIS A 98 -6.952 -10.510 17.383 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.755 -9.977 15.221 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -6.493 -8.388 15.251 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -4.139 -10.400 17.772 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -3.048 -6.303 17.759 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -2.477 -8.606 18.663 1.00 0.00 H new ATOM 1527 N HIS A 99 -8.130 -8.874 18.822 1.00 0.00 N ATOM 1528 CA HIS A 99 -9.038 -8.127 19.721 1.00 0.00 C ATOM 1529 C HIS A 99 -8.842 -6.597 19.614 1.00 0.00 C ATOM 1530 O HIS A 99 -7.985 -6.013 20.298 1.00 0.00 O ATOM 1531 CB HIS A 99 -8.886 -8.615 21.185 1.00 0.00 C ATOM 1532 CG HIS A 99 -9.948 -8.082 22.128 1.00 0.00 C ATOM 1533 ND1 HIS A 99 -11.065 -8.806 22.496 1.00 0.00 N ATOM 1534 CD2 HIS A 99 -10.075 -6.883 22.744 1.00 0.00 C ATOM 1535 CE1 HIS A 99 -11.826 -8.073 23.288 1.00 0.00 C ATOM 1536 NE2 HIS A 99 -11.251 -6.904 23.457 1.00 0.00 N ATOM 0 H HIS A 99 -7.550 -9.557 19.310 1.00 0.00 H new ATOM 0 HA HIS A 99 -10.058 -8.334 19.396 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.917 -9.704 21.199 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.905 -8.319 21.555 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.379 -6.059 22.686 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -12.764 -8.383 23.724 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -11.616 -6.138 24.023 1.00 0.00 H new ATOM 1545 N HIS A 100 -9.658 -5.998 18.727 1.00 0.00 N ATOM 1546 CA HIS A 100 -9.664 -4.567 18.401 1.00 0.00 C ATOM 1547 C HIS A 100 -10.683 -4.316 17.266 1.00 0.00 C ATOM 1548 O HIS A 100 -11.310 -3.249 17.197 1.00 0.00 O ATOM 1549 CB HIS A 100 -8.251 -4.077 17.962 1.00 0.00 C ATOM 1550 CG HIS A 100 -8.131 -2.584 17.841 1.00 0.00 C ATOM 1551 ND1 HIS A 100 -7.508 -1.953 16.790 1.00 0.00 N ATOM 1552 CD2 HIS A 100 -8.519 -1.597 18.689 1.00 0.00 C ATOM 1553 CE1 HIS A 100 -7.524 -0.650 16.990 1.00 0.00 C ATOM 1554 NE2 HIS A 100 -8.129 -0.409 18.132 1.00 0.00 N ATOM 0 H HIS A 100 -10.357 -6.521 18.199 1.00 0.00 H new ATOM 0 HA HIS A 100 -9.946 -4.007 19.293 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -7.514 -4.433 18.682 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -8.003 -4.530 17.002 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -9.038 -1.725 19.627 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -7.109 0.095 16.327 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -8.283 0.514 18.538 1.00 0.00 H new ATOM 1563 N HIS A 101 -10.810 -5.311 16.365 1.00 0.00 N ATOM 1564 CA HIS A 101 -11.718 -5.255 15.202 1.00 0.00 C ATOM 1565 C HIS A 101 -13.072 -5.932 15.546 1.00 0.00 C ATOM 1566 O HIS A 101 -14.049 -5.212 15.832 1.00 0.00 O ATOM 1567 CB HIS A 101 -11.038 -5.913 13.966 1.00 0.00 C ATOM 1568 CG HIS A 101 -11.875 -5.850 12.712 1.00 0.00 C ATOM 1569 ND1 HIS A 101 -11.999 -4.704 11.959 1.00 0.00 N ATOM 1570 CD2 HIS A 101 -12.644 -6.780 12.097 1.00 0.00 C ATOM 1571 CE1 HIS A 101 -12.808 -4.933 10.944 1.00 0.00 C ATOM 1572 NE2 HIS A 101 -13.211 -6.186 11.002 1.00 0.00 N ATOM 1573 OXT HIS A 101 -13.147 -7.182 15.559 1.00 0.00 O ATOM 0 H HIS A 101 -10.282 -6.182 16.425 1.00 0.00 H new ATOM 0 HA HIS A 101 -11.926 -4.215 14.952 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.084 -5.420 13.781 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.819 -6.956 14.195 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -12.784 -7.803 12.413 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -13.093 -4.214 10.191 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -13.841 -6.639 10.340 1.00 0.00 H new TER 1582 HIS A 101